*HEADER    DNA                                     19-MAR-99   1CFL              
*TITLE     DNA DECAMER DUPLEX CONTAINING T5-T6 PHOTOADDUCT                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)-            
*COMPND   3 3');                                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 BIOLOGICAL_UNIT: MONOMER;                                            
*COMPND   7 OTHER_DETAILS: BOND FORMED BETWEEN C6(T5) AND C4(T6);                
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: DNA (5'-D(*GP*CP*GP*TP*GP*AP*TP*GP*CP*G)-3');              
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 ENGINEERED: YES;                                                     
*COMPND  12 BIOLOGICAL_UNIT: MONOMER                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    NMR, DNA PHOTOPRODUCT, (6-4) ADDUCT, MUTAGENESIS,                     
*KEYWDS   2 DEOXYRIBONUCLEIC ACID                                                
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.-H.LEE, G.-S.HWANG, B.-S.CHOI                                       
*REVDAT   1   28-MAY-99 1CFL    0                                                

! DNA sequence

!     1  2  3  4  5     6  7  8  9  10

! 5'- C  G  C  A  T[6-4]T  A  C  G  C -3' : 64TT strand

! 3'- G  C  G  T  A     G  T  G  C  G -5' : CPGA strand

!     20 19 18 17 16    15 14 13 12 11

!

! ance restraints from NOESY in D2O solution



assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name H1'  and segid 64TT ) 2.81 0.20 0.35

assign ( resid  2 and name H8   and segid 64TT )

       ( resid  2 and name H1'  and segid 64TT ) 3.19 0.20 0.35

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name H1'  and segid 64TT ) 3.48 0.20 0.35

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  4 and name H1'  and segid 64TT ) 3.30 0.20 0.30

assign ( resid  5 and name H6   and segid 64TT )

       ( resid  5 and name H1'  and segid 64TT ) 3.96 0.20 0.30

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  6 and name H1'  and segid 64TT ) 3.32 0.20 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT ) 3.31 0.20 0.35

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name H1'  and segid 64TT ) 3.67 0.30 0.35

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name H1'  and segid 64TT ) 3.14 0.20 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name H1'  and segid 64TT ) 3.67 0.30 0.35

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name H1'  and segid CPGA ) 3.23 0.20 0.30

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name H1'  and segid CPGA ) 3.32 0.20 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name H1'  and segid CPGA ) 3.46 0.25 0.35

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA ) 3.11 0.20 0.25

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name H1'  and segid CPGA ) 2.98 0.20 0.25

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA ) 3.39 0.20 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name H1'  and segid CPGA ) 3.29 0.20 0.30

assign ( resid 20 and name H8   and segid CPGA )

       ( resid 20 and name H1'  and segid CPGA ) 3.06 0.30 0.35

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  2 and name H1'  and segid 64TT ) 3.02 0.20 0.20

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name H1'  and segid 64TT ) 3.20 0.20 0.25

assign ( resid  5 and name H6   and segid 64TT )

       ( resid  4 and name H1'  and segid 64TT ) 4.11 0.40 0.45

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name H1'  and segid 64TT ) 3.38 0.20 0.20

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT ) 3.17 0.20 0.20

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name H1'  and segid 64TT ) 3.08 0.20 0.20

assign ( resid 10 and name H6   and segid 64TT )

       ( resid  9 and name H1'  and segid 64TT ) 3.09 0.20 0.25

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 11 and name H1'  and segid CPGA ) 2.87 0.20 0.30

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name H1'  and segid CPGA ) 3.10 0.20 0.20

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name H1'  and segid CPGA ) 3.11 0.20 0.25

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name H1'  and segid CPGA ) 3.33 0.25 0.25

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA ) 3.33 0.25 0.20

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name H1'  and segid CPGA ) 3.42 0.25 0.20

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA ) 2.95 0.20 0.20

assign ( resid 20 and name H8   and segid CPGA )

       ( resid 19 and name H1'  and segid CPGA ) 3.45 0.30 0.25

assign ( resid  2 and name H8   and segid 64TT )

       ( resid  1 and name H6   and segid 64TT ) 4.79 0.50 0.30

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  2 and name H8   and segid 64TT ) 4.71 0.50 0.30

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name H6   and segid 64TT ) 4.96 0.50 0.20

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name H6   and segid 64TT ) 4.97 0.50 0.20

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name H8   and segid 64TT ) 4.59 0.50 0.20

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name H6   and segid 64TT ) 4.44 0.50 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid  9 and name H8   and segid 64TT ) 5.02 0.50 0.30

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name H8   and segid CPGA ) 4.73 0.50 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name H6   and segid CPGA ) 4.65 0.50 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name H8   and segid CPGA ) 4.86 0.50 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name H8   and segid CPGA ) 4.82 0.50 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name H6   and segid CPGA ) 4.94 0.50 0.20

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name H8   and segid CPGA ) 4.44 0.50 0.30

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name 1H2' and segid 64TT ) 2.56 0.35 0.25

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT ) 2.72 0.30 0.20

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT ) 2.66 0.30 0.20

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT ) 2.64 0.30 0.20

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name 1H2' and segid 64TT ) 2.50 0.30 0.20

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name 1H2' and segid 64TT ) 2.79 0.35 0.25

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA ) 2.46 0.30 0.25

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA ) 2.73 0.35 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name 1H2' and segid CPGA ) 2.73 0.30 0.20

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA ) 2.63 0.30 0.20

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA ) 2.74 0.35 0.20

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name 1H2' and segid CPGA ) 2.50 0.30 0.25

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name 2H2' and segid 64TT ) 2.83 0.30 0.30

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT ) 3.10 0.30 0.25

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT ) 2.77 0.30 0.25

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT ) 2.87 0.30 0.25

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT ) 3.00 0.30 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name 2H2' and segid 64TT ) 2.90 0.30 0.25

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name 2H2' and segid 64TT ) 2.92 0.25 0.25

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA ) 3.15 0.35 0.25

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA ) 2.90 0.25 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name 2H2' and segid CPGA ) 3.17 0.40 0.25

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA ) 2.85 0.30 0.25

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA ) 3.09 0.30 0.25

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name 2H2' and segid CPGA ) 2.86 0.30 0.25

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  2 and name 1H2' and segid 64TT ) 3.21 0.25 0.40

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT ) 3.35 0.20 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name 1H2' and segid 64TT ) 3.66 0.25 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT ) 3.22 0.25 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT ) 3.16 0.20 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid  9 and name 1H2' and segid 64TT ) 3.40 0.20 0.30

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 11 and name 1H2' and segid CPGA ) 2.99 0.30 0.35

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA ) 3.41 0.35 0.30

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name 1H2' and segid CPGA ) 3.65 0.35 0.40

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA ) 3.40 0.30 0.40

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name 1H2' and segid CPGA ) 3.45 0.25 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA ) 3.57 0.25 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA ) 3.70 0.30 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name 1H2' and segid CPGA ) 2.99 0.25 0.30

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT ) 3.12 0.40 0.20

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT ) 3.48 0.40 0.35

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT ) 2.91 0.40 0.20

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT ) 2.87 0.40 0.20

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 11 and name 2H2' and segid CPGA ) 2.94 0.40 0.20

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name 2H2' and segid CPGA ) 3.05 0.40 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA ) 2.88 0.40 0.20

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA ) 3.25 0.40 0.20

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA ) 3.11 0.40 0.20

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name 2H2' and segid CPGA ) 2.87 0.40 0.20

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT ) 3.08 0.25 0.30

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT ) 3.39 0.20 0.25

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  4 and name H3'  and segid 64TT ) 3.52 0.20 0.25

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT ) 3.27 0.20 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT ) 3.30 0.20 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name H3'  and segid 64TT ) 3.25 0.20 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name H3'  and segid 64TT ) 3.37 0.25 0.30

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA ) 3.13 0.20 0.35

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA ) 3.28 0.20 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA ) 3.26 0.20 0.25

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 3.44 0.30 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA ) 3.34 0.20 0.25

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name H3'  and segid CPGA ) 2.90 0.20 0.35

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT ) 4.09 0.30 0.40

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT ) 4.69 0.40 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT ) 5.05 0.40 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT ) 4.15 0.30 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT ) 4.12 0.30 0.40

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA ) 4.25 0.30 0.30

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name H3'  and segid CPGA ) 4.50 0.35 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA ) 3.96 0.25 0.35

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA ) 4.20 0.30 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 4.43 0.35 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA ) 4.13 0.25 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name H3'  and segid CPGA ) 4.19 0.30 0.30

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name H4'  and segid 64TT ) 3.78 0.30 0.30

assign ( resid  2 and name H8   and segid 64TT )

       ( resid  2 and name H4'  and segid 64TT ) 4.04 0.25 0.35

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name H4'  and segid 64TT ) 3.80 0.25 0.25

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  4 and name H4'  and segid 64TT ) 3.97 0.25 0.25

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name H4'  and segid 64TT ) 3.85 0.25 0.25

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name H4'  and segid 64TT ) 3.88 0.25 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name H4'  and segid 64TT ) 4.11 0.25 0.35

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name H4'  and segid 64TT ) 3.96 0.30 0.30

assign ( resid 11 and name H8   and segid CPGA )

       ( resid 11 and name H4'  and segid CPGA ) 4.42 0.25 0.35

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name H4'  and segid CPGA ) 3.93 0.25 0.25

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 13 and name H4'  and segid CPGA ) 4.34 0.25 0.35

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name H4'  and segid CPGA ) 3.56 0.25 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name H4'  and segid CPGA ) 3.90 0.25 0.35

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name H4'  and segid CPGA ) 4.21 0.30 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name H4'  and segid CPGA ) 3.79 0.25 0.25

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 18 and name H4'  and segid CPGA ) 4.36 0.45 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name H4'  and segid CPGA ) 3.73 0.25 0.25

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name 1H2' and segid 64TT ) 2.78 0.25 0.30

assign ( resid  2 and name H1'  and segid 64TT )

       ( resid  2 and name 1H2' and segid 64TT ) 2.70 0.30 0.40

assign ( resid  3 and name H1'  and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT ) 2.96 0.20 0.20

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name 1H2' and segid 64TT ) 2.93 0.20 0.20

assign ( resid  6 and name H1'  and segid 64TT )

       ( resid  6 and name 1H2' and segid 64TT ) 2.87 0.20 0.20

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT ) 2.79 0.20 0.20

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT ) 2.93 0.20 0.20

assign ( resid  9 and name H1'  and segid 64TT )

       ( resid  9 and name 1H2' and segid 64TT ) 2.73 0.30 0.40

assign ( resid 10 and name H1'  and segid 64TT )

       ( resid 10 and name 1H2' and segid 64TT ) 2.47 0.20 0.50

assign ( resid 11 and name H1'  and segid CPGA )

       ( resid 11 and name 1H2' and segid CPGA ) 2.67 0.30 0.40

assign ( resid 12 and name H1'  and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA ) 2.81 0.20 0.20

assign ( resid 13 and name H1'  and segid CPGA )

       ( resid 13 and name 1H2' and segid CPGA ) 2.73 0.30 0.40

assign ( resid 14 and name H1'  and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA ) 2.89 0.20 0.20

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name 1H2' and segid CPGA ) 2.99 0.20 0.20

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA ) 2.86 0.20 0.20

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA ) 2.99 0.20 0.20

assign ( resid 18 and name H1'  and segid CPGA )

       ( resid 18 and name 1H2' and segid CPGA ) 2.75 0.30 0.40

assign ( resid 19 and name H1'  and segid CPGA )

       ( resid 19 and name 1H2' and segid CPGA ) 2.82 0.20 0.20

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name 1H2' and segid CPGA ) 2.22 0.20 0.30

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name 2H2' and segid 64TT ) 2.33 0.30 0.40

assign ( resid  2 and name H1'  and segid 64TT )

       ( resid  2 and name 2H2' and segid 64TT ) 2.40 0.30 0.40

assign ( resid  3 and name H1'  and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT ) 2.37 0.30 0.40

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name 2H2' and segid 64TT ) 2.92 0.30 0.20

assign ( resid  6 and name H1'  and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT ) 2.83 0.30 0.20

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT ) 2.68 0.25 0.20

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT ) 2.56 0.20 0.20

assign ( resid  9 and name H1'  and segid 64TT )

