*HEADER   DEOXYRIBONUCLEIC ACID                   11-MAY-98   1HM1    
*TITLE    THE SOLUTION NMR STRUCTURE OF A THERMALLY STABLE FAPY ADDUCT
*TITLE   2 OF AFLATOXIN B1 IN AN OLIGODEOXYNUCLEOTIDE DUPLEX REFINED  
*TITLE   3 FROM DISTANCE RESTRAINED MOLECULAR DYNAMICS SIMULATED      
*TITLE   4 ANNEALING, MINIMIZED AVERAGE STRUCTURE                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FAPY ADDUCT OF AFLATOXIN B1 MODIFIED DNA DUPLEX; 
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: CHAIN A, GUA 5 -> FAG, FAPY ADDUCT OF       
*COMPND  6 AFLATOXIN B1\: 2'-DEOXY-N7-(8,9-DIHYDRO)-8-                
*COMPND  7 (2,6-DIAMINO-4-OXO-3,4-DIHYDROPYRIMIDYL-5-FORMAMIDO-9-     
*COMPND  8 (HYDROXY-AFLATOXIN B1)-GUANOSINE                           
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   AFLATOXIN B1, FAPY, FORMAMIDOPYRIMIDINE, INTERCALATION, DNA 
*KEYWDS  2 DUPLEX, NMR, SOLUTION STRUCTURE, DNA ADDUCT,               
*KEYWDS  3 DEOXYRIBONUCLEIC ACID                                      
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   H.MAO,Z.DENG,F.WANG,T.M.HARRIS,M.P.STONE                    
*REVDAT  1   14-OCT-98 1HM1    0                                      
 
# Distance restraints were applied in the structural refinements of deoxyguanisine formamido adduct of aflatoxin B1
# using molecular dynamics simulated annealing.  Distance restraints were derived from NOE data of 2D NOESY 
# experiements at 750 MHz. 
assign ( segi 1DNA and resi  1 and name  H4' ) ( segi 1DNA and resi  1 and name H5'' )   3.17  0.18  0.18 
assign ( segi 1DNA and resi  1 and name  H1' ) ( segi 1DNA and resi  1 and name  H4' )   2.92  0.12  0.12 
assign ( segi 1DNA and resi  1 and name  H2' ) ( segi 1DNA and resi  1 and name  H4' )   3.27  0.19  0.19 
assign ( segi 1DNA and resi  1 and name  H2' ) ( segi 1DNA and resi  1 and name  H1' )   3.24  0.48  0.48 
assign ( segi 1DNA and resi  1 and name  H2'') ( segi 1DNA and resi  1 and name   H6 )   3.11  0.13  0.13   
assign ( segi 1DNA and resi  1 and name  H1' ) ( segi 1DNA and resi  1 and name   H6 )   3.81  0.13  0.13   
assign ( segi 1DNA and resi  1 and name  H2' ) ( segi 1DNA and resi  1 and name   H5 )   4.27  0.25  0.25  
assign ( segi 1DNA and resi  1 and name H2'' ) ( segi 1DNA and resi  1 and name  H1' )   2.17  0.13  0.13 
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name  H5' )   3.45  0.14  0.14   
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name  H4' )   2.71  0.06  0.06 
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name  H2' )   2.41  0.12  0.12 
assign ( segi 1DNA and resi  1 and name  H1' ) ( segi 1DNA and resi  2 and name   H6 )   4.51  0.43  0.43
assign ( segi 1DNA and resi  1 and name   H6 ) ( segi 1DNA and resi  2 and name   H6 )   4.61  0.43  0.43
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  1 and name H2'' )   2.81  0.39  0.39  
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  1 and name  H2' )   4.31  0.39  0.39
assign ( segi 1DNA and resi  2 and name  H5# ) ( segi 1DNA and resi  1 and name   H6 )   4.21  0.22  0.22 
assign ( segi 1DNA and resi  2 and name  H5# ) ( segi 1DNA and resi  1 and name   H5 )   5.14  0.20  0.20 
assign ( segi 1DNA and resi  2 and name  H5# ) ( segi 1DNA and resi  1 and name  H2' )   4.16  0.35  0.35 
assign ( segi 1DNA and resi  2 and name  H5# ) ( segi 1DNA and resi  1 and name  H3' )   5.32  0.12  0.12 
assign ( segi 1DNA and resi  2 and name  H1' ) ( segi 1DNA and resi  2 and name  H4' )   3.33  0.10  0.10 
assign ( segi 1DNA and resi  2 and name  H5# ) ( segi 1DNA and resi  2 and name   H6 )   2.47  0.05  0.06 
assign ( segi 1DNA and resi  2 and name  H2' ) ( segi 1DNA and resi  2 and name  H1' )   2.51  0.17  0.17 
assign ( segi 1DNA and resi  2 and name H2'' ) ( segi 1DNA and resi  2 and name  H5' )   4.63  0.25  0.25 
assign ( segi 1DNA and resi  2 and name H2'' ) ( segi 1DNA and resi  2 and name H5'' )   5.01  0.30  0.30 
assign ( segi 1DNA and resi  2 and name H2'' ) ( segi 1DNA and resi  2 and name  H1' )   2.24  0.08  0.08 
assign ( segi 1DNA and resi  2 and name H2'' ) ( segi 1DNA and resi  2 and name   H6 )   2.97  0.13  0.13 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name  H5' )   3.13  0.15  0.15 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name H5'' )   2.73  0.31  0.31 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name  H4' )   2.60  0.10  0.10 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name  H2' )   2.31  0.50  0.50 
assign ( segi 1DNA and resi  3 and name  H5' ) ( segi 1DNA and resi  2 and name  H1' )   3.61  0.29  0.29 
assign ( segi 1DNA and resi  3 and name H5'' ) ( segi 1DNA and resi  2 and name  H1' )   4.78  0.29  0.29 
assign ( segi 1DNA and resi  3 and name  H4' ) ( segi 1DNA and resi  2 and name  H1' )   4.91  0.23  0.23 
assign ( segi 1DNA and resi  3 and name  H1' ) ( segi 1DNA and resi  3 and name  H4' )   3.11  0.07  0.07 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  2 and name  H1' )   3.96  0.44  0.44 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  2 and name  H2' )   4.77  0.20  0.20 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  2 and name H2'' )   3.07  0.20  0.20 
assign ( segi 1DNA and resi  3 and name  H2' ) ( segi 1DNA and resi  3 and name  H4' )   3.75  0.28  0.29 
assign ( segi 1DNA and resi  3 and name H2'' ) ( segi 1DNA and resi  3 and name  H5' )   4.36  0.19  0.19 
assign ( segi 1DNA and resi  3 and name H2'' ) ( segi 1DNA and resi  3 and name   H8 )   2.91  0.16  0.16 
assign ( segi 1DNA and resi  3 and name  H3' ) ( segi 1DNA and resi  3 and name  H4' )   2.52  0.06  0.06 
assign ( segi 1DNA and resi  3 and name  H3' ) ( segi 1DNA and resi  3 and name H2'' )   2.24  0.21  0.21 
assign ( segi 1DNA and resi  4 and name  H5' ) ( segi 1DNA and resi  3 and name  H1' )   3.20  0.15  0.15 
assign ( segi 1DNA and resi  4 and name  H4' ) ( segi 1DNA and resi  3 and name  H1' )   4.27  0.32  0.32 
assign ( segi 1DNA and resi  4 and name  H1' ) ( segi 1DNA and resi  4 and name  H5' )   4.90  0.41  0.41 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  3 and name  H2' )   3.95  0.52  0.52 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  3 and name H2'' )   2.69  0.14  0.14 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  4 and name  H1' )   3.79  0.68  0.68 
assign ( segi 1DNA and resi  4 and name  H5# ) ( segi 1DNA and resi  3 and name   H8 )   3.53  0.09  0.09 
assign ( segi 1DNA and resi  4 and name  H5# ) ( segi 1DNA and resi  3 and name H2'' )   3.67  0.08  0.08 
assign ( segi 1DNA and resi  4 and name  H5# ) ( segi 1DNA and resi  4 and name   H6 )   3.11  0.08  0.08 
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  4 and name  H5' )   3.68  0.69  0.69 
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  4 and name H5'' )   3.87  0.16  0.16 
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  4 and name   H6 )   2.40  0.09  0.09 
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  4 and name  H5# )   3.92  0.24  0.24 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name  H5' )   3.18  0.13  0.13 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name H5'' )   2.74  0.10  0.10 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name  H4' )   3.28  0.25  0.25 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name   H6 )   3.31  0.11  0.11 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name  H2' )   2.70  0.06  0.06 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name H2'' )   2.89  0.18  0.18 
assign ( segi 1DNA and resi  5 and name H5'' ) ( segi 1DNA and resi  4 and name  H1' )   4.40  0.15  0.15  
assign ( segi 1DNA and resi  5 and name  H1' ) ( segi 1DNA and resi  5 and name  H5' )   4.95  0.15  0.15 
assign ( segi 1DNA and resi  5 and name  H8A ) ( segi 1DNA and resi  5 and name  H5' )   5.31  0.21  0.21  
assign ( segi 1DNA and resi  5 and name  H8A ) ( segi 1DNA and resi  5 and name   H8 )   2.19  0.04  0.04 
