MAJOR DUPLEX

{C1}
assign (residue 1 and name H1') (residue 1 and name H5)     6.00  2.00  1.00
assign (residue 1 and name H1') (residue 1 and name H6)     3.80  2.00  0.70
assign (residue 1 and name H1') (residue 2 and name H1')    6.00  2.00  1.00
assign (residue 1 and name H1') (residue 2 and name H3')    6.00  2.00  1.00
assign (residue 1 and name H1') (residue 2 and name H4')    5.00  2.00  1.00
assign (residue 1 and name H1') (residue 2 and name H5')    3.80  2.00  0.70 
assign (residue 1 and name H1') (residue 2 and name H8)     3.80  2.00  0.70 
assign (residue 1 and name H2') (residue 1 and name H6)     2.50  0.70  0.50
assign (residue 1 and name H2') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 1 and name H2'') (residue 1 and name H6)    3.80  2.00  0.70
assign (residue 1 and name H2'') (residue 2 and name H8)    2.50  0.70  0.50
assign (residue 1 and name H3') (residue 1 and name H6)     3.80  2.00  0.70 
assign (residue 1 and name H4') (residue 1 and name H6)     5.00  2.00  1.00
assign (residue 1 and name H4') (residue 2 and name H8)     6.00  2.00  1.00
assign (residue 1 and name H5) (residue 1 and name H5')     6.00  2.00  1.00
assign (residue 1 and name H5) (residue 2 and name H8)      6.00  2.00  1.00 
assign (residue 1 and name H5') (residue 1 and name H6)     3.80  2.00  0.70
assign (residue 1 and name H6) (residue 2 and name H8)      5.00  2.00  1.00
assign (residue 1 and name H41) (residue 2 and name H1)     5.00  2.00  1.00
assign (residue 1 and name H41) (residue 27 and name H41)   3.80  2.00  0.70
assign (residue 1 and name H41) (residue 28 and name H1)    3.80  2.00  0.70
assign (residue 1 and name H42) (residue 2 and name H1)     6.00  2.00  1.00 
assign (residue 1 and name H42) (residue 28 and name H1)    5.00  2.00  1.00
assign (residue 1 and name H5) (residue 28 and name H1)     6.00  2.00  1.00

{G2}
assign (residue 2 and name H1') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 2 and name H1') (residue 3 and name H51)    3.80  2.00  0.70
assign (residue 2 and name H1') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 2 and name H2') (residue 2 and name H8)     2.50  0.70  0.50
assign (residue 2 and name H2') (residue 3 and name H51)    3.80  2.00  0.70
assign (residue 2 and name H2') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 2 and name H2'') (residue 2 and name H8)    3.80  2.00  0.70
assign (residue 2 and name H2'') (residue 3 and name H51)   3.80  2.00  0.70
assign (residue 2 and name H2'') (residue 3 and name H6)    3.80  2.00  0.70 
assign (residue 2 and name H3') (residue 2 and name H8)     5.00  2.00  1.00
assign (residue 2 and name H3') (residue 3 and name H51)    5.00  2.00  1.00
assign (residue 2 and name H3') (residue 3 and name H6)     6.00  2.00  1.00
assign (residue 2 and name H4') (residue 2 and name H8)     5.00  2.00  1.00 
assign (residue 2 and name H4') (residue 3 and name H51)    6.00  2.00  1.00
assign (residue 2 and name H5') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 2 and name H5'') (residue 2 and name H8)    5.00  2.00  1.00
assign (residue 2 and name H8) (residue 3 and name H51)     3.80  2.00  0.70
assign (residue 2 and name H8) (residue 3 and name H6)      5.00  2.00  1.00
assign (residue 2 and name H1) (residue 3 and name H3)      3.80  2.00  0.70 
assign (residue 2 and name H1) (residue 28 and name H1)     3.80  2.00  0.70

{T3} 
assign (residue 3 and name H51) (residue 3 and name H1')    6.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H2')    5.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H2'')   6.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H3')    6.00  2.00  1.00 
assign (residue 3 and name H51) (residue 3 and name H4')    6.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H5')    6.00  2.00  1.00
assign (residue 3 and name H51) (residue 4 and name H5)     5.00  2.00  1.00
assign (residue 3 and name H51) (residue 4 and name H6)     6.00  2.00  1.00
assign (residue 3 and name H1') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H1') (residue 4 and name H5)     3.80  2.00  0.70
assign (residue 3 and name H1') (residue 4 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H1') (residue 26 and name H2)    5.00  2.00  1.00
assign (residue 3 and name H2') (residue 2 and name H1')    5.00  2.00  1.00
assign (residue 3 and name H2') (residue 3 and name H6)     2.50  0.70  0.50
assign (residue 3 and name H2') (residue 4 and name H5)     3.80  2.00  0.70
assign (residue 3 and name H2') (residue 4 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H2'') (residue 3 and name H6)    3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 4 and name H5)    3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 4 and name H6)    3.80  2.00  0.70
assign (residue 3 and name H3') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H4') (residue 3 and name H6)     5.00  2.00  1.00
assign (residue 3 and name H4') (residue 4 and name H6)     6.00  2.00  1.00
assign (residue 3 and name H5') (residue 3 and name H6)     5.00  2.00  1.00
assign (residue 3 and name H6) (residue 4 and name H5)      3.80  2.00  0.70
assign (residue 3 and name H6) (residue 4 and name H6)      5.00  2.00  1.00
assign (residue 3 and name H1') (residue 2 and name H1)      6.00  2.00  1.00
assign (residue 3 and name H5'') (residue 3 and name H6)     5.00  2.00  1.00
{C4}
assign (residue 4 and name H1') (residue 4 and name H5)     6.00  2.00  1.00
assign (residue 4 and name H1') (residue 4 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H1') (residue 5 and name H51)    5.00  2.00  1.00
assign (residue 4 and name H1') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H1') (residue 5 and name H3')    6.00  2.00  1.00
assign (residue 4 and name H2') (residue 4 and name H5)     5.00  2.00  1.00
assign (residue 4 and name H2') (residue 4 and name H6)     2.50  0.70  0.50
assign (residue 4 and name H2') (residue 5 and name H51)    3.80  2.00  0.70
assign (residue 4 and name H2') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H2'') (residue 4 and name H5)    6.00  2.00  1.00
assign (residue 4 and name H2'') (residue 4 and name H6)    3.80  2.00  0.70
assign (residue 4 and name H2'') (residue 5 and name H51)   3.80  2.00  0.70
assign (residue 4 and name H2'') (residue 5 and name H6)    3.80  2.00  0.70
assign (residue 4 and name H4') (residue 4 and name H5)     6.00  2.00  1.00
assign (residue 4 and name H4') (residue 4 and name H6)     5.00  2.00  1.00
assign (residue 4 and name H4') (residue 5 and name H6)     6.00  2.00  1.00
assign (residue 4 and name H5) (residue 3 and name H3')     6.00  2.00  1.00
assign (residue 4 and name H5) (residue 5 and name H51)     5.00  2.00  1.00
assign (residue 4 and name H5'') (residue 4 and name H6)    5.00  2.00  1.00
assign (residue 4 and name H6) (residue 4 and name H3')     3.80  2.00  0.70
assign (residue 4 and name H6) (residue 5 and name H51)     3.80  2.00  0.70
assign (residue 4 and name H6) (residue 3 and name H4')     6.00  2.00  1.00
assign (residue 4 and name H6) (residue 5 and name H6)      6.00  2.00  1.00
assign (residue 4 and name H1') (residue 3 and name H3)      6.00  2.00  1.00 
assign (residue 4 and name H3') (residue 5 and name H6)      3.80  2.00  0.70
assign (residue 4 and name H41) (residue 3 and name H3)      3.80  2.00  0.70
assign (residue 4 and name H41) (residue 26 and name H2)     6.00  2.00  1.00
assign (residue 4 and name H42) (residue 3 and name H3)      5.00  2.00  1.00 
assign (residue 4 and name H5) (residue 3 and name H3)       6.00  2.00  1.00 
assign (residue 4 and name H5) (residue 5 and name H6)       6.00  2.00  1.00

{T5}
assign (residue 5 and name H51) (residue 5 and name H1')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H2')    3.80  2.00  0.70
assign (residue 5 and name H51) (residue 5 and name H2'')   6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H3')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H4')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H5')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H5'')   6.00  2.00  1.00
assign (residue 5 and name H1') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H1') (residue 6 and name H5)     5.00  2.00  1.00
assign (residue 5 and name H1') (residue 6 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H2') (residue 5 and name H6)     2.50  0.70  0.50
assign (residue 5 and name H2') (residue 6 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H2'') (residue 5 and name H6)    3.80  2.00  0.70
assign (residue 5 and name H2'') (residue 6 and name H6)    3.80  2.00  0.70
assign (residue 5 and name H3') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H3') (residue 6 and name H6)     6.00  2.00  1.00
assign (residue 5 and name H4') (residue 5 and name H6)     5.00  2.00  1.00
assign (residue 5 and name H5') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H5'') (residue 5 and name H6)    5.00  2.00  1.00
assign (residue 5 and name H6) (residue 6 and name H5)      3.80  2.00  0.70
assign (residue 5 and name H6) (residue 6 and name H6)      6.00  2.00  1.00
assign (residue 5 and name H3) (residue 23 and name H1)       3.80  2.00  0.70 

{C6}
assign (residue 6 and name H1') (residue 6 and name H5)    6.00  2.00  1.00
assign (residue 6 and name H1') (residue 6 and name H6)    3.80  2.00  0.70
assign (residue 6 and name H1') (residue 7 and name H3')   6.00  2.00  1.00
assign (residue 6 and name H1') (residue 7 and name H8)    3.80  2.00  0.70
assign (residue 6 and name H2') (residue 5 and name H1')   6.00  2.00  1.00
assign (residue 6 and name H2') (residue 6 and name H6)    2.50  0.70  0.50
assign (residue 6 and name H2') (residue 7 and name H8)    3.80  2.00  0.70 
assign (residue 6 and name H2'') (residue 6 and name H6)   3.80  2.00  0.70
assign (residue 6 and name H2'') (residue 7 and name H8)   3.80  2.00  0.70
assign (residue 6 and name H3') (residue 6 and name H6)    3.80  2.00  0.70
assign (residue 6 and name H3') (residue 7 and name H8)    5.00  2.00  1.00
assign (residue 6 and name H4') (residue 6 and name H6)    5.00  2.00  1.00
assign (residue 6 and name H5) (residue 5 and name H3')    6.00  2.00  1.00
assign (residue 6 and name H5) (residue 6 and name H3')    6.00  2.00  1.00
assign (residue 6 and name H5) (residue 7 and name H8)     6.00  2.00  1.00
assign (residue 6 and name H6) (residue 7 and name H8)     6.00  2.00  1.00
assign (residue 6 and name H1') (residue 5 and name H3)      6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 23 and name H1)     6.00  2.00  1.00
assign (residue 6 and name H42) (residue 22 and name H3)     6.00  2.00  1.00
assign (residue 6 and name H42) (residue 23 and name H1)     3.80  2.00  0.70
assign (residue 6 and name H41) (residue 5 and name H3)      3.80  2.00  0.70
assign (residue 6 and name H41) (residue 22 and name H3)     5.00  2.00  1.00
assign (residue 6 and name H41) (residue 23 and name H1)     2.50  0.70  0.50
assign (residue 6 and name H5) (residue 23 and name H1)      6.00  2.00  1.00 
assign (residue 6 and name H6) (residue 23 and name H1)      6.00  2.00  1.00 

{A7}
assign (residue 7 and name H1') (residue 7 and name H2)    5.00  2.00  1.00
assign (residue 7 and name H1') (residue 7 and name H8)    3.80  2.00  0.70
assign (residue 7 and name H1') (residue 8 and name H51)   5.00  2.00  1.00
assign (residue 7 and name H1') (residue 8 and name H1')   6.00  2.00  1.00
assign (residue 7 and name H1') (residue 8 and name H6)    3.80  2.00  0.70
assign (residue 7 and name H2) (residue 8 and name H6)     6.00  2.00  1.00
assign (residue 7 and name H2') (residue 6 and name H1')   6.00  2.00  1.00
assign (residue 7 and name H2') (residue 7 and name H8)    2.50  0.70  0.50
assign (residue 7 and name H2') (residue 8 and name H51)   3.80  2.00  0.70 
assign (residue 7 and name H2') (residue 8 and name H6)    3.80  2.00  0.70
assign (residue 7 and name H2'') (residue 6 and name H1')  6.00  2.00  1.00
assign (residue 7 and name H2'') (residue 7 and name H8)   3.80  2.00  0.70
assign (residue 7 and name H2'') (residue 8 and name H51)  3.80  2.00  0.70
assign (residue 7 and name H2'') (residue 8 and name H6)   3.80  2.00  0.70
assign (residue 7 and name H3') (residue 7 and name H8)    5.00  2.00  1.00
assign (residue 7 and name H3') (residue 8 and name H6)    6.00  2.00  1.00
assign (residue 7 and name H4') (residue 6 and name H1')   5.00  2.00  1.00
assign (residue 7 and name H4') (residue 7 and name H8)    6.00  2.00  1.00
assign (residue 7 and name H5') (residue 7 and name H8)    5.00  2.00  1.00
assign (residue 7 and name H5'') (residue 7 and name H8)   5.00  2.00  1.00
assign (residue 7 and name H8) (residue 8 and name H51)    5.00  2.00  1.00
assign (residue 7 and name H8) (residue 8 and name H6)     6.00  2.00  1.00
assign (residue 7 and name H2) (residue 22 and name H3)      2.50  0.70  0.50
assign (residue 7 and name H2) (residue 23 and name H1)      5.00  2.00  1.00
assign (residue 7 and name H61) (residue 22 and name H3)     2.50  0.70  0.50
assign (residue 7 and name H61) (residue 23 and name H1)     5.00  2.00  1.00
assign (residue 7 and name H62) (residue 22 and name H3)     3.80  2.00  0.70
assign (residue 7 and name H62) (residue 23 and name H1)     5.00  2.00  1.00

{T8}
assign (residue 8 and name H51) (residue 7 and name H3')   5.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H1')   6.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H2')   5.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H2'')  6.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H5')   6.00  2.00  1.00 
assign (residue 8 and name H51) (residue 8 and name H5'')  6.00  2.00  1.00 
assign (residue 8 and name H51) (residue 9 and name H8)    6.00  2.00  1.00
assign (residue 8 and name H1') (residue 7 and name H2)    5.00  2.00  1.00
assign (residue 8 and name H1') (residue 8 and name H6)    3.80  2.00  0.70
assign (residue 8 and name H1') (residue 9 and name H3')   6.00  2.00  1.00
assign (residue 8 and name H1') (residue 9 and name H8)    3.80  2.00  0.70
assign (residue 8 and name H2') (residue 8 and name H6)    2.50  0.70  0.50
assign (residue 8 and name H2') (residue 9 and name H8)    3.80  2.00  0.70
assign (residue 8 and name H2'') (residue 8 and name H6)   3.80  2.00  0.70
assign (residue 8 and name H2'') (residue 9 and name H8)   3.80  2.00  0.70
assign (residue 8 and name H4') (residue 8 and name H6)    5.00  2.00  1.00
assign (residue 8 and name H5') (residue 7 and name H1')   3.80  2.00  0.70
assign (residue 8 and name H5'') (residue 7 and name H1')  5.00  2.00  1.00
assign (residue 8 and name H6) (residue 8 and name H5')    5.00  2.00  1.00
assign (residue 8 and name H6) (residue 8 and name H5'')   6.00  2.00  1.00
assign (residue 8 and name H6) (residue 9 and name H8)     5.00  2.00  1.00
assign (residue 8 and name H1') (residue 8 and name H3)    5.00  2.00  1.00
assign (residue 8 and name H3) (residue 9 and name H1)     5.00  2.00  1.00

{G9}
assign (residue 9 and name H1') (residue 9 and name H8)    3.80  2.00  0.70
assign (residue 9 and name H1') (residue 10 and name H4')  5.00  2.00  1.00
assign (residue 9 and name H1') (residue 10 and name H5')  3.80  2.00  0.70
assign (residue 9 and name H1') (residue 10 and name H5'') 5.00  2.00  1.00
assign (residue 9 and name H1') (residue 10 and name H8)   3.80  2.00  0.70
assign (residue 9 and name H2') (residue 9 and name H8)    2.50  0.70  0.50
assign (residue 9 and name H2') (residue 10 and name H8)   3.80  2.00  0.70
assign (residue 9 and name H2'') (residue 9 and name H8)   3.80  2.00  0.70 
assign (residue 9 and name H2'') (residue 10 and name H8)  3.80  2.00  0.70 
assign (residue 9 and name H3') (residue 9 and name H8)    5.00  2.00  1.00
assign (residue 9 and name H4') (residue 9 and name H8)    6.00  2.00  1.00
assign (residue 9 and name H5') (residue 9 and name H8)    3.80  2.00  0.70
assign (residue 9 and name H5'') (residue 9 and name H8)   5.00  2.00  1.00
assign (residue 9 and name H8) (residue 10 and name H8)    5.00  2.00  1.00
assign (residue 9 and name H1') (residue 9 and name H1)    6.00  2.00  1.00

{A10}
assign (residue 10 and name H1') (residue 9 and name H1')    6.00  2.00  1.00
assign (residue 10 and name H1') (residue 10 and name H2)    5.00  2.00  1.00
assign (residue 10 and name H1') (residue 10 and name H8)    3.80  2.00  0.70
assign (residue 10 and name H1') (residue 11 and name H51)   5.00  2.00  1.00
assign (residue 10 and name H1') (residue 11 and name H6)    3.80  2.00  0.70
assign (residue 10 and name H2) (residue 11 and name H6)     6.00  2.00  1.00
assign (residue 10 and name H2') (residue 10 and name H8)    2.50  0.70  0.50
assign (residue 10 and name H2') (residue 11 and name H51)   3.80  2.00  0.70
assign (residue 10 and name H2') (residue 11 and name H6)    3.80  2.00  0.70
assign (residue 10 and name H2'') (residue 10 and name H8)   3.80  2.00  0.70
assign (residue 10 and name H2'') (residue 11 and name H51)  3.80  2.00  0.70
assign (residue 10 and name H2'') (residue 11 and name H6)   3.80  2.00  0.70
assign (residue 10 and name H3') (residue 10 and name H8)    5.00  2.00  1.00
assign (residue 10 and name H3') (residue 11 and name H51)   5.00  2.00  1.00
assign (residue 10 and name H3') (residue 11 and name H6)    6.00  2.00  1.00
assign (residue 10 and name H4') (residue 11 and name H51)   6.00  2.00  1.00
assign (residue 10 and name H5') (residue 10 and name H8)    5.00  2.00  1.00
assign (residue 10 and name H8) (residue 10 and name H4')    5.00  2.00  1.00
assign (residue 10 and name H8) (residue 10 and name H5'')   5.00  2.00  1.00
assign (residue 10 and name H8) (residue 11 and name H51)    3.80  2.00  0.70
assign (residue 10 and name H8) (residue 11 and name H6)     6.00  2.00  1.00
assign (residue 10 and name H2) (residue 19 and name H3)      2.50  0.70  0.50
assign (residue 10 and name H61) (residue 19 and name H3)     2.50  0.70  0.50
assign (residue 10 and name H62) (residue 19 and name H3)     3.80  2.00  0.70

{T11}
assign (residue 11 and name H51) (residue 11 and name H1')    6.00  2.00  1.00
assign (residue 11 and name H51) (residue 11 and name H2')    5.00  2.00  1.00 
assign (residue 11 and name H51) (residue 11 and name H2'')   6.00  2.00  1.00 
assign (residue 11 and name H51) (residue 11 and name H3')    6.00  2.00  1.00 
assign (residue 11 and name H51) (residue 11 and name H4')    6.00  2.00  1.00
assign (residue 11 and name H51) (residue 11 and name H5')    6.00  2.00  1.00
assign (residue 11 and name H51) (residue 12 and name H8)     6.00  2.00  1.00
assign (residue 11 and name H1') (residue 10 and name H2)     5.00  2.00  1.00
assign (residue 11 and name H1') (residue 11 and name H6)     3.80  2.00  0.70
assign (residue 11 and name H1') (residue 12 and name H3')    6.00  2.00  1.00
assign (residue 11 and name H1') (residue 12 and name H4')    5.00  2.00  1.00
assign (residue 11 and name H1') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 11 and name H2') (residue 11 and name H6)     2.50  0.70  0.50
assign (residue 11 and name H2') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 11 and name H2'') (residue 11 and name H6)    3.80  2.00  0.70
assign (residue 11 and name H2'') (residue 12 and name H8)    2.50  0.70  0.50
assign (residue 11 and name H4') (residue 11 and name H6)     5.00  2.00  1.00
assign (residue 11 and name H5') (residue 11 and name H6)     5.00  2.00  1.00
assign (residue 11 and name H5'') (residue 11 and name H6)    5.00  2.00  1.00
assign (residue 11 and name H6) (residue 10 and name H4')     6.00  2.00  1.00
assign (residue 11 and name H6) (residue 11 and name H3')     3.80  2.00  0.70
assign (residue 11 and name H6) (residue 12 and name H8)      5.00  2.00  1.00
assign (residue 11 and name H1') (residue 10 and name H2)    5.00  2.00  1.00 

{A12}
assign (residue 12 and name H1') (residue 11 and name H1')    6.00  2.00  1.00 
assign (residue 12 and name H1') (residue 12 and name H2)     5.00  2.00  1.00
assign (residue 12 and name H1') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 12 and name H1') (residue 13 and name H1')    5.00  2.00  1.00
assign (residue 12 and name H1') (residue 13 and name H5)     5.00  2.00  1.00
assign (residue 12 and name H1') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 12 and name H2) (residue 13 and name H5)      6.00  2.00  1.00
assign (residue 12 and name H2) (residue 13 and name H6)      6.00  2.00  1.00
assign (residue 12 and name H2) (residue 18 and name H5)      6.00  2.00  1.00
assign (residue 12 and name H2) (residue 18 and name H6)      6.00  2.00  1.00
assign (residue 12 and name H2') (residue 12 and name H8)     2.50  0.70  0.50
assign (residue 12 and name H2') (residue 13 and name H5)     3.80  2.00  0.70
assign (residue 12 and name H2') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 12 and name H2'') (residue 12 and name H8)    3.80  2.00  0.70
assign (residue 12 and name H2'') (residue 13 and name H5)    3.80  2.00  0.70
assign (residue 12 and name H2'') (residue 13 and name H6)    3.80  2.00  0.70
assign (residue 12 and name H3') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 12 and name H3') (residue 13 and name H5)     6.00  2.00  1.00
assign (residue 12 and name H3') (residue 13 and name H6)     6.00  2.00  1.00
assign (residue 12 and name H4') (residue 12 and name H8)     6.00  2.00  1.00
assign (residue 12 and name H5') (residue 12 and name H8)     3.80  2.00  0.70 
assign (residue 12 and name H5'') (residue 12 and name H8)    5.00  2.00  1.00
assign (residue 12 and name H8) (residue 13 and name H5)      3.80  2.00  0.70
assign (residue 12 and name H8) (residue 13 and name H6)      5.00  2.00  1.00
assign (residue 12 and name H2) (residue 16 and name H1)      3.80  2.00  0.70
assign (residue 12 and name H2) (residue 17 and name H3)      2.50  0.70  0.50
assign (residue 12 and name H61) (residue 17 and name H3)     3.80  2.00  0.70
assign (residue 12 and name H62) (residue 17 and name H3)     5.00  2.00  1.00

{C13}
assign (residue 13 and name H1') (residue 12 and name H2)     5.00  2.00  1.00
assign (residue 13 and name H1') (residue 13 and name H5)     6.00  2.00  1.00
assign (residue 13 and name H1') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 13 and name H1') (residue 14 and name H8)     3.80  2.00  0.70
assign (residue 13 and name H2') (residue 13 and name H5)     5.00  2.00  1.00
assign (residue 13 and name H2') (residue 13 and name H6)     2.50  0.70  0.50
assign (residue 13 and name H2') (residue 14 and name H8)     3.80  2.00  0.70
assign (residue 13 and name H2'') (residue 13 and name H5)    6.00  2.00  1.00
assign (residue 13 and name H2'') (residue 13 and name H6)    3.80  2.00  0.70
assign (residue 13 and name H2'') (residue 14 and name H8)    2.50  0.70  0.50
assign (residue 13 and name H4') (residue 13 and name H5)     6.00  2.00  1.00
assign (residue 13 and name H4') (residue 13 and name H6)     5.00  2.00  1.00
assign (residue 13 and name H5) (residue 12 and name H4')     6.00  2.00  1.00
assign (residue 13 and name H5) (residue 14 and name H8)      6.00  2.00  1.00    
assign (residue 13 and name H5') (residue 13 and name H6)     5.00  2.00  1.00
assign (residue 13 and name H5'') (residue 13 and name H6)    5.00  2.00  1.00
assign (residue 13 and name H6) (residue 14 and name H8)      5.00  2.00  1.00
assign (residue 13 and name H1') (residue 16 and name H1)     6.00  2.00  1.00
assign (residue 13 and name H3') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 13 and name H3') (residue 14 and name H8)     5.00  2.00  1.00
assign (residue 13 and name H41) (residue 16 and name H1)     2.50  0.70  0.50
assign (residue 13 and name H41) (residue 17 and name H3)     5.00  2.00  1.00
assign (residue 13 and name H42) (residue 16 and name H1)     3.80  2.00  0.70
assign (residue 13 and name H42) (residue 17 and name H3)     5.00  2.00  1.00
assign (residue 13 and name H42) (residue 14 and name H1)     6.00  2.00  1.00
assign (residue 13 and name H5) (residue 16 and name H1)      6.00  2.00  1.00
assign (residue 13 and name H6) (residue 16 and name H1)      6.00  2.00  1.00

{G14}
assign (residue 14 and name H1') (residue 14 and name H8)      3.80  2.00  0.70
assign (residue 14 and name H2') (residue 14 and name H8)      2.50  0.70  0.50
assign (residue 14 and name H2'') (residue 14 and name H8)     3.80  2.00  0.70
assign (residue 14 and name H3') (residue 14 and name H8)      5.00  2.00  1.00
assign (residue 14 and name H4') (residue 14 and name H8)      5.00  2.00  1.00
assign (residue 14 and name H5') (residue 14 and name H8)      3.80  2.00  0.70

{T22}
assign (residue 22 and name H1') (residue 21 and name H2)      5.00  2.00  1.00 



!---------------------------------------------------------------------------------------------------------------



{C15}
assign (residue 15 and name H1') (residue 15 and name H5)     6.00  2.00  1.00
assign (residue 15 and name H1') (residue 15 and name H6)     3.80  2.00  0.70
assign (residue 15 and name H1') (residue 16 and name H1')    6.00  2.00  1.00
assign (residue 15 and name H1') (residue 16 and name H3')    6.00  2.00  1.00
assign (residue 15 and name H1') (residue 16 and name H4')    5.00  2.00  1.00
assign (residue 15 and name H1') (residue 16 and name H5')    3.80  2.00  0.70
assign (residue 15 and name H1') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 15 and name H2') (residue 15 and name H6)     2.50  0.70  0.50
assign (residue 15 and name H2') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 15 and name H2'') (residue 15 and name H6)    3.80  2.00  0.70
assign (residue 15 and name H2'') (residue 16 and name H8)    2.50  0.70  0.50
assign (residue 15 and name H3') (residue 15 and name H6)     3.80  2.00  0.70  
assign (residue 15 and name H4') (residue 15 and name H6)     5.00  2.00  1.00
assign (residue 15 and name H4') (residue 16 and name H8)     6.00  2.00  1.00
assign (residue 15 and name H5) (residue 15 and name H5')     6.00  2.00  1.00
assign (residue 15 and name H5) (residue 16 and name H8)      6.00  2.00  1.00
assign (residue 15 and name H5') (residue 15 and name H6)     3.80  2.00  0.70
assign (residue 15 and name H6) (residue 16 and name H8)      5.00  2.00  1.00
assign (residue 15 and name H41) (residue 16 and name H1)    5.00  2.00  1.00
assign (residue 15 and name H41) (residue 13 and name H41)   3.80  2.00  0.70 
assign (residue 15 and name H41) (residue 14 and name H1)    3.80  2.00  0.70
assign (residue 15 and name H42) (residue 16 and name H1)    6.00  2.00  1.00 
assign (residue 15 and name H42) (residue 14 and name H1)    5.00  2.00  1.00
assign (residue 15 and name H5) (residue 14 and name H1)     6.00  2.00  1.00

{G16}
assign (residue 16 and name H1') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 16 and name H1') (residue 17 and name H51)    3.80  2.00  0.70
assign (residue 16 and name H1') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 16 and name H2') (residue 16 and name H8)     2.50  0.70  0.50
assign (residue 16 and name H2') (residue 17 and name H51)    3.80  2.00  0.70
assign (residue 16 and name H2') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 16 and name H2'') (residue 16 and name H8)    3.80  2.00  0.70
assign (residue 16 and name H2'') (residue 17 and name H51)   3.80  2.00  0.70
assign (residue 16 and name H2'') (residue 17 and name H6)    3.80  2.00  0.70 
assign (residue 16 and name H3') (residue 16 and name H8)     5.00  2.00  1.00
assign (residue 16 and name H3') (residue 17 and name H51)    5.00  2.00  1.00
assign (residue 16 and name H3') (residue 17 and name H6)     6.00  2.00  1.00
assign (residue 16 and name H4') (residue 16 and name H8)     5.00  2.00  1.00 
assign (residue 16 and name H4') (residue 17 and name H51)    6.00  2.00  1.00
assign (residue 16 and name H5') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 16 and name H5'') (residue 16 and name H8)    5.00  2.00  1.00
assign (residue 16 and name H8) (residue 17 and name H51)     3.80  2.00  0.70
assign (residue 16 and name H8) (residue 17 and name H6)      5.00  2.00  1.00
assign (residue 16 and name H1) (residue 17 and name H3)     3.80  2.00  0.70 
assign (residue 16 and name H1) (residue 14 and name H1)     3.80  2.00  0.70

{T17} 
assign (residue 17 and name H51) (residue 17 and name H1')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H2')    5.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H2'')   6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H3')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H4')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H5')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 18 and name H5)     5.00  2.00  1.00
assign (residue 17 and name H51) (residue 18 and name H6)     6.00  2.00  1.00
assign (residue 17 and name H1') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H1') (residue 18 and name H5)     3.80  2.00  0.70
assign (residue 17 and name H1') (residue 18 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H1') (residue 12 and name H2)     5.00  2.00  1.00
assign (residue 17 and name H2') (residue 16 and name H1')    5.00  2.00  1.00
assign (residue 17 and name H2') (residue 17 and name H6)     2.50  0.70  0.50
assign (residue 17 and name H2') (residue 18 and name H5)     3.80  2.00  0.70
assign (residue 17 and name H2') (residue 18 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H2'') (residue 17 and name H6)    3.80  2.00  0.70
assign (residue 17 and name H2'') (residue 18 and name H5)    3.80  2.00  0.70
assign (residue 17 and name H2'') (residue 18 and name H6)    3.80  2.00  0.70
assign (residue 17 and name H3') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H4') (residue 17 and name H6)     5.00  2.00  1.00
assign (residue 17 and name H4') (residue 18 and name H6)     6.00  2.00  1.00
assign (residue 17 and name H5') (residue 17 and name H6)     5.00  2.00  1.00
assign (residue 17 and name H6) (residue 18 and name H5)      3.80  2.00  0.70
assign (residue 17 and name H6) (residue 18 and name H6)      5.00  2.00  1.00
assign (residue 17 and name H1') (residue 16 and name H1)      6.00  2.00  1.0
assign (residue 17 and name H5'') (residue 17 and name H6)     5.00  2.00  1.00

{C18}
assign (residue 18 and name H1') (residue 18 and name H5)     6.00  2.00  1.00
assign (residue 18 and name H1') (residue 18 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H1') (residue 19 and name H51)    5.00  2.00  1.00
assign (residue 18 and name H1') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H1') (residue 19 and name H3')    6.00  2.00  1.00
assign (residue 18 and name H2') (residue 18 and name H5)     5.00  2.00  1.00
assign (residue 18 and name H2') (residue 18 and name H6)     2.50  0.70  0.50
assign (residue 18 and name H2') (residue 19 and name H51)    3.80  2.00  0.70
assign (residue 18 and name H2') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H2'') (residue 18 and name H5)    6.00  2.00  1.00
assign (residue 18 and name H2'') (residue 18 and name H6)    3.80  2.00  0.70
assign (residue 18 and name H2'') (residue 19 and name H51)   3.80  2.00  0.70
assign (residue 18 and name H2'') (residue 19 and name H6)    3.80  2.00  0.70
assign (residue 18 and name H4') (residue 18 and name H5)     6.00  2.00  1.00
assign (residue 18 and name H4') (residue 18 and name H6)     5.00  2.00  1.00
assign (residue 18 and name H4') (residue 19 and name H6)     6.00  2.00  1.00
assign (residue 18 and name H5) (residue 17 and name H3')     6.00  2.00  1.00
assign (residue 18 and name H5) (residue 19 and name H51)     5.00  2.00  1.00
assign (residue 18 and name H5'') (residue 18 and name H6)    5.00  2.00  1.00
assign (residue 18 and name H6) (residue 18 and name H3')     3.80  2.00  0.70
assign (residue 18 and name H6) (residue 19 and name H51)     3.80  2.00  0.70
assign (residue 18 and name H6) (residue 17 and name H4')     6.00  2.00  1.00
assign (residue 18 and name H6) (residue 19 and name H6)      6.00  2.00  1.00
assign (residue 18 and name H1') (residue 17 and name H3)      6.00  2.00  1.00
assign (residue 18 and name H3') (residue 19 and name H6)      3.80  2.00  0.70
assign (residue 18 and name H41) (residue 17 and name H3)      3.80  2.00  0.70
assign (residue 18 and name H41) (residue 12 and name H2)      6.00  2.00  1.00
assign (residue 18 and name H42) (residue 17 and name H3)      5.00  2.00  1.00 
assign (residue 18 and name H5) (residue 17 and name H3)       6.00  2.00  1.00
assign (residue 18 and name H5) (residue 19 and name H6)       6.00  2.00  1.00

{T19}
assign (residue 19 and name H51) (residue 19 and name H1')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H2')    3.80  2.00  0.70
assign (residue 19 and name H51) (residue 19 and name H2'')   6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H3')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H4')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H5')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H5'')   6.00  2.00  1.00
assign (residue 19 and name H1') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H1') (residue 20 and name H5)     5.00  2.00  1.00
assign (residue 19 and name H1') (residue 20 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H2') (residue 19 and name H6)     2.50  0.70  0.50
assign (residue 19 and name H2') (residue 20 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H2'') (residue 19 and name H6)    3.80  2.00  0.70
assign (residue 19 and name H2'') (residue 20 and name H6)    3.80  2.00  0.70
assign (residue 19 and name H3') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H3') (residue 20 and name H6)     6.00  2.00  1.00
assign (residue 19 and name H4') (residue 19 and name H6)     5.00  2.00  1.00
assign (residue 19 and name H5') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H5'') (residue 19 and name H6)    5.00  2.00  1.00
assign (residue 19 and name H6) (residue 20 and name H5)      3.80  2.00  0.70
assign (residue 19 and name H6) (residue 20 and name H6)      6.00  2.00  1.00
assign (residue 19 and name H3) (residue 9 and name H1)        3.80  2.00  0.70 