       ( resid  9 and name 2H2' and segid 64TT ) 2.30 0.30 0.40

assign ( resid 10 and name H1'  and segid 64TT )

       ( resid 10 and name 2H2' and segid 64TT ) 2.35 0.30 0.40

assign ( resid 11 and name H1'  and segid CPGA )

       ( resid 11 and name 2H2' and segid CPGA ) 2.42 0.30 0.40

assign ( resid 12 and name H1'  and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA ) 2.45 0.20 0.20

assign ( resid 13 and name H1'  and segid CPGA )

       ( resid 13 and name 2H2' and segid CPGA ) 2.51 0.30 0.40

assign ( resid 14 and name H1'  and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA ) 2.55 0.20 0.20

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name 2H2' and segid CPGA ) 2.67 0.20 0.20

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA ) 2.72 0.20 0.20

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA ) 2.70 0.20 0.20

assign ( resid 18 and name H1'  and segid CPGA )

       ( resid 18 and name 2H2' and segid CPGA ) 2.35 0.30 0.40

assign ( resid 19 and name H1'  and segid CPGA )

       ( resid 19 and name 2H2' and segid CPGA ) 2.41 0.20 0.20

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name 2H2' and segid CPGA ) 2.63 0.20 0.20

assign ( resid  1 and name 1H2' and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT ) 2.58 0.25 0.25

assign ( resid  3 and name 1H2' and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT ) 2.60 0.20 0.20

assign ( resid  6 and name 1H2' and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT ) 2.58 0.20 0.20

assign ( resid 12 and name 1H2' and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA ) 2.50 0.20 0.20

assign ( resid 15 and name 1H2' and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA ) 2.48 0.20 0.20

assign ( resid 16 and name 1H2' and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 2.32 0.20 0.20

assign ( resid 17 and name 1H2' and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA ) 2.96 0.30 0.30

assign ( resid 20 and name 1H2' and segid CPGA )

       ( resid 20 and name H3'  and segid CPGA ) 2.59 0.25 0.25

assign ( resid  1 and name 2H2' and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT ) 2.63 0.25 0.25

assign ( resid  3 and name 2H2' and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT ) 2.75 0.20 0.20

assign ( resid  6 and name 2H2' and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT ) 3.12 0.30 0.20

assign ( resid  7 and name 2H2' and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT ) 2.71 0.20 0.20

assign ( resid  8 and name 2H2' and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT ) 2.39 0.20 0.30

assign ( resid 12 and name 2H2' and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA ) 2.77 0.20 0.20

assign ( resid 14 and name 2H2' and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA ) 2.88 0.30 0.30

assign ( resid 15 and name 2H2' and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA ) 2.85 0.20 0.20

assign ( resid 16 and name 2H2' and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 2.29 0.20 0.35

assign ( resid 17 and name 2H2' and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA ) 2.92 0.30 0.30

assign ( resid 19 and name 2H2' and segid CPGA )

       ( resid 19 and name H3'  and segid CPGA ) 2.40 0.20 0.35

assign ( resid 20 and name 2H2' and segid CPGA )

       ( resid 20 and name H3'  and segid CPGA ) 2.65 0.25 0.25

assign ( resid  1 and name H3'  and segid 64TT )

       ( resid  1 and name H4'  and segid 64TT ) 2.36 0.20 0.30

assign ( resid  3 and name H3'  and segid 64TT )

       ( resid  3 and name H4'  and segid 64TT ) 2.56 0.25 0.25

assign ( resid  4 and name H3'  and segid 64TT )

       ( resid  4 and name H4'  and segid 64TT ) 2.66 0.30 0.30

assign ( resid  5 and name H3'  and segid 64TT )

       ( resid  5 and name H4'  and segid 64TT ) 2.84 0.25 0.25

assign ( resid  7 and name H3'  and segid 64TT )

       ( resid  7 and name H4'  and segid 64TT ) 2.49 0.20 0.20

assign ( resid  8 and name H3'  and segid 64TT )

       ( resid  8 and name H4'  and segid 64TT ) 2.43 0.25 0.25

assign ( resid 10 and name H3'  and segid 64TT )

       ( resid 10 and name H4'  and segid 64TT ) 2.65 0.30 0.30

assign ( resid 11 and name H3'  and segid CPGA )

       ( resid 11 and name H4'  and segid CPGA ) 2.44 0.20 0.20

assign ( resid 12 and name H3'  and segid CPGA )

       ( resid 12 and name H4'  and segid CPGA ) 2.62 0.25 0.20

assign ( resid 15 and name H3'  and segid CPGA )

       ( resid 15 and name H4'  and segid CPGA ) 2.69 0.25 0.20

assign ( resid 17 and name H3'  and segid CPGA )

       ( resid 17 and name H4'  and segid CPGA ) 2.26 0.30 0.30

assign ( resid 20 and name H3'  and segid CPGA )

       ( resid 20 and name H4'  and segid CPGA ) 2.58 0.20 0.20

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT ) 3.42 0.30 0.50

assign ( resid  2 and name H1'  and segid 64TT )

       ( resid  2 and name H3'  and segid 64TT ) 3.12 0.30 0.50

assign ( resid  3 and name H1'  and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT ) 3.41 0.30 0.50

assign ( resid  4 and name H1'  and segid 64TT )

       ( resid  4 and name H3'  and segid 64TT ) 3.59 0.30 0.50

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT ) 3.74 0.30 0.50

assign ( resid  6 and name H1'  and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT ) 3.35 0.30 0.50

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT ) 3.64 0.30 0.50

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT ) 3.15 0.30 0.50

assign ( resid  9 and name H1'  and segid 64TT )

       ( resid  9 and name H3'  and segid 64TT ) 3.39 0.30 0.50

assign ( resid 10 and name H1'  and segid 64TT )

       ( resid 10 and name H3'  and segid 64TT ) 3.44 0.30 0.50

assign ( resid 11 and name H1'  and segid CPGA )

       ( resid 11 and name H3'  and segid CPGA ) 3.19 0.30 0.50

assign ( resid 12 and name H1'  and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA ) 3.33 0.30 0.50

assign ( resid 13 and name H1'  and segid CPGA )

       ( resid 13 and name H3'  and segid CPGA ) 3.22 0.30 0.50

assign ( resid 14 and name H1'  and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA ) 3.35 0.30 0.50

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA ) 3.06 0.30 0.50

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 3.27 0.30 0.50

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA ) 3.41 0.30 0.50

assign ( resid 18 and name H1'  and segid CPGA )

       ( resid 18 and name H3'  and segid CPGA ) 3.15 0.30 0.50

assign ( resid 19 and name H1'  and segid CPGA )

       ( resid 19 and name H3'  and segid CPGA ) 3.36 0.30 0.50

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name H3'  and segid CPGA ) 3.36 0.30 0.50

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name H4'  and segid 64TT ) 2.62 0.30 0.30

assign ( resid  2 and name H1'  and segid 64TT )

       ( resid  2 and name H4'  and segid 64TT ) 2.94 0.25 0.25

assign ( resid  4 and name H1'  and segid 64TT )

       ( resid  4 and name H4'  and segid 64TT ) 3.00 0.25 0.25

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name H4'  and segid 64TT ) 3.49 0.30 0.30

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name H4'  and segid 64TT ) 3.11 0.25 0.25

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name H4'  and segid 64TT ) 2.65 0.20 0.30

assign ( resid  9 and name H1'  and segid 64TT )

       ( resid  9 and name H4'  and segid 64TT ) 2.79 0.20 0.25

assign ( resid 10 and name H1'  and segid 64TT )

       ( resid 10 and name H4'  and segid 64TT ) 2.66 0.30 0.30

assign ( resid 11 and name H1'  and segid CPGA )

       ( resid 11 and name H4'  and segid CPGA ) 2.92 0.30 0.30

assign ( resid 13 and name H1'  and segid CPGA )

       ( resid 13 and name H4'  and segid CPGA ) 2.99 0.25 0.25

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name H4'  and segid CPGA ) 2.82 0.25 0.25

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name H4'  and segid CPGA ) 3.02 0.25 0.25

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name H4'  and segid CPGA ) 2.76 0.20 0.30

assign ( resid 18 and name H1'  and segid CPGA )

       ( resid 18 and name H4'  and segid CPGA ) 3.04 0.25 0.25

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name H4'  and segid CPGA ) 2.78 0.30 0.30

assign ( resid  4 and name H1'  and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT ) 4.49 0.30 0.30

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT ) 4.48 0.30 0.30

assign ( resid  6 and name H1'  and segid CPGA )

       ( resid  7 and name H3'  and segid CPGA ) 4.43 0.30 0.30

assign ( resid  1 and name 1H2' and segid 64TT )

       ( resid  1 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  2 and name 1H2' and segid 64TT )

       ( resid  2 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  3 and name 1H2' and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  4 and name 1H2' and segid 64TT )

       ( resid  4 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  5 and name 1H2' and segid 64TT )

       ( resid  5 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  6 and name 1H2' and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  7 and name 1H2' and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  8 and name 1H2' and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid  9 and name 1H2' and segid 64TT )

       ( resid  9 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid 10 and name 1H2' and segid 64TT )

       ( resid 10 and name 2H2' and segid 64TT ) 1.76 0.10 0.10

assign ( resid 11 and name 1H2' and segid CPGA )

       ( resid 11 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 12 and name 1H2' and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 13 and name 1H2' and segid CPGA )

       ( resid 13 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 14 and name 1H2' and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 15 and name 1H2' and segid CPGA )

       ( resid 15 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 16 and name 1H2' and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 17 and name 1H2' and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 18 and name 1H2' and segid CPGA )

       ( resid 18 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 19 and name 1H2' and segid CPGA )

       ( resid 19 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid 20 and name 1H2' and segid CPGA )

       ( resid 20 and name 2H2' and segid CPGA ) 1.76 0.10 0.10

assign ( resid  1 and name H5   and segid 64TT )

       ( resid  1 and name H6   and segid 64TT ) 2.46 0.10 0.10

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  3 and name H6   and segid 64TT ) 2.46 0.10 0.10

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  8 and name H6   and segid 64TT ) 2.46 0.10 0.10

assign ( resid 10 and name H5   and segid 64TT )

       ( resid 10 and name H6   and segid 64TT ) 2.46 0.10 0.10

assign ( resid  2 and name H5   and segid CPGA )

       ( resid  2 and name H6   and segid CPGA ) 2.46 0.10 0.10

assign ( resid  9 and name H5   and segid CPGA )

       ( resid  9 and name H6   and segid CPGA ) 2.46 0.10 0.10

assign ( resid  1 and name H5   and segid 64TT )

       ( resid  1 and name 1H2' and segid 64TT ) 3.54 0.30 0.30

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT ) 3.70 0.30 0.30

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT ) 4.94 0.40 0.40

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT ) 3.65 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT ) 4.67 0.40 0.50

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA ) 3.53 0.30 0.30

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA ) 4.45 0.50 0.30

assign ( resid 19 and name H5   and segid CPGA )

       ( resid 19 and name 1H2' and segid CPGA ) 3.34 0.30 0.30

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  2 and name H8   and segid 64TT ) 3.43 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name H8   and segid 64TT ) 3.34 0.30 0.30

assign ( resid 10 and name H5   and segid 64TT )

       ( resid  9 and name H8   and segid 64TT ) 3.88 0.30 0.30

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name H8   and segid CPGA ) 3.56 0.30 0.30

assign ( resid 19 and name H5   and segid CPGA )

       ( resid 18 and name H8   and segid CPGA ) 3.44 0.30 0.30

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  2 and name H1'  and segid 64TT ) 3.30 0.30 0.35

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name H1'  and segid CPGA ) 3.38 0.30 0.30

assign ( resid 19 and name H5   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA ) 3.21 0.30 0.40

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT ) 3.32 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT ) 3.45 0.30 0.40

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name 1H2' and segid CPGA ) 3.15 0.30 0.30

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name 2H2' and segid CPGA ) 3.45 0.35 0.40

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  5 and name H6   and segid 64TT ) 2.67 0.30 0.50

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  4 and name H8   and segid 64TT ) 3.08 0.30 0.60

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  5 and name H6   and segid 64TT ) 2.32 0.20 0.70

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name H8   and segid CPGA ) 2.88 0.20 0.60

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name H8   and segid CPGA ) 2.95 0.30 0.60

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  5 and name H1'  and segid 64TT ) 5.33 0.50 0.50