assign ( segi 1DNA and resi  5 and name   H9 ) ( segi 1DNA and resi  5 and name  H8A )   2.78  0.17  0.17 
assign ( segi 1DNA and resi  5 and name  H9A ) ( segi 1DNA and resi  4 and name   H6 )   4.06  0.27  0.27 
assign ( segi 1DNA and resi  5 and name  H9A ) ( segi 1DNA and resi  4 and name  H5# )   3.65  0.10  0.09 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  4 and name   H6 )   3.09  0.05  0.05 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  4 and name  H5# )   3.71  0.13  0.13 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  5 and name  H8A )   3.69  0.13  0.13 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  5 and name   H9 )   3.57  0.19  0.19 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  5 and name  H9A )   2.33  0.03  0.03 
assign ( segi 1DNA and resi  5 and name  H5B ) ( segi 1DNA and resi  4 and name  H2' )   4.98  0.10  0.10  
assign ( segi 1DNA and resi  5 and name  H5B ) ( segi 1DNA and resi  4 and name  H1' )   4.00  0.17  0.17 
assign ( segi 1DNA and resi  5 and name  H5B ) ( segi 1DNA and resi  4 and name  H2' )   4.82  0.88  0.88 
assign ( segi 1DNA and resi  5 and name  H5B ) ( segi 1DNA and resi  5 and name  H5' )   4.73  0.74  0.74 
assign ( segi 1DNA and resi  5 and name  H5B ) ( segi 1DNA and resi  5 and name  H6A )   4.20  0.09  0.09 
assign ( segi 1DNA and resi  5 and name  H5# ) ( segi 1DNA and resi  4 and name  H1' )   5.22  0.08  0.08 
assign ( segi 1DNA and resi  5 and name  H5# ) ( segi 1DNA and resi  5 and name  H5' )   6.28  0.17  0.17 
assign ( segi 1DNA and resi  5 and name  H3A ) ( segi 1DNA and resi  5 and name  H5# )   3.41  0.13  0.13 
assign ( segi 1DNA and resi  5 and name  H3B ) ( segi 1DNA and resi  5 and name  H3A )   1.82  0.19  0.19 
assign ( segi 1DNA and resi  5 and name  H2A ) ( segi 1DNA and resi  5 and name  H3A )   2.89  0.18  0.18 
assign ( segi 1DNA and resi  5 and name  H2A ) ( segi 1DNA and resi  5 and name  H3B )   3.37  0.60  0.60 
assign ( segi 1DNA and resi  5 and name  H2B ) ( segi 1DNA and resi  5 and name  H2A )   2.27  0.22  0.22 
assign ( segi 1DNA and resi  5 and name  H2' ) ( segi 1DNA and resi  5 and name  H1' )   2.72  0.14  0.14 
assign ( segi 1DNA and resi  5 and name H2'' ) ( segi 1DNA and resi  5 and name  H1' )   2.49  0.11  0.11 
assign ( segi 1DNA and resi  5 and name  H3' ) ( segi 1DNA and resi  5 and name H2'' )   2.33  0.12  0.12 
assign ( segi 1DNA and resi  6 and name  H4' ) ( segi 1DNA and resi  6 and name H5'' )   3.03  0.13  0.13 
assign ( segi 1DNA and resi  6 and name  H1' ) ( segi 1DNA and resi  6 and name  H4' )   3.27  0.10  0.10 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  5 and name  H1' )   3.35  0.10  0.10  
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  5 and name  H9A )   3.71  0.12  0.12 
assign ( segi 1DNA and resi  6 and name  H2' ) ( segi 1DNA and resi  6 and name   H8 )   2.29  0.15  0.15 
assign ( segi 1DNA and resi  6 and name  H3' ) ( segi 1DNA and resi  6 and name  H4' )   2.54  0.04  0.04 
assign ( segi 1DNA and resi  6 and name  H3' ) ( segi 1DNA and resi  6 and name   H8 )   3.65  0.57  0.57 
assign ( segi 1DNA and resi  6 and name  H3' ) ( segi 1DNA and resi  6 and name  H2' )   2.49  0.17  0.17 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  6 and name  H1' )   3.24  0.48  0.48  
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  6 and name  H2' )   3.39  0.22  0.22 
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  6 and name   H8 )   3.85  0.21  0.22 
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  7 and name   H6 )   3.29  0.09  0.09 
assign ( segi 1DNA and resi  7 and name  H2' ) ( segi 1DNA and resi  7 and name  H1' )   3.43  0.75  0.75 
assign ( segi 1DNA and resi  7 and name  H2' ) ( segi 1DNA and resi  7 and name   H6 )   2.59  0.13  0.13 
assign ( segi 1DNA and resi  7 and name H2'' ) ( segi 1DNA and resi  7 and name   H6 )   3.29  0.13  0.13 
assign ( segi 1DNA and resi  7 and name  H3' ) ( segi 1DNA and resi  7 and name   H6 )   3.73  0.33  0.33 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  7 and name  H1' )   3.53  0.27  0.27  
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  7 and name H2'' )   2.55  0.19  0.19 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  8 and name  H1' )   3.58  0.51  0.51 
assign ( segi 1DNA and resi  8 and name  H5# ) ( segi 1DNA and resi  7 and name   H6 )   3.87  0.14  0.14 
assign ( segi 1DNA and resi  8 and name  H5# ) ( segi 1DNA and resi  7 and name  H5# )   4.25  0.17  0.17 
assign ( segi 1DNA and resi  8 and name  H5# ) ( segi 1DNA and resi  8 and name   H6 )   2.68  0.06  0.06 
assign ( segi 1DNA and resi  8 and name  H2' ) ( segi 1DNA and resi  8 and name H5'' )   3.91  0.15  0.15 
assign ( segi 1DNA and resi  8 and name  H2' ) ( segi 1DNA and resi  8 and name  H5' )   3.68  0.15  0.15 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  8 and name H5'' )   4.37  0.15  0.15 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  8 and name  H5' )   3.87  0.15  0.15 
assign ( segi 1DNA and resi  8 and name  H2' ) ( segi 1DNA and resi  8 and name  H1' )   2.71  0.15  0.15 
assign ( segi 1DNA and resi  8 and name H2'' ) ( segi 1DNA and resi  8 and name  H1' )   2.30  0.11  0.11 
assign ( segi 1DNA and resi  8 and name H2'' ) ( segi 1DNA and resi  8 and name   H6 )   3.17  0.28  0.28 
assign ( segi 1DNA and resi  8 and name  H3' ) ( segi 1DNA and resi  8 and name  H2' )   2.45  0.09  0.09 
assign ( segi 1DNA and resi  8 and name  H3' ) ( segi 1DNA and resi  8 and name H2'' )   2.81  0.15  0.15 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name  H1' )   3.75  0.33  0.33 
assign ( segi 1DNA and resi  9 and name   H5' ) ( segi 1DNA and resi  8 and name  H1' )   2.55  0.33  0.33 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name   H6 )   4.11  0.79  0.79 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name H2'' )   2.44  0.43  0.43 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  9 and name  H5' )   3.59  0.00  0.00 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  9 and name H5'' )   4.11  0.23  0.22 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  9 and name  H4' )   4.67  0.33  0.33 
assign ( segi 1DNA and resi  9 and name  H2' ) ( segi 1DNA and resi  9 and name  H1' )   2.82  0.22  0.22 
assign ( segi 1DNA and resi  9 and name  H2' ) ( segi 1DNA and resi  9 and name   H6 )   2.24  0.13  0.13 
assign ( segi 1DNA and resi  9 and name H2'' ) ( segi 1DNA and resi  9 and name  H1' )   2.16  0.08  0.09 
assign ( segi 1DNA and resi  9 and name H2'' ) ( segi 1DNA and resi  9 and name   H6 )   2.87  0.28  0.28 
assign ( segi 1DNA and resi  9 and name H2'' ) ( segi 1DNA and resi  9 and name  H2' )   2.00  0.15  0.15 
assign ( segi 1DNA and resi  9 and name  H3' ) ( segi 1DNA and resi  9 and name   H6 )   4.06  0.38  0.38 
assign ( segi 1DNA and resi 10 and name  H5' ) ( segi 1DNA and resi  9 and name  H1' )   2.76  0.23  0.23 
assign ( segi 1DNA and resi 10 and name  H5'' ) ( segi 1DNA and resi  9 and name  H1' )   3.96  0.23  0.23 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name H2'' )   2.86  0.23  0.23 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name  H2' )   3.96  0.23  0.23 
assign ( segi 1DNA and resi 10 and name  H1' ) ( segi 1DNA and resi 10 and name  H4' )   3.30  0.14  0.14 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name  H1' )   4.11  0.23  0.23 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name   H6 )   4.33  0.18  0.18 
assign ( segi 1DNA and resi 10 and name  H2' ) ( segi 1DNA and resi 10 and name  H4' )   3.71  0.25  0.25 
assign ( segi 1DNA and resi 10 and name  H2' ) ( segi 1DNA and resi 10 and name  H1' )   2.84  0.14  0.14 
assign ( segi 1DNA and resi 10 and name H2'' ) ( segi 1DNA and resi 10 and name  H4' )   4.15  0.38  0.38    
assign ( segi 1DNA and resi 10 and name H2'' ) ( segi 1DNA and resi 10 and name   H8 )   3.49  0.27  0.27 