{C20}
assign (residue 20 and name H1') (residue 20 and name H5)    6.00  2.00  1.00
assign (residue 20 and name H1') (residue 20 and name H6)    3.80  2.00  0.70
assign (residue 20 and name H1') (residue 21 and name H3')   6.00  2.00  1.00
assign (residue 20 and name H1') (residue 21 and name H8)    3.80  2.00  0.70
assign (residue 20 and name H2') (residue 19 and name H1')   6.00  2.00  1.00
assign (residue 20 and name H2') (residue 20 and name H6)    2.50  0.70  0.50 
assign (residue 20 and name H2') (residue 21 and name H8)    3.80  2.00  0.70
assign (residue 20 and name H2'') (residue 20 and name H6)   3.80  2.00  0.70
assign (residue 20 and name H2'') (residue 21 and name H8)   3.80  2.00  0.70
assign (residue 20 and name H3') (residue 20 and name H6)    3.80  2.00  0.70
assign (residue 20 and name H3') (residue 21 and name H8)    5.00  2.00  1.00
assign (residue 20 and name H4') (residue 20 and name H6)    5.00  2.00  1.00
assign (residue 20 and name H5) (residue 19 and name H3')    6.00  2.00  1.00
assign (residue 20 and name H5) (residue 20 and name H3')    6.00  2.00  1.00
assign (residue 20 and name H5) (residue 21 and name H8)     6.00  2.00  1.00
assign (residue 20 and name H6) (residue 21 and name H8)     6.00  2.00  1.00
assign (residue 20 and name H1') (residue 19 and name H3)    6.00  2.00  1.00 
assign (residue 20 and name H1') (residue 9 and name H1)     6.00  2.00  1.00
assign (residue 20 and name H42) (residue 8 and name H3)     6.00  2.00  1.00
assign (residue 20 and name H42) (residue 9 and name H1)     3.80  2.00  0.70 
assign (residue 20 and name H41) (residue 19 and name H3)    3.80  2.00  0.70
assign (residue 20 and name H41) (residue 8 and name H3)     5.00  2.00  1.00
assign (residue 20 and name H41) (residue 9 and name H1)     2.50  0.70  0.50
assign (residue 20 and name H5) (residue 9 and name H1)      6.00  2.00  1.00 
assign (residue 20 and name H6) (residue 9 and name H1)      6.00  2.00  1.00

{A21}
assign (residue 21 and name H1') (residue 21 and name H2)    5.00  2.00  1.00
assign (residue 21 and name H1') (residue 21 and name H8)    3.80  2.00  0.70
assign (residue 21 and name H1') (residue 22 and name H51)   5.00  2.00  1.00
assign (residue 21 and name H1') (residue 22 and name H1')   6.00  2.00  1.00
assign (residue 21 and name H1') (residue 22 and name H6)    3.80  2.00  0.70
assign (residue 21 and name H2) (residue 22 and name H6)     6.00  2.00  1.00
assign (residue 21 and name H2') (residue 20 and name H1')   6.00  2.00  1.00
assign (residue 21 and name H2') (residue 21 and name H8)    2.50  0.70  0.50
assign (residue 21 and name H2') (residue 22 and name H51)   3.80  2.00  0.70 
assign (residue 21 and name H2') (residue 22 and name H6)    3.80  2.00  0.70
assign (residue 21 and name H2'') (residue 20 and name H1')  6.00  2.00  1.00
assign (residue 21 and name H2'') (residue 21 and name H8)   3.80  2.00  0.70
assign (residue 21 and name H2'') (residue 22 and name H51)  3.80  2.00  0.70 
assign (residue 21 and name H2'') (residue 22 and name H6)   3.80  2.00  0.70 
assign (residue 21 and name H3') (residue 21 and name H8)    5.00  2.00  1.00
assign (residue 21 and name H3') (residue 22 and name H6)    6.00  2.00  1.00
assign (residue 21 and name H4') (residue 20 and name H1')   5.00  2.00  1.00
assign (residue 21 and name H4') (residue 21 and name H8)    6.00  2.00  1.00 
assign (residue 21 and name H5') (residue 21 and name H8)    5.00  2.00  1.00 
assign (residue 21 and name H5'') (residue 21 and name H8)   5.00  2.00  1.00
assign (residue 21 and name H8) (residue 22 and name H51)    5.00  2.00  1.00
assign (residue 21 and name H8) (residue 22 and name H6)     6.00  2.00  1.00
assign (residue 21 and name H2) (residue 8 and name H3)      2.50  0.70  0.50
assign (residue 21 and name H2) (residue 9 and name H1)      5.00  2.00  1.00 
assign (residue 21 and name H61) (residue 8 and name H3)     2.50  0.70  0.50
assign (residue 21 and name H61) (residue 9 and name H1)     5.00  2.00  1.00
assign (residue 21 and name H62) (residue 8 and name H3)     3.80  2.00  0.70
assign (residue 21 and name H62) (residue 9 and name H1)     5.00  2.00  1.00

{T22}
assign (residue 22 and name H51) (residue 21 and name H3')   5.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H1')   6.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H2')   5.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H2'')  6.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H5')   6.00  2.00  1.00 
assign (residue 22 and name H51) (residue 22 and name H5'')  6.00  2.00  1.00 
assign (residue 22 and name H51) (residue 23 and name H8)    6.00  2.00  1.00
assign (residue 22 and name H1') (residue 21 and name H2)    5.00  2.00  1.00 
assign (residue 22 and name H1') (residue 22 and name H6)    3.80  2.00  0.70
assign (residue 22 and name H1') (residue 23 and name H3')   6.00  2.00  1.00
assign (residue 22 and name H1') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 22 and name H2') (residue 22 and name H6)    2.50  0.70  0.50
assign (residue 22 and name H2') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 22 and name H2'') (residue 22 and name H6)   3.80  2.00  0.70
assign (residue 22 and name H2'') (residue 23 and name H8)   3.80  2.00  0.70
assign (residue 22 and name H4') (residue 22 and name H6)    5.00  2.00  1.00
assign (residue 22 and name H5') (residue 21 and name H1')   3.80  2.00  0.70
assign (residue 22 and name H5'') (residue 21 and name H1')  5.00  2.00  1.00
assign (residue 22 and name H6) (residue 22 and name H5')    5.00  2.00  1.00
assign (residue 22 and name H6) (residue 22 and name H5'')   6.00  2.00  1.00
assign (residue 22 and name H6) (residue 23 and name H8)     5.00  2.00  1.00
assign (residue 22 and name H1') (residue 22 and name H3)    5.00  2.00  1.00
assign (residue 22 and name H3) (residue 23 and name H1)     5.00  2.00  1.00

{G23}
assign (residue 23 and name H1') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H1') (residue 24 and name H4')   5.00  2.00  1.00
assign (residue 23 and name H1') (residue 24 and name H5')   3.80  2.00  0.70
assign (residue 23 and name H1') (residue 24 and name H5'')  5.00  2.00  1.00
assign (residue 23 and name H1') (residue 24 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H2') (residue 23 and name H8)    2.50  0.70  0.50
assign (residue 23 and name H2') (residue 24 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H2'') (residue 23 and name H8)   3.80  2.00  0.70 
assign (residue 23 and name H2'') (residue 24 and name H8)   3.80  2.00  0.70
assign (residue 23 and name H3') (residue 23 and name H8)    5.00  2.00  1.00
assign (residue 23 and name H4') (residue 23 and name H8)    6.00  2.00  1.00
assign (residue 23 and name H5') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H5'') (residue 23 and name H8)   5.00  2.00  1.00
assign (residue 23 and name H8) (residue 24 and name H8)     5.00  2.00  1.00
assign (residue 23 and name H1') (residue 23 and name H1)    6.00  2.00  1.00

{A24}
assign (residue 24 and name H1') (residue 23 and name H1')    6.00  2.00  1.00
assign (residue 24 and name H1') (residue 24 and name H2)     5.00  2.00  1.00
assign (residue 24 and name H1') (residue 24 and name H8)     3.80  2.00  0.70
assign (residue 24 and name H1') (residue 25 and name H51)    5.00  2.00  1.00
assign (residue 24 and name H1') (residue 25 and name H6)     3.80  2.00  0.70
assign (residue 24 and name H2) (residue 25 and name H6)      6.00  2.00  1.00
assign (residue 24 and name H2') (residue 24 and name H8)     2.50  0.70  0.50
assign (residue 24 and name H2') (residue 25 and name H51)    3.80  2.00  0.70
assign (residue 24 and name H2') (residue 25 and name H6)     3.80  2.00  0.70
assign (residue 24 and name H2'') (residue 24 and name H8)    3.80  2.00  0.70
assign (residue 24 and name H2'') (residue 25 and name H51)   3.80  2.00  0.70
assign (residue 24 and name H2'') (residue 25 and name H6)    3.80  2.00  0.70
assign (residue 24 and name H3') (residue 24 and name H8)     5.00  2.00  1.00
assign (residue 24 and name H3') (residue 25 and name H51)    5.00  2.00  1.00
assign (residue 24 and name H3') (residue 25 and name H6)     6.00  2.00  1.00
assign (residue 24 and name H4') (residue 25 and name H51)    6.00  2.00  1.00
assign (residue 24 and name H5') (residue 24 and name H8)     5.00  2.00  1.00
assign (residue 24 and name H8) (residue 24 and name H4')     5.00  2.00  1.00
assign (residue 24 and name H8) (residue 24 and name H5'')    5.00  2.00  1.00
assign (residue 24 and name H8) (residue 25 and name H51)     3.80  2.00  0.70
assign (residue 24 and name H8) (residue 25 and name H6)      6.00  2.00  1.00
assign (residue 24 and name H2) (residue 5 and name H3)      2.50  0.70  0.50
assign (residue 24 and name H61) (residue 5 and name H3)     2.50  0.70  0.50 
assign (residue 24 and name H62) (residue 5 and name H3)     3.80  2.00  0.70

{T25}
assign (residue 25 and name H51) (residue 25 and name H1')    6.00  2.00  1.00
assign (residue 25 and name H51) (residue 25 and name H2')    5.00  2.00  1.00 
assign (residue 25 and name H51) (residue 25 and name H2'')   6.00  2.00  1.00 
assign (residue 25 and name H51) (residue 25 and name H3')    6.00  2.00  1.00 
assign (residue 25 and name H51) (residue 25 and name H4')    6.00  2.00  1.00
assign (residue 25 and name H51) (residue 25 and name H5')    6.00  2.00  1.00
assign (residue 25 and name H51) (residue 26 and name H8)     6.00  2.00  1.00
assign (residue 25 and name H1') (residue 24 and name H2)     5.00  2.00  1.00
assign (residue 25 and name H1') (residue 25 and name H6)     3.80  2.00  0.70
assign (residue 25 and name H1') (residue 26 and name H3')    6.00  2.00  1.00
assign (residue 25 and name H1') (residue 26 and name H4')    5.00  2.00  1.00
assign (residue 25 and name H1') (residue 26 and name H8)     3.80  2.00  0.70
assign (residue 25 and name H2') (residue 25 and name H6)     2.50  0.70  0.50
assign (residue 25 and name H2') (residue 26 and name H8)     3.80  2.00  0.70 
assign (residue 25 and name H2'') (residue 25 and name H6)    3.80  2.00  0.70 
assign (residue 25 and name H2'') (residue 26 and name H8)    2.50  0.70  0.50
assign (residue 25 and name H4') (residue 25 and name H6)     5.00  2.00  1.00
assign (residue 25 and name H5') (residue 25 and name H6)     5.00  2.00  1.00
assign (residue 25 and name H5'') (residue 25 and name H6)    5.00  2.00  1.00 
assign (residue 25 and name H6) (residue 24 and name H4')     6.00  2.00  1.00
assign (residue 25 and name H6) (residue 25 and name H3')     3.80  2.00  0.70 
assign (residue 25 and name H6) (residue 26 and name H8)      5.00  2.00  1.00
assign (residue 25 and name H1') (residue 24 and name H2)    5.00  2.00  1.00

{A26}
assign (residue 26 and name H1') (residue 25 and name H1')    6.00  2.00  1.00 
assign (residue 26 and name H1') (residue 26 and name H2)     5.00  2.00  1.00
assign (residue 26 and name H1') (residue 26 and name H8)     3.80  2.00  0.70 
assign (residue 26 and name H1') (residue 27 and name H1')    5.00  2.00  1.00
assign (residue 26 and name H1') (residue 27 and name H5)     5.00  2.00  1.00
assign (residue 26 and name H1') (residue 27 and name H6)     3.80  2.00  0.70
assign (residue 26 and name H2) (residue 27 and name H5)      6.00  2.00  1.00
assign (residue 26 and name H2) (residue 27 and name H6)      6.00  2.00  1.00
assign (residue 26 and name H2) (residue 4 and name H5)       6.00  2.00  1.00
assign (residue 26 and name H2) (residue 4 and name H6)       6.00  2.00  1.00
assign (residue 26 and name H2') (residue 26 and name H8)     2.50  0.70  0.50
assign (residue 26 and name H2') (residue 27 and name H5)     3.80  2.00  0.70
assign (residue 26 and name H2') (residue 27 and name H6)     3.80  2.00  0.70
assign (residue 26 and name H2'') (residue 26 and name H8)    3.80  2.00  0.70
assign (residue 26 and name H2'') (residue 27 and name H5)    3.80  2.00  0.70
assign (residue 26 and name H2'') (residue 27 and name H6)    3.80  2.00  0.70
assign (residue 26 and name H3') (residue 26 and name H8)     3.80  2.00  0.70
assign (residue 26 and name H3') (residue 27 and name H5)     6.00  2.00  1.00
assign (residue 26 and name H3') (residue 27 and name H6)     6.00  2.00  1.00
assign (residue 26 and name H4') (residue 26 and name H8)     6.00  2.00  1.00
assign (residue 26 and name H5') (residue 26 and name H8)     3.80  2.00  0.70 
assign (residue 26 and name H5'') (residue 26 and name H8)    5.00  2.00  1.00
assign (residue 26 and name H8) (residue 27 and name H5)      3.80  2.00  0.70
assign (residue 26 and name H8) (residue 27 and name H6)      5.00  2.00  1.00
assign (residue 26 and name H2) (residue 2 and name H1)      3.80  2.00  0.70
assign (residue 26 and name H2) (residue 3 and name H3)      2.50  0.70  0.50
assign (residue 26 and name H61) (residue 3 and name H3)     3.80  2.00  0.70
assign (residue 26 and name H62) (residue 3 and name H3)     5.00  2.00  1.00

{C27}
assign (residue 27 and name H1') (residue 26 and name H2)     5.00  2.00  1.00
assign (residue 27 and name H1') (residue 27 and name H5)     6.00  2.00  1.00
assign (residue 27 and name H1') (residue 27 and name H6)     3.80  2.00  0.70
assign (residue 27 and name H1') (residue 28 and name H8)     3.80  2.00  0.70
assign (residue 27 and name H2') (residue 27 and name H5)     5.00  2.00  1.00
assign (residue 27 and name H2') (residue 27 and name H6)     2.50  0.70  0.50
assign (residue 27 and name H2') (residue 28 and name H8)     3.80  2.00  0.70
assign (residue 27 and name H2'') (residue 27 and name H5)    6.00  2.00  1.00 
assign (residue 27 and name H2'') (residue 27 and name H6)    3.80  2.00  0.70
assign (residue 27 and name H2'') (residue 28 and name H8)    2.50  0.70  0.50 
assign (residue 27 and name H4') (residue 27 and name H5)     6.00  2.00  1.00
assign (residue 27 and name H4') (residue 27 and name H6)     5.00  2.00  1.00
assign (residue 27 and name H5) (residue 26 and name H4')     6.00  2.00  1.00
assign (residue 27 and name H5) (residue 28 and name H8)      6.00  2.00  1.00    
assign (residue 27 and name H5') (residue 27 and name H6)     5.00  2.00  1.00
assign (residue 27 and name H5'') (residue 27 and name H6)    5.00  2.00  1.00 
assign (residue 27 and name H6) (residue 28 and name H8)      5.00  2.00  1.00
assign (residue 27 and name H1') (residue 2 and name H1)     6.00  2.00  1.00
assign (residue 27 and name H3') (residue 27 and name H6)    3.80  2.00  0.70
assign (residue 27 and name H3') (residue 28 and name H8)    5.00  2.00  1.00
assign (residue 27 and name H41) (residue 2 and name H1)     2.50  0.70  0.50
assign (residue 27 and name H41) (residue 3 and name H3)     5.00  2.00  1.00
assign (residue 27 and name H42) (residue 2 and name H1)     3.80  2.00  0.70
assign (residue 27 and name H42) (residue 3 and name H3)     5.00  2.00  1.00
assign (residue 27 and name H42) (residue 28 and name H1)    6.00  2.00  1.00
assign (residue 27 and name H5) (residue 2 and name H1)      6.00  2.00  1.00
assign (residue 27 and name H6) (residue 2 and name H1)      6.00  2.00  1.00

{G28}
assign (residue 28 and name H1') (residue 28 and name H8)     3.80  2.00  0.70
assign (residue 28 and name H2') (residue 28 and name H8)     2.50  0.70  0.50
assign (residue 28 and name H2'') (residue 28 and name H8)    3.80  2.00  0.70
assign (residue 28 and name H3') (residue 28 and name H8)     5.00  2.00  1.00
assign (residue 28 and name H4') (residue 28 and name H8)     5.00  2.00  1.00
assign (residue 28 and name H5') (residue 28 and name H8)     3.80  2.00  0.70

{T8}
assign (residue 8 and name H1') (residue 7 and name H2)       5.00  2.00  1.00


!---------------------------------------------------------------------------------

{angles_for sugar puckering}                            

restraints dihedral
           nassign=1000

  for $1 in (

{====>}                            {* Select nucleotides to be restrained. *}

 1 2 3 5 6 7 8 9 10 12 13 14 15 16 17 19 20 21 22 23 24 26 27 28
            ) loop dihe

	    evaluate($a=$1+1)
	    evaluate($b=$1-1)


	   assign  ( resid $b and name O3' )
                   ( resid $1 and name P )
                   ( resid $1 and name O5' )
                   ( resid $1 and name C5' ) 50.0  -70.0 20.0 2 {* alpha *}

	   assign  ( resid $1 and name P )
                   ( resid $1 and name O5' )
                   ( resid $1 and name C5' )
                   ( resid $1 and name C4' ) 50.0  180.0 20.0 2 {* beta *}

           assign  ( resid $1 and name O5' )
                   ( resid $1 and name C5' )
                   ( resid $1 and name C4' )
                   ( resid $1 and name C3' ) 50.0   60.0 20.0 2 {* gamma *}

	   assign  ( resid $1 and name c5' )
                   ( resid $1 and name c4' )
                   ( resid $1 and name c3' )
                   ( resid $1 and name o3' ) 50.0  140.0 25.0 2 {* delta *}

           assign  ( resid $1 and name c4' )
                   ( resid $1 and name c3' )
                   ( resid $1 and name o3' )
                   ( resid $a and name P )   50.0 -170.0 20.0 2 {* epsilon *}

	   assign  ( resid $1 and name C3' )
                   ( resid $1 and name O3' )
                   ( resid $a and name P )
                   ( resid $a and name O5' ) 50.0  -85.0 20.0 2 {* zeta *}


 end loop dihe



  for $1 in (

{====>}                            {* Select purines to be restrained. *}

 2 7 9 10 12 14 16 21 23 24 26 28
            ) loop dihe

           assign  ( resid $1 and name O4' )
                   ( resid $1 and name C1' )
                   ( resid $1 and name N9 )
                   ( resid $1 and name C4 ) 50.0 -120.0 20.0 2 {* chi *}

end loop dihe


 for $1 in (

{====>}                            {* Select pyrimidines to be restrained. *}

 1 3 5 6 8 13 15 17 19 20 22 27 
            ) loop dihe

           assign  ( resid $1 and name O4' )
                   ( resid $1 and name C1' )
                   ( resid $1 and name N1 )
                   ( resid $1 and name C2 ) 50.0 -120.00 20.0 2 {* chi *}

end loop dihe


!-------------------------------------------------------------------------------


{H-bond_for base pair fix}

{C1-G28}
{GUA28}                        {CYT1}
assign (resid 28 and name H1)  (resid 1 and name N3)   1.90 0.20 0.20
assign (resid 28 and name N1)  (resid 1 and name N3)   2.90 0.30 0.30
assign (resid 28 and name O6)  (resid 1 and name H41)  2.00 0.20 0.20
assign (resid 28 and name O6)  (resid 1 and name N4)   2.90 0.30 0.30
assign (resid 28 and name H21) (resid 1 and name O2)   2.00 0.20 0.20
assign (resid 28 and name N2)  (resid 1 and name O2)   2.90 0.30 0.30


{G2-C27}
{GUA2}                        {CYT27}
assign (resid 2 and name H1)  (resid 27 and name N3)   1.90 0.20 0.20
assign (resid 2 and name N1)  (resid 27 and name N3)   2.90 0.30 0.30
assign (resid 2 and name O6)  (resid 27 and name H41)  2.00 0.20 0.20
assign (resid 2 and name O6)  (resid 27 and name N4)   2.90 0.30 0.30
assign (resid 2 and name H21) (resid 27 and name O2)   2.00 0.20 0.20
assign (resid 2 and name N2)  (resid 27 and name O2)   2.90 0.30 0.30


{T3-A26}
{THY3}                      {ADE26}
assi (resi 3 and name   H3) (resi 26  and name   N1)   1.90 0.10 0.10
assi (resi 3 and name   N3) (resi 26  and name   N1)   2.90 0.10 0.10
assi (resi 3 and name   O4) (resi 26  and name  H61)   1.90 0.10 0.10
assi (resi 3 and name   O4) (resi 26  and name   N6)   2.90 0.10 0.10



{C+4-T+25}
{THY+25}                    {CYT+4}
assi (resi 25 and name   N3) (resi 4  and name   N3)   4.10 0.30 0.30




{T5-A24}
{THY5}                      {ADE24}
assi (resi 5 and name   H3) (resi 24  and name   N1)   1.90 0.10 0.10
assi (resi 5 and name   N3) (resi 24  and name   N1)   2.90 0.10 0.10
assi (resi 5 and name   O4) (resi 24  and name  H61)   1.90 0.10 0.10
assi (resi 5 and name   O4) (resi 24  and name   N6)   2.90 0.10 0.10


{C6-G23}
{GUA23}                         {CYT6}
assign (resid 23 and name H1)  (resid 6 and name N3)   1.90 0.20 0.20
assign (resid 23 and name N1)  (resid 6 and name N3)   2.90 0.30 0.30
assign (resid 23 and name O6)  (resid 6 and name H41)  2.00 0.20 0.20
assign (resid 23 and name O6)  (resid 6 and name N4)   2.90 0.30 0.30
assign (resid 23 and name H21) (resid 6 and name O2)   2.00 0.20 0.20
assign (resid 23 and name N2)  (resid 6 and name O2)   2.90 0.30 0.30


{A7-T22}
{THY22}                      {ADE7}
assi (resi 22 and name   H3) (resi 7  and name   N1)   1.90 0.10 0.10
assi (resi 22 and name   N3) (resi 7  and name   N1)   2.90 0.10 0.10
assi (resi 22 and name   O4) (resi 7  and name  H61)   1.90 0.10 0.10
assi (resi 22 and name   O4) (resi 7  and name   N6)   2.90 0.10 0.10


!---------------------------------------------------------------------


{T8-A21}
{THY8}                      {ADE21}
assi (resi 8 and name   H3) (resi 21  and name   N1)   1.90 0.10 0.10
assi (resi 8 and name   N3) (resi 21  and name   N1)   2.90 0.10 0.10
assi (resi 8 and name   O4) (resi 21  and name  H61)   1.90 0.10 0.10
assi (resi 8 and name   O4) (resi 21  and name   N6)   2.90 0.10 0.10



{G9-C20}
{GUA9}                         {CYT20}
assign (resid 9 and name H1)  (resid 20 and name N3)   1.90 0.20 0.20
assign (resid 9 and name N1)  (resid 20 and name N3)   2.90 0.30 0.30
assign (resid 9 and name O6)  (resid 20 and name H41)  2.00 0.20 0.20
assign (resid 9 and name O6)  (resid 20 and name N4)   2.90 0.30 0.30
assign (resid 9 and name H21) (resid 20 and name O2)   2.00 0.20 0.20
assign (resid 9 and name N2)  (resid 20 and name O2)   2.90 0.30 0.30


{A10-T19}
{THY19}                      {ADE10}
assi (resi 19 and name   H3) (resi 10  and name   N1)   1.90 0.10 0.10
assi (resi 19 and name   N3) (resi 10  and name   N1)   2.90 0.10 0.10
assi (resi 19 and name   O4) (resi 10  and name  H61)   1.90 0.10 0.10
assi (resi 19 and name   O4) (resi 10  and name   N6)   2.90 0.10 0.10



{T+11-C+18}
{THY+11}                     {CYT+18}
assi (resi 11 and name   N3) (resi 18  and name   N3)   4.10 0.30 0.30



{A12-T17}
{THY17}                      {ADE12}
assi (resi 17 and name   H3) (resi 12  and name   N1)   1.90 0.10 0.10
assi (resi 17 and name   N3) (resi 12  and name   N1)   2.90 0.10 0.10
assi (resi 17 and name   O4) (resi 12  and name  H61)   1.90 0.10 0.10
assi (resi 17 and name   O4) (resi 12  and name   N6)   2.90 0.10 0.10


{C13-G16}
{GUA16}                         {CYT13}
assign (resid 16 and name H1)  (resid 13 and name N3)   1.90 0.20 0.20
assign (resid 16 and name N1)  (resid 13 and name N3)   2.90 0.30 0.30
assign (resid 16 and name O6)  (resid 13 and name H41)  2.00 0.20 0.20
assign (resid 16 and name O6)  (resid 13 and name N4)   2.90 0.30 0.30
assign (resid 16 and name H21) (resid 13 and name O2)   2.00 0.20 0.20
assign (resid 16 and name N2)  (resid 13 and name O2)   2.90 0.30 0.30



{G14-C15}
{GUA14}                         {CYT15}
assign (resid 14 and name H1)  (resid 15 and name N3)   1.90 0.20 0.20
assign (resid 14 and name N1)  (resid 15 and name N3)   2.90 0.30 0.30
assign (resid 14 and name O6)  (resid 15 and name H41)  2.00 0.20 0.20
assign (resid 14 and name O6)  (resid 15 and name N4)   2.90 0.30 0.30
assign (resid 14 and name H21) (resid 15 and name O2)   2.00 0.20 0.20
assign (resid 14 and name N2)  (resid 15 and name O2)   2.90 0.30 0.30


!--------------------------------------------------------------------------


restraints plane

group
  select= ((resid 28 and (name n1 or name c6 or name c2)) or
              (resid 1 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 2 and (name n1 or name c6 or name c2)) or
              (resid 27 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 26 and (name n1 or name c6 or name c2)) or
              (resid 3 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 24 and (name n1 or name c6 or name c2)) or
              (resid 5 and (name n3)))
  weight=30.0
 end

group
  select= ((resid 23 and (name n1 or name c6 or name c2)) or
              (resid 6 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 7 and (name n1 or name c6 or name c2)) or
              (resid 22 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 21 and (name n1 or name c6 or name c2)) or
              (resid 8 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 9 and (name n1 or name c6 or name c2)) or
              (resid 20 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 10 and (name n1 or name c6 or name c2)) or
              (resid 19 and (name n3)))
  weight=30.0
 end

group
  select= ((resid 12 and (name n1 or name c6 or name c2)) or
              (resid 17 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 16 and (name n1 or name c6 or name c2)) or
              (resid 13 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 14 and (name n1 or name c6 or name c2)) or
              (resid 15 and (name n3)))
  weight=20.0
 end

!--------------------------------------------------------------

group
  select= ((resid 28 and (name n1)) or
              (resid 1 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 2 and (name n1)) or
              (resid 27 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 26 and (name n1)) or
              (resid 3 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 24 and (name n1)) or
              (resid 5 and (name n3 or name c2 or name c4)))
  weight=30.0
 end

group
  select= ((resid 23 and (name n1)) or
              (resid 6 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 7 and (name n1)) or
              (resid 22 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 21 and (name n1)) or
              (resid 8 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 9 and (name n1)) or
              (resid 20 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 10 and (name n1)) or
              (resid 19 and (name n3 or name c2 or name c4)))
  weight=30.0
 end

group
  select= ((resid 12 and (name n1)) or
              (resid 17 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 16 and (name n1)) or
              (resid 13 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 14 and (name n1)) or
              (resid 15 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

end
!-----------------------------------------------------------------------------------------

RMSD: C-HgII-T_bp_major_duplex

  1 15
  2 16
  3 17
  4 18
  5 19
  6 20
  7 1
  8 2
  9 3
 10 4
 11 5
 12 6
 13 7
 14 8
 15 9
 16 10
 17 11
 18 12
 19 13
 20 14

RMSD table:

        1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  1       0.27 0.44 0.62 0.70 0.94 0.78 0.53 0.67 1.02 0.59 0.75 0.69 0.79 0.65 1.19 0.82 0.54 0.60 0.93
  2  0.45      0.42 0.69 0.69 1.01 0.85 0.41 0.55 1.01 0.46 0.75 0.66 0.78 0.61 1.22 0.73 0.55 0.60 0.97
  3  0.49 0.35      0.83 0.92 0.80 0.82 0.51 0.57 0.83 0.76 0.76 0.69 0.56 0.92 1.05 0.80 0.68 0.45 0.70
  4  0.51 0.75 0.76      0.43 1.43 0.49 1.04 1.15 1.54 0.88 1.31 1.24 1.25 0.64 1.69 1.37 1.05 1.02 1.28
  5  0.57 0.79 0.85 0.38      1.59 0.73 0.96 1.08 1.66 0.69 1.37 1.27 1.34 0.44 1.79 1.30 1.11 1.10 1.47
  6  0.88 0.82 0.69 1.24 1.38      1.38 0.96 1.02 0.32 1.25 0.51 0.59 0.49 1.54 0.45 0.88 0.73 0.65 0.51
  7  0.64 0.84 0.76 0.41 0.58 1.20      1.12 1.27 1.51 1.00 1.36 1.30 1.19 1.03 1.66 1.48 1.16 0.92 1.07
  8  0.61 0.33 0.43 0.98 0.95 0.81 1.03      0.40 0.90 0.50 0.67 0.56 0.75 0.84 1.09 0.46 0.55 0.61 1.00
  9  0.56 0.51 0.52 0.94 0.88 0.94 1.05 0.46      0.93 0.76 0.81 0.72 0.77 0.90 1.17 0.56 0.78 0.80 1.10
 10  0.90 0.79 0.67 1.29 1.39 0.36 1.26 0.73 0.81      1.23 0.47 0.53 0.48 1.57 0.47 0.75 0.75 0.69 0.64
 11  0.58 0.48 0.64 0.80 0.72 1.00 0.86 0.51 0.72 0.99      0.91 0.78 1.00 0.69 1.37 0.75 0.68 0.75 1.21
 12  0.74 0.61 0.64 1.15 1.22 0.44 1.18 0.57 0.76 0.39 0.75      0.19 0.57 1.26 0.60 0.50 0.35 0.58 0.80
 13  0.74 0.59 0.60 1.12 1.18 0.45 1.15 0.53 0.75 0.45 0.66 0.23      0.54 1.17 0.66 0.41 0.31 0.51 0.80
 14  0.66 0.64 0.47 1.00 1.08 0.48 0.94 0.66 0.70 0.45 0.77 0.50 0.47      1.34 0.67 0.75 0.73 0.38 0.51
 15  0.50 0.61 0.77 0.56 0.44 1.30 0.85 0.77 0.68 1.27 0.71 1.08 1.08 1.07      1.74 1.14 0.99 1.16 1.54
 16  1.13 1.04 0.92 1.49 1.58 0.46 1.46 0.94 1.12 0.50 1.14 0.56 0.55 0.67 1.50      0.87 0.86 0.84 0.81
 17  0.76 0.59 0.65 1.17 1.14 0.74 1.24 0.40 0.56 0.60 0.63 0.43 0.38 0.62 0.98 0.74      0.55 0.75 1.10
 18  0.54 0.49 0.55 0.94 0.99 0.61 1.00 0.48 0.66 0.56 0.60 0.31 0.35 0.57 0.85 0.75 0.45      0.58 0.90
 19  0.74 0.60 0.51 1.00 1.09 0.55 0.92 0.61 0.87 0.64 0.62 0.54 0.45 0.42 1.09 0.73 0.67 0.58      0.53
 20  0.87 0.82 0.63 1.11 1.28 0.43 0.97 0.87 1.00 0.57 0.95 0.67 0.62 0.46 1.30 0.71 0.90 0.75 0.46     

residues considered: 4,11,18,25

mean global bb    RMSD:  0.86 +/-  0.34 A  ( 0.19.. 1.79 A)
mean global heavy RMSD:  0.76 +/-  0.28 A  ( 0.23.. 1.58 A)

average RMSD of each structure to the rest:
structure   1 (bb   ): 0.71 +/-  0.21 A  ( 0.27.. 1.19 A)
              (heavy): 0.68 +/-  0.18 A  ( 0.45.. 1.13 A)
structure   2 (bb   ): 0.70 +/-  0.24 A  ( 0.27.. 1.22 A)
              (heavy): 0.64 +/-  0.19 A  ( 0.33.. 1.04 A)
structure   3 (bb   ): 0.71 +/-  0.18 A  ( 0.42.. 1.05 A)
              (heavy): 0.63 +/-  0.15 A  ( 0.35.. 0.92 A)
structure   4 (bb   ): 1.05 +/-  0.36 A  ( 0.43.. 1.69 A)
              (heavy): 0.93 +/-  0.31 A  ( 0.38.. 1.49 A)
structure   5 (bb   ): 1.09 +/-  0.40 A  ( 0.43.. 1.79 A)
              (heavy): 0.97 +/-  0.34 A  ( 0.38.. 1.58 A)
structure   6 (bb   ): 0.90 +/-  0.39 A  ( 0.32.. 1.59 A)
              (heavy): 0.78 +/-  0.33 A  ( 0.36.. 1.38 A)
structure   7 (bb   ): 1.11 +/-  0.30 A  ( 0.49.. 1.66 A)
              (heavy): 0.97 +/-  0.26 A  ( 0.41.. 1.46 A)
structure   8 (bb   ): 0.73 +/-  0.25 A  ( 0.40.. 1.12 A)
              (heavy): 0.67 +/-  0.22 A  ( 0.33.. 1.03 A)
structure   9 (bb   ): 0.84 +/-  0.24 A  ( 0.40.. 1.27 A)
              (heavy): 0.76 +/-  0.19 A  ( 0.46.. 1.12 A)
structure  10 (bb   ): 0.91 +/-  0.42 A  ( 0.32.. 1.66 A)
              (heavy): 0.77 +/-  0.33 A  ( 0.36.. 1.39 A)
structure  11 (bb   ): 0.86 +/-  0.26 A  ( 0.46.. 1.37 A)
              (heavy): 0.74 +/-  0.18 A  ( 0.48.. 1.14 A)
structure  12 (bb   ): 0.76 +/-  0.34 A  ( 0.19.. 1.37 A)
              (heavy): 0.67 +/-  0.30 A  ( 0.23.. 1.22 A)
structure  13 (bb   ): 0.72 +/-  0.32 A  ( 0.19.. 1.30 A)
              (heavy): 0.65 +/-  0.29 A  ( 0.23.. 1.18 A)
structure  14 (bb   ): 0.78 +/-  0.30 A  ( 0.38.. 1.34 A)
              (heavy): 0.66 +/-  0.22 A  ( 0.42.. 1.08 A)
structure  15 (bb   ): 1.06 +/-  0.37 A  ( 0.44.. 1.74 A)
              (heavy): 0.92 +/-  0.30 A  ( 0.44.. 1.50 A)
structure  16 (bb   ): 1.06 +/-  0.43 A  ( 0.45.. 1.79 A)
              (heavy): 0.95 +/-  0.36 A  ( 0.46.. 1.58 A)
structure  17 (bb   ): 0.84 +/-  0.31 A  ( 0.41.. 1.48 A)
              (heavy): 0.72 +/-  0.26 A  ( 0.38.. 1.24 A)
structure  18 (bb   ): 0.73 +/-  0.24 A  ( 0.31.. 1.16 A)
              (heavy): 0.63 +/-  0.20 A  ( 0.31.. 1.00 A)
structure  19 (bb   ): 0.71 +/-  0.22 A  ( 0.38.. 1.16 A)
              (heavy): 0.69 +/-  0.21 A  ( 0.42.. 1.09 A)
structure  20 (bb   ): 0.94 +/-  0.30 A  ( 0.51.. 1.54 A)
              (heavy): 0.81 +/-  0.26 A  ( 0.43.. 1.30 A)

residue number
average global displacements: bb, heavy, heavysc
average local RMSDs (3 residues): bb
average local displacements: bb, heavy, heavysc
(relative to mean)
residue name
  1   CYT
  2   GUA
  3   THY
  4   CYT
  5   THY
  6   CYT
  7   ADE
  8   THY
  9   GUA
 10   ADE
 11   THY+
 12   ADE
 13   CYT
 14   GUA
 15   CYT
 16   GUA
 17   THY+
 18   CYT
 19   THY+
 20   CYT
 21   ADE
 22   THY+
 23   GUA
 24   ADE
 25   THY+
 26   ADE
 27   CYT
 28   GUA
 29   HG
 30   HG