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 17 and name H1'  and segid CPGA ) 5.58 0.50 0.50

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  6 and name 1H2' and segid 64TT ) 3.28 0.50 0.70

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT ) 3.99 0.50 0.70

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA ) 3.48 0.50 0.70

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA ) 3.28 0.50 0.70

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA ) 3.52 0.50 0.70

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT ) 4.41 0.50 0.70

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT ) 4.96 0.50 0.50

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA ) 4.45 0.50 0.50

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA ) 4.57 0.50 0.50

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  5 and name 1H2' and segid 64TT ) 4.27 0.50 0.50

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name 1H2' and segid CPGA ) 3.34 0.50 0.50

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA ) 3.45 0.50 0.50

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  5 and name 2H2' and segid 64TT ) 3.45 0.50 0.50

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name 2H2' and segid CPGA ) 2.92 0.50 0.50

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA ) 3.08 0.50 0.50

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  4 and name H3'  and segid 64TT ) 3.29 0.50 0.50

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name H3'  and segid CPGA ) 3.74 0.50 0.50

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 3.81 0.50 0.50

assign ( resid  4 and name H2   and segid 64TT )

       ( resid  4 and name H1'  and segid 64TT ) 4.34 0.30 0.30

assign ( resid  7 and name H2   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT ) 4.35 0.30 0.30

assign ( resid 16 and name H2   and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA ) 4.86 0.40 0.30

assign ( resid  7 and name H2   and segid 64TT )

       ( resid 14 and name H1'  and segid CPGA ) 4.27 0.30 0.30

assign ( resid 16 and name H2   and segid CPGA )

       ( resid  5 and name H1'  and segid 64TT ) 4.30 0.30 0.30

assign ( resid  4 and name H2   and segid 64TT )

       ( resid  5 and name H1'  and segid 64TT ) 3.75 0.30 0.30

assign ( resid  7 and name H2   and segid 64TT )

       ( resid  8 and name H1'  and segid 64TT ) 3.67 0.30 0.30

assign ( resid  4 and name H2   and segid 64TT )

       ( resid 16 and name H2   and segid CPGA ) 4.34 0.40 0.40



! ance restraints from NOESY in H2O solution



assign ( resid  2 and name H1   and segid 64TT )

       ( resid 18 and name H1   and segid CPGA ) 2.95 0.30 0.30

assign ( resid 18 and name H1   and segid CPGA )

       ( resid 17 and name H3   and segid CPGA ) 3.19 0.30 0.30

assign ( resid 14 and name H3   and segid CPGA )

       ( resid 13 and name H1   and segid CPGA ) 2.92 0.30 0.30

assign ( resid 13 and name H1   and segid CPGA )

       ( resid  9 and name H1   and segid 64TT ) 2.81 0.20 0.30

assign ( resid 13 and name H1   and segid CPGA )

       ( resid  8 and name 1HN4 and segid 64TT ) 2.50 0.20 0.30

assign ( resid 18 and name H1   and segid CPGA )

       ( resid  3 and name 1HN4 and segid 64TT ) 2.55 0.20 0.30

assign ( resid  4 and name H2   and segid 64TT )

       ( resid 17 and name H3   and segid CPGA ) 2.79 0.20 0.50

assign ( resid  7 and name H2   and segid 64TT )

       ( resid 14 and name H3   and segid CPGA ) 2.51 0.20 0.50

assign ( resid  4 and name H2   and segid 64TT )

       ( resid 18 and name H1   and segid CPGA ) 3.55 0.30 0.50

assign ( resid  7 and name H2   and segid 64TT )

       ( resid 13 and name H1   and segid CPGA ) 3.32 0.30 0.50



! Watson-Crick base pairing constraints 



!        {  C1                           G20 }

assign  (resid 1  and name N3  and segid 64TT) 

        (resid 20 and name N1  and segid CPGA) 3.00 0.3 0.3

assign  (resid 1  and name N4  and segid 64TT) 

        (resid 20 and name O6  and segid CPGA) 2.80 0.3 0.3

assign  (resid 1  and name O2  and segid 64TT)

        (resid 20 and name N2  and segid CPGA) 3.00 0.3 0.3

assign  (resid 1  and name 1HN4 and segid 64TT) 

        (resid 20 and name O6  and segid CPGA) 1.80 0.25 0.2

assign  (resid 1  and name N3  and segid 64TT) 

        (resid 20 and name H1  and segid CPGA) 2.00 0.25 0.2

assign  (resid 1  and name O2  and segid 64TT) 

        (resid 20 and name 1HN2 and segid CPGA) 2.00 0.25 0.2

assign  (resid 1  and name O2  and segid 64TT)

        (resid 20 and name N1  and segid CPGA) 3.60 0.3 0.3

assign  (resid 1  and name N3  and segid 64TT)

        (resid 20 and name O6  and segid CPGA) 3.70 0.3 0.3

assign  (resid 1  and name N3  and segid 64TT)

        (resid 20 and name N2  and segid CPGA) 4.00 0.3 0.3

assign  (resid 1  and name N4  and segid 64TT)

        (resid 20 and name N1  and segid CPGA) 3.80 0.3 0.3



!       {  G2                           C19 }

assign  (resid 2  and name N1  and segid 64TT)

        (resid 19 and name N3  and segid CPGA) 3.00 0.3 0.3

assign  (resid 2  and name O6  and segid 64TT)

        (resid 19 and name N4  and segid CPGA) 2.80 0.3 0.3

assign  (resid 2  and name N2  and segid 64TT) 

        (resid 19 and name O2  and segid CPGA) 3.00 0.3 0.3

assign  (resid 2  and name O6  and segid 64TT) 

        (resid 19 and name 1HN4 and segid CPGA) 1.80 0.25 0.2

assign  (resid 2  and name H1  and segid 64TT) 

        (resid 19 and name N3  and segid CPGA) 2.00 0.25 0.2

assign  (resid 2  and name 1HN2 and segid 64TT) 

        (resid 19 and name O2  and segid CPGA) 2.00 0.25 0.2

assign  (resid 2  and name N1  and segid 64TT)

        (resid 19 and name O2  and segid CPGA) 3.60 0.3 0.3

assign  (resid 2  and name O6  and segid 64TT)

        (resid 19 and name N3  and segid CPGA) 3.70 0.3 0.3

assign  (resid 2  and name N2  and segid 64TT)

        (resid 19 and name N3  and segid CPGA) 4.00 0.3 0.3

assign  (resid 2  and name N1  and segid 64TT)

        (resid 19 and name N4  and segid CPGA) 3.80 0.3 0.3



!        {  C3                           G18 }

assign  (resid 3  and name N3  and segid 64TT) 

        (resid 18 and name N1  and segid CPGA) 3.00 0.3 0.3

assign  (resid 3  and name N4  and segid 64TT) 

        (resid 18 and name O6  and segid CPGA) 2.80 0.3 0.3

assign  (resid 3  and name O2  and segid 64TT) 

        (resid 18 and name N2  and segid CPGA) 3.00 0.3 0.3

assign  (resid 3  and name 1HN4 and segid 64TT) 

        (resid 18 and name O6  and segid CPGA) 1.80 0.25 0.2

assign  (resid 3  and name N3  and segid 64TT) 

        (resid 18 and name H1  and segid CPGA) 2.00 0.25 0.2

assign  (resid 3  and name O2  and segid 64TT) 

        (resid 18 and name 1HN2 and segid CPGA) 2.00 0.25 0.2

assign  (resid 3  and name O2  and segid 64TT)

        (resid 18 and name N1  and segid CPGA) 3.60 0.3 0.3

assign  (resid 3  and name N3  and segid 64TT)

        (resid 18 and name O6  and segid CPGA) 3.70 0.3 0.3

assign  (resid 3  and name N3  and segid 64TT)

        (resid 18 and name N2  and segid CPGA) 4.00 0.3 0.3

assign  (resid 3  and name N4  and segid 64TT)

        (resid 18 and name N1  and segid CPGA) 3.80 0.3 0.3



!      { A4                            T17 }

assign  (resid 4  and name N1  and segid 64TT) 

        (resid 17 and name N3  and segid CPGA) 3.00 0.3 0.3

assign  (resid 4  and name N6  and segid 64TT) 

        (resid 17 and name O4  and segid CPGA) 2.80 0.3 0.3

assign  (resid 4  and name 1HN6 and segid 64TT) 

        (resid 17 and name O4  and segid CPGA) 1.90 0.25 0.3

assign  (resid 4  and name N1  and segid 64TT) 

        (resid 17 and name H3  and segid CPGA) 2.00 0.25 0.3

assign  (resid 4  and name N6  and segid 64TT)

        (resid 17 and name N3  and segid CPGA) 3.80 0.3 0.3

assign  (resid 4  and name N1  and segid 64TT)

        (resid 17 and name O4  and segid CPGA) 3.70 0.3 0.3

assign  (resid 4  and name N1  and segid 64TT)

        (resid 17 and name O2  and segid CPGA) 3.80 0.4 0.4



!      { T5                            A16 }

assign  (resid 16 and name N1  and segid CPGA)

        (resid 5  and name N3  and segid 64TT) 3.00 0.4 0.4

assign  (resid 16 and name N6  and segid CPGA)

        (resid 5  and name O4  and segid 64TT) 2.80 0.4 0.4

assign  (resid 16 and name 1HN6 and segid CPGA)

        (resid 5  and name O4  and segid 64TT) 1.90 0.4 0.4

assign  (resid 16 and name N1  and segid CPGA)

        (resid 5  and name H3  and segid 64TT) 2.00 0.4 0.4

assign  (resid 16 and name N6  and segid CPGA)

        (resid 5  and name N3  and segid 64TT) 3.80 0.4 0.4

assign  (resid 16 and name N1  and segid CPGA)

        (resid 5  and name O4  and segid 64TT) 3.70 0.4 0.4

assign  (resid 16 and name N1  and segid CPGA)

        (resid 5  and name O2  and segid 64TT) 3.80 0.4 0.4



!      { A7                            T14 }

assign  (resid 7  and name N1  and segid 64TT) 

        (resid 14 and name N3  and segid CPGA) 3.00 0.3 0.3

assign  (resid 7  and name N6  and segid 64TT) 

        (resid 14 and name O4  and segid CPGA) 2.80 0.3 0.3

assign  (resid 7  and name 1HN6 and segid 64TT) 

        (resid 14 and name O4  and segid CPGA) 1.90 0.25 0.3

assign  (resid 7  and name N1  and segid 64TT) 

        (resid 14 and name H3  and segid CPGA) 2.00 0.25 0.3

assign  (resid 7  and name N6  and segid 64TT)

        (resid 14 and name N3  and segid CPGA) 3.80 0.3 0.3

assign  (resid 7  and name N1  and segid 64TT)

        (resid 14 and name O4  and segid CPGA) 3.70 0.3 0.3

assign  (resid 7  and name N1  and segid 64TT)

        (resid 14 and name O2  and segid CPGA) 3.80 0.4 0.4



!       { C8                           G13 }

assign  (resid 8  and name N3  and segid 64TT) 

        (resid 13 and name N1  and segid CPGA) 3.00 0.3 0.3

assign  (resid 8  and name N4  and segid 64TT) 

        (resid 13 and name O6  and segid CPGA) 2.80 0.3 0.3

assign  (resid 8  and name O2  and segid 64TT) 

        (resid 13 and name N2  and segid CPGA) 3.00 0.3 0.3

assign  (resid 8  and name 1HN4 and segid 64TT) 

        (resid 13 and name O6  and segid CPGA) 1.80 0.25 0.2

assign  (resid 8  and name N3  and segid 64TT) 

        (resid 13 and name H1  and segid CPGA) 2.00 0.25 0.2

assign  (resid 8  and name O2  and segid 64TT) 

        (resid 13 and name 1HN2 and segid CPGA) 2.00 0.25 0.2

assign  (resid 8  and name O2  and segid 64TT)

        (resid 13 and name N1  and segid CPGA) 3.60 0.3 0.3

assign  (resid 8  and name N3  and segid 64TT)

        (resid 13 and name O6  and segid CPGA) 3.70 0.3 0.3

assign  (resid 8  and name N3  and segid 64TT)

        (resid 13 and name N2  and segid CPGA) 4.00 0.3 0.3

assign  (resid 8  and name N4  and segid 64TT)