assign ( segi 1DNA and resi 10 and name  H2' ) ( segi 1DNA and resi 10 and name   H8 )   2.49  0.27  0.27 
assign ( segi 1DNA and resi 10 and name  H3' ) ( segi 1DNA and resi 10 and name H5'' )   2.90  0.43  0.43 
assign ( segi 1DNA and resi 10 and name  H3' ) ( segi 1DNA and resi 10 and name  H4' )   2.79  0.18  0.18 
assign ( segi 1DNA and resi 10 and name  H3' ) ( segi 1DNA and resi 10 and name   H8 )   4.43  0.23  0.23 
assign ( segi 1DNA and resi 10 and name  H3' ) ( segi 1DNA and resi 10 and name  H2' )   2.46  0.18  0.18 
assign ( segi 1DNA and resi 10 and name  H3' ) ( segi 1DNA and resi 10 and name H2'' )   2.75  0.15  0.16 
assign ( segi 2DNA and resi 11 and name  H1' ) ( segi 2DNA and resi 11 and name  H4' )   3.10  0.16  0.16 
assign ( segi 2DNA and resi 11 and name   H6 ) ( segi 2DNA and resi 11 and name  H1' )   3.52  0.25  0.35 
assign ( segi 2DNA and resi 11 and name   H6 ) ( segi 2DNA and resi 11 and name  H4' )   5.12  0.25  0.35  
assign ( segi 2DNA and resi 11 and name  H5# ) ( segi 2DNA and resi 11 and name   H6 )   2.91  0.51  0.55 
assign ( segi 2DNA and resi 11 and name  H2' ) ( segi 2DNA and resi 11 and name  H1' )   2.81  0.17  0.17 
assign ( segi 2DNA and resi 11 and name  H2' ) ( segi 2DNA and resi 11 and name   H6 )   2.37  0.13  0.13 
assign ( segi 2DNA and resi 11 and name  H1' ) ( segi 2DNA and resi 12 and name  H8 )    3.80  0.16  0.16 
assign ( segi 2DNA and resi 11 and name H2'' ) ( segi 2DNA and resi 12 and name  H8 )    3.10  0.16  0.16 
assign ( segi 2DNA and resi 11 and name  H2' ) ( segi 2DNA and resi 12 and name  H8 )    3.70  0.16  0.16 
assign ( segi 2DNA and resi 12 and name  H4' ) ( segi 2DNA and resi 12 and name  H5' )   2.97  0.31  0.31 
assign ( segi 2DNA and resi 12 and name  H4' ) ( segi 2DNA and resi 12 and name H5'' )   2.24  0.29  0.29 
assign ( segi 2DNA and resi 12 and name  H1' ) ( segi 2DNA and resi 12 and name  H4' )   3.32  0.08  0.08 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 12 and name  H1' )   4.18  0.43  0.44 
assign ( segi 2DNA and resi 12 and name  H2' ) ( segi 2DNA and resi 12 and name  H4' )   3.69  0.19  0.19 
assign ( segi 2DNA and resi 12 and name  H2' ) ( segi 2DNA and resi 12 and name  H1' )   2.81  0.10  0.10 
assign ( segi 2DNA and resi 12 and name  H2' ) ( segi 2DNA and resi 12 and name H5'' )   3.85  0.42  0.42 
assign ( segi 2DNA and resi 12 and name  H2' ) ( segi 2DNA and resi 12 and name  H5' )   3.75  0.56  0.56 
assign ( segi 2DNA and resi 12 and name H2'' ) ( segi 2DNA and resi 12 and name   H8 )   3.44  0.10  0.10 
assign ( segi 2DNA and resi 12 and name  H3' ) ( segi 2DNA and resi 12 and name  H5' )   3.75  0.38  0.38 
assign ( segi 2DNA and resi 12 and name  H3' ) ( segi 2DNA and resi 12 and name H5'' )   2.56  0.04  0.04 
assign ( segi 2DNA and resi 12 and name  H3' ) ( segi 2DNA and resi 12 and name  H4' )   2.51  0.07  0.07 
assign ( segi 2DNA and resi 12 and name  H3' ) ( segi 2DNA and resi 12 and name   H8 )   4.22  0.24  0.34 
assign ( segi 2DNA and resi 12 and name  H3' ) ( segi 2DNA and resi 12 and name H2'' )   2.58  0.03  0.03 
assign ( segi 2DNA and resi 13 and name H5'' ) ( segi 2DNA and resi 12 and name  H1' )   4.31  0.56  0.56 
assign ( segi 2DNA and resi 13 and name  H1' ) ( segi 2DNA and resi 13 and name  H5' )   4.66  0.15  0.16 
assign ( segi 2DNA and resi 13 and name  H1' ) ( segi 2DNA and resi 13 and name  H4' )   3.07  0.09  0.09 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 12 and name  H1' )   3.95  0.24  0.24 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 12 and name H2'' )   3.60  0.28  0.28 
assign ( segi 2DNA and resi 13 and name  H2' ) ( segi 2DNA and resi 13 and name  H1' )   3.32  0.35  0.35 
assign ( segi 2DNA and resi 13 and name  H2' ) ( segi 2DNA and resi 13 and name   H8 )   2.41  0.05  0.05 
assign ( segi 2DNA and resi 13 and name  H2' ) ( segi 2DNA and resi 13 and name  H5' )   3.75  0.49  0.49 
assign ( segi 2DNA and resi 13 and name H2'' ) ( segi 2DNA and resi 13 and name  H1' )   2.37  0.08  0.08 
assign ( segi 2DNA and resi 13 and name H2'' ) ( segi 2DNA and resi 13 and name   H8 )   3.60  0.17  0.17 
assign ( segi 2DNA and resi 13 and name  H3' ) ( segi 2DNA and resi 13 and name  H1' )   4.23  0.95  0.95 
assign ( segi 2DNA and resi 13 and name  H3' ) ( segi 2DNA and resi 13 and name  H2' )   2.62  0.08  0.08 
assign ( segi 2DNA and resi 13 and name  H3' ) ( segi 2DNA and resi 13 and name H2'' )   2.45  0.08  0.08 
assign ( segi 2DNA and resi 14 and name  H4' ) ( segi 2DNA and resi 14 and name  H5' )   2.39  0.03  0.03 
assign ( segi 2DNA and resi 14 and name  H1' ) ( segi 2DNA and resi 13 and name  H1' )   4.32  0.26  0.26 
assign ( segi 2DNA and resi 14 and name  H1' ) ( segi 2DNA and resi 14 and name  H5' )   4.61  0.29  0.29 
assign ( segi 2DNA and resi 14 and name  H1' ) ( segi 2DNA and resi 14 and name H5'' )   4.91  0.29  0.29 
assign ( segi 2DNA and resi 14 and name  H6 ) ( segi 2DNA and resi 14 and name  H5' )    4.31  0.29  0.29 
assign ( segi 2DNA and resi 14 and name  H6 ) ( segi 2DNA and resi 14 and name H5'' )    4.71  0.29  0.29 
assign ( segi 2DNA and resi 14 and name  H1' ) ( segi 2DNA and resi 14 and name  H4' )   3.20  0.10  0.10 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 13 and name  H1' )   3.50  0.16  0.16 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 13 and name   H8 )   4.20  0.43  0.43 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 13 and name  H2' )   3.92  0.43  0.43 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 13 and name H2'' )   2.89  0.08  0.08 
assign ( segi 2DNA and resi 14 and name  H2' ) ( segi 2DNA and resi 14 and name  H5' )   4.45  0.20  0.20 
assign ( segi 2DNA and resi 14 and name  H2' ) ( segi 2DNA and resi 14 and name  H1' )   3.06  0.51  0.51 
assign ( segi 2DNA and resi 14 and name  H2' ) ( segi 2DNA and resi 14 and name   H8 )   2.39  0.17  0.17 
assign ( segi 2DNA and resi 14 and name H2'' ) ( segi 2DNA and resi 14 and name  H1' )   2.31  0.10  0.10 
assign ( segi 2DNA and resi 14 and name H2'' ) ( segi 2DNA and resi 14 and name   H8 )   3.12  0.15  0.15 
assign ( segi 2DNA and resi 14 and name H2'' ) ( segi 2DNA and resi 14 and name  H2' )   2.17  0.21  0.21 
assign ( segi 2DNA and resi 14 and name  H3' ) ( segi 2DNA and resi 14 and name H5'' )   2.60  0.13  0.13 
assign ( segi 2DNA and resi 14 and name  H3' ) ( segi 2DNA and resi 14 and name  H4' )   3.43  0.33  0.33 
assign ( segi 2DNA and resi 15 and name  H5' ) ( segi 2DNA and resi 14 and name  H1' )   2.94  0.12  0.12 
assign ( segi 2DNA and resi 15 and name  H1' ) ( segi 2DNA and resi 15 and name  H5' )   4.33  0.23  0.23 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 14 and name  H1' )   3.77  0.25  0.25 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 14 and name  H2' )   3.32  0.23  0.22 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 14 and name H2'' )   2.94  0.14  0.14 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 14 and name   H8 )   3.78  0.16  0.16 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 14 and name  H2' )   3.34  0.09  0.09 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 14 and name H2'' )   3.35  0.17  0.17 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 14 and name  H3' )   4.62  0.25  0.25 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 15 and name   H6 )   2.93  0.08  0.08 
assign ( segi 2DNA and resi 15 and name  H2' ) ( segi 2DNA and resi 15 and name   H6 )   2.80  0.13  0.13 
assign ( segi 2DNA and resi 15 and name H2'' ) ( segi 2DNA and resi 15 and name  H1' )   2.42  0.08  0.08 
assign ( segi 2DNA and resi 15 and name H2'' ) ( segi 2DNA and resi 15 and name   H6 )   4.19  0.04  0.04 
assign ( segi 2DNA and resi 15 and name H2'' ) ( segi 2DNA and resi 15 and name  H2' )   2.07  0.20  0.20 
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name  H2' )   2.64  0.13  0.13 