 !-----------------------------------------------------------------------------------------
 
 RMSD: overall and helix major duplex
 
 
   1 18
  2 19
  3 20
  4 1
  5 2
  6 3
  7 4
  8 5
  9 6
 10 7
 11 8
 12 9
 13 10
 14 11
 15 12
 16 13
 17 14
 18 15
 19 16
 20 17

RMSD table:

        1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  1       1.60 2.57 1.49 1.79 1.84 1.97 2.76 2.38 2.36 1.78 1.70 2.38 1.89 2.43 2.30 2.23 1.58 2.25 1.63
  2  1.39      1.94 0.79 0.81 1.48 1.35 1.72 1.68 1.59 1.21 0.58 1.83 1.37 1.65 1.42 1.66 0.89 1.19 0.80
  3  2.36 1.79      2.00 1.53 2.35 1.17 1.56 0.78 0.69 1.49 2.04 0.74 1.44 0.83 0.96 0.69 1.51 1.30 1.62
  4  1.29 0.68 1.88      1.10 1.67 1.45 2.20 1.93 1.82 1.10 1.14 1.79 1.49 1.91 1.54 1.62 0.99 1.63 0.80
  5  1.61 0.77 1.34 1.00      1.28 0.76 1.60 1.25 1.15 0.71 0.77 1.36 0.84 1.26 1.10 1.32 0.76 1.03 0.53
  6  1.66 1.25 2.04 1.45 1.13      1.31 2.56 2.02 2.04 1.37 1.26 2.23 1.14 2.17 2.25 2.10 1.15 1.96 1.26
  7  1.78 1.19 1.05 1.31 0.65 1.13      1.79 0.98 0.94 0.69 1.31 1.02 0.57 1.11 1.20 1.04 0.83 1.22 0.84
  8  2.48 1.62 1.25 2.00 1.40 2.19 1.50      1.35 1.19 2.03 1.74 1.78 1.98 1.11 1.21 1.73 1.96 0.84 1.90
  9  2.18 1.55 0.64 1.77 1.10 1.75 0.85 1.07      0.49 1.38 1.70 0.91 1.15 0.60 1.01 0.87 1.30 1.12 1.49
 10  2.19 1.52 0.56 1.72 1.06 1.81 0.86 0.97 0.42      1.28 1.62 0.80 1.14 0.45 0.77 0.83 1.28 0.90 1.40
 11  1.62 1.06 1.30 1.01 0.60 1.25 0.64 1.70 1.19 1.13      1.28 1.20 0.80 1.48 1.20 1.19 0.80 1.46 0.69
 12  1.50 0.52 1.82 0.98 0.72 1.06 1.11 1.59 1.51 1.50 1.10      1.95 1.32 1.64 1.61 1.86 1.01 1.17 0.90
 13  2.13 1.62 0.70 1.60 1.14 1.94 0.92 1.45 0.82 0.71 1.00 1.68      1.24 0.97 0.94 0.78 1.39 1.43 1.45
 14  1.68 1.16 1.27 1.29 0.70 1.01 0.50 1.66 1.02 1.04 0.70 1.11 1.08      1.30 1.44 1.22 0.75 1.41 0.95
 15  2.24 1.55 0.74 1.80 1.14 1.86 0.97 0.89 0.53 0.45 1.31 1.48 0.92 1.15      0.88 1.03 1.43 0.88 1.48
 16  2.13 1.40 0.81 1.50 1.00 1.96 1.06 0.98 0.85 0.67 1.04 1.49 0.77 1.25 0.83      0.92 1.39 1.01 1.27
 17  2.03 1.52 0.64 1.51 1.13 1.83 0.92 1.42 0.77 0.72 1.01 1.63 0.68 1.06 0.95 0.79      1.19 1.36 1.34
 18  1.41 0.75 1.42 0.86 0.67 0.97 0.74 1.71 1.21 1.23 0.73 0.83 1.26 0.67 1.33 1.29 1.12      1.32 0.71
 19  1.98 1.08 1.11 1.44 0.84 1.59 0.94 0.80 0.91 0.79 1.18 1.02 1.18 1.11 0.75 0.88 1.14 1.09      1.26
 20  1.47 0.70 1.47 0.75 0.48 1.09 0.74 1.64 1.32 1.28 0.65 0.74 1.25 0.80 1.34 1.19 1.21 0.61 1.02     

mean global bb    RMSD:  1.37 +/-  0.48 A  ( 0.45.. 2.76 A)
mean global heavy RMSD:  1.21 +/-  0.44 A  ( 0.42.. 2.48 A)

average RMSD of each structure to the rest:
structure   1 (bb   ): 2.05 +/-  0.38 A  ( 1.49.. 2.76 A)
              (heavy): 1.85 +/-  0.37 A  ( 1.29.. 2.48 A)
structure   2 (bb   ): 1.34 +/-  0.40 A  ( 0.58.. 1.94 A)
              (heavy): 1.22 +/-  0.38 A  ( 0.52.. 1.79 A)
structure   3 (bb   ): 1.43 +/-  0.57 A  ( 0.69.. 2.57 A)
              (heavy): 1.27 +/-  0.53 A  ( 0.56.. 2.36 A)
structure   4 (bb   ): 1.50 +/-  0.41 A  ( 0.79.. 2.20 A)
              (heavy): 1.36 +/-  0.39 A  ( 0.68.. 2.00 A)
structure   5 (bb   ): 1.10 +/-  0.34 A  ( 0.53.. 1.79 A)
              (heavy): 0.97 +/-  0.30 A  ( 0.48.. 1.61 A)
structure   6 (bb   ): 1.76 +/-  0.46 A  ( 1.14.. 2.56 A)
              (heavy): 1.52 +/-  0.40 A  ( 0.97.. 2.19 A)
structure   7 (bb   ): 1.13 +/-  0.35 A  ( 0.57.. 1.97 A)
              (heavy): 0.99 +/-  0.31 A  ( 0.50.. 1.78 A)
structure   8 (bb   ): 1.74 +/-  0.48 A  ( 0.84.. 2.76 A)
              (heavy): 1.49 +/-  0.44 A  ( 0.80.. 2.48 A)
structure   9 (bb   ): 1.28 +/-  0.50 A  ( 0.49.. 2.38 A)
              (heavy): 1.13 +/-  0.46 A  ( 0.42.. 2.18 A)
structure  10 (bb   ): 1.20 +/-  0.52 A  ( 0.45.. 2.36 A)
              (heavy): 1.09 +/-  0.49 A  ( 0.42.. 2.19 A)
structure  11 (bb   ): 1.22 +/-  0.37 A  ( 0.69.. 2.03 A)
              (heavy): 1.06 +/-  0.31 A  ( 0.60.. 1.70 A)
structure  12 (bb   ): 1.40 +/-  0.41 A  ( 0.58.. 2.04 A)
              (heavy): 1.23 +/-  0.38 A  ( 0.52.. 1.82 A)
structure  13 (bb   ): 1.38 +/-  0.50 A  ( 0.74.. 2.38 A)
              (heavy): 1.20 +/-  0.43 A  ( 0.68.. 2.13 A)
structure  14 (bb   ): 1.23 +/-  0.36 A  ( 0.57.. 1.98 A)
              (heavy): 1.07 +/-  0.31 A  ( 0.50.. 1.68 A)
structure  15 (bb   ): 1.29 +/-  0.51 A  ( 0.45.. 2.43 A)
              (heavy): 1.17 +/-  0.47 A  ( 0.45.. 2.24 A)
structure  16 (bb   ): 1.28 +/-  0.42 A  ( 0.77.. 2.30 A)
              (heavy): 1.15 +/-  0.40 A  ( 0.67.. 2.13 A)
structure  17 (bb   ): 1.32 +/-  0.45 A  ( 0.69.. 2.23 A)
              (heavy): 1.16 +/-  0.40 A  ( 0.64.. 2.03 A)
structure  18 (bb   ): 1.17 +/-  0.34 A  ( 0.71.. 1.96 A)
              (heavy): 1.05 +/-  0.32 A  ( 0.61.. 1.71 A)
structure  19 (bb   ): 1.30 +/-  0.36 A  ( 0.84.. 2.25 A)
              (heavy): 1.10 +/-  0.30 A  ( 0.75.. 1.98 A)
structure  20 (bb   ): 1.18 +/-  0.39 A  ( 0.53.. 1.90 A)
              (heavy): 1.04 +/-  0.34 A  ( 0.48.. 1.64 A)

residue number
average global displacements: bb, heavy, heavysc
average local RMSDs (3 residues): bb
average local displacements: bb, heavy, heavysc
(relative to mean)
residue name
  1   CYT
  2   GUA
  3   THY
  4   CYT
  5   THY
  6   CYT
  7   ADE
  8   THY
  9   GUA
 10   ADE
 11   THY+
 12   ADE
 13   CYT
 14   GUA
 15   CYT
 16   GUA
 17   THY+
 18   CYT
 19   THY+
 20   CYT
 21   ADE
 22   THY+
 23   GUA
 24   ADE
 25   THY+
 26   ADE
 27   CYT
 28   GUA
 29   HG
 30   HG

 !---------------------------------------------------------------------------------------------------------------------------------
 
 !=================================================================================================================================
 
 !---------------------------------------------------------------------------------------------------------------------------------
 
 
 MINOR DUPLEX
 
 {C1}
assign (residue 1 and name H1') (residue 1 and name H5)     6.00  2.00  1.00
assign (residue 1 and name H1') (residue 1 and name H6)     3.80  2.00  0.70
assign (residue 1 and name H1') (residue 2 and name H1')    6.00  2.00  1.00
assign (residue 1 and name H1') (residue 2 and name H3')    6.00  2.00  1.00
assign (residue 1 and name H1') (residue 2 and name H4')    5.00  2.00  1.00
assign (residue 1 and name H1') (residue 2 and name H5')    3.80  2.00  0.70 
assign (residue 1 and name H1') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 1 and name H2') (residue 1 and name H6)     2.50  0.70  0.50
assign (residue 1 and name H2') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 1 and name H2'') (residue 1 and name H6)    3.80  2.00  0.70
assign (residue 1 and name H2'') (residue 2 and name H8)    2.50  0.70  0.50
assign (residue 1 and name H3') (residue 1 and name H6)     3.80  2.00  0.70 
assign (residue 1 and name H4') (residue 1 and name H6)     5.00  2.00  1.00
assign (residue 1 and name H4') (residue 2 and name H8)     6.00  2.00  1.00
assign (residue 1 and name H5) (residue 1 and name H5')     6.00  2.00  1.00
assign (residue 1 and name H5) (residue 2 and name H8)      6.00  2.00  1.00 
assign (residue 1 and name H5') (residue 1 and name H6)     3.80  2.00  0.70
assign (residue 1 and name H6) (residue 2 and name H8)      5.00  2.00  1.00
assign (residue 1 and name H41) (residue 2 and name H1)     5.00  2.00  1.00
assign (residue 1 and name H41) (residue 27 and name H41)   3.80  2.00  0.70
assign (residue 1 and name H41) (residue 28 and name H1)    3.80  2.00  0.70
assign (residue 1 and name H42) (residue 2 and name H1)     6.00  2.00  1.00
assign (residue 1 and name H42) (residue 28 and name H1)    5.00  2.00  1.00
assign (residue 1 and name H5) (residue 28 and name H1)     6.00  2.00  1.00


{G2}
assign (residue 2 and name H1') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 2 and name H1') (residue 3 and name H51)    3.80  2.00  0.70
assign (residue 2 and name H1') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 2 and name H2') (residue 2 and name H8)     2.50  0.70  0.50
assign (residue 2 and name H2') (residue 3 and name H51)    3.80  2.00  0.70
assign (residue 2 and name H2') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 2 and name H2'') (residue 2 and name H8)    3.80  2.00  0.70
assign (residue 2 and name H2'') (residue 3 and name H51)   3.80  2.00  0.70
assign (residue 2 and name H2'') (residue 3 and name H6)    3.80  2.00  0.70 
assign (residue 2 and name H3') (residue 2 and name H8)     5.00  2.00  1.00
assign (residue 2 and name H3') (residue 3 and name H51)    5.00  2.00  1.00
assign (residue 2 and name H3') (residue 3 and name H6)     6.00  2.00  1.00
assign (residue 2 and name H4') (residue 2 and name H8)     5.00  2.00  1.00 
assign (residue 2 and name H4') (residue 3 and name H51)    6.00  2.00  1.00
assign (residue 2 and name H5') (residue 2 and name H8)     3.80  2.00  0.70
assign (residue 2 and name H5'') (residue 2 and name H8)    5.00  2.00  1.00
assign (residue 2 and name H8) (residue 3 and name H51)     3.80  2.00  0.70
assign (residue 2 and name H8) (residue 3 and name H6)      5.00  2.00  1.00
assign (residue 2 and name H1) (residue 3 and name H3)      3.80  2.00  0.70
assign (residue 2 and name H1) (residue 28 and name H1)     3.80  2.00  0.70

{T3} 
assign (residue 3 and name H51) (residue 3 and name H1')    6.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H2')    5.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H2'')   6.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H3')    6.00  2.00  1.00 
assign (residue 3 and name H51) (residue 3 and name H4')    6.00  2.00  1.00
assign (residue 3 and name H51) (residue 3 and name H5')    6.00  2.00  1.00
assign (residue 3 and name H51) (residue 4 and name H5)     5.00  2.00  1.00
assign (residue 3 and name H51) (residue 4 and name H6)     6.00  2.00  1.00
assign (residue 3 and name H1') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H1') (residue 4 and name H5)     3.80  2.00  0.70
assign (residue 3 and name H1') (residue 4 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H1') (residue 26 and name H2)    5.00  2.00  1.00
assign (residue 3 and name H2') (residue 2 and name H1')    5.00  2.00  1.00
assign (residue 3 and name H2') (residue 3 and name H6)     2.50  0.70  0.50
assign (residue 3 and name H2') (residue 4 and name H5)     3.80  2.00  0.70
assign (residue 3 and name H2') (residue 4 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H2'') (residue 3 and name H6)    3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 4 and name H5)    3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 4 and name H6)    3.80  2.00  0.70
assign (residue 3 and name H3') (residue 3 and name H6)     3.80  2.00  0.70
assign (residue 3 and name H4') (residue 3 and name H6)     5.00  2.00  1.00
assign (residue 3 and name H4') (residue 4 and name H6)     6.00  2.00  1.00
assign (residue 3 and name H5') (residue 3 and name H6)     5.00  2.00  1.00
assign (residue 3 and name H6) (residue 4 and name H5)      3.80  2.00  0.70
assign (residue 3 and name H6) (residue 4 and name H6)      5.00  2.00  1.00
assign (residue 3 and name H1') (residue 2 and name H1)     6.00  2.00  1.00
assign (residue 3 and name H5'') (residue 3 and name H6)    5.00  2.00  1.00 

{C4}
assign (residue 4 and name H1') (residue 4 and name H5)     6.00  2.00  1.00
assign (residue 4 and name H1') (residue 4 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H1') (residue 5 and name H51)    5.00  2.00  1.00
assign (residue 4 and name H1') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H1') (residue 5 and name H3')    6.00  2.00  1.00
assign (residue 4 and name H2') (residue 4 and name H5)     5.00  2.00  1.00
assign (residue 4 and name H2') (residue 4 and name H6)     2.50  0.70  0.50
assign (residue 4 and name H2') (residue 5 and name H51)    3.80  2.00  0.70
assign (residue 4 and name H2') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H2'') (residue 4 and name H5)    6.00  2.00  1.00
assign (residue 4 and name H2'') (residue 4 and name H6)    3.80  2.00  0.70
assign (residue 4 and name H2'') (residue 5 and name H51)   3.80  2.00  0.70
assign (residue 4 and name H2'') (residue 5 and name H6)    3.80  2.00  0.70
assign (residue 4 and name H4') (residue 4 and name H5)     6.00  2.00  1.00
assign (residue 4 and name H4') (residue 4 and name H6)     5.00  2.00  1.00
assign (residue 4 and name H4') (residue 5 and name H6)     6.00  2.00  1.00
assign (residue 4 and name H5) (residue 3 and name H3')     6.00  2.00  1.00
assign (residue 4 and name H5) (residue 5 and name H51)     3.80  2.00  0.70
assign (residue 4 and name H5) (residue 5 and name H6)      5.00  2.00  1.00
assign (residue 4 and name H5'') (residue 4 and name H6)    5.00  2.00  1.00
assign (residue 4 and name H6) (residue 4 and name H3')     3.80  2.00  0.70
assign (residue 4 and name H6) (residue 5 and name H51)     3.80  2.00  0.70
assign (residue 4 and name H6) (residue 3 and name H4')     6.00  2.00  1.00
assign (residue 4 and name H6) (residue 5 and name H6)      6.00  2.00  1.00
assign (residue 4 and name H1') (residue 3 and name H3)     6.00  2.00  1.00 
assign (residue 4 and name H3') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 4 and name H5) (residue 3 and name H3)      6.00  2.00  1.00 
assign (residue 4 and name H5) (residue 5 and name H6)      6.00  2.00  1.00

{T5}
assign (residue 5 and name H51) (residue 5 and name H1')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H2')    3.80  2.00  0.70
assign (residue 5 and name H51) (residue 5 and name H2'')   6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H3')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H4')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H5')    6.00  2.00  1.00
assign (residue 5 and name H51) (residue 5 and name H5'')   6.00  2.00  1.00
assign (residue 5 and name H51) (residue 6 and name H5)     3.80  2.00  0.70
assign (residue 5 and name H1') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H1') (residue 6 and name H5)     5.00  2.00  1.00
assign (residue 5 and name H1') (residue 6 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H2') (residue 5 and name H6)     2.50  0.70  0.50
assign (residue 5 and name H2') (residue 6 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H2'') (residue 5 and name H6)    3.80  2.00  0.70
assign (residue 5 and name H2'') (residue 6 and name H6)    3.80  2.00  0.70
assign (residue 5 and name H3') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H3') (residue 6 and name H6)     6.00  2.00  1.00
assign (residue 5 and name H4') (residue 5 and name H6)     5.00  2.00  1.00
assign (residue 5 and name H5') (residue 5 and name H6)     3.80  2.00  0.70
assign (residue 5 and name H5'') (residue 5 and name H6)    5.00  2.00  1.00
assign (residue 5 and name H6) (residue 6 and name H5)      3.80  2.00  0.70
assign (residue 5 and name H6) (residue 6 and name H6)      6.00  2.00  1.00
assign (residue 5 and name H3) (residue 23 and name H1)     3.80  2.00  0.70 

{C6}
assign (residue 6 and name H1') (residue 6 and name H5)    6.00  2.00  1.00
assign (residue 6 and name H1') (residue 6 and name H6)    3.80  2.00  0.70
assign (residue 6 and name H1') (residue 7 and name H3')   6.00  2.00  1.00
assign (residue 6 and name H1') (residue 7 and name H8)    3.80  2.00  0.70
assign (residue 6 and name H1') (residue 24 and name H2)   5.00  2.00  1.00
assign (residue 6 and name H2') (residue 5 and name H1')   6.00  2.00  1.00
assign (residue 6 and name H2') (residue 6 and name H6)    2.50  0.70  0.50
assign (residue 6 and name H2') (residue 7 and name H8)    3.80  2.00  0.70 
assign (residue 6 and name H2'') (residue 6 and name H6)   3.80  2.00  0.70
assign (residue 6 and name H2'') (residue 7 and name H8)   3.80  2.00  0.70
assign (residue 6 and name H3') (residue 6 and name H6)    3.80  2.00  0.70
assign (residue 6 and name H3') (residue 7 and name H8)    5.00  2.00  1.00
assign (residue 6 and name H4') (residue 6 and name H6)    5.00  2.00  1.00
assign (residue 6 and name H5) (residue 5 and name H3')    6.00  2.00  1.00
assign (residue 6 and name H5) (residue 6 and name H3')    6.00  2.00  1.00
assign (residue 6 and name H5) (residue 7 and name H8)     6.00  2.00  1.00
assign (residue 6 and name H6) (residue 7 and name H8)     5.00  2.00  1.00
assign (residue 6 and name H1') (residue 5 and name H3)    6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 23 and name H1)   6.00  2.00  1.00
assign (residue 6 and name H42) (residue 22 and name H3)   6.00  2.00  1.00
assign (residue 6 and name H42) (residue 23 and name H1)   3.80  2.00  0.70
assign (residue 6 and name H41) (residue 5 and name H3)    3.80  2.00  0.70
assign (residue 6 and name H41) (residue 22 and name H3)   5.00  2.00  1.00
assign (residue 6 and name H41) (residue 23 and name H1)   2.50  0.70  0.50
assign (residue 6 and name H5) (residue 23 and name H1)    6.00  2.00  1.00
assign (residue 6 and name H6) (residue 23 and name H1)    6.00  2.00  1.00

{A7}
assign (residue 7 and name H1') (residue 7 and name H2)    5.00  2.00  1.00
assign (residue 7 and name H1') (residue 7 and name H8)    3.80  2.00  0.70
assign (residue 7 and name H1') (residue 8 and name H51)   5.00  2.00  1.00
assign (residue 7 and name H1') (residue 8 and name H1')   6.00  2.00  1.00
assign (residue 7 and name H1') (residue 8 and name H6)    3.80  2.00  0.70
assign (residue 7 and name H2) (residue 8 and name H6)     6.00  2.00  1.00
assign (residue 7 and name H2') (residue 6 and name H1')   6.00  2.00  1.00
assign (residue 7 and name H2') (residue 7 and name H8)    2.50  0.70  0.50
assign (residue 7 and name H2') (residue 8 and name H51)   3.80  2.00  0.70 
assign (residue 7 and name H2') (residue 8 and name H6)    3.80  2.00  0.70
assign (residue 7 and name H2'') (residue 6 and name H1')  6.00  2.00  1.00
assign (residue 7 and name H2'') (residue 7 and name H8)   3.80  2.00  0.70
assign (residue 7 and name H2'') (residue 8 and name H51)  3.80  2.00  0.70
assign (residue 7 and name H2'') (residue 8 and name H6)   3.80  2.00  0.70
assign (residue 7 and name H3') (residue 7 and name H8)    5.00  2.00  1.00
assign (residue 7 and name H3') (residue 8 and name H6)    6.00  2.00  1.00
assign (residue 7 and name H4') (residue 6 and name H1')   5.00  2.00  1.00
assign (residue 7 and name H4') (residue 7 and name H8)    6.00  2.00  1.00
assign (residue 7 and name H5') (residue 7 and name H8)    5.00  2.00  1.00
assign (residue 7 and name H5'') (residue 7 and name H8)   5.00  2.00  1.00
assign (residue 7 and name H8) (residue 8 and name H51)    5.00  2.00  1.00
assign (residue 7 and name H8) (residue 8 and name H6)     6.00  2.00  1.00
assign (residue 7 and name H2) (residue 22 and name H3)    2.50  0.70  0.50
assign (residue 7 and name H2) (residue 23 and name H1)    5.00  2.00  1.00
assign (residue 7 and name H61) (residue 22 and name H3)   2.50  0.70  0.50
assign (residue 7 and name H61) (residue 23 and name H1)   5.00  2.00  1.00
assign (residue 7 and name H62) (residue 22 and name H3)   3.80  2.00  0.70
assign (residue 7 and name H62) (residue 23 and name H1)   5.00  2.00  1.00

{T8}
assign (residue 8 and name H51) (residue 7 and name H3')    5.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H1')    6.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H2')    5.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H2'')   6.00  2.00  1.00
assign (residue 8 and name H51) (residue 8 and name H5')    6.00  2.00  1.00 
assign (residue 8 and name H51) (residue 8 and name H5'')   6.00  2.00  1.00 
assign (residue 8 and name H51) (residue 9 and name H8)     6.00  2.00  1.00
assign (residue 8 and name H1') (residue 7 and name H2)     5.00  2.00  1.00
assign (residue 8 and name H1') (residue 8 and name H6)     3.80  2.00  0.70
assign (residue 8 and name H1') (residue 9 and name H3')    6.00  2.00  1.00
assign (residue 8 and name H1') (residue 9 and name H8)     3.80  2.00  0.70
assign (residue 8 and name H1') (residue 7 and name H2)     5.00  2.00  1.00
assign (residue 8 and name H2') (residue 8 and name H6)     2.50  0.70  0.50
assign (residue 8 and name H2') (residue 9 and name H8)     3.80  2.00  0.70
assign (residue 8 and name H2'') (residue 8 and name H6)    3.80  2.00  0.70
assign (residue 8 and name H2'') (residue 9 and name H8)    3.80  2.00  0.70
assign (residue 8 and name H4') (residue 8 and name H6)     5.00  2.00  1.00
assign (residue 8 and name H5') (residue 7 and name H1')    3.80  2.00  0.70
assign (residue 8 and name H5'') (residue 7 and name H1')   5.00  2.00  1.00
assign (residue 8 and name H6) (residue 8 and name H5')     5.00  2.00  1.00
assign (residue 8 and name H6) (residue 8 and name H5'')    6.00  2.00  1.00
assign (residue 8 and name H6) (residue 9 and name H8)      5.00  2.00  1.00
assign (residue 8 and name H1') (residue 8 and name H3)     5.00  2.00  1.00
assign (residue 8 and name H3) (residue 9 and name H1)      5.00  2.00  1.00

{G9}
assign (residue 9 and name H1') (residue 9 and name H8)      3.80  2.00  0.70
assign (residue 9 and name H1') (residue 10 and name H4')    5.00  2.00  1.00
assign (residue 9 and name H1') (residue 10 and name H5')    3.80  2.00  0.70
assign (residue 9 and name H1') (residue 10 and name H5'')   5.00  2.00  1.00
assign (residue 9 and name H1') (residue 10 and name H8)     3.80  2.00  0.70
assign (residue 9 and name H2') (residue 9 and name H8)      2.50  0.70  0.50
assign (residue 9 and name H2') (residue 10 and name H8)     3.80  2.00  0.70
assign (residue 9 and name H2'') (residue 9 and name H8)     3.80  2.00  0.70 
assign (residue 9 and name H2'') (residue 10 and name H8)    3.80  2.00  0.70
assign (residue 9 and name H3') (residue 9 and name H8)      5.00  2.00  1.00
assign (residue 9 and name H4') (residue 9 and name H8)      6.00  2.00  1.00
assign (residue 9 and name H5') (residue 9 and name H8)      3.80  2.00  0.70
assign (residue 9 and name H5'') (residue 9 and name H8)     5.00  2.00  1.00
assign (residue 9 and name H8) (residue 10 and name H8)      5.00  2.00  1.00
assign (residue 9 and name H1') (residue 9 and name H1)      6.00  2.00  1.00

{A10}
assign (residue 10 and name H1') (residue 9 and name H1')     6.00  2.00  1.00
assign (residue 10 and name H1') (residue 10 and name H2)     5.00  2.00  1.00
assign (residue 10 and name H1') (residue 10 and name H8)     3.80  2.00  0.70
assign (residue 10 and name H1') (residue 11 and name H51)    3.80  2.00  0.70
assign (residue 10 and name H1') (residue 11 and name H6)     3.80  2.00  0.70
assign (residue 10 and name H2') (residue 10 and name H8)     2.50  0.70  0.50
assign (residue 10 and name H2') (residue 11 and name H51)    3.80  2.00  0.70
assign (residue 10 and name H2') (residue 11 and name H6)     3.80  2.00  0.70
assign (residue 10 and name H2'') (residue 10 and name H8)    3.80  2.00  0.70
assign (residue 10 and name H2'') (residue 11 and name H51)   3.80  2.00  0.70
assign (residue 10 and name H2'') (residue 11 and name H6)    3.80  2.00  0.70
assign (residue 10 and name H3') (residue 10 and name H8)     5.00  2.00  1.00
assign (residue 10 and name H3') (residue 11 and name H51)    5.00  2.00  1.00
assign (residue 10 and name H3') (residue 11 and name H6)     6.00  2.00  1.00
assign (residue 10 and name H4') (residue 11 and name H51)    6.00  2.00  1.00
assign (residue 10 and name H5') (residue 10 and name H8)     5.00  2.00  1.00
assign (residue 10 and name H8) (residue 10 and name H4')     5.00  2.00  1.00
assign (residue 10 and name H8) (residue 10 and name H5'')    5.00  2.00  1.00
assign (residue 10 and name H8) (residue 11 and name H51)     3.80  2.00  0.70
assign (residue 10 and name H8) (residue 11 and name H6)      5.00  2.00  1.00
assign (residue 10 and name H2) (residue 19 and name H3)      2.50  0.70  0.50
assign (residue 10 and name H61) (residue 19 and name H3)     2.50  0.70  0.50 
assign (residue 10 and name H62) (residue 19 and name H3)     3.80  2.00  0.70

{T11}
assign (residue 11 and name H51) (residue 11 and name H1')    6.00  2.00  1.00
assign (residue 11 and name H51) (residue 11 and name H2')    5.00  2.00  1.00
assign (residue 11 and name H51) (residue 11 and name H3')    6.00  2.00  1.00
assign (residue 11 and name H51) (residue 11 and name H4')    6.00  2.00  1.00
assign (residue 11 and name H51) (residue 11 and name H5')    6.00  2.00  1.00
assign (residue 11 and name H1') (residue 10 and name H2)     5.00  2.00  1.00
assign (residue 11 and name H1') (residue 11 and name H6)     3.80  2.00  0.70
assign (residue 11 and name H1') (residue 12 and name H3')    6.00  2.00  1.00
assign (residue 11 and name H1') (residue 12 and name H4')    5.00  2.00  1.00
assign (residue 11 and name H1') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 11 and name H2') (residue 11 and name H6)     2.50  0.70  0.50
assign (residue 11 and name H2') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 11 and name H2'') (residue 11 and name H6)    3.80  2.00  0.70
assign (residue 11 and name H2'') (residue 12 and name H8)    2.50  0.70  0.50
assign (residue 11 and name H4') (residue 11 and name H6)     5.00  2.00  1.00
assign (residue 11 and name H5') (residue 11 and name H6)     5.00  2.00  1.00
assign (residue 11 and name H5'') (residue 11 and name H6)    5.00  2.00  1.00
assign (residue 11 and name H6) (residue 10 and name H4')     6.00  2.00  1.00
assign (residue 11 and name H6) (residue 11 and name H3')     3.80  2.00  0.70
assign (residue 11 and name H6) (residue 12 and name H8)      5.00  2.00  1.00
assign (residue 11 and name H1') (residue 10 and name H2)     5.00  2.00  1.00

{A12}
assign (residue 12 and name H1') (residue 11 and name H1')    6.00  2.00  1.00
assign (residue 12 and name H1') (residue 12 and name H2)     5.00  2.00  1.00
assign (residue 12 and name H1') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 12 and name H1') (residue 13 and name H1')    5.00  2.00  1.00
assign (residue 12 and name H1') (residue 13 and name H5)     5.00  2.00  1.00
assign (residue 12 and name H1') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 12 and name H2) (residue 13 and name H5)      6.00  2.00  1.00
assign (residue 12 and name H2) (residue 13 and name H6)      6.00  2.00  1.00
assign (residue 12 and name H2) (residue 18 and name H5)      6.00  2.00  1.00
assign (residue 12 and name H2) (residue 18 and name H6)      6.00  2.00  1.00
assign (residue 12 and name H2') (residue 12 and name H8)     2.50  0.70  0.50
assign (residue 12 and name H2') (residue 13 and name H5)     3.80  2.00  0.70
assign (residue 12 and name H2') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 12 and name H2'') (residue 12 and name H8)    3.80  2.00  0.70
assign (residue 12 and name H2'') (residue 13 and name H5)    3.80  2.00  0.70
assign (residue 12 and name H2'') (residue 13 and name H6)    3.80  2.00  0.70
assign (residue 12 and name H3') (residue 12 and name H8)     3.80  2.00  0.70
assign (residue 12 and name H3') (residue 13 and name H5)     6.00  2.00  1.00
assign (residue 12 and name H3') (residue 13 and name H6)     6.00  2.00  1.00
assign (residue 12 and name H4') (residue 12 and name H8)     6.00  2.00  1.00
assign (residue 12 and name H5') (residue 12 and name H8)     3.80  2.00  0.70 
assign (residue 12 and name H5'') (residue 12 and name H8)    5.00  2.00  1.00
assign (residue 12 and name H8) (residue 13 and name H5)      3.80  2.00  0.70
assign (residue 12 and name H8) (residue 13 and name H6)      5.00  2.00  1.00
assign (residue 12 and name H2) (residue 16 and name H1)      3.80  2.00  0.70
assign (residue 12 and name H2) (residue 17 and name H3)      2.50  0.70  0.50
assign (residue 12 and name H61) (residue 17 and name H3)     3.80  2.00  0.70 
assign (residue 12 and name H62) (residue 17 and name H3)     5.00  2.00  1.00