        (resid 13 and name N1  and segid CPGA) 3.80 0.3 0.3



!       { G9                           C12 }

assign  (resid 9  and name N1  and segid 64TT) 

        (resid 12 and name N3  and segid CPGA) 3.00 0.3 0.3

assign  (resid 9  and name O6  and segid 64TT) 

        (resid 12 and name N4  and segid CPGA) 2.80 0.3 0.3

assign  (resid 9  and name N2  and segid 64TT) 

        (resid 12 and name O2  and segid CPGA) 3.00 0.3 0.3

assign  (resid 9  and name O6  and segid 64TT) 

        (resid 12 and name 1HN4 and segid CPGA) 1.80 0.25 0.2

assign  (resid 9  and name H1  and segid 64TT) 

        (resid 12 and name N3  and segid CPGA) 2.00 0.25 0.2

assign  (resid 9  and name 1HN2 and segid 64TT) 

        (resid 12 and name O2  and segid CPGA) 2.00 0.25 0.2

assign  (resid 9  and name N1  and segid 64TT)

        (resid 12 and name O2  and segid CPGA) 3.60 0.3 0.3

assign  (resid 9  and name O6  and segid 64TT)

        (resid 12 and name N3  and segid CPGA) 3.70 0.3 0.3

assign  (resid 9  and name N2  and segid 64TT)

        (resid 12 and name N3  and segid CPGA) 4.00 0.3 0.3

assign  (resid 9  and name N1  and segid 64TT)

        (resid 12 and name N4  and segid CPGA) 3.80 0.3 0.3



!       { C10                          G11 }

assign  (resid 10 and name N3  and segid 64TT) 

        (resid 11 and name N1  and segid CPGA) 3.00 0.3 0.3

assign  (resid 10 and name N4  and segid 64TT) 

        (resid 11 and name O6  and segid CPGA) 2.80 0.3 0.3

assign  (resid 10 and name O2  and segid 64TT) 

        (resid 11 and name N2  and segid CPGA) 3.00 0.3 0.3

assign  (resid 10 and name 1HN4 and segid 64TT) 

        (resid 11 and name O6  and segid CPGA) 1.80 0.25 0.2

assign  (resid 10 and name N3  and segid 64TT) 

        (resid 11 and name H1  and segid CPGA) 2.00 0.25 0.2

assign  (resid 10 and name O2  and segid 64TT) 

        (resid 11 and name 1HN2 and segid CPGA) 2.00 0.25 0.2

assign  (resid 10 and name O2  and segid 64TT)

        (resid 11 and name N1  and segid CPGA) 3.60 0.3 0.3

assign  (resid 10 and name N3  and segid 64TT)

        (resid 11 and name O6  and segid CPGA) 3.70 0.3 0.3

assign  (resid 10 and name N3  and segid 64TT)

        (resid 11 and name N2  and segid CPGA) 4.00 0.3 0.3

assign  (resid 10 and name N4  and segid 64TT)

        (resid 11 and name N1  and segid CPGA) 3.80 0.3 0.3



! intensity restraints from NOESY in D2O solution

! 50, 80, 160 ms mixing times



assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name H1'  and segid 64TT )  49.20 0.40 0.40  70.90 0.40 0.40 107.00 0.40 0.40

assign ( resid  2 and name H8   and segid 64TT )

       ( resid  2 and name H1'  and segid 64TT )  24.40 0.30 0.30  44.80 0.30 0.30  83.70 0.30 0.30

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name H1'  and segid 64TT )  14.90 0.30 0.30  27.40 0.30 0.30  46.40 0.30 0.30

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  4 and name H1'  and segid 64TT )  21.20 0.30 0.30  32.00 0.30 0.30  43.90 0.30 0.30

assign ( resid  5 and name H6   and segid 64TT )

       ( resid  5 and name H1'  and segid 64TT )   3.80 0.25 0.25   6.00 0.25 0.25  16.50 0.25 0.25

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  6 and name H1'  and segid 64TT )  25.10 0.30 0.40  37.30 0.30 0.40  59.40 0.30 0.40

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT )  22.00 0.30 0.30  37.30 0.30 0.30  63.10 0.30 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name H1'  and segid 64TT )  11.70 0.30 0.30  20.00 0.30 0.30  39.20 0.30 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name H1'  and segid 64TT )  22.70 0.30 0.30  40.80 0.30 0.30  66.40 0.30 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name H1'  and segid 64TT )  12.80 0.40 0.40  20.70 0.40 0.40  36.90 0.40 0.40

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name H1'  and segid CPGA )  23.60 0.40 0.40  35.00 0.40 0.40  55.10 0.40 0.40

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name H1'  and segid CPGA )  21.30 0.30 0.30  34.80 0.30 0.30  50.70 0.30 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name H1'  and segid CPGA )  13.70 0.30 0.30  26.60 0.30 0.30  43.70 0.30 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA )  26.20 0.20 0.30  38.30 0.20 0.30  53.90 0.20 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name H1'  and segid CPGA )  39.10 0.20 0.30  49.20 0.20 0.30  59.90 0.20 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA )  22.20 0.30 0.40  37.60 0.30 0.40  69.80 0.30 0.40

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name H1'  and segid CPGA )  19.80 0.40 0.40  33.90 0.40 0.40  54.80 0.40 0.40

assign ( resid 20 and name H8   and segid CPGA )

       ( resid 20 and name H1'  and segid CPGA )  31.30 0.30 0.40  53.90 0.30 0.40 103.00 0.30 0.40

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name 1H2' and segid 64TT ) 107.30 0.30 0.40 132.00 0.30 0.40 130.50 0.30 0.40

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT )  69.20 0.25 0.30  72.70 0.25 0.30  54.20 0.25 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT )  86.20 0.25 0.30  97.40 0.25 0.30  85.90 0.25 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT )  94.40 0.25 0.30  96.20 0.25 0.30  74.90 0.25 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name 1H2' and segid 64TT ) 112.00 0.25 0.30 119.00 0.25 0.30  99.20 0.25 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name 1H2' and segid 64TT )  43.00 0.30 0.40  55.20 0.30 0.40  53.40 0.30 0.40

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA ) 135.50 0.25 0.30 139.50 0.25 0.30 106.50 0.25 0.30

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA )  74.30 0.25 0.30  71.80 0.25 0.30  49.20 0.25 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name 1H2' and segid CPGA )  62.20 0.25 0.30  73.10 0.25 0.30  64.20 0.25 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA )  77.20 0.25 0.30  89.60 0.25 0.30  84.50 0.25 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA )  68.30 0.25 0.30  70.60 0.25 0.30  54.30 0.25 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name 1H2' and segid CPGA ) 106.50 0.20 0.30 113.00 0.20 0.30  89.90 0.20 0.30

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name 2H2' and segid 64TT )  46.20 0.30 0.30  78.20 0.30 0.30 117.00 0.30 0.30

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT )  30.40 0.30 0.30  47.20 0.30 0.30  52.00 0.30 0.30

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT )  89.30 0.30 0.35  86.00 0.30 0.35  62.20 0.30 0.35

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT )  52.00 0.25 0.30  70.90 0.25 0.30  79.30 0.25 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT )  37.00 0.25 0.30  54.00 0.25 0.30  56.30 0.25 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name 2H2' and segid 64TT )  48.50 0.30 0.30  65.50 0.30 0.30  67.50 0.30 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name 2H2' and segid 64TT )  28.30 0.30 0.30  35.30 0.30 0.30  30.90 0.30 0.30

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA )  38.70 0.30 0.35  58.40 0.30 0.35  61.50 0.30 0.35

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA )  36.90 0.25 0.30  48.10 0.25 0.30  46.10 0.25 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name 2H2' and segid CPGA )  26.80 0.25 0.30  42.10 0.25 0.30  52.00 0.25 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA )  47.20 0.25 0.30  64.80 0.25 0.30  69.70 0.25 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA )  33.20 0.25 0.30  48.10 0.25 0.30  51.50 0.25 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name 2H2' and segid CPGA )  45.50 0.30 0.30  68.30 0.30 0.30  83.60 0.30 0.30

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT )  34.60 0.30 0.40  52.60 0.30 0.40  85.30 0.30 0.40

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT )  18.10 0.30 0.30  29.00 0.30 0.30  37.60 0.30 0.30

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  4 and name H3'  and segid 64TT )  18.80 0.30 0.30  27.50 0.30 0.30  37.30 0.30 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT )  23.20 0.25 0.35  40.10 0.25 0.35  58.30 0.25 0.35

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT )  20.60 0.20 0.25  31.30 0.20 0.25  42.00 0.20 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name H3'  and segid 64TT )  26.20 0.20 0.25  41.60 0.20 0.25  62.50 0.20 0.25

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name H3'  and segid 64TT )  26.70 0.25 0.35  30.70 0.25 0.35  32.50 0.25 0.35

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA )  34.60 0.25 0.25  50.30 0.25 0.25  70.30 0.25 0.25

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA )  21.80 0.20 0.25  34.50 0.20 0.25  43.80 0.20 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA )  20.70 0.25 0.35  31.00 0.25 0.35  46.80 0.25 0.35

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA )  15.70 0.25 0.25  23.20 0.25 0.25  37.70 0.25 0.25

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA )  23.40 0.25 0.25  31.60 0.25 0.25  48.20 0.25 0.25

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name H3'  and segid CPGA )  41.50 0.35 0.35  64.00 0.35 0.35  94.40 0.35 0.35

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  1 and name H4'  and segid 64TT )   9.00 0.25 0.25  18.90 0.25 0.25  29.20 0.25 0.25

assign ( resid  2 and name H8   and segid 64TT )

       ( resid  2 and name H4'  and segid 64TT )   5.80 0.35 0.35  12.00 0.35 0.35  38.60 0.35 0.35

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  3 and name H4'  and segid 64TT )   8.50 0.35 0.35  16.00 0.35 0.35  29.20 0.35 0.35

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  4 and name H4'  and segid 64TT )   5.40 0.25 0.25  11.10 0.25 0.25  23.70 0.25 0.25

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  6 and name H4'  and segid 64TT )  12.40 0.35 0.35  17.90 0.35 0.35  25.60 0.35 0.35

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  7 and name H4'  and segid 64TT )   7.60 0.25 0.25  15.20 0.25 0.25  29.00 0.25 0.25

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  8 and name H4'  and segid 64TT )  11.70 0.25 0.25  21.80 0.25 0.25  45.10 0.25 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  9 and name H4'  and segid 64TT )   3.70 0.30 0.30   9.20 0.30 0.30  21.30 0.30 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid 10 and name H4'  and segid 64TT )   6.80 0.35 0.35  13.70 0.35 0.35  26.90 0.35 0.35

assign ( resid 11 and name H8   and segid CPGA )

       ( resid 11 and name H4'  and segid CPGA )   1.00 0.25 0.25  10.90 0.25 0.25  31.00 0.25 0.25

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 12 and name H4'  and segid CPGA )  10.60 0.35 0.35  14.90 0.35 0.35  36.40 0.35 0.35

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 13 and name H4'  and segid CPGA )   6.20 0.35 0.35  12.00 0.35 0.35  33.30 0.35 0.35

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 14 and name H4'  and segid CPGA )  10.20 0.30 0.30  12.60 0.30 0.30  25.50 0.30 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 15 and name H4'  and segid CPGA )   3.90 0.30 0.30  11.50 0.30 0.30  25.60 0.30 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 16 and name H4'  and segid CPGA )   5.00 0.25 0.25   9.60 0.25 0.25  19.50 0.25 0.25

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 17 and name H4'  and segid CPGA )   9.50 0.30 0.30  16.20 0.30 0.30  30.10 0.30 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA )   4.10 0.35 0.35   8.80 0.35 0.35  22.70 0.35 0.35

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 19 and name H4'  and segid CPGA )  10.90 0.35 0.35  20.50 0.35 0.35  43.60 0.35 0.35

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name 1H2' and segid 64TT )  54.70 0.25 0.25  86.50 0.25 0.25 124.00 0.25 0.25

assign ( resid  3 and name H1'  and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT )  43.80 0.25 0.25  61.60 0.25 0.25  73.80 0.25 0.25

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name 1H2' and segid 64TT )  44.20 0.25 0.25  59.30 0.25 0.25  62.50 0.25 0.25

assign ( resid  6 and name H1'  and segid 64TT )