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name H2'' )   3.21  0.11  0.11 
assign ( segi 2DNA and resi 16 and name  H5' ) ( segi 2DNA and resi 15 and name  H1' )   3.10  0.17  0.17 
assign ( segi 2DNA and resi 16 and name H5'' ) ( segi 2DNA and resi 15 and name  H1' )   3.67  0.43  0.43 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 15 and name  H1' )   3.52  0.34  0.34 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 15 and name   H6 )   4.48  0.47  0.47 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 15 and name  H2' )   3.17  0.10  0.10 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 15 and name H2'' )   2.88  0.12  0.12 
assign ( segi 2DNA and resi 16 and name   H5 ) ( segi 2DNA and resi 15 and name   H6 )   4.09  0.23  0.23 
assign ( segi 2DNA and resi 16 and name   H5 ) ( segi 2DNA and resi 15 and name  H5# )   4.47  0.25  0.25 
assign ( segi 2DNA and resi 16 and name   H5 ) ( segi 2DNA and resi 15 and name  H2' )   3.23  0.25  0.26 
assign ( segi 2DNA and resi 16 and name   H5 ) ( segi 2DNA and resi 15 and name H2'' )   3.45  0.25  0.25 
assign ( segi 2DNA and resi 16 and name  H2' ) ( segi 2DNA and resi 16 and name H5'' )   4.23  0.19  0.19 
assign ( segi 2DNA and resi 16 and name  H2' ) ( segi 2DNA and resi 16 and name  H1' )   2.58  0.24  0.24 
assign ( segi 2DNA and resi 16 and name H2'' ) ( segi 2DNA and resi 16 and name   H6 )   2.74  0.09  0.09 
assign ( segi 2DNA and resi 16 and name  H2' ) ( segi 2DNA and resi 16 and name   H5 )   3.76  0.47  0.47 
assign ( segi 2DNA and resi 16 and name  H1' ) ( segi 1DNA and resi  5 and name  H2A )   4.61  0.35  0.35 
assign ( segi 2DNA and resi 16 and name H2'' ) ( segi 2DNA and resi 16 and name H5'' )   5.00  0.18  0.19 
assign ( segi 2DNA and resi 16 and name H2'' ) ( segi 2DNA and resi 16 and name   H6 )   3.32  0.24  0.24 
assign ( segi 2DNA and resi 16 and name H2'' ) ( segi 2DNA and resi 16 and name   H5 )   5.17  0.16  0.16 
assign ( segi 2DNA and resi 17 and name  H4' ) ( segi 2DNA and resi 17 and name  H5' )   2.70  0.03  0.03 
assign ( segi 2DNA and resi 17 and name  H1' ) ( segi 2DNA and resi 17 and name  H5' )   4.25  0.60  0.60 
assign ( segi 2DNA and resi 17 and name  H1' ) ( segi 2DNA and resi 17 and name  H4' )   3.13  0.10  0.10 
assign ( segi 2DNA and resi 17 and name   H2 ) ( segi 1DNA and resi  5 and name  H5# )   4.29  0.14  0.14 
assign ( segi 2DNA and resi 17 and name  H2' ) ( segi 2DNA and resi 17 and name   H8 )   2.38  0.25  0.25 
assign ( segi 2DNA and resi 17 and name H2'' ) ( segi 2DNA and resi 17 and name H5'' )   3.37  1.13  1.13 
assign ( segi 2DNA and resi 17 and name H2'' ) ( segi 2DNA and resi 17 and name   H8 )   3.43  0.18  0.18 
assign ( segi 2DNA and resi 17 and name  H3' ) ( segi 2DNA and resi 17 and name  H5' )   3.13  0.45  0.45 
assign ( segi 2DNA and resi 17 and name  H3' ) ( segi 2DNA and resi 17 and name  H4' )   2.73  0.08  0.08 
assign ( segi 2DNA and resi 17 and name  H3' ) ( segi 2DNA and resi 17 and name  H2' )   2.27  0.15  0.15 
assign ( segi 2DNA and resi 18 and name  H1' ) ( segi 2DNA and resi 18 and name  H4' )   3.02  0.08  0.08 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 17 and name  H1' )   3.34  0.25  0.25 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 17 and name  H2' )   3.90  0.08  0.08 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 17 and name H2'' )   3.31  0.26  0.26 
assign ( segi 2DNA and resi 18 and name  H5# ) ( segi 2DNA and resi 17 and name   H8 )   4.08  0.15  0.15 
assign ( segi 2DNA and resi 18 and name  H5# ) ( segi 2DNA and resi 17 and name  H2' )   3.96  0.11  0.11 
assign ( segi 2DNA and resi 18 and name  H5# ) ( segi 2DNA and resi 18 and name   H6 )   3.10  0.08  0.08 
assign ( segi 2DNA and resi 18 and name  H2' ) ( segi 2DNA and resi 18 and name  H5' )   4.11  0.26  0.26 
assign ( segi 2DNA and resi 18 and name  H2' ) ( segi 2DNA and resi 18 and name  H1' )   3.35  0.67  0.67 
assign ( segi 2DNA and resi 18 and name  H2' ) ( segi 2DNA and resi 18 and name   H6 )   2.53  0.15  0.15 
assign ( segi 2DNA and resi 18 and name  H2' ) ( segi 2DNA and resi 18 and name  H5# )   4.51  0.80  0.80 
assign ( segi 2DNA and resi 18 and name H2'' ) ( segi 2DNA and resi 18 and name  H5' )   5.00  0.25  0.25 
assign ( segi 2DNA and resi 18 and name H2'' ) ( segi 2DNA and resi 18 and name  H1' )   2.64  0.04  0.04 
assign ( segi 2DNA and resi 18 and name H2'' ) ( segi 2DNA and resi 18 and name   H6 )   3.07  0.49  0.49 
assign ( segi 2DNA and resi 18 and name H2'' ) ( segi 2DNA and resi 18 and name  H5# )   5.48  0.75  0.75 
assign ( segi 2DNA and resi 18 and name H2'' ) ( segi 2DNA and resi 18 and name  H2' )   2.10  0.18  0.18 
assign ( segi 2DNA and resi 18 and name  H3' ) ( segi 2DNA and resi 18 and name  H2' )   2.71  0.19  0.20 
assign ( segi 2DNA and resi 19 and name  H4' ) ( segi 2DNA and resi 19 and name  H5' )   2.38  0.14  0.14 
assign ( segi 2DNA and resi 19 and name  H1' ) ( segi 2DNA and resi 19 and name  H5' )   4.71  0.33  0.33 
assign ( segi 2DNA and resi 19 and name  H1' ) ( segi 2DNA and resi 19 and name  H4' )   3.04  0.07  0.07 
assign ( segi 2DNA and resi 19 and name   H8 ) ( segi 2DNA and resi 18 and name H2'' )   3.34  0.03  0.03 
assign ( segi 2DNA and resi 19 and name  H2' ) ( segi 2DNA and resi 19 and name  H1' )   2.70  0.22  0.22 
assign ( segi 2DNA and resi 19 and name  H2' ) ( segi 2DNA and resi 19 and name   H8 )   2.33  0.10  0.10 
assign ( segi 2DNA and resi 19 and name H2'' ) ( segi 2DNA and resi 19 and name   H8 )   3.13  0.23  0.23 
assign ( segi 2DNA and resi 19 and name  H3' ) ( segi 2DNA and resi 19 and name H5'' )   2.44  0.12  0.12 
assign ( segi 2DNA and resi 19 and name  H3' ) ( segi 2DNA and resi 19 and name  H4' )   2.51  0.06  0.06 
assign ( segi 2DNA and resi 19 and name  H3' ) ( segi 2DNA and resi 19 and name   H8 )   4.27  0.37  0.37 
assign ( segi 2DNA and resi 20 and name  H1' ) ( segi 2DNA and resi 20 and name  H4' )   3.07  0.16  0.16 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 19 and name  H1' )   3.95  0.35  0.45 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 20 and name  H4' )   4.75  0.81  0.81 
assign ( segi 2DNA and resi 20 and name  H2' ) ( segi 2DNA and resi 20 and name  H1' )   2.34  0.12  0.12 
assign ( segi 2DNA and resi 20 and name H2'' ) ( segi 2DNA and resi 20 and name  H1' )   2.77  0.32  0.32 
assign ( segi 2DNA and resi 20 and name H2'' ) ( segi 2DNA and resi 20 and name   H8 )   3.15  0.15  0.15 
assign ( segi 2DNA and resi 20 and name H2' ) ( segi 2DNA and resi 20 and name   H8 )    2.35  0.15  0.15 
assign ( segi 2DNA and resi 20 and name H2'' ) ( segi 2DNA and resi 20 and name  H2' )   1.87  0.16  0.17 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name H5'' )   2.70  0.31  0.30 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name  H5' )   3.41  0.20  0.20 
assign ( segi 2DNA and resi 20 and name  H1' ) ( segi 2DNA and resi 20 and name  H5' )   4.55  0.20  0.20 
assign ( segi 2DNA and resi 20 and name  H1' ) ( segi 2DNA and resi 20 and name H5'' )   4.95  0.20  0.20 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 20 and name  H5' )   3.95  0.28  0.28 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 20 and name H5'' )   4.53  0.28  0.28 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name  H4' )   2.89  0.21  0.21 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name  H2' )   2.66  0.25  0.15 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name H2'' )   2.46  0.20  0.10 
assign ( segi 2DNA and resi 20 and name  H2' ) ( segi 2DNA and resi 20 and name  H5' )   4.11  0.26  0.26 
assign ( segi 2DNA and resi 20 and name H2'' ) ( segi 2DNA and resi 20 and name  H5' )   5.00  0.25  0.25 
assign ( segi 1DNA and resi  5 and name   H1 ) ( segi 2DNA and resi  15 and name   H3 )   4.15  0.45  0.45 
assign ( segi 1DNA and resi  7 and name   H3 ) ( segi 2DNA and resi  15 and name   H3 )   4.15  0.45  0.45 