{C13}
assign (residue 13 and name H1') (residue 12 and name H2)     5.00  2.00  1.00
assign (residue 13 and name H1') (residue 13 and name H5)     6.00  2.00  1.00
assign (residue 13 and name H1') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 13 and name H1') (residue 14 and name H8)     3.80  2.00  0.70
assign (residue 13 and name H2') (residue 13 and name H5)     5.00  2.00  1.00
assign (residue 13 and name H2') (residue 13 and name H6)     2.50  0.70  0.50
assign (residue 13 and name H2') (residue 14 and name H8)     3.80  2.00  0.70
assign (residue 13 and name H2'') (residue 13 and name H5)    6.00  2.00  1.00
assign (residue 13 and name H2'') (residue 13 and name H6)    3.80  2.00  0.70
assign (residue 13 and name H2'') (residue 14 and name H8)    2.50  0.70  0.50
assign (residue 13 and name H4') (residue 13 and name H5)     6.00  2.00  1.00
assign (residue 13 and name H4') (residue 13 and name H6)     5.00  2.00  1.00
assign (residue 13 and name H5) (residue 12 and name H4')     6.00  2.00  1.00
assign (residue 13 and name H5) (residue 14 and name H8)      6.00  2.00  1.00    
assign (residue 13 and name H5') (residue 13 and name H6)     5.00  2.00  1.00
assign (residue 13 and name H5'') (residue 13 and name H6)    5.00  2.00  1.00
assign (residue 13 and name H6) (residue 14 and name H8)      5.00  2.00  1.00
assign (residue 13 and name H1') (residue 16 and name H1)     6.00  2.00  1.00
assign (residue 13 and name H3') (residue 13 and name H6)     3.80  2.00  0.70
assign (residue 13 and name H3') (residue 14 and name H8)     5.00  2.00  1.00
assign (residue 13 and name H41) (residue 16 and name H1)     2.50  0.70  0.50
assign (residue 13 and name H41) (residue 17 and name H3)     5.00  2.00  1.00
assign (residue 13 and name H42) (residue 16 and name H1)     3.80  2.00  0.70
assign (residue 13 and name H42) (residue 17 and name H3)     5.00  2.00  1.00
assign (residue 13 and name H42) (residue 14 and name H1)     6.00  2.00  1.00
assign (residue 13 and name H5) (residue 16 and name H1)      6.00  2.00  1.00
assign (residue 13 and name H6) (residue 16 and name H1)      6.00  2.00  1.00

{G14}
assign (residue 14 and name H1') (residue 14 and name H8)      3.80  2.00  0.70
assign (residue 14 and name H2') (residue 14 and name H8)      2.50  0.70  0.50
assign (residue 14 and name H2'') (residue 14 and name H8)     3.80  2.00  0.70
assign (residue 14 and name H3') (residue 14 and name H8)      5.00  2.00  1.00
assign (residue 14 and name H4') (residue 14 and name H8)      5.00  2.00  1.00
assign (residue 14 and name H5') (residue 14 and name H8)      3.80  2.00  0.70

!------------------------------------------------------------------------------------

{C15}
assign (residue 15 and name H1') (residue 15 and name H5)     6.00  2.00  1.00
assign (residue 15 and name H1') (residue 15 and name H6)     3.80  2.00  0.70
assign (residue 15 and name H1') (residue 16 and name H1')    6.00  2.00  1.00
assign (residue 15 and name H1') (residue 16 and name H3')    6.00  2.00  1.00
assign (residue 15 and name H1') (residue 16 and name H4')    5.00  2.00  1.00
assign (residue 15 and name H1') (residue 16 and name H5')    3.80  2.00  0.70 
assign (residue 15 and name H1') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 15 and name H2') (residue 15 and name H6)     2.50  0.70  0.50
assign (residue 15 and name H2') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 15 and name H2'') (residue 15 and name H6)    3.80  2.00  0.70
assign (residue 15 and name H2'') (residue 16 and name H8)    2.50  0.70  0.50
assign (residue 15 and name H3') (residue 15 and name H6)     3.80  2.00  0.70 
assign (residue 15 and name H4') (residue 15 and name H6)     5.00  2.00  1.00
assign (residue 15 and name H4') (residue 16 and name H8)     6.00  2.00  1.00
assign (residue 15 and name H5) (residue 15 and name H5')     6.00  2.00  1.00
assign (residue 15 and name H5) (residue 16 and name H8)      6.00  2.00  1.00 
assign (residue 15 and name H5') (residue 15 and name H6)     3.80  2.00  0.70
assign (residue 15 and name H6) (residue 16 and name H8)      5.00  2.00  1.00
assign (residue 15 and name H41) (residue 16 and name H1)     5.00  2.00  1.00
assign (residue 15 and name H41) (residue 13 and name H41)    3.80  2.00  0.70
assign (residue 15 and name H41) (residue 14 and name H1)     3.80  2.00  0.70
assign (residue 15 and name H42) (residue 16 and name H1)     6.00  2.00  1.00
assign (residue 15 and name H42) (residue 14 and name H1)     5.00  2.00  1.00
assign (residue 15 and name H5) (residue 14 and name H1)      6.00  2.00  1.00

{G16}
assign (residue 16 and name H1') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 16 and name H1') (residue 17 and name H51)    3.80  2.00  0.70
assign (residue 16 and name H1') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 16 and name H2') (residue 16 and name H8)     2.50  0.70  0.50
assign (residue 16 and name H2') (residue 17 and name H51)    3.80  2.00  0.70
assign (residue 16 and name H2') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 16 and name H2'') (residue 16 and name H8)    3.80  2.00  0.70
assign (residue 16 and name H2'') (residue 17 and name H51)   3.80  2.00  0.70
assign (residue 16 and name H2'') (residue 17 and name H6)    3.80  2.00  0.70 
assign (residue 16 and name H3') (residue 16 and name H8)     5.00  2.00  1.00
assign (residue 16 and name H3') (residue 17 and name H51)    5.00  2.00  1.00
assign (residue 16 and name H3') (residue 17 and name H6)     6.00  2.00  1.00
assign (residue 16 and name H4') (residue 16 and name H8)     5.00  2.00  1.00 
assign (residue 16 and name H4') (residue 17 and name H51)    6.00  2.00  1.00
assign (residue 16 and name H5') (residue 16 and name H8)     3.80  2.00  0.70
assign (residue 16 and name H5'') (residue 16 and name H8)    5.00  2.00  1.00
assign (residue 16 and name H8) (residue 17 and name H51)     3.80  2.00  0.70
assign (residue 16 and name H8) (residue 17 and name H6)      5.00  2.00  1.00
assign (residue 16 and name H1) (residue 17 and name H3)      3.80  2.00  0.70
assign (residue 16 and name H1) (residue 14 and name H1)      3.80  2.00  0.70

{T17} 
assign (residue 17 and name H51) (residue 17 and name H1')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H2')    5.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H2'')   6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H3')    6.00  2.00  1.00 
assign (residue 17 and name H51) (residue 17 and name H4')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 17 and name H5')    6.00  2.00  1.00
assign (residue 17 and name H51) (residue 18 and name H5)     5.00  2.00  1.00
assign (residue 17 and name H51) (residue 18 and name H6)     6.00  2.00  1.00
assign (residue 17 and name H1') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H1') (residue 18 and name H5)     3.80  2.00  0.70
assign (residue 17 and name H1') (residue 18 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H1') (residue 12 and name H2)     5.00  2.00  1.00
assign (residue 17 and name H2') (residue 16 and name H1')    5.00  2.00  1.00
assign (residue 17 and name H2') (residue 17 and name H6)     2.50  0.70  0.50
assign (residue 17 and name H2') (residue 18 and name H5)     3.80  2.00  0.70
assign (residue 17 and name H2') (residue 18 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H2'') (residue 17 and name H6)    3.80  2.00  0.70 
assign (residue 17 and name H2'') (residue 18 and name H5)    3.80  2.00  0.70 
assign (residue 17 and name H2'') (residue 18 and name H6)    3.80  2.00  0.70
assign (residue 17 and name H3') (residue 17 and name H6)     3.80  2.00  0.70
assign (residue 17 and name H4') (residue 17 and name H6)     5.00  2.00  1.00
assign (residue 17 and name H4') (residue 18 and name H6)     6.00  2.00  1.00
assign (residue 17 and name H5') (residue 17 and name H6)     5.00  2.00  1.00
assign (residue 17 and name H6) (residue 18 and name H5)      3.80  2.00  0.70
assign (residue 17 and name H6) (residue 18 and name H6)      5.00  2.00  1.00
assign (residue 17 and name H1') (residue 16 and name H1)     6.00  2.00  1.0
assign (residue 17 and name H5'') (residue 17 and name H6)    5.00  2.00  1.00

{C18}
assign (residue 18 and name H1') (residue 18 and name H5)     6.00  2.00  1.00
assign (residue 18 and name H1') (residue 18 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H1') (residue 19 and name H51)    5.00  2.00  1.00
assign (residue 18 and name H1') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H1') (residue 19 and name H3')    6.00  2.00  1.00
assign (residue 18 and name H2') (residue 18 and name H5)     5.00  2.00  1.00
assign (residue 18 and name H2') (residue 18 and name H6)     2.50  0.70  0.50
assign (residue 18 and name H2') (residue 19 and name H51)    3.80  2.00  0.70
assign (residue 18 and name H2') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H2'') (residue 18 and name H5)    6.00  2.00  1.00
assign (residue 18 and name H2'') (residue 18 and name H6)    3.80  2.00  0.70
assign (residue 18 and name H2'') (residue 19 and name H51)   3.80  2.00  0.70
assign (residue 18 and name H2'') (residue 19 and name H6)    3.80  2.00  0.70
assign (residue 18 and name H4') (residue 18 and name H5)     6.00  2.00  1.00
assign (residue 18 and name H4') (residue 18 and name H6)     5.00  2.00  1.00
assign (residue 18 and name H4') (residue 19 and name H6)     6.00  2.00  1.00
assign (residue 18 and name H5) (residue 17 and name H3')     6.00  2.00  1.00
assign (residue 18 and name H5) (residue 19 and name H51)     3.80  2.00  0.70
assign (residue 18 and name H5) (residue 19 and name H6)      5.00  2.00  1.00
assign (residue 18 and name H5'') (residue 18 and name H6)    5.00  2.00  1.00
assign (residue 18 and name H6) (residue 18 and name H3')     3.80  2.00  0.70
assign (residue 18 and name H6) (residue 19 and name H51)     3.80  2.00  0.70
assign (residue 18 and name H6) (residue 17 and name H4')     6.00  2.00  1.00
assign (residue 18 and name H6) (residue 19 and name H6)      6.00  2.00  1.00
assign (residue 18 and name H1') (residue 17 and name H3)     6.00  2.00  1.00
assign (residue 18 and name H3') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 18 and name H5) (residue 17 and name H3)      6.00  2.00  1.00
assign (residue 18 and name H5) (residue 19 and name H6)      6.00  2.00  1.00

{T19}
assign (residue 19 and name H51) (residue 19 and name H1')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H2')    3.80  2.00  0.70
assign (residue 19 and name H51) (residue 19 and name H2'')   6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H3')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H4')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H5')    6.00  2.00  1.00
assign (residue 19 and name H51) (residue 19 and name H5'')   6.00  2.00  1.00
assign (residue 19 and name H51) (residue 20 and name H5)     3.80  2.00  0.70
assign (residue 19 and name H1') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H1') (residue 20 and name H5)     5.00  2.00  1.00
assign (residue 19 and name H1') (residue 20 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H2') (residue 19 and name H6)     2.50  0.70  0.50
assign (residue 19 and name H2') (residue 20 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H2'') (residue 19 and name H6)    3.80  2.00  0.70
assign (residue 19 and name H2'') (residue 20 and name H6)    3.80  2.00  0.70
assign (residue 19 and name H3') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H3') (residue 20 and name H6)     6.00  2.00  1.00
assign (residue 19 and name H4') (residue 19 and name H6)     5.00  2.00  1.00
assign (residue 19 and name H5') (residue 19 and name H6)     3.80  2.00  0.70
assign (residue 19 and name H5'') (residue 19 and name H6)    5.00  2.00  1.00
assign (residue 19 and name H6) (residue 20 and name H5)      3.80  2.00  0.70
assign (residue 19 and name H6) (residue 20 and name H6)      6.00  2.00  1.00
assign (residue 19 and name H3) (residue 9 and name H1)       3.80  2.00  0.70

{C20}
assign (residue 20 and name H1') (residue 20 and name H5)    6.00  2.00  1.00
assign (residue 20 and name H1') (residue 20 and name H6)    3.80  2.00  0.70
assign (residue 20 and name H1') (residue 21 and name H3')   6.00  2.00  1.00
assign (residue 20 and name H1') (residue 21 and name H8)    3.80  2.00  0.70
assign (residue 20 and name H1') (residue 10 and name H2)    5.00  2.00  1.00
assign (residue 20 and name H2') (residue 19 and name H1')   6.00  2.00  1.00
assign (residue 20 and name H2') (residue 20 and name H6)    2.50  0.70  0.50
assign (residue 20 and name H2') (residue 21 and name H8)    3.80  2.00  0.70 
assign (residue 20 and name H2'') (residue 20 and name H6)   3.80  2.00  0.70
assign (residue 20 and name H2'') (residue 21 and name H8)   3.80  2.00  0.70
assign (residue 20 and name H3') (residue 20 and name H6)    3.80  2.00  0.70
assign (residue 20 and name H3') (residue 21 and name H8)    5.00  2.00  1.00
assign (residue 20 and name H4') (residue 20 and name H6)    5.00  2.00  1.00
assign (residue 20 and name H5) (residue 19 and name H3')    6.00  2.00  1.00
assign (residue 20 and name H5) (residue 20 and name H3')    6.00  2.00  1.00
assign (residue 20 and name H5) (residue 21 and name H8)     6.00  2.00  1.00
assign (residue 20 and name H6) (residue 21 and name H8)     5.00  2.00  1.00
assign (residue 20 and name H1') (residue 19 and name H3)    6.00  2.00  1.00
assign (residue 20 and name H1') (residue 9 and name H1)     6.00  2.00  1.00
assign (residue 20 and name H42) (residue 8 and name H3)     6.00  2.00  1.00
assign (residue 20 and name H42) (residue 9 and name H1)     3.80  2.00  0.70
assign (residue 20 and name H41) (residue 19 and name H3)    3.80  2.00  0.70
assign (residue 20 and name H41) (residue 8 and name H3)     5.00  2.00  1.00
assign (residue 20 and name H41) (residue 9 and name H1)     2.50  0.70  0.50
assign (residue 20 and name H5) (residue 9 and name H1)      6.00  2.00  1.00
assign (residue 20 and name H6) (residue 9 and name H1)      6.00  2.00  1.00

{A21}
assign (residue 21 and name H1') (residue 21 and name H2)    5.00  2.00  1.00
assign (residue 21 and name H1') (residue 21 and name H8)    3.80  2.00  0.70
assign (residue 21 and name H1') (residue 22 and name H51)   5.00  2.00  1.00
assign (residue 21 and name H1') (residue 22 and name H1')   6.00  2.00  1.00
assign (residue 21 and name H1') (residue 22 and name H6)    3.80  2.00  0.70
assign (residue 21 and name H2) (residue 22 and name H6)     6.00  2.00  1.00
assign (residue 21 and name H2') (residue 20 and name H1')   6.00  2.00  1.00
assign (residue 21 and name H2') (residue 21 and name H8)    2.50  0.70  0.50
assign (residue 21 and name H2') (residue 22 and name H51)   3.80  2.00  0.70 
assign (residue 21 and name H2') (residue 22 and name H6)    3.80  2.00  0.70
assign (residue 21 and name H2'') (residue 20 and name H1')  6.00  2.00  1.00
assign (residue 21 and name H2'') (residue 21 and name H8)   3.80  2.00  0.70
assign (residue 21 and name H2'') (residue 22 and name H51)  3.80  2.00  0.70
assign (residue 21 and name H2'') (residue 22 and name H6)   3.80  2.00  0.70
assign (residue 21 and name H3') (residue 21 and name H8)    5.00  2.00  1.00
assign (residue 21 and name H3') (residue 22 and name H6)    6.00  2.00  1.00
assign (residue 21 and name H4') (residue 20 and name H1')   5.00  2.00  1.00
assign (residue 21 and name H4') (residue 21 and name H8)    6.00  2.00  1.00
assign (residue 21 and name H5') (residue 21 and name H8)    5.00  2.00  1.00
assign (residue 21 and name H5'') (residue 21 and name H8)   5.00  2.00  1.00
assign (residue 21 and name H8) (residue 22 and name H51)    5.00  2.00  1.00
assign (residue 21 and name H8) (residue 22 and name H6)     6.00  2.00  1.00
assign (residue 21 and name H2) (residue 8 and name H3)      2.50  0.70  0.50
assign (residue 21 and name H2) (residue 9 and name H1)      5.00  2.00  1.00
assign (residue 21 and name H61) (residue 8 and name H3)     2.50  0.70  0.50
assign (residue 21 and name H61) (residue 9 and name H1)     5.00  2.00  1.00
assign (residue 21 and name H62) (residue 8 and name H3)     3.80  2.00  0.70
assign (residue 21 and name H62) (residue 9 and name H1)     5.00  2.00  1.00

{T22}
assign (residue 22 and name H51) (residue 21 and name H3')   5.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H1')   6.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H2')   5.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H2'')  6.00  2.00  1.00
assign (residue 22 and name H51) (residue 22 and name H5')   6.00  2.00  1.00 
assign (residue 22 and name H51) (residue 22 and name H5'')  6.00  2.00  1.00 
assign (residue 22 and name H51) (residue 23 and name H8)    6.00  2.00  1.00
assign (residue 22 and name H1') (residue 21 and name H2)    5.00  2.00  1.00
assign (residue 22 and name H1') (residue 22 and name H6)    3.80  2.00  0.70
assign (residue 22 and name H1') (residue 23 and name H3')   6.00  2.00  1.00
assign (residue 22 and name H1') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 22 and name H1') (residue 21 and name H2)    5.00  2.00  1.00
assign (residue 22 and name H2') (residue 22 and name H6)    2.50  0.70  0.50
assign (residue 22 and name H2') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 22 and name H2'') (residue 22 and name H6)   3.80  2.00  0.70
assign (residue 22 and name H2'') (residue 23 and name H8)   3.80  2.00  0.70
assign (residue 22 and name H4') (residue 22 and name H6)    5.00  2.00  1.00
assign (residue 22 and name H5') (residue 21 and name H1')   3.80  2.00  0.70
assign (residue 22 and name H5'') (residue 21 and name H1')  5.00  2.00  1.00
assign (residue 22 and name H6) (residue 22 and name H5')    5.00  2.00  1.00
assign (residue 22 and name H6) (residue 22 and name H5'')   6.00  2.00  1.00
assign (residue 22 and name H6) (residue 23 and name H8)     5.00  2.00  1.00
assign (residue 22 and name H1') (residue 22 and name H3)    5.00  2.00  1.00
assign (residue 22 and name H3) (residue 23 and name H1)     5.00  2.00  1.00

{G23}
assign (residue 23 and name H1') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H1') (residue 24 and name H4')   5.00  2.00  1.00
assign (residue 23 and name H1') (residue 24 and name H5')   3.80  2.00  0.70
assign (residue 23 and name H1') (residue 24 and name H5'')  5.00  2.00  1.00
assign (residue 23 and name H1') (residue 24 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H2') (residue 23 and name H8)    2.50  0.70  0.50
assign (residue 23 and name H2') (residue 24 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H2'') (residue 23 and name H8)   3.80  2.00  0.70 
assign (residue 23 and name H2'') (residue 24 and name H8)   3.80  2.00  0.70
assign (residue 23 and name H3') (residue 23 and name H8)    5.00  2.00  1.00
assign (residue 23 and name H4') (residue 23 and name H8)    6.00  2.00  1.00
assign (residue 23 and name H5') (residue 23 and name H8)    3.80  2.00  0.70
assign (residue 23 and name H5'') (residue 23 and name H8)   5.00  2.00  1.00
assign (residue 23 and name H8) (residue 24 and name H8)     5.00  2.00  1.00
assign (residue 23 and name H1') (residue 23 and name H1)    6.00  2.00  1.00

{A24}
assign (residue 24 and name H1') (residue 23 and name H1')    6.00  2.00  1.00
assign (residue 24 and name H1') (residue 24 and name H2)     5.00  2.00  1.00
assign (residue 24 and name H1') (residue 24 and name H8)     3.80  2.00  0.70
assign (residue 24 and name H1') (residue 25 and name H51)    3.80  2.00  0.70
assign (residue 24 and name H1') (residue 25 and name H6)     3.80  2.00  0.70
assign (residue 24 and name H2') (residue 24 and name H8)     2.50  0.70  0.50
assign (residue 24 and name H2') (residue 25 and name H51)    3.80  2.00  0.70
assign (residue 24 and name H2') (residue 25 and name H6)     3.80  2.00  0.70
assign (residue 24 and name H2'') (residue 24 and name H8)    3.80  2.00  0.70
assign (residue 24 and name H2'') (residue 25 and name H51)   3.80  2.00  0.70
assign (residue 24 and name H2'') (residue 25 and name H6)    3.80  2.00  0.70
assign (residue 24 and name H3') (residue 24 and name H8)     5.00  2.00  1.00
assign (residue 24 and name H3') (residue 25 and name H51)    5.00  2.00  1.00
assign (residue 24 and name H3') (residue 25 and name H6)     6.00  2.00  1.00
assign (residue 24 and name H4') (residue 25 and name H51)    6.00  2.00  1.00
assign (residue 24 and name H5') (residue 24 and name H8)     5.00  2.00  1.00
assign (residue 24 and name H8) (residue 24 and name H4')     5.00  2.00  1.00
assign (residue 24 and name H8) (residue 24 and name H5'')    5.00  2.00  1.00
assign (residue 24 and name H8) (residue 25 and name H51)     3.80  2.00  0.70
assign (residue 24 and name H8) (residue 25 and name H6)      5.00  2.00  1.00
assign (residue 24 and name H2) (residue 5 and name H3)       2.50  0.70  0.50
assign (residue 24 and name H61) (residue 5 and name H3)      2.50  0.70  0.50
assign (residue 24 and name H62) (residue 5 and name H3)      3.80  2.00  0.70

{T25}
assign (residue 25 and name H51) (residue 25 and name H1')    6.00  2.00  1.00
assign (residue 25 and name H51) (residue 25 and name H2')    5.00  2.00  1.00
assign (residue 25 and name H51) (residue 25 and name H3')    6.00  2.00  1.00
assign (residue 25 and name H51) (residue 25 and name H4')    6.00  2.00  1.00
assign (residue 25 and name H51) (residue 25 and name H5')    6.00  2.00  1.00
assign (residue 25 and name H1') (residue 24 and name H2)     5.00  2.00  1.00
assign (residue 25 and name H1') (residue 25 and name H6)     3.80  2.00  0.70
assign (residue 25 and name H1') (residue 26 and name H3')    6.00  2.00  1.00
assign (residue 25 and name H1') (residue 26 and name H4')    5.00  2.00  1.00
assign (residue 25 and name H1') (residue 26 and name H8)     3.80  2.00  0.70
assign (residue 25 and name H2') (residue 25 and name H6)     2.50  0.70  0.50
assign (residue 25 and name H2') (residue 26 and name H8)     3.80  2.00  0.70
assign (residue 25 and name H2'') (residue 25 and name H6)    3.80  2.00  0.70
assign (residue 25 and name H2'') (residue 26 and name H8)    2.50  0.70  0.50
assign (residue 25 and name H4') (residue 25 and name H6)     5.00  2.00  1.00
assign (residue 25 and name H5') (residue 25 and name H6)     5.00  2.00  1.00
assign (residue 25 and name H5'') (residue 25 and name H6)    5.00  2.00  1.00
assign (residue 25 and name H6) (residue 24 and name H4')     6.00  2.00  1.00
assign (residue 25 and name H6) (residue 25 and name H3')     3.80  2.00  0.70
assign (residue 25 and name H6) (residue 26 and name H8)      5.00  2.00  1.00
assign (residue 25 and name H1') (residue 24 and name H2)     5.00  2.00  1.00 

{A26}
assign (residue 26 and name H1') (residue 25 and name H1')     6.00  2.00  1.00
assign (residue 26 and name H1') (residue 26 and name H2)      5.00  2.00  1.00
assign (residue 26 and name H1') (residue 26 and name H8)      3.80  2.00  0.70
assign (residue 26 and name H1') (residue 27 and name H1')     5.00  2.00  1.00
assign (residue 26 and name H1') (residue 27 and name H5)      5.00  2.00  1.00
assign (residue 26 and name H1') (residue 27 and name H6)      3.80  2.00  0.70
assign (residue 26 and name H2) (residue 27 and name H5)       6.00  2.00  1.00
assign (residue 26 and name H2) (residue 27 and name H6)       6.00  2.00  1.00
assign (residue 26 and name H2) (residue 4 and name H5)        6.00  2.00  1.00
assign (residue 26 and name H2) (residue 4 and name H6)        6.00  2.00  1.00
assign (residue 26 and name H2') (residue 26 and name H8)      2.50  0.70  0.50
assign (residue 26 and name H2') (residue 27 and name H5)      3.80  2.00  0.70
assign (residue 26 and name H2') (residue 27 and name H6)      3.80  2.00  0.70
assign (residue 26 and name H2'') (residue 26 and name H8)     3.80  2.00  0.70
assign (residue 26 and name H2'') (residue 27 and name H5)     3.80  2.00  0.70
assign (residue 26 and name H2'') (residue 27 and name H6)     3.80  2.00  0.70
assign (residue 26 and name H3') (residue 26 and name H8)      3.80  2.00  0.70
assign (residue 26 and name H3') (residue 27 and name H5)      6.00  2.00  1.00
assign (residue 26 and name H3') (residue 27 and name H6)      6.00  2.00  1.00
assign (residue 26 and name H4') (residue 26 and name H8)      6.00  2.00  1.00
assign (residue 26 and name H5') (residue 26 and name H8)      3.80  2.00  0.70 
assign (residue 26 and name H5'') (residue 26 and name H8)     5.00  2.00  1.00
assign (residue 26 and name H8) (residue 27 and name H5)       3.80  2.00  0.70
assign (residue 26 and name H8) (residue 27 and name H6)       5.00  2.00  1.00
assign (residue 26 and name H2) (residue 2 and name H1)        3.80  2.00  0.70
assign (residue 26 and name H2) (residue 3 and name H3)        2.50  0.70  0.50
assign (residue 26 and name H61) (residue 3 and name H3)       3.80  2.00  0.70
assign (residue 26 and name H62) (residue 3 and name H3)       5.00  2.00  1.00

{C27}
assign (residue 27 and name H1') (residue 26 and name H2)      5.00  2.00  1.00
assign (residue 27 and name H1') (residue 27 and name H5)      6.00  2.00  1.00
assign (residue 27 and name H1') (residue 27 and name H6)      3.80  2.00  0.70
assign (residue 27 and name H1') (residue 28 and name H8)      3.80  2.00  0.70
assign (residue 27 and name H2') (residue 27 and name H5)      5.00  2.00  1.00
assign (residue 27 and name H2') (residue 27 and name H6)      2.50  0.70  0.50
assign (residue 27 and name H2') (residue 28 and name H8)      3.80  2.00  0.70
assign (residue 27 and name H2'') (residue 27 and name H5)     6.00  2.00  1.00
assign (residue 27 and name H2'') (residue 27 and name H6)     3.80  2.00  0.70
assign (residue 27 and name H2'') (residue 28 and name H8)     2.50  0.70  0.50
assign (residue 27 and name H4') (residue 27 and name H5)      6.00  2.00  1.00
assign (residue 27 and name H4') (residue 27 and name H6)      5.00  2.00  1.00
assign (residue 27 and name H5) (residue 26 and name H4')      6.00  2.00  1.00
assign (residue 27 and name H5) (residue 28 and name H8)       6.00  2.00  1.00    
assign (residue 27 and name H5') (residue 27 and name H6)      5.00  2.00  1.00
assign (residue 27 and name H5'') (residue 27 and name H6)     5.00  2.00  1.00
assign (residue 27 and name H6) (residue 28 and name H8)       5.00  2.00  1.00
assign (residue 27 and name H1') (residue 2 and name H1)       6.00  2.00  1.00
assign (residue 27 and name H3') (residue 27 and name H6)      3.80  2.00  0.70
assign (residue 27 and name H3') (residue 28 and name H8)      5.00  2.00  1.00
assign (residue 27 and name H41) (residue 2 and name H1)       2.50  0.70  0.50
assign (residue 27 and name H41) (residue 3 and name H3)       5.00  2.00  1.00
assign (residue 27 and name H42) (residue 2 and name H1)       3.80  2.00  0.70
assign (residue 27 and name H42) (residue 3 and name H3)       5.00  2.00  1.00
assign (residue 27 and name H42) (residue 28 and name H1)      6.00  2.00  1.00
assign (residue 27 and name H5) (residue 2 and name H1)        6.00  2.00  1.00
assign (residue 27 and name H6) (residue 2 and name H1)        6.00  2.00  1.00

{G28}
assign (residue 28 and name H1') (residue 28 and name H8)      3.80  2.00  0.70
assign (residue 28 and name H2') (residue 28 and name H8)      2.50  0.70  0.50
assign (residue 28 and name H2'') (residue 28 and name H8)     3.80  2.00  0.70
assign (residue 28 and name H3') (residue 28 and name H8)      5.00  2.00  1.00
assign (residue 28 and name H4') (residue 28 and name H8)      5.00  2.00  1.00
assign (residue 28 and name H5') (residue 28 and name H8)      3.80  2.00  0.70

!-----------------------------------------------------------------------------------

{angles_for sugar puckering}                               

restraints dihedral
           nassign=1000

  for $1 in (

{====>}                            {* Select nucleotides to be restrained. *}

 1 2 3 5 6 7 8 9 10 12 13 14 15 16 17 19 20 21 22 23 24 26 27 28
            ) loop dihe

	    evaluate($a=$1+1)
	    evaluate($b=$1-1)


	   assign  ( resid $b and name O3' )
                   ( resid $1 and name P )
                   ( resid $1 and name O5' )
                   ( resid $1 and name C5' ) 50.0  -70.0 20.0 2 {* alpha *}

	   assign  ( resid $1 and name P )
                   ( resid $1 and name O5' )
                   ( resid $1 and name C5' )
                   ( resid $1 and name C4' ) 50.0  180.0 20.0 2 {* beta *}

           assign  ( resid $1 and name O5' )
                   ( resid $1 and name C5' )
                   ( resid $1 and name C4' )
                   ( resid $1 and name C3' ) 50.0   60.0 20.0 2 {* gamma *}

	   assign  ( resid $1 and name c5' )
                   ( resid $1 and name c4' )
                   ( resid $1 and name c3' )
                   ( resid $1 and name o3' ) 50.0  140.0 25.0 2 {* delta *}

           assign  ( resid $1 and name c4' )
                   ( resid $1 and name c3' )
                   ( resid $1 and name o3' )
                   ( resid $a and name P )   50.0 -170.0 20.0 2 {* epsilon *}

	   assign  ( resid $1 and name C3' )
                   ( resid $1 and name O3' )
                   ( resid $a and name P )
                   ( resid $a and name O5' ) 50.0  -85.0 20.0 2 {* zeta *}


 end loop dihe



  for $1 in (

{====>}                            {* Select purines to be restrained. *}

 2 7 9 10 12 14 16 21 23 24 26 28
            ) loop dihe

           assign  ( resid $1 and name O4' )
                   ( resid $1 and name C1' )
                   ( resid $1 and name N9 )
                   ( resid $1 and name C4 ) 50.0 -120.0 20.0 2 {* chi *}

end loop dihe


 for $1 in (

{====>}                            {* Select pyrimidines to be restrained. *}

 1 3 5 6 8 13 15 17 19 20 22 27 
            ) loop dihe

           assign  ( resid $1 and name O4' )
                   ( resid $1 and name C1' )
                   ( resid $1 and name N1 )
                   ( resid $1 and name C2 ) 50.0 -120.00 20.0 2 {* chi *}

end loop dihe

!---------------------------------------------------------------------------------


{H-bond_for base pair fix}

{C1-G28}
{GUA28}                        {CYT1}
assign (resid 28 and name H1)  (resid 1 and name N3)   1.90 0.20 0.20
assign (resid 28 and name N1)  (resid 1 and name N3)   2.90 0.30 0.30
assign (resid 28 and name O6)  (resid 1 and name H41)  2.00 0.20 0.20
assign (resid 28 and name O6)  (resid 1 and name N4)   2.90 0.30 0.30
assign (resid 28 and name H21) (resid 1 and name O2)   2.00 0.20 0.20
assign (resid 28 and name N2)  (resid 1 and name O2)   2.90 0.30 0.30


{G2-C27}
{GUA2}                        {CYT27}
assign (resid 2 and name H1)  (resid 27 and name N3)   1.90 0.20 0.20
assign (resid 2 and name N1)  (resid 27 and name N3)   2.90 0.30 0.30
assign (resid 2 and name O6)  (resid 27 and name H41)  2.00 0.20 0.20
assign (resid 2 and name O6)  (resid 27 and name N4)   2.90 0.30 0.30
assign (resid 2 and name H21) (resid 27 and name O2)   2.00 0.20 0.20
assign (resid 2 and name N2)  (resid 27 and name O2)   2.90 0.30 0.30


{T3-A26}
{THY3}                      {ADE26}
assi (resi 3 and name   H3) (resi 26  and name   N1)   1.90 0.10 0.10
assi (resi 3 and name   N3) (resi 26  and name   N1)   2.90 0.10 0.10
assi (resi 3 and name   O4) (resi 26  and name  H61)   1.90 0.10 0.10
assi (resi 3 and name   O4) (resi 26  and name   N6)   2.90 0.10 0.10



{C+4-T+25}
{THY+25}                    {CYT+4}
assi (resi 25 and name   N3) (resi 4  and name   N4)   4.3 0.30 0.30


{T5-A24}
{THY5}                      {ADE24}
assi (resi 5 and name   H3) (resi 24  and name   N1)   1.90 0.10 0.10
assi (resi 5 and name   N3) (resi 24  and name   N1)   2.90 0.10 0.10
assi (resi 5 and name   O4) (resi 24  and name  H61)   1.90 0.10 0.10
assi (resi 5 and name   O4) (resi 24  and name   N6)   2.90 0.10 0.10


{C6-G23}
{GUA23}                         {CYT6}
assign (resid 23 and name H1)  (resid 6 and name N3)   1.90 0.20 0.20
assign (resid 23 and name N1)  (resid 6 and name N3)   2.90 0.30 0.30
assign (resid 23 and name O6)  (resid 6 and name H41)  2.00 0.20 0.20
assign (resid 23 and name O6)  (resid 6 and name N4)   2.90 0.30 0.30
assign (resid 23 and name H21) (resid 6 and name O2)   2.00 0.20 0.20
assign (resid 23 and name N2)  (resid 6 and name O2)   2.90 0.30 0.30