       ( resid  6 and name 1H2' and segid 64TT )  43.90 0.25 0.25  51.70 0.25 0.25  52.90 0.25 0.25

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT )  52.30 0.25 0.25  62.90 0.25 0.25  65.20 0.25 0.25

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT )  35.70 0.25 0.25  50.90 0.25 0.25  65.00 0.25 0.25

assign ( resid 12 and name H1'  and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA )  49.90 0.25 0.25  71.40 0.25 0.25  90.00 0.25 0.25

assign ( resid 14 and name H1'  and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA )  49.60 0.25 0.25  71.50 0.25 0.25  86.10 0.25 0.25

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name 1H2' and segid CPGA )  38.00 0.25 0.25  52.50 0.25 0.25  68.00 0.25 0.25

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA )  53.70 0.25 0.25  73.50 0.25 0.25  93.00 0.25 0.25

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA )  31.90 0.25 0.25  46.20 0.25 0.25  57.90 0.25 0.25

assign ( resid 19 and name H1'  and segid CPGA )

       ( resid 19 and name 1H2' and segid CPGA )  47.50 0.25 0.25  70.60 0.25 0.25  93.80 0.25 0.25

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name 2H2' and segid 64TT )  57.70 0.25 0.25  67.40 0.25 0.25  59.90 0.25 0.25

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT )  80.30 0.25 0.25  85.60 0.25 0.25  83.80 0.25 0.25

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT )  94.20 0.25 0.25 107.00 0.25 0.25  97.40 0.25 0.25

assign ( resid 12 and name H1'  and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA ) 120.00 0.35 0.35 139.00 0.35 0.35 140.00 0.35 0.35

assign ( resid 14 and name H1'  and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA )  98.10 0.25 0.25 111.00 0.25 0.25 115.50 0.25 0.25

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name 2H2' and segid CPGA )  76.10 0.25 0.25  91.60 0.25 0.25  95.70 0.25 0.25

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA )  61.60 0.25 0.25  72.70 0.25 0.25  72.70 0.25 0.25

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA )  78.70 0.25 0.25  87.50 0.25 0.25  80.50 0.25 0.25

assign ( resid 19 and name H1'  and segid CPGA )

       ( resid 19 and name 2H2' and segid CPGA ) 151.00 0.25 0.25 176.00 0.25 0.25 178.00 0.25 0.25

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name 2H2' and segid CPGA )  83.80 0.35 0.25 133.10 0.35 0.25 193.00 0.35 0.25

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT )  29.90 0.25 0.25  42.20 0.25 0.25  73.30 0.25 0.25

assign ( resid  2 and name H1'  and segid 64TT )

       ( resid  2 and name H3'  and segid 64TT )  64.90 0.40 0.40  76.30 0.40 0.40 102.00 0.40 0.40

assign ( resid  3 and name H1'  and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT )  32.00 0.25 0.25  43.10 0.25 0.25  63.10 0.25 0.25

assign ( resid  4 and name H1'  and segid 64TT )

       ( resid  4 and name H3'  and segid 64TT )  19.10 0.25 0.25  28.80 0.25 0.25  42.10 0.25 0.25

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT )  14.00 0.25 0.25  15.70 0.25 0.25  15.80 0.25 0.25

assign ( resid  6 and name H1'  and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT )  35.20 0.25 0.25  27.10 0.25 0.25  43.40 0.25 0.25

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT )  17.80 0.35 0.35  27.90 0.35 0.35  54.30 0.35 0.35

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT )  47.90 0.25 0.25  56.00 0.25 0.25  71.80 0.25 0.25

assign ( resid  9 and name H1'  and segid 64TT )

       ( resid  9 and name H3'  and segid 64TT )  43.10 0.25 0.25  49.40 0.25 0.25  61.60 0.25 0.25

assign ( resid 10 and name H1'  and segid 64TT )

       ( resid 10 and name H3'  and segid 64TT )  24.80 0.25 0.25  41.30 0.25 0.25  74.90 0.25 0.25

assign ( resid 11 and name H1'  and segid CPGA )

       ( resid 11 and name H3'  and segid CPGA )  42.20 0.25 0.25  61.30 0.25 0.25  96.60 0.25 0.25

assign ( resid 12 and name H1'  and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA )  47.20 0.25 0.25  57.00 0.25 0.25  78.30 0.25 0.25

assign ( resid 13 and name H1'  and segid CPGA )

       ( resid 13 and name H3'  and segid CPGA )  39.60 0.25 0.25  42.20 0.25 0.25  50.70 0.25 0.25

assign ( resid 14 and name H1'  and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA )  38.30 0.25 0.25  50.20 0.25 0.25  84.50 0.25 0.25

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA )  74.30 0.25 0.25  75.70 0.25 0.25  82.70 0.25 0.25

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA )  33.90 0.25 0.25  35.70 0.25 0.25  48.30 0.25 0.25

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA )  23.20 0.25 0.25  37.40 0.25 0.25  54.80 0.25 0.25

assign ( resid 18 and name H1'  and segid CPGA )

       ( resid 18 and name H3'  and segid CPGA )  59.00 0.40 0.40  72.40 0.40 0.40 103.00 0.40 0.40

assign ( resid 19 and name H1'  and segid CPGA )

       ( resid 19 and name H3'  and segid CPGA )  40.00 0.25 0.25  53.20 0.25 0.25  84.10 0.25 0.25

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name H3'  and segid CPGA )  31.00 0.30 0.30  49.30 0.30 0.30 106.50 0.30 0.30

assign ( resid  1 and name H1'  and segid 64TT )

       ( resid  1 and name H4'  and segid 64TT )  76.90 0.35 0.35 101.40 0.35 0.35 139.50 0.35 0.35

assign ( resid  2 and name H1'  and segid 64TT )

       ( resid  2 and name H4'  and segid 64TT )  49.80 0.35 0.35  67.00 0.35 0.35  84.00 0.35 0.35

assign ( resid  4 and name H1'  and segid 64TT )

       ( resid  4 and name H4'  and segid 64TT )  26.10 0.35 0.35  31.40 0.35 0.35  40.50 0.35 0.35

assign ( resid  5 and name H1'  and segid 64TT )

       ( resid  5 and name H4'  and segid 64TT )  13.30 0.35 0.35  20.50 0.35 0.35  36.60 0.35 0.35

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  7 and name H4'  and segid 64TT )  29.90 0.25 0.25  34.50 0.25 0.25  49.50 0.25 0.25

assign ( resid  8 and name H1'  and segid 64TT )

       ( resid  8 and name H4'  and segid 64TT )  93.60 0.35 0.35 111.80 0.35 0.35 130.00 0.35 0.35

assign ( resid  9 and name H1'  and segid 64TT )

       ( resid  9 and name H4'  and segid 64TT )  50.70 0.35 0.35  61.60 0.35 0.35  80.00 0.35 0.35

assign ( resid 10 and name H1'  and segid 64TT )

       ( resid 10 and name H4'  and segid 64TT )  71.60 0.35 0.35  90.60 0.35 0.35 110.00 0.35 0.35

assign ( resid 11 and name H1'  and segid CPGA )

       ( resid 11 and name H4'  and segid CPGA )  21.80 0.35 0.35  30.80 0.35 0.35  40.10 0.35 0.35

assign ( resid 13 and name H1'  and segid CPGA )

       ( resid 13 and name H4'  and segid CPGA )  38.40 0.35 0.35  49.20 0.35 0.35  63.80 0.35 0.35

assign ( resid 15 and name H1'  and segid CPGA )

       ( resid 15 and name H4'  and segid CPGA )  59.70 0.35 0.35  71.20 0.35 0.35  92.70 0.35 0.35

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 16 and name H4'  and segid CPGA )  37.20 0.25 0.25  42.70 0.25 0.25  59.00 0.25 0.25

assign ( resid 17 and name H1'  and segid CPGA )

       ( resid 17 and name H4'  and segid CPGA )  72.00 0.35 0.35  89.90 0.35 0.35 107.90 0.35 0.35

assign ( resid 18 and name H1'  and segid CPGA )

       ( resid 18 and name H4'  and segid CPGA )  41.20 0.35 0.35  50.10 0.35 0.35  67.20 0.35 0.35

assign ( resid 20 and name H1'  and segid CPGA )

       ( resid 20 and name H4'  and segid CPGA )  51.70 0.35 0.35  66.70 0.35 0.35  98.70 0.35 0.35

assign ( resid  1 and name 1H2' and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT ) 114.60 0.40 0.40 144.50 0.40 0.40 163.00 0.40 0.40

assign ( resid  3 and name 1H2' and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT )  61.80 0.35 0.35  70.50 0.35 0.35  66.80 0.35 0.35

assign ( resid  6 and name 1H2' and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT ) 138.10 0.35 0.35 149.50 0.35 0.35 145.00 0.35 0.35

assign ( resid 12 and name 1H2' and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA )  90.30 0.35 0.35 107.50 0.35 0.35 101.40 0.35 0.35

assign ( resid 15 and name 1H2' and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA ) 100.50 0.35 0.35 114.00 0.35 0.35 114.20 0.35 0.35

assign ( resid 16 and name 1H2' and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 268.50 0.35 0.35 316.50 0.35 0.35 303.00 0.35 0.35

assign ( resid 17 and name 1H2' and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA )  40.50 0.35 0.35  46.10 0.35 0.35  42.10 0.35 0.35

assign ( resid 20 and name 1H2' and segid CPGA )

       ( resid 20 and name H3'  and segid CPGA )  83.00 0.35 0.35 118.00 0.35 0.35 156.50 0.35 0.35

assign ( resid  1 and name 2H2' and segid 64TT )

       ( resid  1 and name H3'  and segid 64TT )  68.20 0.40 0.40 103.60 0.40 0.40 151.00 0.40 0.40

assign ( resid  3 and name 2H2' and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT )  44.80 0.35 0.35  54.20 0.35 0.35  66.50 0.35 0.35

assign ( resid  6 and name 2H2' and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT )  27.80 0.35 0.35  36.90 0.35 0.35  39.10 0.35 0.35

assign ( resid  7 and name 2H2' and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT )  64.60 0.45 0.45  74.20 0.45 0.45  80.50 0.45 0.45

assign ( resid  8 and name 2H2' and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT ) 122.00 0.45 0.45 169.00 0.45 0.45 213.00 0.45 0.45

assign ( resid 12 and name 2H2' and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA )  66.60 0.35 0.35  91.20 0.35 0.35 109.30 0.35 0.35

assign ( resid 14 and name 2H2' and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA )  40.00 0.40 0.40  56.10 0.40 0.40  62.80 0.40 0.40

assign ( resid 15 and name 2H2' and segid CPGA )

       ( resid 15 and name H3'  and segid CPGA )  48.80 0.35 0.35  67.40 0.35 0.35  78.00 0.35 0.35

assign ( resid 16 and name 2H2' and segid CPGA )

       ( resid 16 and name H3'  and segid CPGA ) 211.50 0.35 0.35 261.00 0.35 0.35 274.00 0.35 0.35

assign ( resid 17 and name 2H2' and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA )  36.30 0.35 0.35  49.40 0.35 0.35  55.00 0.35 0.35

assign ( resid 19 and name 2H2' and segid CPGA )

       ( resid 19 and name H3'  and segid CPGA ) 118.00 0.40 0.40 165.00 0.40 0.40 204.00 0.40 0.40

assign ( resid 20 and name 2H2' and segid CPGA )

       ( resid 20 and name H3'  and segid CPGA ) 100.20 0.35 0.35 126.60 0.35 0.35 148.00 0.35 0.35

assign ( resid  1 and name H3'  and segid 64TT )

       ( resid  1 and name H4'  and segid 64TT ) 177.50 0.35 0.35 255.00 0.35 0.35 379.00 0.35 0.35

assign ( resid  3 and name H3'  and segid 64TT )

       ( resid  3 and name H4'  and segid 64TT ) 168.30 0.40 0.40 243.50 0.40 0.40 332.50 0.40 0.40

assign ( resid  4 and name H3'  and segid 64TT )

       ( resid  4 and name H4'  and segid 64TT )  58.50 0.45 0.45  90.20 0.45 0.45 126.00 0.45 0.45

assign ( resid  5 and name H3'  and segid 64TT )