assign ( segi 1DNA and resi  7 and name   H3 ) ( segi 1DNA and resi   8 and name   H3 )   4.15  0.45  0.45 
assign ( segi 1DNA and resi  2 and name   H3 ) ( segi 2DNA and resi  18 and name   H3 )   4.15  0.45  0.45 
assign ( segi 1DNA and resi  4 and name   H3 ) ( segi 2DNA and resi  18 and name   H3 )   4.15  0.45  0.45 
assign ( segi 1DNA and resi  8 and name   H3 ) ( segi 2DNA and resi  12 and name   H1 )   4.15  0.45  0.45 
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  6 and name  H2' )   3.98  0.08  0.08 
assign ( segi 2DNA and resi 17 and name  H3' ) ( segi 2DNA and resi 17 and name H2'' )   2.33  0.08  0.08 
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  4 and name  H1' )   2.62  0.10  0.10 
assign ( segi 1DNA and resi  5 and name  H2' ) ( segi 1DNA and resi  5 and name H5'' )   4.01  0.40  0.40 
assign ( segi 2DNA and resi 12 and name H2'' ) ( segi 2DNA and resi 12 and name  H1' )   2.10  0.13  0.13 
assign ( segi 1DNA and resi  4 and name  H5# ) ( segi 1DNA and resi  3 and name  H2' )   3.82  0.22  0.22 
assign ( segi 2DNA and resi 17 and name  H4' ) ( segi 2DNA and resi 17 and name H5'' )   2.68  0.08  0.08 
assign ( segi 2DNA and resi 17 and name  H2' ) ( segi 2DNA and resi 17 and name  H1' )   2.93  0.48  0.48 
assign ( segi 2DNA and resi 19 and name H2'' ) ( segi 2DNA and resi 19 and name H5'' )   4.90  0.51  0.51 
assign ( segi 1DNA and resi  1 and name  H4' ) ( segi 1DNA and resi  1 and name  H5' )   2.64  0.20  0.20 
assign ( segi 2DNA and resi 14 and name H2'' ) ( segi 2DNA and resi 14 and name  H4' )   3.42  0.18  0.18 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 14 and name  H3' )   4.80  0.75  0.75 
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name  H5' )   3.55  0.14  0.14 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 14 and name  H1' )   3.81  0.40  0.40 
assign ( segi 1DNA and resi  9 and name   H5 ) ( segi 1DNA and resi  8 and name   H6 )   3.95  0.08  0.08 
assign ( segi 1DNA and resi  3 and name  H2' ) ( segi 1DNA and resi  3 and name   H8 )   2.59  0.17  0.17 
assign ( segi 2DNA and resi 19 and name H2'' ) ( segi 2DNA and resi 19 and name  H4' )   3.48  0.38  0.38   
assign ( segi 2DNA and resi 13 and name H2'' ) ( segi 2DNA and resi 13 and name  H2' )   1.95  0.13  0.13 
assign ( segi 2DNA and resi 19 and name  H1' ) ( segi 2DNA and resi 19 and name H5'' )   4.73  0.25  0.26 
assign ( segi 2DNA and resi 16 and name H2'' ) ( segi 2DNA and resi 16 and name  H1' )   2.38  0.11  0.11 
assign ( segi 2DNA and resi 18 and name  H2' ) ( segi 2DNA and resi 17 and name H2'' )   3.33  0.62  0.62 
assign ( segi 2DNA and resi 19 and name   H8 ) ( segi 2DNA and resi 18 and name H2'' )   2.75  0.56  0.56 
assign ( segi 1DNA and resi  4 and name  H1' ) ( segi 1DNA and resi  3 and name  H2'')   5.01  0.32  0.32 
assign ( segi 1DNA and resi  4 and name H2'' ) ( segi 1DNA and resi  4 and name  H5# )   5.16  0.61  0.61 
assign ( segi 1DNA and resi  2 and name  H2' ) ( segi 1DNA and resi  2 and name H5'' )   3.79  0.38  0.38 
assign ( segi 2DNA and resi 14 and name H2'' ) ( segi 2DNA and resi 14 and name  H5' )   5.11  0.25  0.25 
assign ( segi 2DNA and resi 19 and name  H2' ) ( segi 2DNA and resi 19 and name  H4' )   3.98  0.93  0.93 
assign ( segi 2DNA and resi 18 and name  H3' ) ( segi 2DNA and resi 18 and name H2'' )   3.90  0.81  0.81 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  4 and name H2'' )   2.93  0.22  0.22 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name   H6 )   4.37  0.44  0.44 
assign ( segi 1DNA and resi  6 and name  H2' ) ( segi 1DNA and resi  6 and name  H4' )   3.06  0.29  0.29 
assign ( segi 1DNA and resi  4 and name H2'' ) ( segi 1DNA and resi  4 and name  H1' )   2.59  0.06  0.06 
assign ( segi 2DNA and resi 17 and name H5'' ) ( segi 2DNA and resi 16 and name  H1' )   5.02  0.19  0.19 
assign ( segi 1DNA and resi  5 and name  H3' ) ( segi 1DNA and resi  5 and name  H5' )   3.55  0.22  0.22 
assign ( segi 2DNA and resi 15 and name  H2' ) ( segi 2DNA and resi 15 and name  H1' )   3.09  0.20  0.20 
assign ( segi 1DNA and resi  7 and name  H3' ) ( segi 1DNA and resi  7 and name  H1' )   4.05  0.76  0.76 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  2 and name H2'' )   2.98  0.17  0.17 
assign ( segi 2DNA and resi 16 and name  H2' ) ( segi 2DNA and resi 16 and name  H5' )   4.28  0.14  0.14 
assign ( segi 1DNA and resi  5 and name  H8A ) ( segi 1DNA and resi  4 and name  H1' )   5.10  0.12  0.11 
assign ( segi 1DNA and resi  2 and name  H2' ) ( segi 1DNA and resi  2 and name   H6 )   2.25  0.14  0.14 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 19 and name  H2' )   4.59  0.22  0.22 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  6 and name H2'' )   2.84  0.15  0.15 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  4 and name H5'' )   4.51  0.12  0.12 
assign ( segi 2DNA and resi 14 and name  H3' ) ( segi 2DNA and resi 14 and name  H1' )   3.79  0.57  0.57 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 16 and name  H1' )   4.13  0.48  0.48 
assign ( segi 1DNA and resi  8 and name  H2' ) ( segi 1DNA and resi  8 and name   H6 )   2.08  0.13  0.13 
assign ( segi 1DNA and resi 10 and name H2'' ) ( segi 1DNA and resi 10 and name  H1' )   2.30  0.32  0.32 
assign ( segi 1DNA and resi  8 and name  H5# ) ( segi 1DNA and resi  7 and name  H2' )   3.66  0.24  0.24 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name   H8 )   4.25  0.41  0.41 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  7 and name  H1' )   3.24  0.69  0.69 
assign ( segi 2DNA and resi 18 and name  H5# ) ( segi 2DNA and resi 17 and name H2'' )   3.53  0.15  0.15 
assign ( segi 1DNA and resi  5 and name  H3' ) ( segi 1DNA and resi  5 and name H5'' )   2.23  0.10  0.11 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name H2'' )   2.79  0.16  0.16 
assign ( segi 2DNA and resi 16 and name  H2' ) ( segi 2DNA and resi 15 and name  H1' )   4.42  0.18  0.18 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 19 and name   H8 )   4.23  0.21  0.21 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name H2'' )   2.15  0.12  0.12 
assign ( segi 2DNA and resi 12 and name  H2' ) ( segi 2DNA and resi 12 and name  H5' )   3.82  0.50  0.50 
assign ( segi 2DNA and resi 12 and name  H2' ) ( segi 2DNA and resi 12 and name   H8 )   2.42  0.15  0.15 
assign ( segi 1DNA and resi  5 and name  H2B ) ( segi 1DNA and resi  5 and name  H3A )   2.86  0.37  0.37 
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name H2'' )   3.40  0.58  0.58 
assign ( segi 1DNA and resi  4 and name H2'' ) ( segi 1DNA and resi  4 and name  H2' )   2.10  0.13  0.13 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 14 and name  H5' )   3.93  0.15  0.15 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name H2'' )   2.38  0.33  0.33 
assign ( segi 1DNA and resi 10 and name H2'' ) ( segi 1DNA and resi 10 and name  H2' )   1.98  0.19  0.19 
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name   H6 )   3.91  0.54  0.54 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 18 and name  H1' )   3.92  0.23  0.23 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 15 and name  H1' )   4.04  0.42  0.42 
assign ( segi 1DNA and resi  6 and name  H2' ) ( segi 1DNA and resi  6 and name  H1' )   2.33  0.28  0.28 
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  6 and name H2'' )   3.48  0.15  0.15 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  3 and name  H1' )   3.81  0.54  0.54 
assign ( segi 1DNA and resi  5 and name  H3' ) ( segi 1DNA and resi  5 and name  H2' )   2.52  0.20  0.20 
assign ( segi 1DNA and resi  3 and name  H2' ) ( segi 1DNA and resi  3 and name  H5' )   2.83  0.63  0.63 
assign ( segi 2DNA and resi 19 and name  H2' ) ( segi 2DNA and resi 19 and name H5'' )   3.84  0.53  0.53 
assign ( segi 1DNA and resi  5 and name H2'' ) ( segi 1DNA and resi  5 and name  H5' )   3.98  0.37  0.37 