{A7-T22}
{THY22}                      {ADE7}
assi (resi 22 and name   H3) (resi 7  and name   N1)   1.90 0.10 0.10
assi (resi 22 and name   N3) (resi 7  and name   N1)   2.90 0.10 0.10
assi (resi 22 and name   O4) (resi 7  and name  H61)   1.90 0.10 0.10
assi (resi 22 and name   O4) (resi 7  and name   N6)   2.90 0.10 0.10


!---------------------------------------------------------------------


{T8-A21}
{THY8}                      {ADE21}
assi (resi 8 and name   H3) (resi 21  and name   N1)   1.90 0.10 0.10
assi (resi 8 and name   N3) (resi 21  and name   N1)   2.90 0.10 0.10
assi (resi 8 and name   O4) (resi 21  and name  H61)   1.90 0.10 0.10
assi (resi 8 and name   O4) (resi 21  and name   N6)   2.90 0.10 0.10



{G9-C20}
{GUA9}                         {CYT20}
assign (resid 9 and name H1)  (resid 20 and name N3)   1.90 0.20 0.20
assign (resid 9 and name N1)  (resid 20 and name N3)   2.90 0.30 0.30
assign (resid 9 and name O6)  (resid 20 and name H41)  2.00 0.20 0.20
assign (resid 9 and name O6)  (resid 20 and name N4)   2.90 0.30 0.30
assign (resid 9 and name H21) (resid 20 and name O2)   2.00 0.20 0.20
assign (resid 9 and name N2)  (resid 20 and name O2)   2.90 0.30 0.30


{A10-T19}
{THY19}                      {ADE10}
assi (resi 19 and name   H3) (resi 10  and name   N1)   1.90 0.10 0.10
assi (resi 19 and name   N3) (resi 10  and name   N1)   2.90 0.10 0.10
assi (resi 19 and name   O4) (resi 10  and name  H61)   1.90 0.10 0.10
assi (resi 19 and name   O4) (resi 10  and name   N6)   2.90 0.10 0.10



{T+11-C+18}
{THY+11}                     {CYT+18}
assi (resi 11 and name   N3) (resi 18  and name   N4)   4.30 0.30 0.30



{A12-T17}
{THY17}                      {ADE12}
assi (resi 17 and name   H3) (resi 12  and name   N1)   1.90 0.10 0.10
assi (resi 17 and name   N3) (resi 12  and name   N1)   2.90 0.10 0.10
assi (resi 17 and name   O4) (resi 12  and name  H61)   1.90 0.10 0.10
assi (resi 17 and name   O4) (resi 12  and name   N6)   2.90 0.10 0.10


{C13-G16}
{GUA16}                         {CYT13}
assign (resid 16 and name H1)  (resid 13 and name N3)   1.90 0.20 0.20
assign (resid 16 and name N1)  (resid 13 and name N3)   2.90 0.30 0.30
assign (resid 16 and name O6)  (resid 13 and name H41)  2.00 0.20 0.20
assign (resid 16 and name O6)  (resid 13 and name N4)   2.90 0.30 0.30
assign (resid 16 and name H21) (resid 13 and name O2)   2.00 0.20 0.20
assign (resid 16 and name N2)  (resid 13 and name O2)   2.90 0.30 0.30



{G14-C15}
{GUA14}                         {CYT15}
assign (resid 14 and name H1)  (resid 15 and name N3)   1.90 0.20 0.20
assign (resid 14 and name N1)  (resid 15 and name N3)   2.90 0.30 0.30
assign (resid 14 and name O6)  (resid 15 and name H41)  2.00 0.20 0.20
assign (resid 14 and name O6)  (resid 15 and name N4)   2.90 0.30 0.30
assign (resid 14 and name H21) (resid 15 and name O2)   2.00 0.20 0.20
assign (resid 14 and name N2)  (resid 15 and name O2)   2.90 0.30 0.30

!-------------------------------------------------------------------------------



restraints plane

group
  select= ((resid 28 and (name n1 or name c6 or name c2)) or
              (resid 1 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 2 and (name n1 or name c6 or name c2)) or
              (resid 27 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 26 and (name n1 or name c6 or name c2)) or
              (resid 3 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 24 and (name n1 or name c6 or name c2)) or
              (resid 5 and (name n3)))
  weight=30.0
 end

group
  select= ((resid 23 and (name n1 or name c6 or name c2)) or
              (resid 6 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 7 and (name n1 or name c6 or name c2)) or
              (resid 22 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 21 and (name n1 or name c6 or name c2)) or
              (resid 8 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 9 and (name n1 or name c6 or name c2)) or
              (resid 20 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 10 and (name n1 or name c6 or name c2)) or
              (resid 19 and (name n3)))
  weight=30.0
 end

group
  select= ((resid 12 and (name n1 or name c6 or name c2)) or
              (resid 17 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 16 and (name n1 or name c6 or name c2)) or
              (resid 13 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 14 and (name n1 or name c6 or name c2)) or
              (resid 15 and (name n3)))
  weight=20.0
 end

!--------------------------------------------------------------

group
  select= ((resid 28 and (name n1)) or
              (resid 1 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 2 and (name n1)) or
              (resid 27 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 26 and (name n1)) or
              (resid 3 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 24 and (name n1)) or
              (resid 5 and (name n3 or name c2 or name c4)))
  weight=30.0
 end

group
  select= ((resid 23 and (name n1)) or
              (resid 6 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 7 and (name n1)) or
              (resid 22 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 21 and (name n1)) or
              (resid 8 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 9 and (name n1)) or
              (resid 20 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 10 and (name n1)) or
              (resid 19 and (name n3 or name c2 or name c4)))
  weight=30.0
 end

group
  select= ((resid 12 and (name n1)) or
              (resid 17 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 16 and (name n1)) or
              (resid 13 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 14 and (name n1)) or
              (resid 15 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

end
!-----------------------------------------------------------------------------------------


RMSD: C-HgII-T_minor_duplex

  1 19
  2 20
  3 1
  4 2
  5 3
  6 4
  7 5
  8 6
  9 7
 10 8
 11 9
 12 10
 13 11
 14 12
 15 13
 16 14
 17 15
 18 16
 19 17
 20 18

RMSD table:

        1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  1       1.33 0.50 1.27 1.81 0.81 0.72 0.72 0.48 0.77 0.83 1.37 1.31 0.65 0.77 0.43 1.12 0.98 0.97 0.53
  2  1.23      1.04 0.53 0.74 0.72 0.99 0.97 1.11 0.77 0.72 0.49 0.76 0.86 0.65 0.98 0.48 0.41 0.60 1.53
  3  0.40 1.00      1.05 1.58 0.65 0.43 0.71 0.40 0.73 0.43 1.10 0.95 0.37 0.51 0.45 0.95 0.71 0.85 0.63
  4  1.29 0.48 1.11      0.66 0.62 1.00 1.01 1.05 0.70 0.81 0.37 0.72 0.84 0.74 0.93 0.34 0.50 0.64 1.59
  5  1.66 0.67 1.47 0.54      1.13 1.48 1.47 1.59 1.20 1.26 0.54 1.01 1.34 1.25 1.48 0.72 0.93 1.07 2.12
  6  0.85 0.64 0.73 0.58 0.95      0.53 0.46 0.50 0.42 0.63 0.76 0.92 0.63 0.46 0.46 0.58 0.42 0.41 1.10
  7  0.66 1.09 0.45 1.17 1.47 0.76      0.62 0.37 0.81 0.57 1.07 0.92 0.59 0.59 0.58 0.94 0.69 0.78 0.88
  8  0.68 0.86 0.63 0.93 1.25 0.43 0.65      0.49 0.51 0.83 1.14 1.29 0.85 0.57 0.43 0.90 0.69 0.52 0.89
  9  0.51 0.95 0.47 0.95 1.34 0.45 0.58 0.42      0.67 0.68 1.18 1.12 0.62 0.60 0.35 0.97 0.77 0.73 0.71
 10  0.71 0.68 0.62 0.77 1.11 0.47 0.81 0.47 0.56      0.71 0.84 1.10 0.68 0.43 0.41 0.58 0.49 0.43 1.05
 11  0.70 0.84 0.37 1.01 1.30 0.77 0.51 0.74 0.69 0.66      0.80 0.66 0.33 0.43 0.62 0.70 0.46 0.71 0.99
 12  1.16 0.43 0.93 0.45 0.64 0.62 1.00 0.90 0.93 0.66 0.77      0.62 0.85 0.83 1.07 0.42 0.53 0.82 1.66
 13  1.16 0.69 0.88 0.67 0.92 0.73 0.91 1.03 0.92 0.92 0.73 0.55      0.70 0.88 1.12 0.74 0.71 1.04 1.56
 14  0.58 0.80 0.36 0.89 1.24 0.62 0.64 0.70 0.53 0.56 0.41 0.70 0.64      0.50 0.55 0.71 0.57 0.79 0.93
 15  0.78 0.63 0.53 0.78 1.14 0.51 0.65 0.51 0.60 0.44 0.48 0.67 0.72 0.49      0.44 0.64 0.34 0.50 0.93
 16  0.61 0.81 0.56 0.83 1.22 0.41 0.76 0.37 0.38 0.44 0.71 0.83 0.90 0.52 0.46      0.82 0.64 0.60 0.72
 17  1.00 0.42 0.83 0.45 0.69 0.47 0.91 0.71 0.77 0.53 0.70 0.35 0.59 0.61 0.55 0.64      0.40 0.53 1.46
 18  0.95 0.50 0.71 0.61 0.89 0.46 0.74 0.58 0.71 0.54 0.58 0.50 0.60 0.59 0.31 0.55 0.37      0.45 1.21
 19  0.94 0.49 0.80 0.58 0.90 0.40 0.89 0.52 0.61 0.45 0.76 0.64 0.84 0.71 0.55 0.54 0.43 0.52      1.21
 20  0.47 1.43 0.54 1.58 1.94 1.14 0.79 0.88 0.80 0.95 0.80 1.41 1.40 0.83 0.91 0.86 1.29 1.13 1.18     

residues considered: 4,11,18,25

mean global bb    RMSD:  0.80 +/-  0.33 A  ( 0.33.. 2.12 A)
mean global heavy RMSD:  0.75 +/-  0.29 A  ( 0.31.. 1.94 A)

average RMSD of each structure to the rest:
structure   1 (bb   ): 0.91 +/-  0.37 A  ( 0.43.. 1.81 A)
              (heavy): 0.86 +/-  0.33 A  ( 0.40.. 1.66 A)
structure   2 (bb   ): 0.83 +/-  0.29 A  ( 0.41.. 1.53 A)
              (heavy): 0.77 +/-  0.28 A  ( 0.42.. 1.43 A)
structure   3 (bb   ): 0.74 +/-  0.31 A  ( 0.37.. 1.58 A)
              (heavy): 0.71 +/-  0.29 A  ( 0.36.. 1.47 A)
structure   4 (bb   ): 0.81 +/-  0.31 A  ( 0.34.. 1.59 A)
              (heavy): 0.82 +/-  0.31 A  ( 0.45.. 1.58 A)
structure   5 (bb   ): 1.23 +/-  0.41 A  ( 0.54.. 2.12 A)
              (heavy): 1.12 +/-  0.37 A  ( 0.54.. 1.94 A)
structure   6 (bb   ): 0.64 +/-  0.22 A  ( 0.41.. 1.13 A)
              (heavy): 0.63 +/-  0.20 A  ( 0.40.. 1.14 A)
structure   7 (bb   ): 0.77 +/-  0.27 A  ( 0.37.. 1.48 A)
              (heavy): 0.81 +/-  0.25 A  ( 0.45.. 1.47 A)
structure   8 (bb   ): 0.79 +/-  0.29 A  ( 0.43.. 1.47 A)
              (heavy): 0.70 +/-  0.23 A  ( 0.37.. 1.25 A)
structure   9 (bb   ): 0.76 +/-  0.33 A  ( 0.35.. 1.59 A)
              (heavy): 0.69 +/-  0.24 A  ( 0.38.. 1.34 A)
structure  10 (bb   ): 0.70 +/-  0.23 A  ( 0.41.. 1.20 A)
              (heavy): 0.65 +/-  0.19 A  ( 0.44.. 1.11 A)
structure  11 (bb   ): 0.69 +/-  0.21 A  ( 0.33.. 1.26 A)
              (heavy): 0.71 +/-  0.21 A  ( 0.37.. 1.30 A)
structure  12 (bb   ): 0.87 +/-  0.34 A  ( 0.37.. 1.66 A)
              (heavy): 0.74 +/-  0.27 A  ( 0.35.. 1.41 A)
structure  13 (bb   ): 0.95 +/-  0.25 A  ( 0.62.. 1.56 A)
              (heavy): 0.83 +/-  0.21 A  ( 0.55.. 1.40 A)
structure  14 (bb   ): 0.70 +/-  0.22 A  ( 0.33.. 1.34 A)
              (heavy): 0.65 +/-  0.20 A  ( 0.36.. 1.24 A)
structure  15 (bb   ): 0.63 +/-  0.22 A  ( 0.34.. 1.25 A)
              (heavy): 0.62 +/-  0.19 A  ( 0.31.. 1.14 A)
structure  16 (bb   ): 0.69 +/-  0.30 A  ( 0.35.. 1.48 A)
              (heavy): 0.65 +/-  0.22 A  ( 0.37.. 1.22 A)
structure  17 (bb   ): 0.74 +/-  0.28 A  ( 0.34.. 1.46 A)
              (heavy): 0.65 +/-  0.24 A  ( 0.35.. 1.29 A)
structure  18 (bb   ): 0.63 +/-  0.23 A  ( 0.34.. 1.21 A)
              (heavy): 0.62 +/-  0.20 A  ( 0.31.. 1.13 A)
structure  19 (bb   ): 0.72 +/-  0.23 A  ( 0.41.. 1.21 A)
              (heavy): 0.67 +/-  0.21 A  ( 0.40.. 1.18 A)
structure  20 (bb   ): 1.14 +/-  0.42 A  ( 0.53.. 2.12 A)
              (heavy): 1.07 +/-  0.37 A  ( 0.47.. 1.94 A)

residue number
average global displacements: bb, heavy, heavysc
average local RMSDs (3 residues): bb
average local displacements: bb, heavy, heavysc
(relative to mean)
residue name
  1   CYT
  2   GUA
  3   THY
  4   CYT+
  5   THY
  6   CYT+
  7   ADE
  8   THY
  9   GUA
 10   ADE
 11   THY+
 12   ADE
 13   CYT+
 14   GUA
 15   CYT+
 16   GUA
 17   THY+
 18   CYT+
 19   THY+
 20   CYT+
 21   ADE
 22   THY+
 23   GUA
 24   ADE
 25   THY+
 26   ADE
 27   CYT+
 28   GUA
 29   HG
 30   HG

 !-----------------------------------------------------------------------------------------
 
 RMSD: overall_and_helix_minor_duplex
 
 
   1 19
  2 20
  3 1
  4 2
  5 3
  6 4
  7 5
  8 6
  9 7
 10 8
 11 9
 12 10
 13 11
 14 12
 15 13
 16 14
 17 15
 18 16
 19 17
 20 18

RMSD table:

        1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  1       2.21 1.70 2.21 2.50 1.70 1.63 1.69 1.55 1.56 1.70 2.02 2.02 1.54 1.62 1.61 1.74 1.88 2.11 1.50
  2  2.02      1.31 0.56 0.97 0.92 1.18 1.11 1.38 1.41 1.28 0.74 1.02 1.48 1.71 1.07 1.47 1.35 0.66 2.00
  3  1.51 1.17      1.38 1.94 1.05 0.56 1.00 0.99 1.34 0.85 1.32 1.32 0.83 1.42 0.85 1.52 1.56 1.48 1.14
  4  2.06 0.54 1.30      0.83 0.92 1.30 1.28 1.37 1.32 1.25 0.60 0.90 1.46 1.61 1.09 1.31 1.24 0.68 2.03
  5  2.29 0.95 1.76 0.77      1.34 1.76 1.75 1.79 1.61 1.64 0.78 0.98 1.82 1.91 1.62 1.35 1.44 1.09 2.49
  6  1.54 0.85 0.89 0.91 1.25      0.82 0.65 0.61 0.69 0.98 0.77 1.03 1.02 1.04 0.46 1.02 0.86 0.76 1.34
  7  1.47 1.14 0.51 1.32 1.68 0.75      0.77 0.77 1.16 0.79 1.18 1.15 0.84 1.22 0.77 1.29 1.37 1.29 1.15
  8  1.54 1.00 0.83 1.21 1.62 0.59 0.70      0.78 0.99 1.18 1.24 1.47 1.23 1.29 0.58 1.40 1.26 0.99 1.23
  9  1.40 1.25 0.84 1.30 1.62 0.54 0.69 0.71      0.73 0.88 1.17 1.25 0.92 0.77 0.59 1.07 0.90 1.23 1.03
 10  1.44 1.23 1.12 1.17 1.41 0.60 1.03 0.91 0.66      1.04 1.06 1.24 0.98 0.66 0.73 0.76 0.67 1.19 1.17
 11  1.52 1.20 0.76 1.24 1.52 0.86 0.74 1.06 0.79 0.88      0.98 0.88 0.57 0.95 0.91 0.99 1.04 1.42 1.23
 12  1.85 0.67 1.19 0.57 0.73 0.74 1.13 1.14 1.08 0.91 0.93      0.60 1.16 1.31 0.99 0.94 0.94 0.86 1.83
 13  1.82 0.95 1.19 0.88 0.89 0.90 1.09 1.31 1.10 1.04 0.83 0.56      1.07 1.32 1.22 0.90 1.10 1.21 1.87
 14  1.40 1.34 0.78 1.35 1.65 0.89 0.83 1.11 0.83 0.81 0.56 1.05 0.98      1.02 0.94 1.05 1.22 1.60 1.04
 15  1.47 1.50 1.20 1.45 1.66 0.87 1.07 1.15 0.69 0.58 0.81 1.16 1.11 0.88      1.03 0.81 0.75 1.53 1.15
 16  1.44 1.02 0.72 1.08 1.51 0.45 0.70 0.57 0.53 0.65 0.79 0.94 1.09 0.80 0.87      1.16 0.99 0.93 1.09
 17  1.58 1.37 1.34 1.26 1.24 0.93 1.18 1.28 0.95 0.72 0.88 0.91 0.79 0.93 0.71 1.04      0.83 1.35 1.60
 18  1.73 1.23 1.37 1.15 1.25 0.79 1.26 1.17 0.86 0.65 0.93 0.86 0.94 1.11 0.67 0.93 0.76      1.18 1.55
 19  1.90 0.56 1.26 0.62 0.99 0.68 1.17 0.89 1.08 1.01 1.23 0.73 1.03 1.37 1.30 0.88 1.21 1.03      1.92
 20  1.33 1.79 0.96 1.87 2.24 1.17 0.96 1.08 0.90 1.05 1.04 1.65 1.64 0.93 1.01 0.94 1.40 1.41 1.68     

mean global bb    RMSD:  1.21 +/-  0.40 A  ( 0.46.. 2.50 A)
mean global heavy RMSD:  1.09 +/-  0.36 A  ( 0.45.. 2.29 A)

average RMSD of each structure to the rest:
structure   1 (bb   ): 1.82 +/-  0.28 A  ( 1.50.. 2.50 A)
              (heavy): 1.65 +/-  0.27 A  ( 1.33.. 2.29 A)
structure   2 (bb   ): 1.25 +/-  0.42 A  ( 0.56.. 2.21 A)
              (heavy): 1.15 +/-  0.38 A  ( 0.54.. 2.02 A)
structure   3 (bb   ): 1.24 +/-  0.34 A  ( 0.56.. 1.94 A)
              (heavy): 1.09 +/-  0.31 A  ( 0.51.. 1.76 A)
structure   4 (bb   ): 1.23 +/-  0.43 A  ( 0.56.. 2.21 A)
              (heavy): 1.16 +/-  0.40 A  ( 0.54.. 2.06 A)
structure   5 (bb   ): 1.56 +/-  0.49 A  ( 0.78.. 2.50 A)
              (heavy): 1.42 +/-  0.44 A  ( 0.73.. 2.29 A)
structure   6 (bb   ): 0.95 +/-  0.29 A  ( 0.46.. 1.70 A)
              (heavy): 0.85 +/-  0.26 A  ( 0.45.. 1.54 A)
structure   7 (bb   ): 1.11 +/-  0.31 A  ( 0.56.. 1.76 A)
              (heavy): 1.02 +/-  0.30 A  ( 0.51.. 1.68 A)
structure   8 (bb   ): 1.15 +/-  0.32 A  ( 0.58.. 1.75 A)
              (heavy): 1.05 +/-  0.29 A  ( 0.57.. 1.62 A)
structure   9 (bb   ): 1.04 +/-  0.32 A  ( 0.59.. 1.79 A)
              (heavy): 0.94 +/-  0.30 A  ( 0.53.. 1.62 A)
structure  10 (bb   ): 1.07 +/-  0.30 A  ( 0.66.. 1.61 A)
              (heavy): 0.94 +/-  0.26 A  ( 0.58.. 1.44 A)
structure  11 (bb   ): 1.08 +/-  0.29 A  ( 0.57.. 1.70 A)
              (heavy): 0.98 +/-  0.26 A  ( 0.56.. 1.52 A)
structure  12 (bb   ): 1.08 +/-  0.37 A  ( 0.60.. 2.02 A)
              (heavy): 0.99 +/-  0.33 A  ( 0.56.. 1.85 A)
structure  13 (bb   ): 1.19 +/-  0.33 A  ( 0.60.. 2.02 A)
              (heavy): 1.06 +/-  0.29 A  ( 0.56.. 1.82 A)
structure  14 (bb   ): 1.15 +/-  0.31 A  ( 0.57.. 1.82 A)
              (heavy): 1.03 +/-  0.28 A  ( 0.56.. 1.65 A)
structure  15 (bb   ): 1.22 +/-  0.36 A  ( 0.66.. 1.91 A)
              (heavy): 1.06 +/-  0.32 A  ( 0.58.. 1.66 A)
structure  16 (bb   ): 0.98 +/-  0.30 A  ( 0.46.. 1.62 A)
              (heavy): 0.89 +/-  0.28 A  ( 0.45.. 1.51 A)
structure  17 (bb   ): 1.19 +/-  0.29 A  ( 0.76.. 1.74 A)
              (heavy): 1.08 +/-  0.26 A  ( 0.71.. 1.58 A)
structure  18 (bb   ): 1.17 +/-  0.32 A  ( 0.67.. 1.88 A)
              (heavy): 1.06 +/-  0.28 A  ( 0.65.. 1.73 A)
structure  19 (bb   ): 1.23 +/-  0.39 A  ( 0.66.. 2.11 A)
              (heavy): 1.09 +/-  0.34 A  ( 0.56.. 1.90 A)
structure  20 (bb   ): 1.49 +/-  0.42 A  ( 1.03.. 2.49 A)
              (heavy): 1.32 +/-  0.39 A  ( 0.90.. 2.24 A)

residue number
average global displacements: bb, heavy, heavysc
average local RMSDs (3 residues): bb
average local displacements: bb, heavy, heavysc
(relative to mean)
residue name
  1   CYT
  2   GUA
  3   THY
  4   CYT+
  5   THY
  6   CYT+
  7   ADE
  8   THY
  9   GUA
 10   ADE
 11   THY+
 12   ADE
 13   CYT+
 14   GUA
 15   CYT+
 16   GUA
 17   THY+
 18   CYT+
 19   THY+
 20   CYT+
 21   ADE
 22   THY+
 23   GUA
 24   ADE
 25   THY+
 26   ADE
 27   CYT+
 28   GUA
 29   HG
 30   HG

 !---------------------------------------------------------------------------------------------------------------------------------
 
 !=================================================================================================================================
 
 !---------------------------------------------------------------------------------------------------------------------------------
 
 
 APO DUPLEX
 
 {C1}
assign (residue 1 and name H1') (residue 1 and name H5)     5.00  2.00  1.00 
assign (residue 1 and name H1') (residue 1 and name H6)     3.80  2.00  0.70 
assign (residue 1 and name H1') (residue 2 and name H1')    5.00  2.00  1.00 
assign (residue 1 and name H1') (residue 2 and name H3')    6.00  2.00  1.00 
assign (residue 1 and name H1') (residue 2 and name H4')    5.00  2.00  1.00 
assign (residue 1 and name H1') (residue 2 and name H5')    3.80  2.00  0.70 
assign (residue 1 and name H1') (residue 2 and name H5'')   5.00  2.00  1.00 
assign (residue 1 and name H1') (residue 2 and name H8)     3.80  2.00  0.70 
assign (residue 1 and name H2')  (residue 1 and name H5)    3.80  2.00  0.70 
assign (residue 1 and name H2')  (residue 1 and name H6)    2.50  0.70  0.50 
assign (residue 1 and name H2')  (residue 2 and name H1')   6.00  2.00  1.00 
assign (residue 1 and name H2')  (residue 2 and name H2')   6.00  2.00  1.00 
assign (residue 1 and name H2')  (residue 2 and name H3')   5.00  2.00  1.00 
assign (residue 1 and name H2')  (residue 2 and name H4')   5.00  2.00  1.00 
assign (residue 1 and name H2')  (residue 2 and name H8)    3.80  2.00  0.70 
assign (residue 1 and name H2'')  (residue 1 and name H5)   5.00  2.00  1.00 
assign (residue 1 and name H2'')  (residue 1 and name H6)   3.80  2.00  0.70 
assign (residue 1 and name H2'')  (residue 2 and name H1')  5.00  2.00  1.00 
assign (residue 1 and name H2'')  (residue 2 and name H2')  5.00  2.00  1.00 
assign (residue 1 and name H2'')  (residue 2 and name H2'') 6.00  2.00  1.00 
assign (residue 1 and name H2'')  (residue 2 and name H3')  5.00  2.00  1.00 
assign (residue 1 and name H2'')  (residue 2 and name H4')  3.80  2.00  0.70 
assign (residue 1 and name H2'')  (residue 2 and name H8)   2.50  0.70  0.50 
assign (residue 1 and name H3')  (residue 1 and name H5)    6.00  2.00  1.00 
assign (residue 1 and name H3')  (residue 1 and name H6)    3.80  2.00  1.00 
assign (residue 1 and name H3')  (residue 2 and name H2')   6.00  2.00  1.00 
assign (residue 1 and name H3')  (residue 2 and name H8)    3.80  2.00  1.00 
assign (residue 1 and name H4')  (residue 1 and name H5)    6.00  2.00  1.00 
assign (residue 1 and name H4')  (residue 1 and name H6)    5.00  2.00  1.00 
assign (residue 1 and name H4')  (residue 2 and name H8)    5.00  2.00  1.00 
assign (residue 1 and name H5') (residue 1 and name H5)     5.00  2.00  1.00 
assign (residue 1 and name H5') (residue 1 and name H6)     3.80  2.00  1.00 
assign (residue 1 and name H5') (residue 2 and name H8)     6.00  2.00  1.00 
assign (residue 1 and name H5) (residue 2 and name H8)      6.00  2.00  1.00 
assign (residue 1 and name H6) (residue 2 and name H8)      5.00  2.00  1.00 
assign (residue 1 and name H41) (residue 2 and name H1)     3.80  2.00  0.70 
assign (residue 1 and name H41) (residue 28 and name H1)    3.80  2.00  0.70  
assign (residue 1 and name H42) (residue 2 and name H1)     3.80  2.00  0.70 
assign (residue 1 and name H42) (residue 28 and name H1)    3.80  2.00  0.70 
assign (residue 1 and name H5)  (residue 2 and name H1)     5.00  2.00  1.00 
assign (residue 1 and name H5)  (residue 28 and name H1)    5.00  2.00  1.00 
assign (residue 1 and name H6)  (residue 2 and name H1)     6.00  2.00  1.00 
assign (residue 1 and name H1') (residue 2 and name H1)     5.00  2.00  1.00 

!------

{G2}
assign (residue 2 and name H1') (residue 2 and name H8)     3.80  2.00  0.70 
assign (residue 2 and name H1') (residue 3 and name H3')    6.00  2.00  1.00 
assign (residue 2 and name H1') (residue 3 and name H4')    5.00  2.00  1.00 
assign (residue 2 and name H1') (residue 3 and name H5')    3.80  2.00  0.70 
assign (residue 2 and name H1') (residue 3 and name H51)    3.80  2.00  0.70 
assign (residue 2 and name H1') (residue 3 and name H6)     3.80  2.00  0.70 
assign (residue 2 and name H2') (residue 2 and name H8)     2.50  0.70  0.50 
assign (residue 2 and name H2') (residue 3 and name H3')    6.00  2.00  1.00 
assign (residue 2 and name H2') (residue 3 and name H51)    3.80  2.00  0.70 
assign (residue 2 and name H2') (residue 3 and name H6)     3.80  2.00  0.70 
assign (residue 2 and name H2'') (residue 2 and name H8)    3.80  2.00  0.70 
assign (residue 2 and name H2'') (residue 3 and name H3')   5.00  2.00  1.00 
assign (residue 2 and name H2'') (residue 3 and name H51)   3.80  2.00  0.70 
assign (residue 2 and name H2'') (residue 3 and name H6)    3.80  2.00  0.70 
assign (residue 2 and name H3') (residue 2 and name H8)     3.80  2.00  0.70 
assign (residue 2 and name H3') (residue 3 and name H2')    6.00  2.00  1.00 
assign (residue 2 and name H3') (residue 3 and name H51)    5.00  2.00  1.00 
assign (residue 2 and name H3') (residue 3 and name H6)     5.00  2.00  1.00 
assign (residue 2 and name H4') (residue 2 and name H8)     5.00  2.00  1.00 
assign (residue 2 and name H4') (residue 3 and name H2')    6.00  2.00  1.00 
assign (residue 2 and name H4') (residue 3 and name H51)    5.00  2.00  1.00 
assign (residue 2 and name H4') (residue 3 and name H6)     6.00  2.00  1.00 
assign (residue 2 and name H5') (residue 2 and name H8)     5.00  2.00  1.00 
assign (residue 2 and name H5'') (residue 2 and name H8)    5.00  2.00  1.00  
assign (residue 2 and name H5'') (residue 3 and name H51)   6.00  2.00  1.00 
assign (residue 2 and name H8) (residue 3 and name H51)     3.80  2.00  0.70 
assign (residue 2 and name H8) (residue 3 and name H6)      3.80  2.00  0.70 
assign (residue 2 and name H1)  (residue 3 and name H3)     3.80  2.00  0.70 
assign (residue 2 and name H1)  (residue 3 and name H51)    6.00  2.00  1.00 
assign (residue 2 and name H1)  (residue 3 and name H1')    5.00  2.00  1.00 
assign (residue 2 and name H1)  (residue 26 and name H2)    3.80  2.00  0.70 
assign (residue 2 and name H1)  (residue 27 and name H1')   5.00  2.00  1.00 
assign (residue 2 and name H1)  (residue 27 and name H41)   2.50  0.70  0.50 
assign (residue 2 and name H1)  (residue 27 and name H42)   3.80  2.00  0.70 
assign (residue 2 and name H1)  (residue 27 and name H5)    5.00  2.00  1.00 
assign (residue 2 and name H1)  (residue 27 and name H6)    6.00  2.00  1.00 
assign (residue 2 and name H1)  (residue 28 and name H1)    3.80  2.00  0.70 
assign (residue 2 and name H1)  (residue 28 and name H1')   6.00  2.00  1.00 

!------

{T3} 
assign (residue 3 and name H1') (residue 3 and name H51)    5.00  2.00  1.00 
assign (residue 3 and name H1') (residue 3 and name H6)     3.80  2.00  0.70 
assign (residue 3 and name H1') (residue 4 and name H1')    6.00  2.00  1.00
assign (residue 3 and name H1') (residue 4 and name H2')    6.00  2.00  1.00 
assign (residue 3 and name H1') (residue 4 and name H3')    6.00  2.00  1.00 
assign (residue 3 and name H1') (residue 4 and name H4')    5.00  2.00  1.00 
assign (residue 3 and name H1') (residue 4 and name H5)     3.80  2.00  0.70 
assign (residue 3 and name H1') (residue 4 and name H6)     3.80  2.00  0.70 
assign (residue 3 and name H1') (residue 26 and name H2)    6.00  2.00  1.00 
assign (residue 3 and name H2') (residue 3 and name H51)    3.80  2.00  0.70 
assign (residue 3 and name H2') (residue 3 and name H6)     2.50  0.70  0.50 
assign (residue 3 and name H2') (residue 4 and name H1')    6.00  2.00  1.00 
assign (residue 3 and name H2') (residue 4 and name H5)     3.80  2.00  0.70 
assign (residue 3 and name H2') (residue 4 and name H6)     3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 3 and name H51)   5.00  2.00  1.00 
assign (residue 3 and name H2'') (residue 3 and name H6)    3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 4 and name H5)    3.80  2.00  0.70 
assign (residue 3 and name H2'') (residue 4 and name H6)    2.50  0.70  0.50 
assign (residue 3 and name H3') (residue 3 and name H51)    5.00  2.00  1.00 
assign (residue 3 and name H3') (residue 3 and name H6)     3.80  2.00  0.70 
assign (residue 3 and name H3') (residue 4 and name H5)     5.00  2.00  1.00 
assign (residue 3 and name H3') (residue 4 and name H6)     5.00  2.00  1.00 
assign (residue 3 and name H4') (residue 3 and name H51)    6.00  2.00  1.00 
assign (residue 3 and name H4') (residue 3 and name H6)     5.00  2.00  1.00 
assign (residue 3 and name H4') (residue 4 and name H5)     6.00  2.00  1.00 
assign (residue 3 and name H4') (residue 4 and name H6)     6.00  2.00  1.00 
assign (residue 3 and name H5') (residue 3 and name H51)    6.00  2.00  1.00 
assign (residue 3 and name H5') (residue 3 and name H6)     5.00  2.00  1.00 
assign (residue 3 and name H5') (residue 4 and name H6)     6.00  2.00  1.00 
assign (residue 3 and name H5'') (residue 3 and name H51)   6.00  2.00  1.00 
assign (residue 3 and name H5'') (residue 3 and name H6)    5.00  2.00  1.00 
assign (residue 3 and name H5'') (residue 4 and name H6)    6.00  2.00  1.00 
assign (residue 3 and name H51) (residue 4 and name H5)     5.00  2.00  1.00 
assign (residue 3 and name H51) (residue 4 and name H6)     6.00  2.00  1.00 
assign (residue 3 and name H6) (residue 4 and name H5)      3.80  2.00  0.70 
assign (residue 3 and name H6) (residue 4 and name H6)      3.80  2.00  0.70 
assign (residue 3 and name H3)  (residue 3 and name H1')    5.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 4 and name H41)    5.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 4 and name H42)    5.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 4 and name H5)     6.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 4 and name H1')    5.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 25 and name H3)    6.00  2.00  1.00
assign (residue 3 and name H3)  (residue 25 and name H51)   5.00  2.00  1.00
assign (residue 3 and name H3)  (residue 26 and name H2)    2.50  0.70  0.50 
assign (residue 3 and name H3)  (residue 26 and name H61)   3.80  2.00  0.70 
assign (residue 3 and name H3)  (residue 26 and name H8)    6.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 27 and name H41)   6.00  2.00  1.00 
assign (residue 3 and name H3)  (residue 27 and name H42)   6.00  2.00  1.00 
assign (residue 3 and name H6)  (residue 4 and name H42)    6.00  2.00  1.00 