       ( resid  5 and name H4'  and segid 64TT )  55.80 0.35 0.35  62.40 0.35 0.35  51.90 0.35 0.35

assign ( resid  6 and name H3'  and segid 64TT )

       ( resid  6 and name H4'  and segid 64TT )   5.70 0.35 0.35  18.20 0.35 0.35  35.40 0.35 0.35

assign ( resid  7 and name H3'  and segid 64TT )

       ( resid  7 and name H4'  and segid 64TT ) 113.00 0.45 0.45 141.00 0.45 0.45 172.00 0.45 0.45

assign ( resid  8 and name H3'  and segid 64TT )

       ( resid  8 and name H4'  and segid 64TT ) 286.50 0.50 0.50 388.50 0.50 0.50 502.50 0.50 0.50

assign ( resid 10 and name H3'  and segid 64TT )

       ( resid 10 and name H4'  and segid 64TT )  84.50 0.35 0.35 105.70 0.35 0.35 129.50 0.35 0.35

assign ( resid 12 and name H3'  and segid CPGA )

       ( resid 12 and name H4'  and segid CPGA ) 126.90 0.40 0.40 184.00 0.40 0.40 259.50 0.40 0.40

assign ( resid 15 and name H3'  and segid CPGA )

       ( resid 15 and name H4'  and segid CPGA ) 118.20 0.40 0.40 183.00 0.40 0.40 254.00 0.40 0.40

assign ( resid 17 and name H3'  and segid CPGA )

       ( resid 17 and name H4'  and segid CPGA ) 157.70 0.40 0.40 211.90 0.40 0.40 286.50 0.40 0.40

assign ( resid 20 and name H3'  and segid CPGA )

       ( resid 20 and name H4'  and segid CPGA )  94.00 0.35 0.35 131.50 0.35 0.35 200.00 0.35 0.35

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  3 and name H6   and segid 64TT ) 112.50 0.20 0.20 137.50 0.20 0.20 146.00 0.20 0.20

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  8 and name H6   and segid 64TT ) 120.00 0.20 0.20 143.50 0.20 0.20 149.00 0.20 0.20

assign ( resid  1 and name H5   and segid 64TT )

       ( resid  1 and name 1H2' and segid 64TT )  13.90 0.25 0.25  28.50 0.25 0.25  54.40 0.25 0.25

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT )  11.90 0.30 0.30  17.00 0.30 0.30  32.70 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT )   9.50 0.30 0.30  19.60 0.30 0.30  32.30 0.30 0.30

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA )  10.10 0.30 0.30  22.20 0.30 0.30  37.00 0.30 0.30

assign ( resid 19 and name H5   and segid CPGA )

       ( resid 19 and name 1H2' and segid CPGA )  17.50 0.30 0.30  32.20 0.30 0.30  58.50 0.30 0.30

assign ( resid  1 and name H5   and segid 64TT )

       ( resid  1 and name 2H2' and segid 64TT )  17.40 0.30 0.30  26.10 0.30 0.30  49.80 0.30 0.30

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT )   7.00 0.35 0.35  17.90 0.35 0.35  34.40 0.35 0.35

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT )   2.50 0.40 0.40   4.40 0.40 0.40  15.60 0.40 0.40

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 12 and name 2H2' and segid CPGA )   4.20 0.40 0.40   7.40 0.40 0.40  24.70 0.40 0.40

assign ( resid  5 and name H6   and segid 64TT )

       ( resid  5 and name #H5M and segid 64TT )  79.10 0.30 0.30  91.60 0.30 0.30  91.50 0.30 0.30

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  6 and name #H5M and segid 64TT )  26.30 0.30 0.30  46.70 0.30 0.30  73.00 0.30 0.30

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  6 and name 1H2' and segid 64TT )  21.70 0.30 0.30  30.40 0.30 0.30  33.30 0.30 0.30

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT )   3.40 0.30 0.30   6.70 0.30 0.30  10.60 0.30 0.30

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA )   7.40 0.30 0.30  15.60 0.30 0.30  24.00 0.30 0.30

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA )   5.50 0.30 0.30  16.60 0.30 0.30  25.40 0.30 0.30

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA )  10.20 0.30 0.30  16.60 0.30 0.30  21.20 0.30 0.30

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA )   6.50 0.30 0.30  10.80 0.30 0.30  16.00 0.30 0.30

assign ( resid  4 and name H2   and segid 64TT )

       ( resid  4 and name H1'  and segid 64TT )   4.10 0.20 0.20   5.30 0.20 0.20   7.60 0.20 0.20

assign ( resid  7 and name H2   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT )   4.30 0.20 0.20   5.30 0.20 0.20   8.70 0.20 0.20

assign ( resid 16 and name H2   and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA )   3.30 0.20 0.20   2.90 0.20 0.20   5.40 0.20 0.20

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  2 and name H1'  and segid 64TT )  23.20 0.30 0.40  31.30 0.30 0.40  39.80 0.30 0.40

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name H1'  and segid 64TT )  21.40 0.30 0.30  34.40 0.30 0.30  40.70 0.30 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name H1'  and segid 64TT )  14.10 0.25 0.30  21.90 0.25 0.30  26.30 0.25 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT )  23.80 0.25 0.30  33.70 0.25 0.30  41.80 0.25 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name H1'  and segid 64TT )  27.00 0.25 0.30  35.70 0.25 0.30  44.30 0.25 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid  9 and name H1'  and segid 64TT )  29.90 0.40 0.40  39.30 0.40 0.40  48.80 0.40 0.40

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 11 and name H1'  and segid CPGA )  44.50 0.40 0.40  56.40 0.40 0.40  69.00 0.40 0.40

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name H1'  and segid CPGA )  28.30 0.30 0.30  36.80 0.30 0.30  41.60 0.30 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name H1'  and segid CPGA )  20.90 0.30 0.30  34.40 0.30 0.30  48.40 0.30 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name H1'  and segid CPGA )  15.90 0.30 0.30  22.70 0.30 0.30  35.60 0.30 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA )  18.00 0.30 0.30  19.80 0.30 0.30  23.30 0.30 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name H1'  and segid CPGA )  17.60 0.30 0.30  21.80 0.30 0.30  30.00 0.30 0.30

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA )  38.10 0.30 0.40  47.20 0.30 0.40  63.30 0.30 0.40

assign ( resid 20 and name H8   and segid CPGA )

       ( resid 19 and name H1'  and segid CPGA )  12.60 0.40 0.40  18.80 0.40 0.40  31.10 0.40 0.40

assign ( resid  1 and name H6   and segid 64TT )

       ( resid  2 and name H8   and segid 64TT )   6.60 0.25 0.25  11.00 0.25 0.25  22.60 0.25 0.25

assign ( resid  2 and name H8   and segid 64TT )

       ( resid  3 and name H6   and segid 64TT )   6.50 0.25 0.25  11.60 0.25 0.25  23.50 0.25 0.25

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  4 and name H8   and segid 64TT )   2.80 0.25 0.25   8.90 0.25 0.25   9.20 0.25 0.25

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  8 and name H6   and segid 64TT )   7.50 0.25 0.25  13.10 0.25 0.25  22.60 0.25 0.25

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  9 and name H8   and segid 64TT )   7.20 0.25 0.25  14.10 0.25 0.25  25.50 0.25 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid 10 and name H6   and segid 64TT )   5.40 0.25 0.25   9.00 0.25 0.25  15.70 0.25 0.25

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 14 and name H6   and segid CPGA )   7.20 0.25 0.25  11.20 0.25 0.25  19.90 0.25 0.25

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 15 and name H8   and segid CPGA )   5.30 0.25 0.25  13.40 0.25 0.25  21.10 0.25 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 16 and name H8   and segid CPGA )   2.70 0.25 0.25   9.80 0.25 0.25  16.00 0.25 0.25

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 17 and name H6   and segid CPGA )   5.40 0.25 0.25   8.50 0.25 0.25  17.90 0.25 0.25

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 18 and name H8   and segid CPGA )   3.50 0.25 0.25   8.30 0.25 0.25  14.90 0.25 0.25

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 19 and name H6   and segid CPGA )   5.20 0.25 0.25  17.60 0.25 0.25  31.20 0.25 0.25

assign ( resid  3 and name H6   and segid 64TT )

       ( resid  2 and name 1H2' and segid 64TT )  22.20 0.30 0.40  30.50 0.30 0.40  34.70 0.30 0.40

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name 1H2' and segid 64TT )  16.20 0.25 0.30  21.20 0.25 0.30  21.50 0.25 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name 1H2' and segid 64TT )  11.40 0.25 0.30  14.10 0.25 0.30  13.60 0.25 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT )  32.50 0.30 0.30  38.30 0.30 0.30  40.40 0.30 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name 1H2' and segid 64TT )  19.70 0.30 0.30  24.80 0.30 0.30  26.60 0.30 0.30

assign ( resid 10 and name H6   and segid 64TT )

       ( resid  9 and name 1H2' and segid 64TT )  13.60 0.30 0.30  19.60 0.30 0.30  21.00 0.30 0.30

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 11 and name 1H2' and segid CPGA )  17.10 0.40 0.40  26.50 0.40 0.40  31.60 0.40 0.40

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 12 and name 1H2' and segid CPGA )  15.50 0.30 0.40  22.80 0.30 0.40  28.40 0.30 0.40

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name 1H2' and segid CPGA )  10.60 0.25 0.30  17.50 0.25 0.30  16.60 0.25 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name 1H2' and segid CPGA )  10.50 0.30 0.30  16.20 0.30 0.30  19.10 0.30 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name 1H2' and segid CPGA )  11.10 0.30 0.30  14.20 0.30 0.30  17.50 0.30 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA )   9.10 0.25 0.30  14.90 0.25 0.30  19.90 0.25 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name 1H2' and segid CPGA )   8.20 0.30 0.40  13.70 0.30 0.40  14.70 0.30 0.40

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name 1H2' and segid CPGA )  22.20 0.25 0.30  27.90 0.25 0.30  33.20 0.25 0.30

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name 2H2' and segid 64TT )  19.70 0.25 0.30  24.20 0.25 0.30  27.80 0.25 0.30

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name 2H2' and segid 64TT )  15.90 0.30 0.30  21.30 0.30 0.30  26.30 0.30 0.30

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT )  26.80 0.30 0.30  27.80 0.30 0.30  24.00 0.30 0.30

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name 2H2' and segid 64TT )  36.50 0.25 0.30  45.60 0.25 0.30  41.20 0.25 0.30

assign ( resid 12 and name H6   and segid CPGA )

       ( resid 11 and name 2H2' and segid CPGA )  28.00 0.30 0.40  34.70 0.30 0.40  32.80 0.30 0.40

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name 2H2' and segid CPGA )  27.00 0.25 0.30  26.70 0.25 0.30  19.20 0.25 0.30

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name 2H2' and segid CPGA )  30.00 0.30 0.30  35.70 0.30 0.30  37.50 0.30 0.30

assign ( resid 16 and name H8   and segid CPGA )

       ( resid 15 and name 2H2' and segid CPGA )  13.20 0.30 0.30  17.50 0.30 0.30  19.60 0.30 0.30

assign ( resid 17 and name H6   and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA )  17.80 0.30 0.30  18.80 0.30 0.30  19.60 0.30 0.30

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name 2H2' and segid CPGA )  23.50 0.30 0.40  27.40 0.30 0.40  33.50 0.30 0.40

assign ( resid 19 and name H6   and segid CPGA )

       ( resid 18 and name 2H2' and segid CPGA )  19.60 0.25 0.30  26.00 0.25 0.30  28.70 0.25 0.30

assign ( resid  4 and name H8   and segid 64TT )

       ( resid  3 and name H3'  and segid 64TT )   8.90 0.20 0.20  13.30 0.20 0.20  20.10 0.20 0.20

assign ( resid  6 and name H6   and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT )   2.70 0.25 0.25   3.90 0.25 0.25   6.40 0.25 0.25

assign ( resid  7 and name H8   and segid 64TT )

       ( resid  6 and name H3'  and segid 64TT )   3.10 0.20 0.20   4.10 0.20 0.20   8.50 0.20 0.20

assign ( resid  8 and name H6   and segid 64TT )

       ( resid  7 and name H3'  and segid 64TT )   5.10 0.25 0.25   7.90 0.25 0.25  12.20 0.25 0.25

assign ( resid  9 and name H8   and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT )   4.60 0.25 0.25  13.90 0.25 0.25  25.40 0.25 0.25

assign ( resid 13 and name H8   and segid CPGA )