assign ( segi 2DNA and resi 17 and name  H2' ) ( segi 2DNA and resi 17 and name  H4' )   4.06  0.75  0.76 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  6 and name  H3' )   4.87  1.04  1.04 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  5 and name  H2' )   4.16  0.54  0.54 
assign ( segi 2DNA and resi 13 and name  H1' ) ( segi 2DNA and resi 12 and name  H1' )   4.96  0.70  0.70 
assign ( segi 1DNA and resi  6 and name  H3' ) ( segi 1DNA and resi  6 and name H2'' )   2.37  0.12  0.13 
assign ( segi 2DNA and resi 15 and name  H1' ) ( segi 2DNA and resi 15 and name  H4' )   4.36  0.72  0.72 
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  2 and name  H1' )   4.08  0.66  0.66 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name  H2' )   4.17  0.25  0.25 
assign ( segi 1DNA and resi  6 and name H2'' ) ( segi 1DNA and resi  6 and name   H8 )   3.10  1.05  1.05 
assign ( segi 2DNA and resi 20 and name  H2' ) ( segi 2DNA and resi 20 and name   H8 )   2.32  0.53  0.53 
assign ( segi 1DNA and resi  1 and name   H6 ) ( segi 1DNA and resi  1 and name  H1' )   3.61  0.12  0.12 
assign ( segi 1DNA and resi  5 and name   H9 ) ( segi 1DNA and resi  4 and name  H5# )   5.31  0.61  0.61 
assign ( segi 1DNA and resi  9 and name  H2' ) ( segi 1DNA and resi  9 and name  H1' )   2.42  0.22  0.22 
assign ( segi 1DNA and resi  5 and name  H5# ) ( segi 1DNA and resi  5 and name  H5B )   4.06  0.55  1.24 
assign ( segi 1DNA and resi  5 and name  H2' ) ( segi 1DNA and resi  5 and name  H5' )   3.57  0.93  0.93 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  7 and name   H6 )   4.11  0.53  0.52 
assign ( segi 2DNA and resi 19 and name   H8 ) ( segi 2DNA and resi 18 and name  H1' )   3.69  0.17  0.17 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi 10 and name  H1' )   3.50  0.29  0.29 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  7 and name  H5' )   4.65  0.70  0.70 
assign ( segi 2DNA and resi 14 and name  H2' ) ( segi 2DNA and resi 14 and name  H4' )   4.00  0.88  0.88 
assign ( segi 1DNA and resi  5 and name   H9 ) ( segi 1DNA and resi  5 and name   H8 )   3.75  0.51  0.51 
assign ( segi 1DNA and resi  4 and name  H3' ) ( segi 1DNA and resi  4 and name  H1' )   4.84  0.98  0.98 
assign ( segi 2DNA and resi 12 and name H2'' ) ( segi 2DNA and resi 12 and name  H4' )   4.20  2.41  2.42 
assign ( segi 2DNA and resi 17 and name H2'' ) ( segi 2DNA and resi 17 and name  H1' )   1.99  0.11  0.11 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 13 and name  H1' )   4.42  0.72  0.72 
assign ( segi 2DNA and resi 14 and name   H8 ) ( segi 2DNA and resi 14 and name  H4' )   5.14  0.84  0.84 
assign ( segi 2DNA and resi 12 and name  H3' ) ( segi 2DNA and resi 12 and name  H1' )   4.07  0.35  0.35 
assign ( segi 2DNA and resi 19 and name   H8 ) ( segi 2DNA and resi 19 and name  H1' )   3.92  0.19  0.19 
assign ( segi 1DNA and resi  6 and name  H5' ) ( segi 1DNA and resi  5 and name  H3' )   4.39  0.17  0.17 
assign ( segi 2DNA and resi 12 and name  H5' ) ( segi 2DNA and resi 11 and name  H1' )   3.29  0.26  0.26   
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name   H6 )   3.89  0.64  0.64 
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name  H5' )   3.02  0.29  0.29 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 17 and name   H8 )   5.02  0.79  0.79 
assign ( segi 1DNA and resi  5 and name H2'' ) ( segi 1DNA and resi  5 and name  H2' )   2.01  0.15  0.15 
assign ( segi 2DNA and resi 19 and name  H3' ) ( segi 2DNA and resi 19 and name  H1' )   3.90  0.43  0.43 
assign ( segi 2DNA and resi 19 and name H2'' ) ( segi 2DNA and resi 19 and name  H2' )   1.82  0.21  0.21 
assign ( segi 2DNA and resi 19 and name  H3' ) ( segi 2DNA and resi 19 and name  H5' )   3.57  0.17  0.17 
assign ( segi 1DNA and resi  5 and name  H9A ) ( segi 1DNA and resi  5 and name   H9 )   3.76  0.68  0.67 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  7 and name H5'' )   4.85  0.50  0.50 
assign ( segi 1DNA and resi  5 and name  H9A ) ( segi 1DNA and resi  5 and name  H8A )   4.68  0.74  0.74 
assign ( segi 1DNA and resi  1 and name H2'' ) ( segi 1DNA and resi  1 and name   H5 )   4.73  0.83  0.83 
assign ( segi 2DNA and resi 20 and name  H3' ) ( segi 2DNA and resi 20 and name  H1' )   4.03  0.38  0.38 
assign ( segi 1DNA and resi  1 and name H2'' ) ( segi 1DNA and resi  1 and name  H5' )   4.37  0.68  0.69 
assign ( segi 2DNA and resi 14 and name  H3' ) ( segi 2DNA and resi 14 and name   H8 )   4.53  0.84  0.84 
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  1 and name  H3' )   4.54  0.73  0.73 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  8 and name H5'' )   3.89  0.66  0.66 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  3 and name   H8 )   4.48  0.75  0.75 
assign ( segi 1DNA and resi  3 and name  H3' ) ( segi 1DNA and resi  3 and name  H2' )   2.15  0.18  0.18 
assign ( segi 1DNA and resi 10 and name  H2' ) ( segi 1DNA and resi 10 and name   H8 )   2.33  0.46  0.46 
assign ( segi 1DNA and resi  7 and name H2'' ) ( segi 1DNA and resi  7 and name  H1' )   2.06  0.09  0.09 
assign ( segi 1DNA and resi  1 and name  H3' ) ( segi 1DNA and resi  1 and name  H1' )   3.89  0.58  0.58 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 14 and name  H1' )   5.44  0.94  0.94 
assign ( segi 2DNA and resi 11 and name  H3' ) ( segi 2DNA and resi 11 and name   H6 )   4.06  0.41  0.41 
assign ( segi 2DNA and resi 16 and name H2'' ) ( segi 2DNA and resi 16 and name  H2' )   2.02  0.19  0.19 
assign ( segi 1DNA and resi  5 and name H2'' ) ( segi 1DNA and resi  5 and name H5'' )   4.13  0.61  0.61 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 20 and name  H1' )   3.84  0.44  0.44 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 18 and name  H4' )   4.78  0.15  0.15 
assign ( segi 2DNA and resi 16 and name   H5 ) ( segi 2DNA and resi 15 and name  H1' )   4.90  0.46  0.46 
assign ( segi 2DNA and resi 19 and name  H1' ) ( segi 2DNA and resi 18 and name  H1' )   5.52  0.21  0.21 
assign ( segi 1DNA and resi  8 and name  H3' ) ( segi 1DNA and resi  8 and name  H5' )   3.73  0.31  0.31 
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  6 and name  H3' )   5.54  0.67  0.67 
assign ( segi 1DNA and resi  9 and name  H2' ) ( segi 1DNA and resi  9 and name   H6 )   2.24  0.13  0.13 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 15 and name  H4' )   4.29  0.48  0.49 
assign ( segi 1DNA and resi  8 and name  H3' ) ( segi 1DNA and resi  8 and name H5'' )   2.82  0.49  0.49 
assign ( segi 1DNA and resi  6 and name  H1' ) ( segi 1DNA and resi  6 and name  H5' )   3.58  0.80  0.80 
assign ( segi 1DNA and resi  2 and name H2'' ) ( segi 1DNA and resi  2 and name  H2' )   2.09  0.29  0.29 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  8 and name  H4' )   3.92  0.31  0.31 
assign ( segi 1DNA and resi  7 and name  H2' ) ( segi 1DNA and resi  7 and name  H5# )   4.83  0.71  0.71 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  3 and name  H1' )   4.00  0.41  0.41 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  7 and name H2'' )   2.69  0.56  0.56 
assign ( segi 2DNA and resi 18 and name  H3' ) ( segi 2DNA and resi 18 and name  H5' )   3.04  0.11  0.11 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  9 and name H5'' )   4.01  0.23  0.22 
assign ( segi 1DNA and resi  3 and name  H3' ) ( segi 1DNA and resi  3 and name   H8 )   3.84  0.51  0.51   
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  6 and name  H1' )   4.55  1.04  1.04 
assign ( segi 2DNA and resi 17 and name  H3' ) ( segi 2DNA and resi 17 and name   H8 )   4.35  0.46  0.46 
assign ( segi 2DNA and resi 11 and name   H6 ) ( segi 2DNA and resi 11 and name  H4' )   3.72  0.42  0.42 
assign ( segi 2DNA and resi 15 and name  H2' ) ( segi 2DNA and resi 15 and name  H5# )   5.29  0.76  0.76 
assign ( segi 1DNA and resi  5 and name  H9A ) ( segi 1DNA and resi  5 and name   H8 )   4.68  0.25  0.26 