!-----------

{C4}
assign (residue 4 and name H1') (residue 4 and name H5)     5.00  2.00  1.00 
assign (residue 4 and name H1') (residue 4 and name H6)     3.80  2.00  0.70 
assign (residue 4 and name H1') (residue 5 and name H1')    6.00  2.00  1.00 
assign (residue 4 and name H1') (residue 5 and name H3')    6.00  2.00  1.00 
assign (residue 4 and name H1') (residue 5 and name H4')    5.00  2.00  1.00 
assign (residue 4 and name H1') (residue 5 and name H51)    3.80  2.00  0.70 
assign (residue 4 and name H1') (residue 5 and name H6)     3.80  2.00  0.70 
assign (residue 4 and name H1') (residue 26 and name H2)    3.80  2.00  0.70 
assign (residue 4 and name H2') (residue 4 and name H5)     3.80  2.00  0.70 
assign (residue 4 and name H2') (residue 4 and name H6)     2.50  0.70  0.50 
assign (residue 4 and name H2') (residue 5 and name H1')    6.00  2.00  1.00 
assign (residue 4 and name H2') (residue 5 and name H51)    3.80  2.00  0.70 
assign (residue 4 and name H2') (residue 5 and name H6)     3.80  2.00  0.70 
assign (residue 4 and name H2'') (residue 4 and name H5)    5.00  2.00	1.00 
assign (residue 4 and name H2'') (residue 4 and name H6)    3.80  2.00  0.70 
assign (residue 4 and name H2'') (residue 5 and name H3')   6.00  2.00  1.00 
assign (residue 4 and name H2'') (residue 5 and name H51)   3.80  2.00  0.70 
assign (residue 4 and name H2'') (residue 5 and name H6)    3.80  2.00  0.70 
assign (residue 4 and name H3') (residue 4 and name H5)     5.00  2.00  1.00 
assign (residue 4 and name H3') (residue 4 and name H6)     3.80  2.00  0.70 
assign (residue 4 and name H3') (residue 5 and name H51)    3.80  2.00  0.70 
assign (residue 4 and name H3') (residue 5 and name H6)     5.00  2.00  1.00 
assign (residue 4 and name H4') (residue 4 and name H5)     6.00  2.00  1.00 
assign (residue 4 and name H4') (residue 4 and name H6)     5.00  2.00  1.00 
assign (residue 4 and name H3') (residue 5 and name H51)    5.00  2.00  1.00 
assign (residue 4 and name H4') (residue 5 and name H6)     5.00  2.00  1.00 
assign (residue 4 and name H5') (residue 4 and name H6)     5.00  2.00  1.00 
assign (residue 4 and name H5'') (residue 4 and name H6)    5.00  2.00  1.00 
assign (residue 4 and name H5) (residue 5 and name H51)     3.80  2.00  0.70 
assign (residue 4 and name H5) (residue 5 and name H6)      6.00  2.00  1.00 
assign (residue 4 and name H5) (residue 26 and name H2)     6.00  2.00  1.00 
assign (residue 4 and name H6) (residue 5 and name H51)     3.80  2.00  0.70 
assign (residue 4 and name H6) (residue 5 and name H6)      5.00  2.00  1.00 
assign (residue 4 and name H6) (residue 26 and name H2)     6.00  2.00  1.00 
assign (residue 4 and name H41) (residue 5 and name H3)     5.00  2.00  1.00 
assign (residue 4 and name H41) (residue 25 and name H3)    6.00  2.00  1.00 
assign (residue 4 and name H42) (residue 5 and name H3)     5.00  2.00  1.00 
assign (residue 4 and name H42) (residue 25 and name H3)    6.00  2.00  1.00 
assign (residue 4 and name H5) (residue 5 and name H3)      6.00  2.00  1.00 

!------

{T5}
assign (residue 5 and name H1') (residue 5 and name H51)    5.00  2.00  1.00 
assign (residue 5 and name H1') (residue 5 and name H6)     3.80  2.00  0.70 
assign (residue 5 and name H1') (residue 6 and name H2')    6.00  2.00  1.00 
assign (residue 5 and name H1') (residue 6 and name H3')    5.00  2.00  1.00 
assign (residue 5 and name H1') (residue 6 and name H4')    5.00  2.00  1.00 
assign (residue 5 and name H1') (residue 6 and name H5)     5.00  2.00  1.00 
assign (residue 5 and name H1') (residue 6 and name H6)     3.80  2.00  0.70 
assign (residue 5 and name H2') (residue 5 and name H51)    3.80  2.00  0.70 
assign (residue 5 and name H2') (residue 5 and name H6)     2.50  0.70  0.50 
assign (residue 5 and name H2') (residue 6 and name H5)     5.00  2.00  1.00 
assign (residue 5 and name H2') (residue 6 and name H6)     3.80  2.00  0.70 
assign (residue 5 and name H2'') (residue 5 and name H51)   5.00  2.00  1.00 
assign (residue 5 and name H2'') (residue 5 and name H6)    3.80  2.00  0.70 
assign (residue 5 and name H2'') (residue 6 and name H5)    3.80  2.00  0.70 
assign (residue 5 and name H2'') (residue 6 and name H6)    3.80  2.00  0.70 
assign (residue 5 and name H3') (residue 5 and name H51)    5.00  2.00  1.00 
assign (residue 5 and name H3') (residue 5 and name H6)     3.80  2.00  0.70 
assign (residue 5 and name H3') (residue 6 and name H2')    6.00  2.00  1.00 
assign (residue 5 and name H3') (residue 6 and name H5)     5.00  2.00  1.00 
assign (residue 5 and name H3') (residue 6 and name H6)     5.00  2.00  1.00 
assign (residue 5 and name H4') (residue 5 and name H51)    6.00  2.00  1.00 
assign (residue 5 and name H4') (residue 5 and name H6)     5.00  2.00  1.00 
assign (residue 5 and name H4') (residue 6 and name H5)     6.00  2.00  1.00 
assign (residue 5 and name H4') (residue 6 and name H6)     5.00  2.00  1.00 
assign (residue 5 and name H5') (residue 5 and name H51)    6.00  2.00  1.00 
assign (residue 5 and name H5') (residue 5 and name H6)     5.00  2.00  1.00 
assign (residue 5 and name H5'') (residue 5 and name H51)   6.00  2.00  1.00 
assign (residue 5 and name H5'') (residue 5 and name H6)    5.00  2.00  1.00 
assign (residue 5 and name H51) (residue 6 and name H5)     3.80  2.00  0.70 
assign (residue 5 and name H6) (residue 6 and name H5)      3.80  2.00  0.70 
assign (residue 5 and name H6) (residue 6 and name H6)      5.00  2.00  1.00 
assign (residue 5 and name H3) (residue 5 and name H1')     5.00  2.00  1.00 
assign (residue 5 and name H3) (residue 6 and name H41)     5.00  2.00  1.00 
assign (residue 5 and name H3) (residue 6 and name H42)     5.00  2.00  1.00 
assign (residue 5 and name H3) (residue 23 and name H1)     5.00  2.00  1.00 
assign (residue 5 and name H3) (residue 24 and name H2)     2.50  0.70  0.50 
assign (residue 5 and name H3) (residue 24 and name H61)    3.80  2.00  0.70 
assign (residue 5 and name H3) (residue 24 and name H62)    3.80  2.00  0.70 
assign (residue 5 and name H3) (residue 25 and name H3)     6.00  2.00  1.00 

!-----------

{C6}
assign (residue 6 and name H1') (residue 6 and name H5)     5.00  2.00  1.00 
assign (residue 6 and name H1') (residue 6 and name H6)     3.80  2.00  0.70 
assign (residue 6 and name H1') (residue 7 and name H1')    6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 7 and name H2')    6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 7 and name H2'')   6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 7 and name H3')    6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 7 and name H4')    6.00  2.00  1.00 
assign (residue 6 and name H1') (residue 7 and name H5'')   5.00  2.00  1.00 
assign (residue 6 and name H1') (residue 7 and name H8)     3.80  2.00  0.70 
assign (residue 6 and name H2') (residue 6 and name H5)     5.00  2.00  1.00 
assign (residue 6 and name H2') (residue 6 and name H6)     2.50  0.70  0.50 
assign (residue 6 and name H2') (residue 7 and name H3')    6.00  2.00  1.00 
assign (residue 6 and name H2') (residue 7 and name H4')    6.00  2.00  1.00 
assign (residue 6 and name H2') (residue 7 and name H8)     3.80  2.00  0.70 
assign (residue 6 and name H2'') (residue 6 and name H6)    3.80  2.00  0.70 
assign (residue 6 and name H2'') (residue 7 and name H3')   6.00  2.00  1.00 
assign (residue 6 and name H2'') (residue 7 and name H2'')  6.00  2.00  1.00 
assign (residue 6 and name H2'') (residue 7 and name H8)    3.80  2.00  0.70 
assign (residue 6 and name H3') (residue 6 and name H5)     6.00  2.00  1.00 
assign (residue 6 and name H3') (residue 6 and name H6)     3.80  2.00  0.70 
assign (residue 6 and name H3') (residue 7 and name H2')    6.00  2.00  1.00 
assign (residue 6 and name H3') (residue 7 and name H8)     5.00  2.00  1.00 
assign (residue 6 and name H4') (residue 6 and name H5)     6.00  2.00  1.00 
assign (residue 6 and name H4') (residue 6 and name H6)     5.00  2.00  1.00 
assign (residue 6 and name H4') (residue 7 and name H8)     5.00  2.00  1.00 
assign (residue 6 and name H5) (residue 7 and name H8)      6.00  2.00  1.00 
assign (residue 6 and name H6) (residue 7 and name H8)      5.00  2.00  1.00 
assign (residue 6 and name H41) (residue 7 and name H62)    5.00  2.00  1.00 
assign (residue 6 and name H41) (residue 22 and name H3)    3.80  2.00  0.70 
assign (residue 6 and name H41) (residue 23 and name H1)    2.50  0.70  0.50 
assign (residue 6 and name H41) (residue 24 and name H2)    5.00  2.00  1.00 
assign (residue 6 and name H42) (residue 7 and name H61)    6.00  2.00  1.00 
assign (residue 6 and name H42) (residue 22 and name H3)    5.00  2.00  1.00 
assign (residue 6 and name H42) (residue 23 and name H1)    3.80  2.00  0.70 
assign (residue 6 and name H5) (residue 22 and name H3)     6.00  2.00  1.00 
assign (residue 6 and name H5) (residue 23 and name H1)     3.80  2.00  0.70 

!-----

{A7}
assign (residue 7 and name H1') (residue 7 and name H2)     5.00  2.00  1.00 
assign (residue 7 and name H1') (residue 7 and name H8)     3.80  2.00  0.70 
assign (residue 7 and name H1') (residue 8 and name H1')    5.00  2.00  1.00 
assign (residue 7 and name H1') (residue 8 and name H4')    5.00  2.00  1.00 
assign (residue 7 and name H1') (residue 8 and name H5')    3.80  2.00  0.70 
assign (residue 7 and name H1') (residue 8 and name H5'')   5.00  2.00  1.00 
assign (residue 7 and name H1') (residue 8 and name H51)    3.80  2.00  0.70 
assign (residue 7 and name H1') (residue 8 and name H6)     3.80  2.00  0.70 
assign (residue 7 and name H2') (residue 7 and name H8)     2.50  0.70  0.50 
assign (residue 7 and name H2') (residue 8 and name H4')    6.00  2.00  1.00 
assign (residue 7 and name H2') (residue 8 and name H5')    5.00  2.00  1.00 
assign (residue 7 and name H2') (residue 8 and name H5'')   5.00  2.00  1.00 
assign (residue 7 and name H2') (residue 8 and name H51)    3.80  2.00  0.70 
assign (residue 7 and name H2') (residue 8 and name H6)     3.80  2.00  0.70 
assign (residue 7 and name H2'') (residue 7 and name H8)    3.80  2.00  0.70 
assign (residue 7 and name H2'') (residue 8 and name H2'')  6.00  2.00  1.00 
assign (residue 7 and name H2'') (residue 8 and name H3')   5.00  2.00  1.00 
assign (residue 7 and name H2'') (residue 8 and name H4')   5.00  2.00  1.00 
assign (residue 7 and name H2'') (residue 8 and name H5')   5.00  2.00  1.00 
assign (residue 7 and name H2'') (residue 8 and name H5'')  5.00  2.00  1.00 
assign (residue 7 and name H2'') (residue 8 and name H51)   3.80  2.00  0.70 
assign (residue 7 and name H2'') (residue 8 and name H6)    3.80  2.00  0.70 
assign (residue 7 and name H3') (residue 7 and name H8)     5.00  2.00  1.00 
assign (residue 7 and name H3') (residue 8 and name H51)    3.80  2.00  0.70 
assign (residue 7 and name H3') (residue 8 and name H6)     5.00  2.00  1.00 
assign (residue 7 and name H4') (residue 7 and name H8)     5.00  2.00  1.00 
assign (residue 7 and name H4') (residue 8 and name H51)    6.00  2.00  1.00 
assign (residue 7 and name H4') (residue 8 and name H6)     6.00  2.00  1.00 
assign (residue 7 and name H5') (residue 7 and name H8)     5.00  2.00  1.00 
assign (residue 7 and name H5') (residue 8 and name H51)    6.00  2.00  1.00 
assign (residue 7 and name H5') (residue 8 and name H6)     6.00  2.00  1.00 
assign (residue 7 and name H5'') (residue 7 and name H8)    5.00  2.00  1.00 
assign (residue 7 and name H2) (residue 8 and name H1')     5.00  2.00  1.00 
assign (residue 7 and name H2) (residue 8 and name H51)     6.00  2.00  1.00 
assign (residue 7 and name H2) (residue 8 and name H6)      6.00  2.00  1.00 
assign (residue 7 and name H2) (residue 23 and name H1')    6.00  2.00  1.00 
assign (residue 7 and name H8) (residue 8 and name H51)     3.80  2.00  0.70 
assign (residue 7 and name H8) (residue 8 and name H6)      3.80  2.00  0.70 
assign (residue 7 and name H2) (residue  8 and name H3)     5.00  2.00  1.00 
assign (residue 7 and name H2) (residue 22 and name H3)     2.50  0.70  0.50 
assign (residue 7 and name H2) (residue 23 and name H1)     3.80  2.00  0.70 
assign (residue 7 and name H61) (residue  8 and name H3)    5.00  2.00  1.00 
assign (residue 7 and name H61) (residue 22 and name H3)    2.50  0.70  0.50 
assign (residue 7 and name H61) (residue 23 and name H1)    3.80  2.00  0.70 
assign (residue 7 and name H62) (residue  8 and name H3)    5.00  2.00  1.00 
assign (residue 7 and name H62) (residue 22 and name H3)    5.00  2.00  1.00 
assign (residue 7 and name H62) (residue 23 and name H1)    5.00  2.00  1.00 

!------

{T8}
assign (residue 8 and name H1') (residue 8 and name H51)    5.00  2.00  1.00 
assign (residue 8 and name H1') (residue 8 and name H6)     3.80  2.00  0.70 
assign (residue 8 and name H1') (residue 9 and name H2')    6.00  2.00  1.00 
assign (residue 8 and name H1') (residue 9 and name H2'')   6.00  2.00  1.00 
assign (residue 8 and name H1') (residue 9 and name H4')    5.00  2.00  1.00 
assign (residue 8 and name H1') (residue 9 and name H5')    3.80  2.00  0.70 
assign (residue 8 and name H1') (residue 9 and name H5'')   5.00  2.00  1.00 
assign (residue 8 and name H1') (residue 9 and name H8)     3.80  2.00  0.70 
assign (residue 8 and name H2') (residue 8 and name H51)    5.00  2.00  1.00 
assign (residue 8 and name H2') (residue 8 and name H6)     2.50  0.70  0.50 
assign (residue 8 and name H2') (residue 9 and name H8)     3.80  2.00  0.70 
assign (residue 8 and name H2'') (residue 8 and name H51)   5.00  2.00  1.00 
assign (residue 8 and name H2'') (residue 8 and name H6)    3.80  2.00  0.70 
assign (residue 8 and name H2'') (residue 9 and name H1')   5.00  2.00  1.00 
assign (residue 8 and name H2'') (residue 9 and name H2'')  6.00  2.00  1.00 
assign (residue 8 and name H2'') (residue 9 and name H3')   5.00  2.00  1.00 
assign (residue 8 and name H2'') (residue 9 and name H4')   5.00  2.00  1.00 
assign (residue 8 and name H2'') (residue 9 and name H8)    3.80  2.00  0.70 
assign (residue 8 and name H3') (residue 8 and name H51)    5.00  2.00  1.00 
assign (residue 8 and name H3') (residue 8 and name H6)     3.80  2.00  0.70 
assign (residue 8 and name H3') (residue 9 and name H8)     5.00  2.00  1.00 
assign (residue 8 and name H4') (residue 8 and name H51)    6.00  2.00  1.00 
assign (residue 8 and name H4') (residue 8 and name H6)     5.00  2.00  1.00 
assign (residue 8 and name H4') (residue 9 and name H8)     5.00  2.00  1.00 
assign (residue 8 and name H5') (residue 8 and name H51)    6.00  2.00  1.00 
assign (residue 8 and name H5') (residue 8 and name H6)     5.00  2.00  1.00 
assign (residue 8 and name H5'') (residue 8 and name H51)   6.00  2.00  1.00 
assign (residue 8 and name H5'') (residue 8 and name H6)    6.00  2.00  1.00 
assign (residue 8 and name H51) (residue 9 and name H8)     6.00  2.00  1.00 
assign (residue 8 and name H6)  (residue 9 and name H8)     5.00  2.00  1.00 
assign (residue 8 and name H3) (residue 8 and name H1')     5.00  2.00  1.00 
assign (residue 8 and name H3) (residue 9 and name H1)      5.00  2.00  1.00 

!------

{G9}
assign (residue 9 and name H1') (residue 9 and name H8)     3.80  2.00  0.70 
assign (residue 9 and name H1') (residue 10 and name H1')   6.00  2.00  1.00 
assign (residue 9 and name H1') (residue 10 and name H2')   6.00  2.00  1.00 
assign (residue 9 and name H1') (residue 10 and name H2'')  6.00  2.00  1.00 
assign (residue 9 and name H1') (residue 10 and name H4')   6.00  2.00  1.00 
assign (residue 9 and name H1') (residue 10 and name H5')   5.00  2.00  1.00 
assign (residue 9 and name H1') (residue 10 and name H5'')  5.00  2.00  1.00 
assign (residue 9 and name H1') (residue 10 and name H8)    3.80  2.00  0.70 
assign (residue 9 and name H2') (residue 9 and name H8)     2.50  0.70  0.50 
assign (residue 9 and name H2') (residue 10 and name H8)    3.80  2.00  0.70 
assign (residue 9 and name H2'') (residue 9 and name H8)    3.80  2.00  0.70 
assign (residue 9 and name H2'') (residue 10 and name H4')  6.00  2.00  1.00 
assign (residue 9 and name H2'') (residue 10 and name H5')  5.00  2.00  1.00 
assign (residue 9 and name H2'') (residue 10 and name H5'') 5.00  2.00  1.00 
assign (residue 9 and name H2'') (residue 10 and name H8)   3.80  2.00  0.70 
assign (residue 9 and name H3') (residue 9 and name H8)     3.80  2.00  0.70 
assign (residue 9 and name H4') (residue 9 and name H8)     5.00  2.00  1.00 
assign (residue 9 and name H4') (residue 10 and name H8)    6.00  2.00  1.00 
assign (residue 9 and name H5') (residue 9 and name H8)     6.00  2.00  1.00 
assign (residue 9 and name H5') (residue 10 and name H8)    6.00  2.00  1.00 
assign (residue 9 and name H5'') (residue 9 and name H8)    6.00  2.00  1.00 
assign (residue 9 and name H8) (residue 10 and name H8)     3.80  2.00  0.70 
assign (residue 9 and name H1) (residue 10 and name H2)     3.80  2.00  0.70 
assign (residue 9 and name H1) (residue 10 and name H1')    6.00  2.00  1.00 

!------

{A10}
assign (residue 10 and name H1') (residue 10 and name H2)   5.00  2.00  1.00 
assign (residue 10 and name H1') (residue 10 and name H8)   3.80  2.00  0.70 
assign (residue 10 and name H1') (residue 11 and name H1')  6.00  2.00  1.00 
assign (residue 10 and name H1') (residue 11 and name H2')  6.00  2.00  1.00 
assign (residue 10 and name H1') (residue 11 and name H2'') 6.00  2.00  1.00 
assign (residue 10 and name H1') (residue 11 and name H4')  5.00  2.00  1.00 
assign (residue 10 and name H1') (residue 11 and name H5')  5.00  2.00  1.00 
assign (residue 10 and name H1') (residue 11 and name H5'') 5.00  2.00  1.00 
assign (residue 10 and name H1') (residue 11 and name H51)  3.80  2.00  0.70 
assign (residue 10 and name H1') (residue 11 and name H6)   3.80  2.00  0.70 
assign (residue 10 and name H2') (residue 10 and name H8)   3.80  2.00  0.70 
assign (residue 10 and name H2') (residue 11 and name H4')  6.00  2.00  1.00 
assign (residue 10 and name H2') (residue 11 and name H51)  3.80  2.00  0.70 
assign (residue 10 and name H2') (residue 11 and name H6)   3.80  2.00  0.70 
assign (residue 10 and name H2'') (residue 10 and name H8)  3.80  2.00  0.70 
assign (residue 10 and name H2'') (residue 11 and name H51) 3.80  2.00  0.70 
assign (residue 10 and name H2'') (residue 11 and name H6)  3.80  2.00  0.70 
assign (residue 10 and name H3') (residue 10 and name H8)   3.80  2.00  0.70 
assign (residue 10 and name H3') (residue 11 and name H51)  5.00  2.00  1.00 
assign (residue 10 and name H3') (residue 11 and name H6)   5.00  2.00  1.00 
assign (residue 10 and name H4') (residue 10 and name H8)   5.00  2.00  1.00 
assign (residue 10 and name H4') (residue 11 and name H51)  5.00  2.00  1.00 
assign (residue 10 and name H4') (residue 11 and name H6)   6.00  2.00  1.00 
assign (residue 10 and name H5') (residue 10 and name H8)   5.00  2.00  1.00 
assign (residue 10 and name H5') (residue 11 and name H51)  6.00  2.00  1.00 
assign (residue 10 and name H5'') (residue 10 and name H8)  5.00  2.00  1.00 
assign (residue 10 and name H5'') (residue 11 and name H51) 6.00  2.00  1.00 
assign (residue 10 and name H2) (residue 11 and name H1')   5.00  2.00  1.00 
assign (residue 10 and name H2) (residue 11 and name H51)   5.00  2.00  1.00 
assign (residue 10 and name H2) (residue 11 and name H6)    6.00  2.00  1.00 
assign (residue 10 and name H2) (residue 19 and name H1')   6.00  2.00  1.00 
assign (residue 10 and name H2) (residue 20 and name H1')   5.00  2.00  1.00 
assign (residue 10 and name H8) (residue 11 and name H5')   6.00  2.00  1.00 
assign (residue 10 and name H8) (residue 11 and name H51)   3.80  2.00  0.70 
assign (residue 10 and name H8) (residue 11 and name H6)    5.00  2.00  1.00 
assign (residue 10 and name H2) (residue 11 and name H3)    6.00  2.00  1.00 

!------

{T11}
assign (residue 11 and name H1') (residue 11 and name H51)   5.00  2.00  1.00 
assign (residue 11 and name H1') (residue 11 and name H6)    3.80  2.00  0.70 
assign (residue 11 and name H1') (residue 12 and name H1')   6.00  2.00  1.00 
assign (residue 11 and name H1') (residue 12 and name H3')   6.00  2.00  1.00 
assign (residue 11 and name H1') (residue 12 and name H4')   6.00  2.00  1.00 
assign (residue 11 and name H1') (residue 12 and name H8)    5.00  2.00  1.00 
assign (residue 11 and name H2') (residue 11 and name H51)   5.00  2.00  1.00 
assign (residue 11 and name H2') (residue 11 and name H6)    2.50  0.70  0.50 
assign (residue 11 and name H2') (residue 12 and name H8)    3.80  2.00  0.70 
assign (residue 11 and name H2'') (residue 11 and name H51)  6.00  2.00  1.00 
assign (residue 11 and name H2'') (residue 11 and name H6)   3.80  2.00  0.70 
assign (residue 11 and name H2'') (residue 12 and name H3')  6.00  2.00  1.00 
assign (residue 11 and name H2'') (residue 12 and name H8)   3.80  2.00  0.70 
assign (residue 11 and name H3') (residue 11 and name H51)   6.00  2.00  1.00 
assign (residue 11 and name H3') (residue 11 and name H6)    3.80  2.00  0.70 
assign (residue 11 and name H3') (residue 12 and name H2')   6.00  2.00  1.00 
assign (residue 11 and name H3') (residue 12 and name H8)    3.80  2.00  0.70 
assign (residue 11 and name H4') (residue 11 and name H51)   6.00  2.00  1.00 
assign (residue 11 and name H4') (residue 11 and name H6)    5.00  2.00  1.00 
assign (residue 11 and name H4') (residue 12 and name H8)    5.00  2.00  1.00 
assign (residue 11 and name H5') (residue 11 and name H51)   6.00  2.00  1.00 
assign (residue 11 and name H5') (residue 11 and name H6)    5.00  2.00  1.00 
assign (residue 11 and name H5') (residue 12 and name H8)    6.00  2.00  1.00 
assign (residue 11 and name H5'') (residue 11 and name H51)  6.00  2.00  1.00 
assign (residue 11 and name H5'') (residue 11 and name H6)   5.00  2.00  1.00 
assign (residue 11 and name H5'') (residue 12 and name H8)   6.00  2.00  1.00 
assign (residue 11 and name H51) (residue 12 and name H8)    6.00  2.00  1.00 
assign (residue 11 and name H6) (residue 12 and name H2)     6.00  2.00  1.00 
assign (residue 11 and name H6) (residue 12 and name H8)     5.00  2.00  1.00 

!----

{A12}
assign (residue 12 and name H1') (residue 12 and name H2)    5.00  2.00  1.00 
assign (residue 12 and name H1') (residue 12 and name H8)    3.80  2.00  0.70 
assign (residue 12 and name H1') (residue 13 and name H1')   5.00  2.00  1.00 
assign (residue 12 and name H1') (residue 13 and name H2')   6.00  2.00  1.00 
assign (residue 12 and name H1') (residue 13 and name H2'')  6.00  2.00  1.00 
assign (residue 12 and name H1') (residue 13 and name H3')   6.00  2.00  1.00 
assign (residue 12 and name H1') (residue 13 and name H4')   6.00  2.00  1.00 
assign (residue 12 and name H1') (residue 13 and name H5)    3.80  2.00  0.70 
assign (residue 12 and name H1') (residue 13 and name H6)    3.80  2.00  0.70 
assign (residue 12 and name H2') (residue 12 and name H8)    3.80  2.00  0.70 
assign (residue 12 and name H2') (residue 13 and name H5)    3.80  2.00  0.70 
assign (residue 12 and name H2') (residue 13 and name H6)    3.80  2.00  0.70 
assign (residue 12 and name H2'') (residue 12 and name H8)   3.80  2.00  0.70 
assign (residue 12 and name H2'') (residue 13 and name H1')  6.00  2.00  1.00 
assign (residue 12 and name H2'') (residue 13 and name H2')  6.00  2.00  1.00 
assign (residue 12 and name H2'') (residue 13 and name H2'') 6.00  2.00  1.00 
assign (residue 12 and name H2'') (residue 13 and name H3')  5.00  2.00  1.00 
assign (residue 12 and name H2'') (residue 13 and name H4')  5.00  2.00  1.00 
assign (residue 12 and name H2'') (residue 13 and name H5)   3.80  2.00  0.70 
assign (residue 12 and name H2'') (residue 13 and name H6)   3.80  2.00  0.70 
assign (residue 12 and name H3') (residue 12 and name H8)    3.80  2.00  0.70 
assign (residue 12 and name H3') (residue 13 and name H5)    5.00  2.00  1.00 
assign (residue 12 and name H3') (residue 13 and name H6)    5.00  2.00  1.00 
assign (residue 12 and name H4') (residue 12 and name H8)    5.00  2.00  1.00 
assign (residue 12 and name H4') (residue 13 and name H5)    6.00  2.00  1.00 
assign (residue 12 and name H4') (residue 13 and name H6)    6.00  2.00  1.00 
assign (residue 12 and name H5') (residue 12 and name H8)    5.00  2.00  1.00 
assign (residue 12 and name H5'') (residue 12 and name H8)   6.00  2.00  1.00 
assign (residue 12 and name H5'') (residue 13 and name H6)   6.00  2.00  1.00 
assign (residue 12 and name H2) (residue 13 and name H1')    5.00  2.00  1.00 
assign (residue 12 and name H2) (residue 13 and name H5)     6.00  2.00  1.00 
assign (residue 12 and name H8) (residue 13 and name H5)     3.80  2.00  0.70 
assign (residue 12 and name H8) (residue 13 and name H6)     3.80  2.00  0.70 

!------

{C13}
assign (residue 13 and name H1') (residue 13 and name H5)    6.00  2.00  1.00 
assign (residue 13 and name H1') (residue 13 and name H6)    3.80  2.00  0.70 
assign (residue 13 and name H1') (residue 14 and name H1')   6.00  2.00  1.00 
assign (residue 13 and name H1') (residue 14 and name H4')   6.00  2.00  1.00 
assign (residue 13 and name H1') (residue 14 and name H8)    3.80  2.00  0.70 
assign (residue 13 and name H2') (residue 13 and name H5)    3.80  2.00  0.70 
assign (residue 13 and name H2') (residue 13 and name H6)    2.50  0.70  0.50 
assign (residue 13 and name H2') (residue 14 and name H8)    3.80  2.00  0.70 
assign (residue 13 and name H2'') (residue 13 and name H5)   5.00  2.00  1.00 
assign (residue 13 and name H2'') (residue 13 and name H6)   3.80  2.00  0.70 
assign (residue 13 and name H2'') (residue 14 and name H1')  6.00  2.00  1.00 
assign (residue 13 and name H2'') (residue 14 and name H4')  5.00  2.00  1.00 
assign (residue 13 and name H2'') (residue 14 and name H8)   3.80  2.00  0.70 
assign (residue 13 and name H3') (residue 13 and name H5)    5.00  2.00  1.00 
assign (residue 13 and name H3') (residue 13 and name H6)    3.80  2.00  0.70 
assign (residue 13 and name H3') (residue 14 and name H4')   6.00  2.00  1.00 
assign (residue 13 and name H3') (residue 14 and name H8)    3.80  2.00  0.70 
assign (residue 13 and name H4') (residue 13 and name H5)    6.00  2.00  1.00 
assign (residue 13 and name H4') (residue 13 and name H6)    5.00  2.00  1.00 
assign (residue 13 and name H5') (residue 13 and name H5)    6.00  2.00  1.00 
assign (residue 13 and name H5') (residue 13 and name H6)    6.00  2.00  1.00 
assign (residue 13 and name H5'') (residue 13 and name H5)   6.00  2.00  1.00 
assign (residue 13 and name H5'') (residue 13 and name H6)   5.00  2.00  1.00 
assign (residue 13 and name H5) (residue 14 and name H8)     6.00  2.00  1.00 
assign (residue 13 and name H6) (residue 14 and name H8)     5.00  2.00  1.00 
assign (residue 13 and name H42)(residue 14 and name H1)     6.00  2.00  1.00 
assign (residue 13 and name H6) (residue 14 and name H1)     6.00  2.00  1.00 

!----

{G14}
assign (residue 14 and name H1') (residue 14 and name H8)    3.80  2.00  0.70 
assign (residue 14 and name H2') (residue 14 and name H8)    2.50  0.70  0.50 
assign (residue 14 and name H2'') (residue 14 and name H8)   3.80  2.00  0.70 
assign (residue 14 and name H3') (residue 14 and name H8)    3.80  2.00  0.70 
assign (residue 14 and name H4') (residue 14 and name H8)    5.00  2.00  1.00 
assign (residue 14 and name H5') (residue 14 and name H8)    5.00  2.00  1.00 
assign (residue 14 and name H5'') (residue 14 and name H8)   5.00  2.00  1.00 

!----

{C15}
assign (residue 15 and name H1') (residue 15 and name H5)     5.00  2.00  1.00 
assign (residue 15 and name H1') (residue 15 and name H6)     3.80  2.00  0.70 
assign (residue 15 and name H1') (residue 16 and name H1')    5.00  2.00  1.00 
assign (residue 15 and name H1') (residue 16 and name H3')    6.00  2.00  1.00 
assign (residue 15 and name H1') (residue 16 and name H4')    5.00  2.00  1.00 
assign (residue 15 and name H1') (residue 16 and name H5')    3.80  2.00  0.70 
assign (residue 15 and name H1') (residue 16 and name H5'')   5.00  2.00  1.00 
assign (residue 15 and name H1') (residue 16 and name H8)     3.80  2.00  0.70 
assign (residue 15 and name H2')  (residue 15 and name H5)    3.80  2.00  0.70 
assign (residue 15 and name H2')  (residue 15 and name H6)    2.50  0.70  0.50 
assign (residue 15 and name H2')  (residue 16 and name H1')   6.00  2.00  1.00 
assign (residue 15 and name H2')  (residue 16 and name H2')   6.00  2.00  1.00 
assign (residue 15 and name H2')  (residue 16 and name H3')   5.00  2.00  1.00 
assign (residue 15 and name H2')  (residue 16 and name H4')   5.00  2.00  1.00 
assign (residue 15 and name H2')  (residue 16 and name H8)    3.80  2.00  0.70 
assign (residue 15 and name H2'')  (residue 15 and name H5)   5.00  2.00  1.00 
assign (residue 15 and name H2'')  (residue 15 and name H6)   3.80  2.00  0.70 
assign (residue 15 and name H2'')  (residue 16 and name H1')  5.00  2.00  1.00 
assign (residue 15 and name H2'')  (residue 16 and name H2')  5.00  2.00  1.00 
assign (residue 15 and name H2'')  (residue 16 and name H2'') 6.00  2.00  1.00 
assign (residue 15 and name H2'')  (residue 16 and name H3')  5.00  2.00  1.00 
assign (residue 15 and name H2'')  (residue 16 and name H4')  3.80  2.00  0.70 
assign (residue 15 and name H2'')  (residue 16 and name H8)   2.50  0.70  0.50 
assign (residue 15 and name H3')  (residue 15 and name H5)    6.00  2.00  1.00 
assign (residue 15 and name H3')  (residue 15 and name H6)    3.80  2.00  1.00 
assign (residue 15 and name H3')  (residue 16 and name H2')   6.00  2.00  1.00 
assign (residue 15 and name H3')  (residue 16 and name H8)    3.80  2.00  1.00 
assign (residue 15 and name H4')  (residue 15 and name H5)    6.00  2.00  1.00 
assign (residue 15 and name H4')  (residue 15 and name H6)    5.00  2.00  1.00 
assign (residue 15 and name H4')  (residue 16 and name H8)    5.00  2.00  1.00 
assign (residue 15 and name H5') (residue 15 and name H5)     5.00  2.00  1.00 
assign (residue 15 and name H5') (residue 15 and name H6)     3.80  2.00  1.00 
assign (residue 15 and name H5') (residue 16 and name H8)     6.00  2.00  1.00 
assign (residue 15 and name H5) (residue 16 and name H8)      6.00  2.00  1.00 
assign (residue 15 and name H6) (residue 16 and name H8)      5.00  2.00  1.00 
assign (residue 15 and name H41) (residue 16 and name H1)     3.80  2.00  0.70 
assign (residue 15 and name H41) (residue 14 and name H1)     3.80  2.00  0.70 
assign (residue 15 and name H42) (residue 16 and name H1)     3.80  2.00  0.70 
assign (residue 15 and name H42) (residue 14 and name H1)     3.80  2.00  0.70 
assign (residue 15 and name H5)  (residue 16 and name H1)     5.00  2.00  1.00 
assign (residue 15 and name H5)  (residue 14 and name H1)     5.00  2.00  1.00 
assign (residue 15 and name H6)  (residue 16 and name H1)     6.00  2.00  1.00 
assign (residue 15 and name H1') (residue 16 and name H1)     5.00  2.00  1.00 