       ( resid 12 and name H3'  and segid CPGA )   6.00 0.25 0.25   6.70 0.25 0.25  13.10 0.25 0.25

assign ( resid 14 and name H6   and segid CPGA )

       ( resid 13 and name H3'  and segid CPGA )   4.80 0.25 0.25   5.70 0.25 0.25  13.10 0.25 0.25

assign ( resid 15 and name H8   and segid CPGA )

       ( resid 14 and name H3'  and segid CPGA )   4.80 0.25 0.25   9.40 0.25 0.25  10.10 0.25 0.25

assign ( resid 18 and name H8   and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA )  11.30 0.20 0.20  12.70 0.20 0.20  16.50 0.20 0.20

assign ( resid  4 and name H1'  and segid 64TT )

       ( resid  5 and name H3'  and segid 64TT )   5.60 0.25 0.25   5.60 0.25 0.25  11.30 0.25 0.25

assign ( resid  7 and name H1'  and segid 64TT )

       ( resid  8 and name H3'  and segid 64TT )   5.10 0.25 0.25   7.00 0.25 0.25  16.80 0.25 0.25

assign ( resid 16 and name H1'  and segid CPGA )

       ( resid 17 and name H3'  and segid CPGA )   4.90 0.25 0.25   5.20 0.25 0.25   8.70 0.25 0.25

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  2 and name H8   and segid 64TT )  15.70 0.30 0.30  24.60 0.30 0.30  43.20 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name H8   and segid 64TT )  17.70 0.25 0.25  27.00 0.25 0.25  41.30 0.25 0.25

assign ( resid 10 and name H5   and segid 64TT )

       ( resid  9 and name H8   and segid 64TT )   5.10 0.25 0.25  10.10 0.25 0.25  11.40 0.25 0.25

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name H8   and segid CPGA )  12.40 0.25 0.25  18.60 0.25 0.25  37.20 0.25 0.25

assign ( resid 19 and name H5   and segid CPGA )

       ( resid 18 and name H8   and segid CPGA )  15.50 0.30 0.30  26.60 0.30 0.30  45.00 0.30 0.30

assign ( resid  3 and name H5   and segid 64TT )

       ( resid  2 and name H1'  and segid 64TT )  13.00 0.30 0.30  25.00 0.30 0.30  53.00 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name H1'  and segid 64TT )   6.30 0.25 0.25  12.20 0.25 0.25  29.00 0.25 0.25

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name H1'  and segid CPGA )  12.00 0.30 0.30  24.60 0.30 0.30  44.50 0.30 0.30

assign ( resid 19 and name H5   and segid CPGA )

       ( resid 18 and name H1'  and segid CPGA )  15.00 0.30 0.30  30.80 0.30 0.30  59.50 0.30 0.30

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name 1H2' and segid 64TT )  17.40 0.35 0.35  23.50 0.35 0.35  33.10 0.35 0.35

assign ( resid  8 and name H5   and segid 64TT )

       ( resid  7 and name 2H2' and segid 64TT )  10.00 0.30 0.30  14.90 0.30 0.30  24.30 0.30 0.30

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name 1H2' and segid CPGA )  16.90 0.30 0.30  23.20 0.30 0.30  35.20 0.30 0.30

assign ( resid 12 and name H5   and segid CPGA )

       ( resid 11 and name 2H2' and segid CPGA )  30.40 0.40 0.40  38.80 0.40 0.40  56.30 0.40 0.40

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  4 and name H8   and segid 64TT )  25.60 0.30 0.30  31.30 0.30 0.30  44.00 0.30 0.30

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name H8   and segid CPGA )  59.40 0.30 0.30  84.90 0.30 0.30 112.50 0.30 0.30

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name H8   and segid CPGA )  32.20 0.30 0.30  47.70 0.30 0.30  72.10 0.30 0.30

assign ( resid  5 and name #H5M and segid 64TT )

       ( resid  4 and name H1'  and segid 64TT )  26.90 0.30 0.30  40.50 0.30 0.30  54.70 0.30 0.30

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  5 and name H1'  and segid 64TT )   3.90 0.25 0.25   6.80 0.25 0.25  13.80 0.25 0.25

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name H1'  and segid CPGA )  16.10 0.30 0.30  29.80 0.30 0.30  58.40 0.30 0.30

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name H1'  and segid CPGA )   6.80 0.30 0.30  15.70 0.30 0.30  28.90 0.30 0.30

assign ( resid  6 and name #H5M and segid 64TT )

       ( resid  5 and name 1H2' and segid 64TT )   7.20 0.25 0.25  15.30 0.25 0.25  17.20 0.25 0.25

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name 1H2' and segid CPGA )  26.20 0.30 0.30  39.20 0.30 0.30  58.70 0.30 0.30

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name 1H2' and segid CPGA )  15.70 0.35 0.35  30.70 0.35 0.35  44.50 0.35 0.35

assign ( resid 14 and name #H5M and segid CPGA )

       ( resid 13 and name 2H2' and segid CPGA )  30.70 0.30 0.30  47.90 0.30 0.30  62.70 0.30 0.30

assign ( resid 17 and name #H5M and segid CPGA )

       ( resid 16 and name 2H2' and segid CPGA )  16.20 0.30 0.30  24.90 0.30 0.30  34.90 0.30 0.30

assign ( resid  7 and name H2   and segid 64TT )

       ( resid  4 and name H1'  and segid CPGA )   1.80 0.25 0.25   5.60 0.25 0.25   8.10 0.25 0.25

assign ( resid 16 and name H2   and segid CPGA )

       ( resid  5 and name H1'  and segid 64TT )   3.70 0.25 0.25   5.10 0.25 0.25   6.40 0.25 0.25

assign ( resid  4 and name H2   and segid 64TT )

       ( resid  5 and name H1'  and segid 64TT )   4.80 0.25 0.25   9.10 0.25 0.25  12.80 0.25 0.25

assign ( resid  7 and name H2   and segid 64TT )

       ( resid  8 and name H1'  and segid 64TT )   7.80 0.25 0.25   7.90 0.25 0.25  12.90 0.25 0.25

assign ( resid  4 and name H2   and segid 64TT )

       ( resid 16 and name H2   and segid CPGA )   7.30 0.25 0.25   8.40 0.25 0.25  13.20 0.25 0.25