assign ( segi 2DNA and resi 13 and name  H2' ) ( segi 2DNA and resi 13 and name H5'' )   3.50  0.76  0.76 
assign ( segi 2DNA and resi 18 and name  H5# ) ( segi 2DNA and resi 17 and name  H1' )   4.93  0.64  0.64 
assign ( segi 2DNA and resi 12 and name H2'' ) ( segi 2DNA and resi 12 and name  H2' )   1.97  0.22  0.21 
assign ( segi 1DNA and resi  4 and name  H2' ) ( segi 1DNA and resi  3 and name H2'' )   3.41  0.67  0.67 
assign ( segi 1DNA and resi  7 and name H2'' ) ( segi 1DNA and resi  7 and name  H2' )   2.13  0.14  0.14 
assign ( segi 2DNA and resi 17 and name  H2' ) ( segi 2DNA and resi 17 and name H5'' )   3.36  0.93  0.93 
assign ( segi 2DNA and resi 17 and name   H8 ) ( segi 2DNA and resi 17 and name  H1' )   3.71  0.41  0.41 
assign ( segi 1DNA and resi  4 and name H2'' ) ( segi 1DNA and resi  4 and name  H2' )   2.10  0.30  0.30 
assign ( segi 2DNA and resi 17 and name  H3' ) ( segi 2DNA and resi 17 and name  H1' )   4.13  0.71  0.71 
assign ( segi 2DNA and resi 15 and name  H2' ) ( segi 2DNA and resi 15 and name H5'' )   4.00  0.31  0.31 
assign ( segi 1DNA and resi  6 and name H2'' ) ( segi 1DNA and resi  6 and name  H1' )   2.04  0.15  0.15 
assign ( segi 2DNA and resi 18 and name  H3' ) ( segi 2DNA and resi 18 and name H5'' )   2.94  0.34  0.34 
assign ( segi 1DNA and resi  7 and name  H1' ) ( segi 1DNA and resi  6 and name  H1' )   4.61  0.50  0.50 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 12 and name H5'' )   4.72  0.33  0.33 
assign ( segi 2DNA and resi 13 and name  H4' ) ( segi 2DNA and resi 12 and name  H1' )   4.71  0.93  0.93 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 14 and name   H8 )   4.94  0.62  0.62 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 15 and name  H5' )   3.40  0.33  0.33 
assign ( segi 1DNA and resi  9 and name H2'' ) ( segi 1DNA and resi  9 and name  H2' )   2.00  0.15  0.15 
assign ( segi 1DNA and resi  6 and name  H2' ) ( segi 1DNA and resi  6 and name H5'' )   3.33  0.51  0.51 
assign ( segi 1DNA and resi  8 and name H2'' ) ( segi 1DNA and resi  8 and name  H5# )   5.06  0.92  0.92 
assign ( segi 2DNA and resi 13 and name  H3' ) ( segi 2DNA and resi 12 and name  H1' )   4.63  0.72  0.72 
assign ( segi 2DNA and resi 16 and name  H3' ) ( segi 2DNA and resi 16 and name   H6 )   4.09  0.53  0.53 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 15 and name  H3' )   4.36  0.57  0.57 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name  H1' )   3.75  0.53  0.53 
assign ( segi 1DNA and resi  9 and name  H3' ) ( segi 1DNA and resi  9 and name   H6 )   4.06  0.38  0.38 
assign ( segi 1DNA and resi  5 and name  H1' ) ( segi 1DNA and resi  4 and name  H1' )   5.25  0.63  0.63 
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name  H1' )   4.20  0.46  0.46 
assign ( segi 1DNA and resi  8 and name H5'' ) ( segi 1DNA and resi  7 and name  H5# )   6.25  3.05  3.05 
assign ( segi 1DNA and resi  3 and name  H3' ) ( segi 1DNA and resi  3 and name  H1' )   4.04  0.55  0.55 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 12 and name  H4' )   5.03  0.54  0.54 
assign ( segi 2DNA and resi 11 and name   H6 ) ( segi 2DNA and resi 11 and name  H5' )   3.35  0.29  0.28 
assign ( segi 2DNA and resi 18 and name  H3' ) ( segi 2DNA and resi 18 and name   H6 )   4.21  0.54  0.54 
assign ( segi 1DNA and resi  1 and name  H2' ) ( segi 1DNA and resi  1 and name  H5' )   4.09  0.41  0.41 
assign ( segi 1DNA and resi  5 and name  H6A ) ( segi 1DNA and resi  5 and name   H8 )   4.64  0.50  0.50 
assign ( segi 2DNA and resi 12 and name  H1' ) ( segi 2DNA and resi 12 and name  H5' )   4.07  0.56  0.56 
assign ( segi 2DNA and resi 15 and name  H5# ) ( segi 2DNA and resi 15 and name H5'' )   5.25  0.30  0.30 
assign ( segi 2DNA and resi 18 and name  H1' ) ( segi 2DNA and resi 18 and name H5'' )   3.95  0.52  0.52 
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  2 and name  H4' )   4.29  0.78  0.78 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 16 and name H5'' )   4.96  0.31  0.31 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 17 and name  H3' )   5.77  2.56  2.56 
assign ( segi 1DNA and resi  1 and name H2'' ) ( segi 1DNA and resi  1 and name   H6 )   3.30  0.32  0.32 
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name H5'' )   3.14  0.86  0.86 
assign ( segi 2DNA and resi 17 and name  H2' ) ( segi 2DNA and resi 17 and name  H5' )   3.85  0.49  0.49 
assign ( segi 1DNA and resi  1 and name   H6 ) ( segi 1DNA and resi  1 and name  H4' )   4.63  0.43  0.43 
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  1 and name  H1' )   4.48  0.28  0.28 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 11 and name   H6 )   4.42  0.34  0.34 
assign ( segi 1DNA and resi  1 and name  H1' ) ( segi 1DNA and resi  1 and name  H5' )   3.84  0.57  0.57 
assign ( segi 1DNA and resi  1 and name H5'' ) ( segi 1DNA and resi  1 and name  H5' )   1.99  0.25  0.25 
assign ( segi 1DNA and resi  2 and name  H2' ) ( segi 1DNA and resi  2 and name  H5' )   4.23  0.56  0.56 
assign ( segi 1DNA and resi  8 and name  H3' ) ( segi 1DNA and resi  8 and name   H6 )   3.78  0.37  0.37 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  6 and name   H8 )   5.20  0.27  0.27 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  3 and name  H3' )   4.84  0.84  0.84 
assign ( segi 1DNA and resi  1 and name  H1' ) ( segi 1DNA and resi  1 and name H5'' )   4.07  0.37  0.37 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 16 and name  H4' )   5.34  0.33  0.33 
assign ( segi 1DNA and resi  4 and name  H5# ) ( segi 1DNA and resi  3 and name  H1' )   5.01  0.45  0.45 
assign ( segi 1DNA and resi 10 and name  H3' ) ( segi 1DNA and resi 10 and name  H1' )   3.89  0.40  0.40 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi 10 and name  H5' )   3.91  0.35  0.35 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 12 and name   H8 )   5.28  0.34  0.34 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 13 and name  H4' )   4.98  0.51  0.51 
assign ( segi 1DNA and resi  2 and name  H5# ) ( segi 1DNA and resi  1 and name H2'' )   4.03  0.85  0.85 
assign ( segi 2DNA and resi 19 and name  H5' ) ( segi 2DNA and resi 18 and name  H1' )   3.16  0.34  0.34 
assign ( segi 1DNA and resi 10 and name  H1' ) ( segi 1DNA and resi 10 and name  H5' )   4.45  0.55  0.55 
assign ( segi 1DNA and resi  5 and name  H3' ) ( segi 1DNA and resi  5 and name  H1' )   3.92  0.60  0.60 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 20 and name H5'' )   4.64  0.46  0.46 
assign ( segi 2DNA and resi 17 and name  H2' ) ( segi 2DNA and resi 17 and name  H5' )   3.68  0.61  0.61 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi  9 and name  H3' )   5.20  0.57  0.37 
assign ( segi 2DNA and resi 12 and name  H1' ) ( segi 2DNA and resi 12 and name H5'' )   4.14  0.27  0.27 
assign ( segi 1DNA and resi  6 and name  H3' ) ( segi 1DNA and resi  6 and name  H1' )   3.64  0.22  0.23 
assign ( segi 2DNA and resi 15 and name   H6 ) ( segi 2DNA and resi 14 and name  H4' )   6.02  0.44  0.44 
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  2 and name H5'' )   4.76  0.57  0.57 
assign ( segi 1DNA and resi  1 and name   H6 ) ( segi 1DNA and resi  1 and name H5'' )   4.73  0.39  0.39 
assign ( segi 1DNA and resi  2 and name   H6 ) ( segi 1DNA and resi  2 and name  H5' )   3.58  0.73  0.72 
assign ( segi 1DNA and resi  5 and name  H5' ) ( segi 1DNA and resi  4 and name  H1' )   3.53  0.00  0.00 
assign ( segi 2DNA and resi 11 and name   H6 ) ( segi 2DNA and resi 11 and name  H5' )   3.78  0.63  0.63 
assign ( segi 1DNA and resi  2 and name  H3' ) ( segi 1DNA and resi  2 and name  H1' )   3.88  0.00  0.00 
assign ( segi 1DNA and resi  1 and name  H2' ) ( segi 1DNA and resi  1 and name H5'' )   3.85   0.17  0.17 
assign ( segi 2DNA and resi 17 and name   H8 ) ( segi 2DNA and resi 17 and name  H5' )   3.17  0.52  0.52  