!------

{G16}
assign (residue 16 and name H1') (residue 16 and name H8)     3.80  2.00  0.70 
assign (residue 16 and name H1') (residue 17 and name H3')    6.00  2.00  1.00 
assign (residue 16 and name H1') (residue 17 and name H4')    5.00  2.00  1.00 
assign (residue 16 and name H1') (residue 17 and name H5')    3.80  2.00  0.70 
assign (residue 16 and name H1') (residue 17 and name H51)    3.80  2.00  0.70 
assign (residue 16 and name H1') (residue 17 and name H6)     3.80  2.00  0.70 
assign (residue 16 and name H2') (residue 16 and name H8)     2.50  0.70  0.50 
assign (residue 16 and name H2') (residue 17 and name H3')    6.00  2.00  1.00 
assign (residue 16 and name H2') (residue 17 and name H51)    3.80  2.00  0.70 
assign (residue 16 and name H2') (residue 17 and name H6)     3.80  2.00  0.70 
assign (residue 16 and name H2'') (residue 16 and name H8)    3.80  2.00  0.70 
assign (residue 16 and name H2'') (residue 17 and name H3')   5.00  2.00  1.00 
assign (residue 16 and name H2'') (residue 17 and name H51)   3.80  2.00  0.70 
assign (residue 16 and name H2'') (residue 17 and name H6)    3.80  2.00  0.70 
assign (residue 16 and name H3') (residue 16 and name H8)     3.80  2.00  0.70 
assign (residue 16 and name H3') (residue 17 and name H2')    6.00  2.00  1.00 
assign (residue 16 and name H3') (residue 17 and name H51)    5.00  2.00  1.00 
assign (residue 16 and name H3') (residue 17 and name H6)     5.00  2.00  1.00 
assign (residue 16 and name H4') (residue 16 and name H8)     5.00  2.00  1.00 
assign (residue 16 and name H4') (residue 17 and name H2')    6.00  2.00  1.00 
assign (residue 16 and name H4') (residue 17 and name H51)    5.00  2.00  1.00 
assign (residue 16 and name H4') (residue 17 and name H6)     6.00  2.00  1.00 
assign (residue 16 and name H5') (residue 16 and name H8)     5.00  2.00  1.00 
assign (residue 16 and name H5'') (residue 16 and name H8)    5.00  2.00  1.00 
assign (residue 16 and name H5'') (residue 17 and name H51)   6.00  2.00  1.00 
assign (residue 16 and name H8) (residue 17 and name H51)     3.80  2.00  0.70 
assign (residue 16 and name H8) (residue 17 and name H6)      3.80  2.00  0.70 
assign (residue 16 and name H1)  (residue 17 and name H3)     3.80  2.00  0.70 
assign (residue 16 and name H1)  (residue 17 and name H51)    6.00  2.00  1.00 
assign (residue 16 and name H1)  (residue 17 and name H1')    5.00  2.00  1.00 
assign (residue 16 and name H1)  (residue 12 and name H2)     3.80  2.00  0.70 
assign (residue 16 and name H1)  (residue 13 and name H1')    5.00  2.00  1.00 
assign (residue 16 and name H1)  (residue 13 and name H41)    2.50  0.70  0.50 
assign (residue 16 and name H1)  (residue 13 and name H42)    3.80  2.00  0.70 
assign (residue 16 and name H1)  (residue 13 and name H5)     5.00  2.00  1.00 
assign (residue 16 and name H1)  (residue 13 and name H6)     6.00  2.00  1.00 
assign (residue 16 and name H1)  (residue 14 and name H1)     3.80  2.00  0.70 
assign (residue 16 and name H1)  (residue 14 and name H1')    6.00  2.00  1.00 

!------

{T17} 
assign (residue 17 and name H1') (residue 17 and name H51)    5.00  2.00  1.00 
assign (residue 17 and name H1') (residue 17 and name H6)     3.80  2.00  0.70 
assign (residue 17 and name H1') (residue 18 and name H1')    6.00  2.00  1.00 
assign (residue 17 and name H1') (residue 18 and name H2')    6.00  2.00  1.00 
assign (residue 17 and name H1') (residue 18 and name H3')    6.00  2.00  1.00 
assign (residue 17 and name H1') (residue 18 and name H4')    5.00  2.00  1.00 
assign (residue 17 and name H1') (residue 18 and name H5)     3.80  2.00  0.70 
assign (residue 17 and name H1') (residue 18 and name H6)     3.80  2.00  0.70 
assign (residue 17 and name H1') (residue 12 and name H2)     6.00  2.00  1.00 
assign (residue 17 and name H2') (residue 17 and name H51)    3.80  2.00  0.70 
assign (residue 17 and name H2') (residue 17 and name H6)     2.50  0.70  0.50 
assign (residue 17 and name H2') (residue 18 and name H1')    6.00  2.00  1.00 
assign (residue 17 and name H2') (residue 18 and name H5)     3.80  2.00  0.70 
assign (residue 17 and name H2') (residue 18 and name H6)     3.80  2.00  0.70 
assign (residue 17 and name H2'') (residue 17 and name H51)   5.00  2.00  1.00 
assign (residue 17 and name H2'') (residue 17 and name H6)    3.80  2.00  0.70 
assign (residue 17 and name H2'') (residue 18 and name H5)    3.80  2.00  0.70 
assign (residue 17 and name H2'') (residue 18 and name H6)    2.50  0.70  0.50 
assign (residue 17 and name H3') (residue 17 and name H51)    5.00  2.00  1.00 
assign (residue 17 and name H3') (residue 17 and name H6)     3.80  2.00  0.70 
assign (residue 17 and name H3') (residue 18 and name H5)     5.00  2.00  1.00 
assign (residue 17 and name H3') (residue 18 and name H6)     5.00  2.00  1.00 
assign (residue 17 and name H4') (residue 17 and name H51)    6.00  2.00  1.00 
assign (residue 17 and name H4') (residue 17 and name H6)     5.00  2.00  1.00 
assign (residue 17 and name H4') (residue 18 and name H5)     6.00  2.00  1.00 
assign (residue 17 and name H4') (residue 18 and name H6)     6.00  2.00  1.00 
assign (residue 17 and name H5') (residue 17 and name H51)    6.00  2.00  1.00 
assign (residue 17 and name H5') (residue 17 and name H6)     5.00  2.00  1.00 
assign (residue 17 and name H5') (residue 18 and name H6)     6.00  2.00  1.00 
assign (residue 17 and name H5'') (residue 17 and name H51)   6.00  2.00  1.00 
assign (residue 17 and name H5'') (residue 17 and name H6)    5.00  2.00  1.00 
assign (residue 17 and name H5'') (residue 18 and name H6)    6.00  2.00  1.00 
assign (residue 17 and name H51) (residue 18 and name H5)     5.00  2.00  1.00 
assign (residue 17 and name H51) (residue 18 and name H6)     6.00  2.00  1.00 
assign (residue 17 and name H6) (residue 18 and name H5)      3.80  2.00  0.70 
assign (residue 17 and name H6) (residue 18 and name H6)      3.80  2.00  0.70 
assign (residue 17 and name H3)  (residue 17 and name H1')    5.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 18 and name H41)    5.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 18 and name H42)    5.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 18 and name H5)     6.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 18 and name H1')    5.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 11 and name H3)     6.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 11 and name H51)    5.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 12 and name H2)     2.50  0.70  0.50 
assign (residue 17 and name H3)  (residue 12 and name H61)    3.80  2.00  0.70 
assign (residue 17 and name H3)  (residue 12 and name H8)     6.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 13 and name H41)    6.00  2.00  1.00 
assign (residue 17 and name H3)  (residue 13 and name H42)    6.00  2.00  1.00 
assign (residue 17 and name H6)  (residue 18 and name H42)    6.00  2.00  1.00 

!-----------

{C18}
assign (residue 18 and name H1') (residue 18 and name H5)     5.00  2.00  1.00 
assign (residue 18 and name H1') (residue 18 and name H6)     3.80  2.00  0.70 
assign (residue 18 and name H1') (residue 19 and name H1')    6.00  2.00  1.00 
assign (residue 18 and name H1') (residue 19 and name H3')    6.00  2.00  1.00 
assign (residue 18 and name H1') (residue 19 and name H4')    5.00  2.00  1.00 
assign (residue 18 and name H1') (residue 19 and name H51)    3.80  2.00  0.70 
assign (residue 18 and name H1') (residue 19 and name H6)     3.80  2.00  0.70 
assign (residue 18 and name H1') (residue 12 and name H2)     3.80  2.00  0.70 
assign (residue 18 and name H2') (residue 18 and name H5)     3.80  2.00  0.70 
assign (residue 18 and name H2') (residue 18 and name H6)     2.50  0.70  0.50 
assign (residue 18 and name H2') (residue 19 and name H1')    6.00  2.00  1.00 
assign (residue 18 and name H2') (residue 19 and name H51)    3.80  2.00  0.70 
assign (residue 18 and name H2') (residue 19 and name H6)     3.80  2.00  0.70 
assign (residue 18 and name H2'') (residue 18 and name H5)    5.00  2.00  1.00 
assign (residue 18 and name H2'') (residue 18 and name H6)    3.80  2.00  0.70 
assign (residue 18 and name H2'') (residue 19 and name H3')   6.00  2.00  1.00 
assign (residue 18 and name H2'') (residue 19 and name H51)   3.80  2.00  0.70 
assign (residue 18 and name H2'') (residue 19 and name H6)    3.80  2.00  0.70 
assign (residue 18 and name H3') (residue 18 and name H5)     5.00  2.00  1.00 
assign (residue 18 and name H3') (residue 18 and name H6)     3.80  2.00  0.70 
assign (residue 18 and name H3') (residue 19 and name H51)    3.80  2.00  0.70 
assign (residue 18 and name H3') (residue 19 and name H6)     5.00  2.00  1.00 
assign (residue 18 and name H4') (residue 18 and name H5)     6.00  2.00  1.00 
assign (residue 18 and name H4') (residue 18 and name H6)     5.00  2.00  1.00 
assign (residue 18 and name H3') (residue 19 and name H51)    5.00  2.00  1.00 
assign (residue 18 and name H4') (residue 19 and name H6)     5.00  2.00  1.00 
assign (residue 18 and name H5') (residue 18 and name H6)     5.00  2.00  1.00 
assign (residue 18 and name H5'') (residue 18 and name H6)    5.00  2.00  1.00 
assign (residue 18 and name H5) (residue 19 and name H51)     3.80  2.00  0.70 
assign (residue 18 and name H5) (residue 19 and name H6)      6.00  2.00  1.00 
assign (residue 18 and name H5) (residue 12 and name H2)      6.00  2.00  1.00 
assign (residue 18 and name H6) (residue 19 and name H51)     3.80  2.00  0.70 
assign (residue 18 and name H6) (residue 19 and name H6)      5.00  2.00  1.00 
assign (residue 18 and name H6) (residue 12 and name H2)      6.00  2.00  1.00 
assign (residue 18 and name H41) (residue 19 and name H3)     5.00  2.00  1.00 
assign (residue 18 and name H41) (residue 11 and name H3)     6.00  2.00  1.00 
assign (residue 18 and name H42) (residue 19 and name H3)     5.00  2.00  1.00 
assign (residue 18 and name H42) (residue 11 and name H3)     6.00  2.00  1.00 
assign (residue 18 and name H5) (residue 19 and name H3)      6.00  2.00  1.00 

!------

{T19}
assign (residue 19 and name H1') (residue 19 and name H51)    5.00  2.00  1.00 
assign (residue 19 and name H1') (residue 19 and name H6)     3.80  2.00  0.70 
assign (residue 19 and name H1') (residue 20 and name H2')    6.00  2.00  1.00 
assign (residue 19 and name H1') (residue 20 and name H3')    5.00  2.00  1.00 
assign (residue 19 and name H1') (residue 20 and name H4')    5.00  2.00  1.00 
assign (residue 19 and name H1') (residue 20 and name H5)     5.00  2.00  1.00 
assign (residue 19 and name H1') (residue 20 and name H6)     3.80  2.00  0.70 
assign (residue 19 and name H2') (residue 19 and name H51)    3.80  2.00  0.70 
assign (residue 19 and name H2') (residue 19 and name H6)     2.50  0.70  0.50 
assign (residue 19 and name H2') (residue 20 and name H5)     5.00  2.00  1.00 
assign (residue 19 and name H2') (residue 20 and name H6)     3.80  2.00  0.70 
assign (residue 19 and name H2'') (residue 19 and name H51)   5.00  2.00  1.00 
assign (residue 19 and name H2'') (residue 19 and name H6)    3.80  2.00  0.70 
assign (residue 19 and name H2'') (residue 20 and name H5)    3.80  2.00  0.70 
assign (residue 19 and name H2'') (residue 20 and name H6)    3.80  2.00  0.70 
assign (residue 19 and name H3') (residue 19 and name H51)    5.00  2.00  1.00 
assign (residue 19 and name H3') (residue 19 and name H6)     3.80  2.00  0.70 
assign (residue 19 and name H3') (residue 20 and name H2')    6.00  2.00  1.00 
assign (residue 19 and name H3') (residue 20 and name H5)     5.00  2.00  1.00 
assign (residue 19 and name H3') (residue 20 and name H6)     5.00  2.00  1.00 
assign (residue 19 and name H4') (residue 19 and name H51)    6.00  2.00  1.00 
assign (residue 19 and name H4') (residue 19 and name H6)     5.00  2.00  1.00 
assign (residue 19 and name H4') (residue 20 and name H5)     6.00  2.00  1.00 
assign (residue 19 and name H4') (residue 20 and name H6)     5.00  2.00  1.00 
assign (residue 19 and name H5') (residue 19 and name H51)    6.00  2.00  1.00 
assign (residue 19 and name H5') (residue 19 and name H6)     5.00  2.00  1.00 
assign (residue 19 and name H5'') (residue 19 and name H51)   6.00  2.00  1.00 
assign (residue 19 and name H5'') (residue 19 and name H6)    5.00  2.00  1.00 
assign (residue 19 and name H51) (residue 20 and name H5)     3.80  2.00  0.70 
assign (residue 19 and name H6) (residue 20 and name H5)      3.80  2.00  0.70 
assign (residue 19 and name H6) (residue 20 and name H6)      5.00  2.00  1.00 
assign (residue 19 and name H3) (residue 19 and name H1')     5.00  2.00  1.00 
assign (residue 19 and name H3) (residue 20 and name H41)     5.00  2.00  1.00 
assign (residue 19 and name H3) (residue 20 and name H42)     5.00  2.00  1.00 
assign (residue 19 and name H3) (residue 9 and name H1)       5.00  2.00  1.00 
assign (residue 19 and name H3) (residue 10 and name H2)      2.50  0.70  0.50 
assign (residue 19 and name H3) (residue 10 and name H61)     3.80  2.00  0.70 
assign (residue 19 and name H3) (residue 10 and name H62)     3.80  2.00  0.70 
assign (residue 19 and name H3) (residue 11 and name H3)      6.00  2.00  1.00 

!-----------

{C20}
assign (residue 20 and name H1') (residue 20 and name H5)     5.00  2.00  1.00 
assign (residue 20 and name H1') (residue 20 and name H6)     3.80  2.00  0.70 
assign (residue 20 and name H1') (residue 21 and name H1')    6.00  2.00  1.00 
assign (residue 20 and name H1') (residue 21 and name H2')    6.00  2.00  1.00 
assign (residue 20 and name H1') (residue 21 and name H2'')   6.00  2.00  1.00 
assign (residue 20 and name H1') (residue 21 and name H3')    6.00  2.00  1.00 
assign (residue 20 and name H1') (residue 21 and name H4')    6.00  2.00  1.00 
assign (residue 20 and name H1') (residue 21 and name H5'')   5.00  2.00  1.00 
assign (residue 20 and name H1') (residue 21 and name H8)     3.80  2.00  0.70 
assign (residue 20 and name H2') (residue 20 and name H5)     5.00  2.00  1.00 
assign (residue 20 and name H2') (residue 20 and name H6)     2.50  0.70  0.50 
assign (residue 20 and name H2') (residue 21 and name H3')    6.00  2.00  1.00 
assign (residue 20 and name H2') (residue 21 and name H4')    6.00  2.00  1.00 
assign (residue 20 and name H2') (residue 21 and name H8)     3.80  2.00  0.70 
assign (residue 20 and name H2'') (residue 20 and name H6)    3.80  2.00  0.70 
assign (residue 20 and name H2'') (residue 21 and name H3')   6.00  2.00  1.00 
assign (residue 20 and name H2'') (residue 21 and name H2'')  6.00  2.00  1.00 
assign (residue 20 and name H2'') (residue 21 and name H8)    3.80  2.00  0.70 
assign (residue 20 and name H3') (residue 20 and name H5)     6.00  2.00  1.00 
assign (residue 20 and name H3') (residue 20 and name H6)     3.80  2.00  0.70 
assign (residue 20 and name H3') (residue 21 and name H2')    6.00  2.00  1.00 
assign (residue 20 and name H3') (residue 21 and name H8)     5.00  2.00  1.00 
assign (residue 20 and name H4') (residue 20 and name H5)     6.00  2.00  1.00 
assign (residue 20 and name H4') (residue 20 and name H6)     5.00  2.00  1.00 
assign (residue 20 and name H4') (residue 21 and name H8)     5.00  2.00  1.00 
assign (residue 20 and name H5) (residue 21 and name H8)      6.00  2.00  1.00 
assign (residue 20 and name H6) (residue 21 and name H8)      5.00  2.00  1.00 
assign (residue 20 and name H41) (residue 21 and name H62)    5.00  2.00  1.00 
assign (residue 20 and name H41) (residue 8 and name H3)      3.80  2.00  0.70 
assign (residue 20 and name H41) (residue 9 and name H1)      2.50  0.70  0.50 
assign (residue 20 and name H41) (residue 10 and name H2)     5.00  2.00  1.00 
assign (residue 20 and name H42) (residue 21 and name H61)    6.00  2.00  1.00 
assign (residue 20 and name H42) (residue 8 and name H3)      5.00  2.00  1.00 
assign (residue 20 and name H42) (residue 9 and name H1)      3.80  2.00  0.70 
assign (residue 20 and name H5) (residue 8 and name H3)       6.00  2.00  1.00 
assign (residue 20 and name H5) (residue 9 and name H1)       3.80  2.00  0.70 

!-----

{A21}
assign (residue 21 and name H1') (residue 21 and name H2)     5.00  2.00  1.00 
assign (residue 21 and name H1') (residue 21 and name H8)     3.80  2.00  0.70 
assign (residue 21 and name H1') (residue 22 and name H1')    5.00  2.00  1.00 
assign (residue 21 and name H1') (residue 22 and name H4')    5.00  2.00  1.00 
assign (residue 21 and name H1') (residue 22 and name H5')    3.80  2.00  0.70 
assign (residue 21 and name H1') (residue 22 and name H5'')   5.00  2.00  1.00 
assign (residue 21 and name H1') (residue 22 and name H51)    3.80  2.00  0.70 
assign (residue 21 and name H1') (residue 22 and name H6)     3.80  2.00  0.70 
assign (residue 21 and name H2') (residue 21 and name H8)     2.50  0.70  0.50 
assign (residue 21 and name H2') (residue 22 and name H4')    6.00  2.00  1.00 
assign (residue 21 and name H2') (residue 22 and name H5')    5.00  2.00  1.00 
assign (residue 21 and name H2') (residue 22 and name H5'')   5.00  2.00  1.00 
assign (residue 21 and name H2') (residue 22 and name H51)    3.80  2.00  0.70 
assign (residue 21 and name H2') (residue 22 and name H6)     3.80  2.00  0.70 
assign (residue 21 and name H2'') (residue 21 and name H8)    3.80  2.00  0.70 
assign (residue 21 and name H2'') (residue 22 and name H2'')  6.00  2.00  1.00 
assign (residue 21 and name H2'') (residue 22 and name H3')   5.00  2.00  1.00 
assign (residue 21 and name H2'') (residue 22 and name H4')   5.00  2.00  1.00 
assign (residue 21 and name H2'') (residue 22 and name H5')   5.00  2.00  1.00 
assign (residue 21 and name H2'') (residue 22 and name H5'')  5.00  2.00  1.00 
assign (residue 21 and name H2'') (residue 22 and name H51)   3.80  2.00  0.70 
assign (residue 21 and name H2'') (residue 22 and name H6)    3.80  2.00  0.70 
assign (residue 21 and name H3') (residue 21 and name H8)     5.00  2.00  1.00 
assign (residue 21 and name H3') (residue 22 and name H51)    3.80  2.00  0.70 
assign (residue 21 and name H3') (residue 22 and name H6)     5.00  2.00  1.00 
assign (residue 21 and name H4') (residue 21 and name H8)     5.00  2.00  1.00 
assign (residue 21 and name H4') (residue 22 and name H51)    6.00  2.00  1.00 
assign (residue 21 and name H4') (residue 22 and name H6)     6.00  2.00  1.00 
assign (residue 21 and name H5') (residue 21 and name H8)     5.00  2.00  1.00 
assign (residue 21 and name H5') (residue 22 and name H51)    6.00  2.00  1.00 
assign (residue 21 and name H5') (residue 22 and name H6)     6.00  2.00  1.00 
assign (residue 21 and name H5'') (residue 21 and name H8)    5.00  2.00  1.00 
assign (residue 21 and name H2) (residue 22 and name H1')     5.00  2.00  1.00 
assign (residue 21 and name H2) (residue 22 and name H51)     6.00  2.00  1.00 
assign (residue 21 and name H2) (residue 22 and name H6)      6.00  2.00  1.00 
assign (residue 21 and name H2) (residue  9 and name H1')     6.00  2.00  1.00 
assign (residue 21 and name H8) (residue 22 and name H51)     3.80  2.00  0.70 
assign (residue 21 and name H8) (residue 22 and name H6)      3.80  2.00  0.70 
assign (residue 21 and name H2) (residue 22 and name H3)      5.00  2.00  1.00 
assign (residue 21 and name H2) (residue  8 and name H3)      2.50  0.70  0.50 
assign (residue 21 and name H2) (residue  9 and name H1)      3.80  2.00  0.70 
assign (residue 21 and name H61) (residue 22 and name H3)     5.00  2.00  1.00 
assign (residue 21 and name H61) (residue  8 and name H3)     2.50  0.70  0.50 
assign (residue 21 and name H61) (residue  9 and name H1)     3.80  2.00  0.70 
assign (residue 21 and name H62) (residue 22 and name H3)     5.00  2.00  1.00 
assign (residue 21 and name H62) (residue  8 and name H3)     5.00  2.00  1.00 
assign (residue 21 and name H62) (residue  9 and name H1)     5.00  2.00  1.00 

!------

{T22}
assign (residue 22 and name H1') (residue 22 and name H51)    5.00  2.00  1.00 
assign (residue 22 and name H1') (residue 22 and name H6)     3.80  2.00  0.70 
assign (residue 22 and name H1') (residue 23 and name H2')    6.00  2.00  1.00 
assign (residue 22 and name H1') (residue 23 and name H2'')   6.00  2.00  1.00 
assign (residue 22 and name H1') (residue 23 and name H4')    5.00  2.00  1.00 
assign (residue 22 and name H1') (residue 23 and name H5')    3.80  2.00  0.70 
assign (residue 22 and name H1') (residue 23 and name H5'')   5.00  2.00  1.00 
assign (residue 22 and name H1') (residue 23 and name H8)     3.80  2.00  0.70 
assign (residue 22 and name H2') (residue 22 and name H51)    5.00  2.00  1.00 
assign (residue 22 and name H2') (residue 22 and name H6)     2.50  0.70  0.50 
assign (residue 22 and name H2') (residue 23 and name H8)     3.80  2.00  0.70 
assign (residue 22 and name H2'') (residue 22 and name H51)   5.00  2.00  1.00 
assign (residue 22 and name H2'') (residue 22 and name H6)    3.80  2.00  0.70 
assign (residue 22 and name H2'') (residue 23 and name H1')   5.00  2.00  1.00 
assign (residue 22 and name H2'') (residue 23 and name H2'')  6.00  2.00  1.00 
assign (residue 22 and name H2'') (residue 23 and name H3')   5.00  2.00  1.00 
assign (residue 22 and name H2'') (residue 23 and name H4')   5.00  2.00  1.00 
assign (residue 22 and name H2'') (residue 23 and name H8)    3.80  2.00  0.70 
assign (residue 22 and name H3') (residue 22 and name H51)    5.00  2.00  1.00 
assign (residue 22 and name H3') (residue 22 and name H6)     3.80  2.00  0.70 
assign (residue 22 and name H3') (residue 23 and name H8)     5.00  2.00  1.00 
assign (residue 22 and name H4') (residue 22 and name H51)    6.00  2.00  1.00 
assign (residue 22 and name H4') (residue 22 and name H6)     5.00  2.00  1.00 
assign (residue 22 and name H4') (residue 23 and name H8)     5.00  2.00  1.00 
assign (residue 22 and name H5') (residue 22 and name H51)    6.00  2.00  1.00 
assign (residue 22 and name H5') (residue 22 and name H6)     5.00  2.00  1.00 
assign (residue 22 and name H5'') (residue 22 and name H51)   6.00  2.00  1.00 
assign (residue 22 and name H5'') (residue 22 and name H6)    6.00  2.00  1.00 
assign (residue 22 and name H51) (residue 23 and name H8)     6.00  2.00  1.00 
assign (residue 22 and name H6)  (residue 23 and name H8)     5.00  2.00  1.00 
assign (residue 22 and name H3) (residue 22 and name H1')     5.00  2.00  1.00 
assign (residue 22 and name H3) (residue 23 and name H1)      5.00  2.00  1.00 

!------

{G23}
assign (residue 23 and name H1') (residue 23 and name H8)    3.80  2.00  0.70 
assign (residue 23 and name H1') (residue 24 and name H1')   6.00  2.00  1.00 
assign (residue 23 and name H1') (residue 24 and name H2')   6.00  2.00  1.00 
assign (residue 23 and name H1') (residue 24 and name H2'')  6.00  2.00  1.00 
assign (residue 23 and name H1') (residue 24 and name H4')   6.00  2.00  1.00 
assign (residue 23 and name H1') (residue 24 and name H5')   5.00  2.00  1.00 
assign (residue 23 and name H1') (residue 24 and name H5'')  5.00  2.00  1.00 
assign (residue 23 and name H1') (residue 24 and name H8)    3.80  2.00  0.70 
assign (residue 23 and name H2') (residue 23 and name H8)    2.50  0.70  0.50 
assign (residue 23 and name H2') (residue 24 and name H8)    3.80  2.00  0.70 
assign (residue 23 and name H2'') (residue 23 and name H8)   3.80  2.00  0.70 
assign (residue 23 and name H2'') (residue 24 and name H4')  6.00  2.00  1.00 
assign (residue 23 and name H2'') (residue 24 and name H5')  5.00  2.00  1.00 
assign (residue 23 and name H2'') (residue 24 and name H5'') 5.00  2.00  1.00 
assign (residue 23 and name H2'') (residue 24 and name H8)   3.80  2.00  0.70 
assign (residue 23 and name H3') (residue 23 and name H8)    3.80  2.00  0.70 
assign (residue 23 and name H4') (residue 23 and name H8)    5.00  2.00  1.00 
assign (residue 23 and name H4') (residue 24 and name H8)    6.00  2.00  1.00 
assign (residue 23 and name H5') (residue 23 and name H8)    6.00  2.00  1.00 
assign (residue 23 and name H5') (residue 24 and name H8)    6.00  2.00  1.00 
assign (residue 23 and name H5'') (residue 23 and name H8)   6.00  2.00  1.00 
assign (residue 23 and name H8) (residue 24 and name H8)     3.80  2.00  0.70 
assign (residue 23 and name H1) (residue 24 and name H2)     3.80  2.00  0.70 
assign (residue 23 and name H1) (residue 24 and name H1')    6.00  2.00  1.00 

!------

{A24}
assign (residue 24 and name H1') (residue 24 and name H2)   5.00  2.00  1.00 
assign (residue 24 and name H1') (residue 24 and name H8)   3.80  2.00  0.70 
assign (residue 24 and name H1') (residue 25 and name H1')  6.00  2.00  1.00 
assign (residue 24 and name H1') (residue 25 and name H2')  6.00  2.00  1.00 
assign (residue 24 and name H1') (residue 25 and name H2'') 6.00  2.00  1.00 
assign (residue 24 and name H1') (residue 25 and name H4')  5.00  2.00  1.00 
assign (residue 24 and name H1') (residue 25 and name H5')  5.00  2.00  1.00 
assign (residue 24 and name H1') (residue 25 and name H5'') 5.00  2.00  1.00 
assign (residue 24 and name H1') (residue 25 and name H51)  3.80  2.00  0.70 
assign (residue 24 and name H1') (residue 25 and name H6)   3.80  2.00  0.70 
assign (residue 24 and name H2') (residue 24 and name H8)   3.80  2.00  0.70 
assign (residue 24 and name H2') (residue 25 and name H4')  6.00  2.00  1.00 
assign (residue 24 and name H2') (residue 25 and name H51)  3.80  2.00  0.70 
assign (residue 24 and name H2') (residue 25 and name H6)   3.80  2.00  0.70 
assign (residue 24 and name H2'') (residue 24 and name H8)  3.80  2.00  0.70 
assign (residue 24 and name H2'') (residue 25 and name H51) 3.80  2.00  0.70 
assign (residue 24 and name H2'') (residue 25 and name H6)  3.80  2.00  0.70 
assign (residue 24 and name H3') (residue 24 and name H8)   3.80  2.00  0.70 
assign (residue 24 and name H3') (residue 25 and name H51)  5.00  2.00  1.00 
assign (residue 24 and name H3') (residue 25 and name H6)   5.00  2.00  1.00 
assign (residue 24 and name H4') (residue 24 and name H8)   5.00  2.00  1.00 
assign (residue 24 and name H4') (residue 25 and name H51)  5.00  2.00  1.00 
assign (residue 24 and name H4') (residue 25 and name H6)   6.00  2.00  1.00 
assign (residue 24 and name H5') (residue 24 and name H8)   5.00  2.00  1.00 
assign (residue 24 and name H5') (residue 25 and name H51)  6.00  2.00  1.00 
assign (residue 24 and name H5'') (residue 24 and name H8)  5.00  2.00  1.00 
assign (residue 24 and name H5'') (residue 25 and name H51) 6.00  2.00  1.00 
assign (residue 24 and name H2) (residue 25 and name H1')   5.00  2.00  1.00 
assign (residue 24 and name H2) (residue 25 and name H51)   5.00  2.00  1.00 
assign (residue 24 and name H2) (residue 25 and name H6)    6.00  2.00  1.00 
assign (residue 24 and name H2) (residue  5 and name H1')   6.00  2.00  1.00 
assign (residue 24 and name H2) (residue  6 and name H1')   5.00  2.00  1.00 
assign (residue 24 and name H8) (residue 25 and name H5')   6.00  2.00  1.00 
assign (residue 24 and name H8) (residue 25 and name H51)   3.80  2.00  0.70 
assign (residue 24 and name H8) (residue 25 and name H6)    5.00  2.00  1.00 
assign (residue 24 and name H2) (residue 25 and name H3)    6.00  2.00  1.00 

!------

{T25}
assign (residue 25 and name H1') (residue 25 and name H51)   5.00  2.00  1.00 
assign (residue 25 and name H1') (residue 25 and name H6)    3.80  2.00  0.70 
assign (residue 25 and name H1') (residue 26 and name H1')   6.00  2.00  1.00 
assign (residue 25 and name H1') (residue 26 and name H3')   6.00  2.00  1.00 
assign (residue 25 and name H1') (residue 26 and name H4')   6.00  2.00  1.00 
assign (residue 25 and name H1') (residue 26 and name H8)    5.00  2.00  1.00 
assign (residue 25 and name H2') (residue 25 and name H51)   5.00  2.00  1.00 
assign (residue 25 and name H2') (residue 25 and name H6)    2.50  0.70  0.50 
assign (residue 25 and name H2') (residue 26 and name H8)    3.80  2.00  0.70 
assign (residue 25 and name H2'') (residue 25 and name H51)  6.00  2.00  1.00 
assign (residue 25 and name H2'') (residue 25 and name H6)   3.80  2.00  0.70 
assign (residue 25 and name H2'') (residue 26 and name H3')  6.00  2.00  1.00 
assign (residue 25 and name H2'') (residue 26 and name H8)   3.80  2.00  0.70 
assign (residue 25 and name H3') (residue 25 and name H51)   6.00  2.00  1.00 
assign (residue 25 and name H3') (residue 25 and name H6)    3.80  2.00  0.70 
assign (residue 25 and name H3') (residue 26 and name H2')   6.00  2.00  1.00 
assign (residue 25 and name H3') (residue 26 and name H8)    3.80  2.00  0.70 
assign (residue 25 and name H4') (residue 25 and name H51)   6.00  2.00  1.00 
assign (residue 25 and name H4') (residue 25 and name H6)    5.00  2.00  1.00 
assign (residue 25 and name H4') (residue 26 and name H8)    5.00  2.00  1.00 
assign (residue 25 and name H5') (residue 25 and name H51)   6.00  2.00  1.00 
assign (residue 25 and name H5') (residue 25 and name H6)    5.00  2.00  1.00 
assign (residue 25 and name H5') (residue 26 and name H8)    6.00  2.00  1.00 
assign (residue 25 and name H5'') (residue 25 and name H51)  6.00  2.00  1.00 
assign (residue 25 and name H5'') (residue 25 and name H6)   5.00  2.00  1.00 
assign (residue 25 and name H5'') (residue 26 and name H8)   6.00  2.00  1.00 
assign (residue 25 and name H51) (residue 26 and name H8)    6.00  2.00  1.00 
assign (residue 25 and name H6) (residue 26 and name H2)     6.00  2.00  1.00 
assign (residue 25 and name H6) (residue 26 and name H8)     5.00  2.00  1.00 