  Entry H atom name         Submitted Coord H atom name
    1   1H2*    C   1          1H2*        C   1   2.891  -7.794   4.830
    2   2H2*    C   1          2H2*        C   1   4.493  -7.299   4.663
    3    H5T    C   1           H5T        C   1   2.821 -10.735   1.286
    4   1H5*    C   1          1H5*        C   1   3.491 -12.104   3.565
    5   2H5*    C   1          2H5*        C   1   2.072 -10.978   3.547
    6    H4*    C   1           H4*        C   1   4.946 -10.310   2.681
    7    H3*    C   1           H3*        C   1   3.560 -10.008   5.010
    8    H1*    C   1           H1*        C   1   4.841  -7.558   2.474
    9   1H4     C   1          1H4         C   1   0.373  -2.889   1.495
   10   2H4     C   1          2H4         C   1  -0.869  -3.945   2.133
   11    H5     C   1           H5         C   1  -0.253  -6.371   2.973
   12    H6     C   1           H6         C   1   1.641  -7.880   3.188
   13   1H2*    G   2          1H2*        G   2   5.442  -5.122   7.634
   14   2H2*    G   2          2H2*        G   2   6.328  -3.629   8.127
   15   1H5*    G   2          1H5*        G   2   7.476  -7.432   4.595
   16   2H5*    G   2          2H5*        G   2   8.483  -7.611   6.076
   17    H4*    G   2           H4*        G   2   8.487  -5.283   5.271
   18    H3*    G   2           H3*        G   2   7.609  -5.961   7.984
   19    H1*    G   2           H1*        G   2   6.795  -3.107   5.903
   20    H8     G   2           H8         G   2   4.110  -5.431   5.758
   21    H1     G   2           H1         G   2   2.060   0.485   4.343
   22   1H2     G   2          1H2         G   2   3.778   1.884   4.525
   23   2H2     G   2          2H2         G   2   5.356   1.281   5.025
   24   1H2*    C   3          1H2*        C   3   6.152  -0.662  10.612
   25   2H2*    C   3          2H2*        C   3   6.506   0.952  10.822
   26   1H5*    C   3          1H5*        C   3   7.501  -1.344   7.138
   27   2H5*    C   3          2H5*        C   3   9.278  -1.171   7.236
   28    H4*    C   3           H4*        C   3   9.044   0.833   8.150
   29    H3*    C   3           H3*        C   3   8.555  -0.457  10.527
   30    H1*    C   3           H1*        C   3   5.760   1.986   9.247
   31   1H4     C   3          1H4         C   3   0.520  -1.379   7.420
   32   2H4     C   3          2H4         C   3   1.446  -2.866   7.463
   33    H5     C   3           H5         C   3   3.915  -2.904   8.064
   34    H6     C   3           H6         C   3   5.767  -1.605   8.595
   35   1H2*    A   4          1H2*        A   4   4.404   3.137  14.062
   36   2H2*    A   4          2H2*        A   4   3.429   4.663  14.054
   37   1H5*    A   4          1H5*        A   4   7.677   4.301  10.791
   38   2H5*    A   4          2H5*        A   4   8.103   4.967  12.409
   39    H4*    A   4           H4*        A   4   5.831   5.626  11.606
   40    H3*    A   4           H3*        A   4   6.137   4.182  14.204
   41    H1*    A   4           H1*        A   4   3.107   4.565  11.814
   42    H8     A   4           H8         A   4   4.912   1.534  12.678
   43   1H6     A   4          1H6         A   4   0.040  -1.704  10.406
   44   2H6     A   4          2H6         A   4   1.600  -1.925  11.180
   45    H2     A   4           H2         A   4  -0.652   2.736   9.927
   46   1H5*   +T   5          1H5*       +T   5   2.599   7.218  11.513
   47   2H5*   +T   5          2H5*       +T   5   2.266   8.715  12.449
   48    H4*   +T   5           H4*       +T   5   0.193   7.767  12.021
   49    H3*   +T   5           H3*       +T   5   1.151   7.564  14.959
   50   1H2*   +T   5          1H2*       +T   5   1.293   5.771  14.761
   51   2H2*   +T   5          2H2*       +T   5  -0.360   6.106  15.547
   52    H1*   +T   5           H1*       +T   5  -1.255   5.223  13.137
   53    H3    +T   5           H3        +T   5  -1.162   0.792  13.342
   54   1H5M   +T   5          1H5M       +T   5   3.108   1.534  15.391
   55   2H5M   +T   5          2H5M       +T   5   2.363   2.627  14.233
   56   3H5M   +T   5          3H5M       +T   5   2.788   3.194  15.807
   57    H6    +T   5           H6        +T   5   0.966   4.163  15.921
   58    H    HYD   5           H        HYD   5   0.546   0.983  17.387
   59   1H5*   +T   6          1H5*       +T   6  -4.532   7.336  15.090
   60   2H5*   +T   6          2H5*       +T   6  -4.480   8.940  15.879
   61    H4*   +T   6           H4*       +T   6  -6.254   7.588  16.852
   62    H3*   +T   6           H3*       +T   6  -4.250   8.666  18.578
   63   1H2*   +T   6          1H2*       +T   6  -3.101   6.802  18.929
   64   2H2*   +T   6          2H2*       +T   6  -3.861   6.479  20.229
   65    H1*   +T   6           H1*       +T   6  -5.117   4.755  18.801
   66   1H5M   +T   6          1H5M       +T   6   1.227   5.130  17.792
   67   2H5M   +T   6          2H5M       +T   6   0.034   6.485  18.054
   68   3H5M   +T   6          3H5M       +T   6   0.054   5.157  19.172
   69    H6    +T   6           H6        +T   6  -1.770   5.754  18.712
   70   1H2*    A   7          1H2*        A   7  -6.397   4.517  23.848
   71   2H2*    A   7          2H2*        A   7  -7.321   3.315  24.323
   72   1H5*    A   7          1H5*        A   7  -8.347   5.751  19.885
   73   2H5*    A   7          2H5*        A   7  -9.003   6.580  21.344
   74    H4*    A   7           H4*        A   7  -9.487   4.172  21.422
   75    H3*    A   7           H3*        A   7  -8.347   5.417  23.611
   76    H1*    A   7           H1*        A   7  -7.219   1.892  22.454
   77    H8     A   7           H8         A   7  -5.454   4.869  21.905
   78   1H6     A   7          1H6         A   7  -0.453   1.527  20.139
   79   2H6     A   7          2H6         A   7  -0.997   3.184  20.374
   80    H2     A   7           H2         A   7  -3.924  -1.188  21.200
   81   1H2*    C   8          1H2*        C   8  -6.219   0.777  26.754
   82   2H2*    C   8          2H2*        C   8  -6.025  -0.813  27.042
   83   1H5*    C   8          1H5*        C   8  -9.157   1.003  23.407
   84   2H5*    C   8          2H5*        C   8 -10.129   0.271  24.737
   85    H4*    C   8           H4*        C   8  -8.357  -1.269  24.364
   86    H3*    C   8           H3*        C   8  -8.183   0.081  26.787
   87    H1*    C   8           H1*        C   8  -5.668  -1.642  24.838
   88   1H4     C   8          1H4         C   8  -0.394   1.810  23.475
   89   2H4     C   8          2H4         C   8  -1.218   3.316  23.869
   90    H5     C   8           H5         C   8  -3.761   3.264  24.652
   91    H6     C   8           H6         C   8  -5.570   1.844  25.033
   92   1H2*    G   9          1H2*        G   9  -3.881  -3.048  29.466
   93   2H2*    G   9          2H2*        G   9  -2.534  -4.067  29.621
   94   1H5*    G   9          1H5*        G   9  -6.751  -4.718  26.449
   95   2H5*    G   9          2H5*        G   9  -7.057  -5.525  28.028
   96    H4*    G   9           H4*        G   9  -4.790  -6.098  27.194
   97    H3*    G   9           H3*        G   9  -5.217  -4.572  29.726
   98    H1*    G   9           H1*        G   9  -2.314  -4.789  27.442
   99    H8     G   9           H8         G   9  -4.025  -1.761  27.777
  100    H1     G   9           H1         G   9   1.789  -0.799  25.385
  101   1H2     G   9          1H2         G   9   2.844  -2.791  25.201
  102   2H2     G   9          2H2         G   9   1.964  -4.248  25.719
  103   1H2*    C  10          1H2*        C  10   0.710  -5.198  31.435
  104   2H2*    C  10          2H2*        C  10   2.363  -5.156  31.537
  105   1H5*    C  10          1H5*        C  10  -0.952  -6.988  27.914
  106   2H5*    C  10          2H5*        C  10  -0.831  -8.263  29.179
  107    H4*    C  10           H4*        C  10   1.480  -7.613  28.543
  108    H3*    C  10           H3*        C  10   0.444  -7.232  31.177
  109    H1*    C  10           H1*        C  10   2.997  -5.226  29.400
  110   1H4     C  10          1H4         C  10   1.538   1.208  28.936
  111   2H4     C  10          2H4         C  10  -0.139   0.763  29.206
  112    H5     C  10           H5         C  10  -0.909  -1.391  29.568
  113    H6     C  10           H6         C  10  -0.203  -3.857  29.738
  114    H3T    C  10           H3T        C  10   3.199  -7.184  30.716
  115   1H2*    G  11          1H2*        G  11   7.339   5.007  24.499
  116   2H2*    G  11          2H2*        G  11   8.164   3.647  23.909
  117    H5T    G  11           H5T        G  11   9.139   6.536  27.846
  118   1H5*    G  11          1H5*        G  11  10.249   7.472  25.525
  119   2H5*    G  11          2H5*        G  11   8.481   7.097  25.618
  120    H4*    G  11           H4*        G  11  10.801   5.183  26.392
  121    H3*    G  11           H3*        G  11   9.727   5.572  23.949
  122    H1*    G  11           H1*        G  11   8.574   2.829  26.098
  123    H8     G  11           H8         G  11   6.201   5.767  26.804
  124    H1     G  11           H1         G  11   3.878   0.084  28.741
  125   1H2     G  11          1H2         G  11   5.256  -1.536  28.296
  126   2H2     G  11          2H2         G  11   6.787  -1.187  27.486
  127   1H2*    C  12          1H2*        C  12   6.770   0.741  22.166
  128   2H2*    C  12          2H2*        C  12   6.067  -0.745  21.840
  129   1H5*    C  12          1H5*        C  12  10.389   0.374  24.695
  130   2H5*    C  12          2H5*        C  12  10.940   0.021  23.016
  131    H4*    C  12           H4*        C  12   9.398  -1.698  23.640
  132    H3*    C  12           H3*        C  12   8.790   0.034  21.527
  133    H1*    C  12           H1*        C  12   6.580  -1.914  23.671
  134   1H4     C  12          1H4         C  12   1.680   1.837  25.802
  135   2H4     C  12          2H4         C  12   2.729   3.247  25.613
  136    H5     C  12           H5         C  12   5.107   3.074  24.750
  137    H6     C  12           H6         C  12   6.778   1.603  24.045
  138   1H2*    G  13          1H2*        G  13   4.896  -3.908  19.585
  139   2H2*    G  13          2H2*        G  13   3.601  -5.026  19.025
  140   1H5*    G  13          1H5*        G  13   7.416  -4.450  22.275
  141   2H5*    G  13          2H5*        G  13   7.918  -5.647  21.028
  142    H4*    G  13           H4*        G  13   5.865  -6.500  22.013
  143    H3*    G  13           H3*        G  13   5.701  -5.742  19.105
  144    H1*    G  13           H1*        G  13   2.922  -5.310  21.450
  145    H8     G  13           H8         G  13   4.891  -2.183  20.672
  146    H1     G  13           H1         G  13  -0.764  -0.863  23.401
  147   1H2     G  13          1H2         G  13  -1.875  -2.783  23.879
  148   2H2     G  13          2H2         G  13  -1.068  -4.304  23.462
  149   1H5*    T  14          1H5*        T  14   1.456  -8.206  20.678
  150   2H5*    T  14          2H5*        T  14   0.939  -9.043  19.162
  151    H4*    T  14           H4*        T  14  -0.911  -7.681  20.208
  152    H3*    T  14           H3*        T  14   0.068  -7.252  17.475
  153   1H2*    T  14          1H2*        T  14  -0.167  -5.525  17.463
  154   2H2*    T  14          2H2*        T  14  -1.321  -4.579  17.644
  155    H1*    T  14           H1*        T  14  -2.016  -5.277  20.009
  156    H3     T  14           H3         T  14  -1.429  -0.708  20.238
  157   1H5M    T  14          1H5M        T  14   3.215  -2.675  18.900
  158   2H5M    T  14          2H5M        T  14   2.330  -3.691  17.739
  159   3H5M    T  14          3H5M        T  14   2.489  -1.994  17.337
  160    H6     T  14           H6         T  14   1.072  -4.471  18.893
  161   1H2*    G  15          1H2*        G  15  -4.598  -5.763  15.277
  162   2H2*    G  15          2H2*        G  15  -5.847  -5.180  14.463
  163   1H5*    G  15          1H5*        G  15  -5.617  -7.099  19.251
  164   2H5*    G  15          2H5*        G  15  -5.834  -8.255  17.888
  165    H4*    G  15           H4*        G  15  -7.569  -6.372  17.849
  166    H3*    G  15           H3*        G  15  -6.078  -7.318  15.791
  167    H1*    G  15           H1*        G  15  -6.986  -3.879  16.158
  168    H8     G  15           H8         G  15  -3.677  -4.812  17.145
  169    H1     G  15           H1         G  15  -3.848   1.612  16.372
  170   1H2     G  15          1H2         G  15  -7.108   1.107  15.516
  171   2H2     G  15          2H2         G  15  -5.769   2.246  15.764
  172   1H2*    A  16          1H2*        A  16  -7.895  -3.727  11.188
  173   2H2*    A  16          2H2*        A  16  -8.140  -2.508  10.162
  174   1H5*    A  16          1H5*        A  16  -9.835  -3.799  14.809
  175   2H5*    A  16          2H5*        A  16 -10.697  -4.551  13.421
  176    H4*    A  16           H4*        A  16 -10.589  -2.024  13.278
  177    H3*    A  16           H3*        A  16  -9.830  -3.649  10.821
  178    H1*    A  16           H1*        A  16  -7.991  -0.684  11.795
  179    H8     A  16           H8         A  16  -6.672  -3.688  12.900
  180   1H6     A  16          1H6         A  16  -1.050  -1.518  14.102
  181   2H6     A  16          2H6         A  16  -2.107  -2.914  14.059
  182    H2     A  16           H2         A  16  -3.796   1.892  12.662
  183   1H5*    T  17          1H5*        T  17  -9.368   1.104  10.354
  184   2H5*    T  17          2H5*        T  17 -10.159   1.421   8.764
  185    H4*    T  17           H4*        T  17  -8.063   2.535   8.672
  186    H3*    T  17           H3*        T  17  -8.578   0.439   7.179
  187   1H2*    T  17          1H2*        T  17  -6.500  -0.793   7.090
  188   2H2*    T  17          2H2*        T  17  -5.436   0.239   6.733
  189    H1*    T  17           H1*        T  17  -5.575   2.097   8.331
  190    H3     T  17           H3         T  17  -1.456   0.031   9.785
  191   1H5M    T  17          1H5M        T  17  -6.018  -2.820  10.366
  192   2H5M    T  17          2H5M        T  17  -5.786  -2.862   8.719
  193   3H5M    T  17          3H5M        T  17  -4.848  -4.028   9.537
  194    H6     T  17           H6         T  17  -6.043  -1.010   9.206
  195   1H2*    G  18          1H2*        G  18  -4.717   4.094   3.765
  196   2H2*    G  18          2H2*        G  18  -3.778   5.477   3.449
  197   1H5*    G  18          1H5*        G  18  -7.795   4.751   6.475
  198   2H5*    G  18          2H5*        G  18  -8.002   5.773   5.015
  199    H4*    G  18           H4*        G  18  -6.110   6.581   6.448
  200    H3*    G  18           H3*        G  18  -5.833   6.164   3.570
  201    H1*    G  18           H1*        G  18  -3.118   5.462   5.832
  202    H8     G  18           H8         G  18  -5.051   2.361   5.241
  203    H1     G  18           H1         G  18   0.879   1.108   7.378
  204   1H2     G  18          1H2         G  18   1.994   3.057   7.756
  205   2H2     G  18          2H2         G  18   1.123   4.568   7.404
  206   1H2*    C  19          1H2*        C  19  -0.265   5.652   1.969
  207   2H2*    C  19          2H2*        C  19   1.392   5.657   1.933
  208   1H5*    C  19          1H5*        C  19  -1.573   8.073   5.574
  209   2H5*    C  19          2H5*        C  19  -1.173   9.337   4.355
  210    H4*    C  19           H4*        C  19   0.847   8.066   4.816
  211    H3*    C  19           H3*        C  19  -0.383   7.751   2.119
  212    H1*    C  19           H1*        C  19   1.941   5.578   4.087
  213   1H4     C  19          1H4         C  19  -0.591  -0.376   3.568
  214   2H4     C  19          2H4         C  19  -2.212   0.231   3.278
  215    H5     C  19           H5         C  19  -2.575   2.931   3.235
  216    H6     C  19           H6         C  19  -1.425   4.942   3.508
  217   1H2*    G  20          1H2*        G  20   5.669   2.955  -0.312
  218   2H2*    G  20          2H2*        G  20   6.953   3.804   0.600
  219   1H5*    G  20          1H5*        G  20   4.039   6.587   3.198
  220   2H5*    G  20          2H5*        G  20   5.213   7.514   2.202
  221    H4*    G  20           H4*        G  20   6.307   5.462   2.065
  222    H3*    G  20           H3*        G  20   4.264   4.857   0.134
  223    H1*    G  20           H1*        G  20   5.844   2.502   2.260
  224    H8     G  20           H8         G  20   2.717   3.625   1.170
  225    H1     G  20           H1         G  20   3.079  -2.758   1.429
  226   1H2     G  20          1H2         G  20   5.076  -3.405   1.886
  227   2H2     G  20          2H2         G  20   6.373  -2.257   2.143
  228    H3T    G  20           H3T        G  20   5.401   6.750  -0.224