!----

{A26}
assign (residue 26 and name H1') (residue 26 and name H2)    5.00  2.00  1.00 
assign (residue 26 and name H1') (residue 26 and name H8)    3.80  2.00  0.70 
assign (residue 26 and name H1') (residue 27 and name H1')   5.00  2.00  1.00 
assign (residue 26 and name H1') (residue 27 and name H2')   6.00  2.00  1.00 
assign (residue 26 and name H1') (residue 27 and name H2'')  6.00  2.00  1.00 
assign (residue 26 and name H1') (residue 27 and name H3')   6.00  2.00  1.00 
assign (residue 26 and name H1') (residue 27 and name H4')   6.00  2.00  1.00 
assign (residue 26 and name H1') (residue 27 and name H5)    3.80  2.00  0.70 
assign (residue 26 and name H1') (residue 27 and name H6)    3.80  2.00  0.70 
assign (residue 26 and name H2') (residue 26 and name H8)    3.80  2.00  0.70 
assign (residue 26 and name H2') (residue 27 and name H5)    3.80  2.00  0.70 
assign (residue 26 and name H2') (residue 27 and name H6)    3.80  2.00  0.70 
assign (residue 26 and name H2'') (residue 26 and name H8)   3.80  2.00  0.70 
assign (residue 26 and name H2'') (residue 27 and name H1')  6.00  2.00  1.00 
assign (residue 26 and name H2'') (residue 27 and name H2')  6.00  2.00  1.00 
assign (residue 26 and name H2'') (residue 27 and name H2'') 6.00  2.00  1.00 
assign (residue 26 and name H2'') (residue 27 and name H3')  5.00  2.00  1.00 
assign (residue 26 and name H2'') (residue 27 and name H4')  5.00  2.00  1.00 
assign (residue 26 and name H2'') (residue 27 and name H5)   3.80  2.00  0.70 
assign (residue 26 and name H2'') (residue 27 and name H6)   3.80  2.00  0.70 
assign (residue 26 and name H3') (residue 26 and name H8)    3.80  2.00  0.70 
assign (residue 26 and name H3') (residue 27 and name H5)    5.00  2.00  1.00 
assign (residue 26 and name H3') (residue 27 and name H6)    5.00  2.00  1.00 
assign (residue 26 and name H4') (residue 26 and name H8)    5.00  2.00  1.00 
assign (residue 26 and name H4') (residue 27 and name H5)    6.00  2.00  1.00 
assign (residue 26 and name H4') (residue 27 and name H6)    6.00  2.00  1.00 
assign (residue 26 and name H5') (residue 26 and name H8)    5.00  2.00  1.00 
assign (residue 26 and name H5'') (residue 26 and name H8)   6.00  2.00  1.00 
assign (residue 26 and name H5'') (residue 27 and name H6)   6.00  2.00  1.00 
assign (residue 26 and name H2) (residue 27 and name H1')    5.00  2.00  1.00 
assign (residue 26 and name H2) (residue 27 and name H5)     6.00  2.00  1.00 
assign (residue 26 and name H8) (residue 27 and name H5)     3.80  2.00  0.70 
assign (residue 26 and name H8) (residue 27 and name H6)     3.80  2.00  0.70 

!------

{C27}
assign (residue 27 and name H1') (residue 27 and name H5)    6.00  2.00  1.00 
assign (residue 27 and name H1') (residue 27 and name H6)    3.80  2.00  0.70 
assign (residue 27 and name H1') (residue 28 and name H1')   6.00  2.00  1.00 
assign (residue 27 and name H1') (residue 28 and name H4')   6.00  2.00  1.00 
assign (residue 27 and name H1') (residue 28 and name H8)    3.80  2.00  0.70 
assign (residue 27 and name H2') (residue 27 and name H5)    3.80  2.00  0.70 
assign (residue 27 and name H2') (residue 27 and name H6)    2.50  0.70  0.50 
assign (residue 27 and name H2') (residue 28 and name H8)    3.80  2.00  0.70 
assign (residue 27 and name H2'') (residue 27 and name H5)   5.00  2.00  1.00 
assign (residue 27 and name H2'') (residue 27 and name H6)   3.80  2.00  0.70 
assign (residue 27 and name H2'') (residue 28 and name H1')  6.00  2.00  1.00 
assign (residue 27 and name H2'') (residue 28 and name H4')  5.00  2.00  1.00 
assign (residue 27 and name H2'') (residue 28 and name H8)   3.80  2.00  0.70 
assign (residue 27 and name H3') (residue 27 and name H5)    5.00  2.00  1.00 
assign (residue 27 and name H3') (residue 27 and name H6)    3.80  2.00  0.70 
assign (residue 27 and name H3') (residue 28 and name H4')   6.00  2.00  1.00 
assign (residue 27 and name H3') (residue 28 and name H8)    3.80  2.00  0.70 
assign (residue 27 and name H4') (residue 27 and name H5)    6.00  2.00  1.00 
assign (residue 27 and name H4') (residue 27 and name H6)    5.00  2.00  1.00 
assign (residue 27 and name H5') (residue 27 and name H5)    6.00  2.00  1.00 
assign (residue 27 and name H5') (residue 27 and name H6)    6.00  2.00  1.00 
assign (residue 27 and name H5'') (residue 27 and name H5)   6.00  2.00  1.00 
assign (residue 27 and name H5'') (residue 27 and name H6)   5.00  2.00  1.00 
assign (residue 27 and name H5) (residue 28 and name H8)     6.00  2.00  1.00 
assign (residue 27 and name H6) (residue 28 and name H8)     5.00  2.00  1.00
assign (residue 27 and name H42)(residue 28 and name H1)     6.00  2.00  1.00 
assign (residue 27 and name H6) (residue 28 and name H1)     6.00  2.00  1.00 

!----

{G28}
assign (residue 28 and name H1') (residue 28 and name H8)    3.80  2.00  0.70 
assign (residue 28 and name H2') (residue 28 and name H8)    2.50  0.70  0.50 
assign (residue 28 and name H2'') (residue 28 and name H8)   3.80  2.00  0.70 
assign (residue 28 and name H3') (residue 28 and name H8)    3.80  2.00  0.70 
assign (residue 28 and name H4') (residue 28 and name H8)    5.00  2.00  1.00 
assign (residue 28 and name H5') (residue 28 and name H8)    5.00  2.00  1.00 
assign (residue 28 and name H5'') (residue 28 and name H8)   5.00  2.00  1.00


!---------------------------------------------------------------------------------------------------------------



{angles_for sugar puckering}


restraints dihedral
           nassign=1000

  for $1 in (

{====>}                            {* Select nucleotides to be restrained. *}

 1 2 3 5 6 7 8 9 10 12 13 14 15 16 17 19 20 21 22 23 24 26 27 28
            ) loop dihe

	    evaluate($a=$1+1)
	    evaluate($b=$1-1)


	   assign  ( resid $b and name O3' )
                   ( resid $1 and name P )
                   ( resid $1 and name O5' )
                   ( resid $1 and name C5' ) 50.0  -70.0 20.0 2 {* alpha *}

	   assign  ( resid $1 and name P )
                   ( resid $1 and name O5' )
                   ( resid $1 and name C5' )
                   ( resid $1 and name C4' ) 50.0  180.0 20.0 2 {* beta *}

           assign  ( resid $1 and name O5' )
                   ( resid $1 and name C5' )
                   ( resid $1 and name C4' )
                   ( resid $1 and name C3' ) 50.0   60.0 20.0 2 {* gamma *}

	   assign  ( resid $1 and name c5' )
                   ( resid $1 and name c4' )
                   ( resid $1 and name c3' )
                   ( resid $1 and name o3' ) 50.0  140.0 25.0 2 {* delta *}

           assign  ( resid $1 and name c4' )
                   ( resid $1 and name c3' )
                   ( resid $1 and name o3' )
                   ( resid $a and name P )   50.0 -170.0 20.0 2 {* epsilon *}

	   assign  ( resid $1 and name C3' )
                   ( resid $1 and name O3' )
                   ( resid $a and name P )
                   ( resid $a and name O5' ) 50.0  -85.0 20.0 2 {* zeta *}


 end loop dihe



  for $1 in (

{====>}                            {* Select purines to be restrained. *}

 2 7 9 10 12 14 16 21 23 24 26 28
            ) loop dihe

           assign  ( resid $1 and name O4' )
                   ( resid $1 and name C1' )
                   ( resid $1 and name N9 )
                   ( resid $1 and name C4 ) 50.0 -120.0 20.0 2 {* chi *}

end loop dihe


 for $1 in (

{====>}                            {* Select pyrimidines to be restrained. *}

 1 3 5 6 8 13 15 17 19 20 22 27 
            ) loop dihe

           assign  ( resid $1 and name O4' )
                   ( resid $1 and name C1' )
                   ( resid $1 and name N1 )
                   ( resid $1 and name C2 ) 50.0 -120.00 20.0 2 {* chi *}

end loop dihe


!---------------------------------------------------------------------------------------------------------------

{H-bond_for base pair fix}


{C1-G28}
{GUA28}                        {CYT1}
assign (resid 28 and name H1)  (resid 1 and name N3)   1.90 0.20 0.20
assign (resid 28 and name N1)  (resid 1 and name N3)   2.90 0.30 0.30
assign (resid 28 and name O6)  (resid 1 and name H41)  2.00 0.20 0.20
assign (resid 28 and name O6)  (resid 1 and name N4)   2.90 0.30 0.30
assign (resid 28 and name H21) (resid 1 and name O2)   2.00 0.20 0.20
assign (resid 28 and name N2)  (resid 1 and name O2)   2.90 0.30 0.30


{G2-C27}
{GUA2}                        {CYT27}
assign (resid 2 and name H1)  (resid 27 and name N3)   1.90 0.20 0.20
assign (resid 2 and name N1)  (resid 27 and name N3)   2.90 0.30 0.30
assign (resid 2 and name O6)  (resid 27 and name H41)  2.00 0.20 0.20
assign (resid 2 and name O6)  (resid 27 and name N4)   2.90 0.30 0.30
assign (resid 2 and name H21) (resid 27 and name O2)   2.00 0.20 0.20
assign (resid 2 and name N2)  (resid 27 and name O2)   2.90 0.30 0.30


{T3-A26}
{THY3}                      {ADE26}
assi (resi 3 and name   H3) (resi 26  and name   N1)   1.90 0.10 0.10
assi (resi 3 and name   N3) (resi 26  and name   N1)   2.90 0.10 0.10
assi (resi 3 and name   O4) (resi 26  and name  H61)   1.90 0.10 0.10
assi (resi 3 and name   O4) (resi 26  and name   N6)   2.90 0.10 0.10


{T5-A24}
{THY5}                      {ADE24}
assi (resi 5 and name   H3) (resi 24  and name   N1)   1.90 0.10 0.10
assi (resi 5 and name   N3) (resi 24  and name   N1)   2.90 0.10 0.10
assi (resi 5 and name   O4) (resi 24  and name  H61)   1.90 0.10 0.10
assi (resi 5 and name   O4) (resi 24  and name   N6)   2.90 0.10 0.10


{C6-G23}
{GUA23}                         {CYT6}
assign (resid 23 and name H1)  (resid 6 and name N3)   1.90 0.20 0.20
assign (resid 23 and name N1)  (resid 6 and name N3)   2.90 0.30 0.30
assign (resid 23 and name O6)  (resid 6 and name H41)  2.00 0.20 0.20
assign (resid 23 and name O6)  (resid 6 and name N4)   2.90 0.30 0.30
assign (resid 23 and name H21) (resid 6 and name O2)   2.00 0.20 0.20
assign (resid 23 and name N2)  (resid 6 and name O2)   2.90 0.30 0.30


{A7-T22}
{THY22}                      {ADE7}
assi (resi 22 and name   H3) (resi 7  and name   N1)   1.90 0.10 0.10
assi (resi 22 and name   N3) (resi 7  and name   N1)   2.90 0.10 0.10
assi (resi 22 and name   O4) (resi 7  and name  H61)   1.90 0.10 0.10
assi (resi 22 and name   O4) (resi 7  and name   N6)   2.90 0.10 0.10


!----


{T8-A21}
{THY8}                      {ADE21}
assi (resi 8 and name   H3) (resi 21  and name   N1)   1.90 0.10 0.10
assi (resi 8 and name   N3) (resi 21  and name   N1)   2.90 0.10 0.10
assi (resi 8 and name   O4) (resi 21  and name  H61)   1.90 0.10 0.10
assi (resi 8 and name   O4) (resi 21  and name   N6)   2.90 0.10 0.10


{G9-C20}
{GUA9}                         {CYT20}
assign (resid 9 and name H1)  (resid 20 and name N3)   1.90 0.20 0.20
assign (resid 9 and name N1)  (resid 20 and name N3)   2.90 0.30 0.30
assign (resid 9 and name O6)  (resid 20 and name H41)  2.00 0.20 0.20
assign (resid 9 and name O6)  (resid 20 and name N4)   2.90 0.30 0.30
assign (resid 9 and name H21) (resid 20 and name O2)   2.00 0.20 0.20
assign (resid 9 and name N2)  (resid 20 and name O2)   2.90 0.30 0.30


{A10-T19}
{THY19}                      {ADE10}
assi (resi 19 and name   H3) (resi 10  and name   N1)   1.90 0.10 0.10
assi (resi 19 and name   N3) (resi 10  and name   N1)   2.90 0.10 0.10
assi (resi 19 and name   O4) (resi 10  and name  H61)   1.90 0.10 0.10
assi (resi 19 and name   O4) (resi 10  and name   N6)   2.90 0.10 0.10


{A12-T17}
{THY17}                      {ADE12}
assi (resi 17 and name   H3) (resi 12  and name   N1)   1.90 0.10 0.10
assi (resi 17 and name   N3) (resi 12  and name   N1)   2.90 0.10 0.10
assi (resi 17 and name   O4) (resi 12  and name  H61)   1.90 0.10 0.10
assi (resi 17 and name   O4) (resi 12  and name   N6)   2.90 0.10 0.10


{C13-G16}
{GUA16}                         {CYT13}
assign (resid 16 and name H1)  (resid 13 and name N3)   1.90 0.20 0.20
assign (resid 16 and name N1)  (resid 13 and name N3)   2.90 0.30 0.30
assign (resid 16 and name O6)  (resid 13 and name H41)  2.00 0.20 0.20
assign (resid 16 and name O6)  (resid 13 and name N4)   2.90 0.30 0.30
assign (resid 16 and name H21) (resid 13 and name O2)   2.00 0.20 0.20
assign (resid 16 and name N2)  (resid 13 and name O2)   2.90 0.30 0.30


{G14-C15}
{GUA14}                         {CYT15}
assign (resid 14 and name H1)  (resid 15 and name N3)   1.90 0.20 0.20
assign (resid 14 and name N1)  (resid 15 and name N3)   2.90 0.30 0.30
assign (resid 14 and name O6)  (resid 15 and name H41)  2.00 0.20 0.20
assign (resid 14 and name O6)  (resid 15 and name N4)   2.90 0.30 0.30
assign (resid 14 and name H21) (resid 15 and name O2)   2.00 0.20 0.20
assign (resid 14 and name N2)  (resid 15 and name O2)   2.90 0.30 0.30


!---------------------------------------------------------------------------------------------------------------


restraints plane

group
  select= ((resid 28 and (name n1 or name c6 or name c2)) or
              (resid 1 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 2 and (name n1 or name c6 or name c2)) or
              (resid 27 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 26 and (name n1 or name c6 or name c2)) or
              (resid 3 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 24 and (name n1 or name c6 or name c2)) or
              (resid 5 and (name n3)))
  weight=30.0
 end

group
  select= ((resid 23 and (name n1 or name c6 or name c2)) or
              (resid 6 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 7 and (name n1 or name c6 or name c2)) or
              (resid 22 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 21 and (name n1 or name c6 or name c2)) or
              (resid 8 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 9 and (name n1 or name c6 or name c2)) or
              (resid 20 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 10 and (name n1 or name c6 or name c2)) or
              (resid 19 and (name n3)))
  weight=30.0
 end

group
  select= ((resid 12 and (name n1 or name c6 or name c2)) or
              (resid 17 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 16 and (name n1 or name c6 or name c2)) or
              (resid 13 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 14 and (name n1 or name c6 or name c2)) or
              (resid 15 and (name n3)))
  weight=20.0
 end

!----

group
  select= ((resid 28 and (name n1)) or
              (resid 1 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 2 and (name n1)) or
              (resid 27 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 26 and (name n1)) or
              (resid 3 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 24 and (name n1)) or
              (resid 5 and (name n3 or name c2 or name c4)))
  weight=30.0
 end

group
  select= ((resid 23 and (name n1)) or
              (resid 6 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 7 and (name n1)) or
              (resid 22 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 21 and (name n1)) or
              (resid 8 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 9 and (name n1)) or
              (resid 20 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 10 and (name n1)) or
              (resid 19 and (name n3 or name c2 or name c4)))
  weight=30.0
 end

group
  select= ((resid 12 and (name n1)) or
              (resid 17 and (name n3 or name c2 or name c4)))
  weight=50.0
 end

group
  select= ((resid 16 and (name n1)) or
              (resid 13 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 14 and (name n1)) or
              (resid 15 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

end
!-----------------------------------------------------------------------------------------


RMSD: C-T_apo_duplex

  1 xp_ref_19
  2 xp_ref_13
  3 xp_ref_14
  4 xp_ref_15
  5 xp_ref_16
  6 xp_ref_17
  7 xp_ref_18
  8 xp_ref_20
  9 xp_ref_21
 10 xp_ref_1
 11 xp_ref_2
 12 xp_ref_3
 13 xp_ref_4
 14 xp_ref_5
 15 xp_ref_6
 16 xp_ref_8
 17 xp_ref_9
 18 xp_ref_10
 19 xp_ref_11
 20 xp_ref_12

RMSD table:

        1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  1       0.77 0.47 0.42 0.59 0.22 0.78 0.27 0.36 0.98 0.16 0.66 0.53 0.27 0.40 0.74 0.39 0.21 0.48 0.38
  2  0.65      0.49 0.77 1.25 0.88 0.35 0.93 0.84 0.64 0.81 0.45 1.19 0.91 0.59 0.46 1.01 0.67 0.72 0.87
  3  0.39 0.41      0.67 1.01 0.54 0.40 0.61 0.68 0.90 0.53 0.60 0.93 0.65 0.26 0.65 0.61 0.49 0.67 0.73
  4  0.38 0.64 0.53      0.55 0.54 0.90 0.53 0.20 0.72 0.43 0.47 0.50 0.31 0.65 0.53 0.71 0.34 0.15 0.21
  5  0.54 1.04 0.82 0.45      0.56 1.32 0.53 0.48 1.25 0.57 0.99 0.19 0.38 0.91 1.06 0.66 0.62 0.65 0.42
  6  0.24 0.70 0.41 0.45 0.51      0.88 0.25 0.46 1.14 0.27 0.80 0.53 0.32 0.41 0.88 0.25 0.31 0.62 0.46
  7  0.66 0.33 0.37 0.76 1.10 0.71      0.89 0.96 0.89 0.82 0.65 1.24 0.95 0.52 0.71 0.96 0.75 0.87 0.97
  8  0.30 0.77 0.50 0.42 0.44 0.27 0.74      0.49 1.16 0.26 0.82 0.49 0.30 0.48 0.92 0.34 0.37 0.63 0.43
  9  0.35 0.71 0.54 0.20 0.40 0.39 0.82 0.42      0.84 0.40 0.59 0.41 0.26 0.64 0.62 0.61 0.32 0.27 0.25
 10  0.83 0.57 0.73 0.60 1.01 0.92 0.80 0.95 0.70      1.03 0.40 1.19 0.99 1.01 0.29 1.29 0.89 0.63 0.89
 11  0.20 0.68 0.43 0.35 0.48 0.25 0.70 0.24 0.34 0.84      0.69 0.50 0.25 0.47 0.80 0.44 0.27 0.49 0.36
 12  0.64 0.43 0.56 0.43 0.84 0.71 0.65 0.73 0.55 0.34 0.62      0.92 0.68 0.69 0.24 0.97 0.57 0.39 0.61
 13  0.53 1.02 0.79 0.44 0.19 0.52 1.07 0.45 0.38 1.00 0.47 0.82      0.30 0.87 1.00 0.63 0.58 0.58 0.41
 14  0.32 0.76 0.54 0.25 0.31 0.33 0.82 0.28 0.24 0.81 0.25 0.60 0.28      0.60 0.78 0.48 0.32 0.40 0.24
 15  0.44 0.51 0.31 0.62 0.85 0.39 0.42 0.50 0.62 0.90 0.51 0.72 0.84 0.62      0.74 0.47 0.40 0.70 0.66
 16  0.62 0.39 0.51 0.46 0.88 0.70 0.61 0.76 0.53 0.30 0.66 0.30 0.86 0.65 0.64      1.02 0.64 0.45 0.70
 17  0.36 0.83 0.49 0.61 0.61 0.23 0.77 0.35 0.53 1.07 0.41 0.89 0.61 0.48 0.42 0.83      0.49 0.79 0.65
 18  0.26 0.57 0.40 0.31 0.53 0.28 0.66 0.33 0.31 0.74 0.24 0.53 0.54 0.30 0.48 0.56 0.45      0.41 0.31
 19  0.44 0.62 0.54 0.15 0.53 0.53 0.76 0.52 0.26 0.52 0.40 0.37 0.50 0.33 0.68 0.41 0.69 0.37      0.32
 20  0.39 0.72 0.59 0.19 0.36 0.43 0.83 0.36 0.26 0.72 0.32 0.53 0.40 0.21 0.67 0.60 0.60 0.28 0.28     

residues considered: 4,11,18,25

mean global bb    RMSD:  0.61 +/-  0.26 A  ( 0.15.. 1.32 A)
mean global heavy RMSD:  0.54 +/-  0.21 A  ( 0.15.. 1.10 A)

average RMSD of each structure to the rest:
structure   1 (bb   ): 0.48 +/-  0.23 A  ( 0.16.. 0.98 A)
              (heavy): 0.45 +/-  0.17 A  ( 0.20.. 0.83 A)
structure   2 (bb   ): 0.77 +/-  0.24 A  ( 0.35.. 1.25 A)
              (heavy): 0.65 +/-  0.19 A  ( 0.33.. 1.04 A)
structure   3 (bb   ): 0.63 +/-  0.18 A  ( 0.26.. 1.01 A)
              (heavy): 0.52 +/-  0.14 A  ( 0.31.. 0.82 A)
structure   4 (bb   ): 0.51 +/-  0.20 A  ( 0.15.. 0.90 A)
              (heavy): 0.43 +/-  0.17 A  ( 0.15.. 0.76 A)
structure   5 (bb   ): 0.74 +/-  0.33 A  ( 0.19.. 1.32 A)
              (heavy): 0.63 +/-  0.27 A  ( 0.19.. 1.10 A)
structure   6 (bb   ): 0.54 +/-  0.26 A  ( 0.22.. 1.14 A)
              (heavy): 0.47 +/-  0.20 A  ( 0.23.. 0.92 A)
structure   7 (bb   ): 0.83 +/-  0.24 A  ( 0.35.. 1.32 A)
              (heavy): 0.71 +/-  0.20 A  ( 0.33.. 1.10 A)
structure   8 (bb   ): 0.56 +/-  0.27 A  ( 0.25.. 1.16 A)
              (heavy): 0.49 +/-  0.20 A  ( 0.24.. 0.95 A)
structure   9 (bb   ): 0.51 +/-  0.22 A  ( 0.20.. 0.96 A)
              (heavy): 0.45 +/-  0.18 A  ( 0.20.. 0.82 A)
structure  10 (bb   ): 0.90 +/-  0.27 A  ( 0.29.. 1.29 A)
              (heavy): 0.76 +/-  0.22 A  ( 0.30.. 1.07 A)
structure  11 (bb   ): 0.50 +/-  0.23 A  ( 0.16.. 1.03 A)
              (heavy): 0.44 +/-  0.19 A  ( 0.20.. 0.84 A)
structure  12 (bb   ): 0.64 +/-  0.20 A  ( 0.24.. 0.99 A)
              (heavy): 0.59 +/-  0.17 A  ( 0.30.. 0.89 A)
structure  13 (bb   ): 0.68 +/-  0.31 A  ( 0.19.. 1.24 A)
              (heavy): 0.62 +/-  0.26 A  ( 0.19.. 1.07 A)
structure  14 (bb   ): 0.50 +/-  0.26 A  ( 0.24.. 0.99 A)
              (heavy): 0.44 +/-  0.21 A  ( 0.21.. 0.82 A)
structure  15 (bb   ): 0.60 +/-  0.19 A  ( 0.26.. 1.01 A)
              (heavy): 0.59 +/-  0.17 A  ( 0.31.. 0.90 A)
structure  16 (bb   ): 0.70 +/-  0.23 A  ( 0.24.. 1.06 A)
              (heavy): 0.59 +/-  0.17 A  ( 0.30.. 0.88 A)
structure  17 (bb   ): 0.67 +/-  0.27 A  ( 0.25.. 1.29 A)
              (heavy): 0.59 +/-  0.21 A  ( 0.23.. 1.07 A)
structure  18 (bb   ): 0.47 +/-  0.18 A  ( 0.21.. 0.89 A)
              (heavy): 0.43 +/-  0.15 A  ( 0.24.. 0.74 A)
structure  19 (bb   ): 0.54 +/-  0.19 A  ( 0.15.. 0.87 A)
              (heavy): 0.47 +/-  0.16 A  ( 0.15.. 0.76 A)
structure  20 (bb   ): 0.52 +/-  0.24 A  ( 0.21.. 0.97 A)
              (heavy): 0.46 +/-  0.19 A  ( 0.19.. 0.83 A)

residue number
average global displacements: bb, heavy, heavysc
average local RMSDs (3 residues): bb
average local displacements: bb, heavy, heavysc
(relative to mean)
residue name
  1   CYT
  2   GUA
  3   THY
  4   CYT
  5   THY
  6   CYT
  7   ADE
  8   THY
  9   GUA
 10   ADE
 11   THY
 12   ADE
 13   CYT
 14   GUA
 15   CYT
 16   GUA
 17   THY
 18   CYT
 19   THY
 20   CYT
 21   ADE
 22   THY
 23   GUA
 24   ADE
 25   THY
 26   ADE
 27   CYT
 28   GUA

 !-----------------------------------------------------------------------------------------
 
 RMSD: overall_and_helix_apo_duplex
 
   1 xp_ref_19
  2 xp_ref_13
  3 xp_ref_14
  4 xp_ref_15
  5 xp_ref_16
  6 xp_ref_17
  7 xp_ref_18
  8 xp_ref_20
  9 xp_ref_21
 10 xp_ref_1
 11 xp_ref_2
 12 xp_ref_3
 13 xp_ref_4
 14 xp_ref_5
 15 xp_ref_6
 16 xp_ref_8
 17 xp_ref_9
 18 xp_ref_10
 19 xp_ref_11
 20 xp_ref_12

RMSD table:

        1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  1       0.89 0.69 0.47 0.80 0.62 1.01 0.42 0.31 1.11 0.40 0.92 0.55 0.47 0.74 0.88 0.42 0.33 0.67 0.69
  2  0.80      0.64 0.75 1.53 1.19 0.51 1.02 0.83 0.72 1.04 0.55 1.28 1.09 0.92 0.47 1.10 0.82 0.90 1.24
  3  0.60 0.55      0.83 1.40 1.17 0.64 0.95 0.74 0.87 0.80 0.68 1.03 0.86 1.00 0.69 0.85 0.70 0.91 1.19
  4  0.44 0.64 0.69      0.88 0.62 0.98 0.50 0.33 0.96 0.64 0.81 0.73 0.64 0.69 0.69 0.69 0.41 0.58 0.68
  5  0.65 1.29 1.15 0.75      0.76 1.72 0.71 0.85 1.61 0.74 1.50 0.59 0.67 1.18 1.45 0.80 0.88 0.91 0.49
  6  0.57 1.04 1.03 0.56 0.67      1.36 0.48 0.65 1.51 0.80 1.32 0.79 0.86 0.62 1.21 0.67 0.63 0.98 0.79
  7  0.91 0.46 0.54 0.87 1.47 1.23      1.14 1.01 0.80 1.12 0.59 1.44 1.22 1.05 0.61 1.18 0.98 1.04 1.41
  8  0.36 0.89 0.79 0.44 0.60 0.46 1.00      0.48 1.28 0.51 1.06 0.67 0.56 0.64 1.03 0.43 0.49 0.71 0.62
  9  0.30 0.71 0.62 0.31 0.69 0.60 0.89 0.42      1.06 0.57 0.89 0.61 0.57 0.75 0.79 0.57 0.33 0.68 0.71
 10  1.03 0.65 0.73 0.90 1.41 1.39 0.68 1.15 0.95      1.11 0.40 1.37 1.11 1.36 0.45 1.32 1.07 0.78 1.25
 11  0.35 0.91 0.67 0.57 0.60 0.73 0.99 0.44 0.47 1.00      0.95 0.57 0.32 0.92 0.97 0.50 0.49 0.53 0.54
 12  0.87 0.53 0.59 0.76 1.29 1.23 0.55 0.96 0.80 0.33 0.86      1.25 0.96 1.14 0.42 1.10 0.91 0.70 1.18
 13  0.48 1.12 0.88 0.66 0.47 0.71 1.26 0.57 0.54 1.24 0.49 1.11      0.47 1.14 1.18 0.70 0.60 0.84 0.61
 14  0.43 0.97 0.73 0.60 0.55 0.80 1.07 0.51 0.51 1.00 0.30 0.86 0.42      1.05 1.00 0.54 0.58 0.54 0.52
 15  0.68 0.85 0.92 0.64 1.02 0.53 0.99 0.59 0.70 1.28 0.85 1.11 1.01 0.97      1.06 0.72 0.72 1.01 1.08
 16  0.80 0.43 0.57 0.63 1.24 1.10 0.52 0.89 0.69 0.43 0.85 0.38 1.05 0.87 0.99      1.11 0.80 0.72 1.11
 17  0.38 0.97 0.76 0.61 0.66 0.57 1.05 0.37 0.52 1.19 0.44 1.02 0.61 0.52 0.63 0.97      0.61 0.80 0.80
 18  0.33 0.74 0.61 0.40 0.71 0.59 0.90 0.43 0.30 0.97 0.41 0.83 0.52 0.50 0.71 0.72 0.53      0.68 0.68
 19  0.60 0.77 0.72 0.53 0.80 0.90 0.89 0.63 0.57 0.69 0.46 0.60 0.74 0.47 0.95 0.61 0.70 0.57      0.57
 20  0.60 1.07 0.97 0.64 0.46 0.77 1.23 0.57 0.59 1.11 0.46 1.01 0.52 0.41 1.01 0.96 0.69 0.55 0.51     

mean global bb    RMSD:  0.83 +/-  0.29 A  ( 0.31.. 1.72 A)
mean global heavy RMSD:  0.74 +/-  0.26 A  ( 0.30.. 1.47 A)

average RMSD of each structure to the rest:
structure   1 (bb   ): 0.65 +/-  0.24 A  ( 0.31.. 1.11 A)
              (heavy): 0.59 +/-  0.22 A  ( 0.30.. 1.03 A)
structure   2 (bb   ): 0.92 +/-  0.28 A  ( 0.47.. 1.53 A)
              (heavy): 0.81 +/-  0.24 A  ( 0.43.. 1.29 A)
structure   3 (bb   ): 0.88 +/-  0.21 A  ( 0.64.. 1.40 A)
              (heavy): 0.74 +/-  0.17 A  ( 0.54.. 1.15 A)
structure   4 (bb   ): 0.68 +/-  0.17 A  ( 0.33.. 0.98 A)
              (heavy): 0.61 +/-  0.15 A  ( 0.31.. 0.90 A)
structure   5 (bb   ): 1.02 +/-  0.39 A  ( 0.49.. 1.72 A)
              (heavy): 0.87 +/-  0.34 A  ( 0.46.. 1.47 A)
structure   6 (bb   ): 0.90 +/-  0.30 A  ( 0.48.. 1.51 A)
              (heavy): 0.81 +/-  0.28 A  ( 0.46.. 1.39 A)
structure   7 (bb   ): 1.04 +/-  0.32 A  ( 0.51.. 1.72 A)
              (heavy): 0.92 +/-  0.28 A  ( 0.46.. 1.47 A)
structure   8 (bb   ): 0.72 +/-  0.27 A  ( 0.42.. 1.28 A)
              (heavy): 0.63 +/-  0.24 A  ( 0.36.. 1.15 A)
structure   9 (bb   ): 0.67 +/-  0.21 A  ( 0.31.. 1.06 A)
              (heavy): 0.59 +/-  0.18 A  ( 0.30.. 0.95 A)
structure  10 (bb   ): 1.06 +/-  0.33 A  ( 0.40.. 1.61 A)
              (heavy): 0.95 +/-  0.31 A  ( 0.33.. 1.41 A)
structure  11 (bb   ): 0.71 +/-  0.25 A  ( 0.32.. 1.12 A)
              (heavy): 0.62 +/-  0.23 A  ( 0.30.. 1.00 A)
structure  12 (bb   ): 0.91 +/-  0.30 A  ( 0.40.. 1.50 A)
              (heavy): 0.82 +/-  0.27 A  ( 0.33.. 1.29 A)
structure  13 (bb   ): 0.86 +/-  0.32 A  ( 0.47.. 1.44 A)
              (heavy): 0.76 +/-  0.29 A  ( 0.42.. 1.26 A)
structure  14 (bb   ): 0.74 +/-  0.27 A  ( 0.32.. 1.22 A)
              (heavy): 0.66 +/-  0.24 A  ( 0.30.. 1.07 A)
structure  15 (bb   ): 0.94 +/-  0.21 A  ( 0.62.. 1.36 A)
              (heavy): 0.86 +/-  0.20 A  ( 0.53.. 1.28 A)
structure  16 (bb   ): 0.88 +/-  0.28 A  ( 0.42.. 1.45 A)
              (heavy): 0.77 +/-  0.25 A  ( 0.38.. 1.24 A)
structure  17 (bb   ): 0.78 +/-  0.26 A  ( 0.42.. 1.32 A)
              (heavy): 0.69 +/-  0.24 A  ( 0.37.. 1.19 A)
structure  18 (bb   ): 0.67 +/-  0.21 A  ( 0.33.. 1.07 A)
              (heavy): 0.59 +/-  0.19 A  ( 0.30.. 0.97 A)
structure  19 (bb   ): 0.77 +/-  0.16 A  ( 0.53.. 1.04 A)
              (heavy): 0.67 +/-  0.15 A  ( 0.46.. 0.95 A)
structure  20 (bb   ): 0.85 +/-  0.30 A  ( 0.49.. 1.41 A)
              (heavy): 0.74 +/-  0.26 A  ( 0.41.. 1.23 A)

residue number
average global displacements: bb, heavy, heavysc
average local RMSDs (3 residues): bb
average local displacements: bb, heavy, heavysc
(relative to mean)
residue name
  1   CYT
  2   GUA
  3   THY
  4   CYT
  5   THY
  6   CYT
  7   ADE
  8   THY
  9   GUA
 10   ADE
 11   THY
 12   ADE
 13   CYT
 14   GUA
 15   CYT
 16   GUA
 17   THY
 18   CYT
 19   THY
 20   CYT
 21   ADE
 22   THY
 23   GUA
 24   ADE
 25   THY
 26   ADE
 27   CYT
 28   GUA