assign ( segi 1DNA and resi  1 and name   H6 ) ( segi 1DNA and resi  1 and name  H5' )   4.28  0.42  0.42 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  6 and name  H1' )   3.80  0.33  0.33 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  3 and name H5'' )   3.56  0.53  0.53 
assign ( segi 2DNA and resi 16 and name  H1' ) ( segi 1DNA and resi  5 and name  H2A )   3.61  0.35  0.35 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 12 and name  H5' )   4.56  0.37  0.37 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  3 and name  H4' )   5.39  0.55  0.55 
assign ( segi 2DNA and resi 15 and name  H3' ) ( segi 2DNA and resi 15 and name  H5# )   6.43  0.74  0.74 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  6 and name  H4' )   4.82  0.43  0.43 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name   H6 )   4.51  0.79  0.79 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 11 and name  H2' )   3.72  0.40  0.40 
assign ( segi 2DNA and resi 16 and name  H1' ) ( segi 1DNA and resi  5 and name  H2B )   2.75  0.50  0.50 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  6 and name  H5' )   3.68  0.25  0.25 
assign ( segi 2DNA and resi 17 and name  H5' ) ( segi 2DNA and resi 16 and name  H1' )   2.65  0.00  0.00 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 18 and name  H5' )   4.08  0.59  0.59 
assign ( segi 1DNA and resi  5 and name  H5# ) ( segi 1DNA and resi  5 and name  H1' )   5.76  0.80  0.80 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  9 and name  H4' )   4.67  0.33  0.33 
assign ( segi 2DNA and resi 19 and name   H8 ) ( segi 2DNA and resi 19 and name  H4' )   5.01  0.20  0.20 
assign ( segi 2DNA and resi 16 and name  H3' ) ( segi 2DNA and resi 16 and name  H1' )   3.91  0.20  0.20 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  9 and name  H5' )   3.89  0.30  0.00 
assign ( segi 2DNA and resi 17 and name   H8 ) ( segi 2DNA and resi 17 and name H5'' )   3.82  0.79  0.79 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 12 and name  H3' )   5.10  0.00  0.00 
assign ( segi 2DNA and resi 19 and name   H8 ) ( segi 2DNA and resi 19 and name H5'' )   5.11  0.30  0.30 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  6 and name H5'' )   5.71  1.55  1.55 
assign ( segi 1DNA and resi  7 and name   H6 ) ( segi 1DNA and resi  6 and name  H4' )   6.54  1.23  1.23 
assign ( segi 2DNA and resi 11 and name  H3' ) ( segi 2DNA and resi 11 and name  H1' )   3.90  0.00  0.00 
assign ( segi 1DNA and resi  9 and name   H6 ) ( segi 1DNA and resi  8 and name  H5# )   7.05  1.88  1.88 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 13 and name  H5' )   4.38  0.00  0.00 
assign ( segi 1DNA and resi  5 and name  H3' ) ( segi 1DNA and resi  4 and name  H1' )   6.50  0.58  0.58 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  4 and name  H5' )   4.37  0.00  0.00 
assign ( segi 1DNA and resi  3 and name   H8 ) ( segi 1DNA and resi  3 and name  H5' )   4.21  0.11  0.11 
assign ( segi 2DNA and resi 17 and name   H8 ) ( segi 2DNA and resi 17 and name  H4' )   5.90  1.36  1.36 
assign ( segi 2DNA and resi 13 and name   H8 ) ( segi 2DNA and resi 12 and name  H4' )   7.27  1.18  1.18 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 11 and name  H1' )   3.68  0.00  0.00 
assign ( segi 1DNA and resi 10 and name   H8 ) ( segi 1DNA and resi 10 and name H5'' )   4.75  0.53  0.53 
assign ( segi 1DNA and resi  8 and name  H5# ) ( segi 1DNA and resi  8 and name  H1' )   6.71  0.84  0.84 
assign ( segi 1DNA and resi  4 and name   H6 ) ( segi 1DNA and resi  4 and name  H4' )   4.90  0.00  0.00 
assign ( segi 2DNA and resi 18 and name   H6 ) ( segi 2DNA and resi 18 and name H5'' )   4.09  0.87  0.87 
assign ( segi 1DNA and resi  5 and name   H8 ) ( segi 1DNA and resi  4 and name  H5# )   6.04  0.27  0.27 
assign ( segi 2DNA and resi 20 and name   H8 ) ( segi 2DNA and resi 19 and name  H4' )   7.16  1.73  1.73 
assign ( segi 2DNA and resi 12 and name   H8 ) ( segi 2DNA and resi 11 and name  H5# )   5.39  0.95  0.95 
assign ( segi 1DNA and resi  7 and name  H5# ) ( segi 1DNA and resi  7 and name  H1' )   6.42  0.54  0.54 
assign ( segi 2DNA and resi 16 and name   H6 ) ( segi 2DNA and resi 15 and name  H5# )   7.44  1.01  1.01 
assign ( segi 1DNA and resi  8 and name   H6 ) ( segi 1DNA and resi  7 and name  H5# )   6.74  0.00  0.00 
assign ( segi 1DNA and resi  6 and name   H8 ) ( segi 1DNA and resi  5 and name  H5# )   7.53  2.71  2.71 


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1          1H5*        C   1   6.311  20.768   5.161
    2   2H5*    C   1          2H5*        C   1   6.942  19.440   6.150
    3    H4*    C   1           H4*        C   1   4.438  20.029   6.535
    4    H3*    C   1           H3*        C   1   5.693  17.630   6.577
    5   1H2*    C   1          1H2*        C   1   5.320  17.052   4.385
    6   2H2*    C   1          2H2*        C   1   3.857  16.314   5.093
    7    H1*    C   1           H1*        C   1   2.537  18.119   4.493
    8   1H4     C   1          1H4         C   1   4.605  17.511  -1.798
    9   2H4     C   1          2H4         C   1   2.891  17.858  -1.869
   10    H5     C   1           H5         C   1   5.853  17.440   0.255
   11    H6     C   1           H6         C   1   5.711  17.596   2.698
   12    H5T    C   1           H5T        C   1   5.954  19.196   3.495
   13   1H5*    T   2          1H5*        T   2   0.932  17.709   6.502
   14   2H5*    T   2          2H5*        T   2   0.666  16.973   8.081
   15    H4*    T   2           H4*        T   2  -1.347  16.650   6.800
   16    H3*    T   2           H3*        T   2   0.019  14.583   7.888
   17   1H2*    T   2          1H2*        T   2   1.261  14.002   6.061
   18   2H2*    T   2          2H2*        T   2  -0.122  12.919   5.855
   19    H1*    T   2           H1*        T   2  -1.099  14.271   4.273
   20    H3     T   2           H3         T   2   0.911  15.053   0.299
   21   1H5M    T   2          1H5M        T   2   4.379  12.703   3.384
   22   2H5M    T   2          2H5M        T   2   4.883  14.383   3.687
   23   3H5M    T   2          3H5M        T   2   4.991  13.704   2.044
   24    H6     T   2           H6         T   2   2.537  14.050   4.695
   25   1H5*    A   3          1H5*        A   3  -4.007  14.071   5.813
   26   2H5*    A   3          2H5*        A   3  -5.069  13.227   6.937
   27    H4*    A   3           H4*        A   3  -6.077  13.126   4.731
   28    H3*    A   3           H3*        A   3  -5.577  10.932   6.205
   29   1H2*    A   3          1H2*        A   3  -3.552  10.443   5.371
   30   2H2*    A   3          2H2*        A   3  -4.541   9.477   4.279
   31    H1*    A   3           H1*        A   3  -4.398  10.971   2.541
   32    H8     A   3           H8         A   3  -1.599  10.635   5.077
   33   1H6     A   3          1H6         A   3   2.185  11.228   2.176
   34   2H6     A   3          2H6         A   3   2.351  11.703   0.501
   35    H2     A   3           H2         A   3  -1.804  12.471  -1.042
   36   1H5*    T   4          1H5*        T   4  -6.639  10.028   1.339
   37   2H5*    T   4          2H5*        T   4  -8.094   9.280   1.960
   38    H4*    T   4           H4*        T   4  -7.625   8.328  -0.158
   39    H3*    T   4           H3*        T   4  -7.809   6.759   2.106
   40   1H2*    T   4          1H2*        T   4  -5.595   6.136   2.515
   41   2H2*    T   4          2H2*        T   4  -5.925   5.004   1.188
   42    H1*    T   4           H1*        T   4  -4.583   6.153  -0.203
   43    H3     T   4           H3         T   4  -0.540   7.862   0.627
   44   1H5M    T   4          1H5M        T   4  -1.270   7.297   5.171
   45   2H5M    T   4          2H5M        T   4  -2.624   6.147   5.064
   46   3H5M    T   4          3H5M        T   4  -2.945   7.875   5.343
   47    H6     T   4           H6         T   4  -4.478   7.314   3.321
   48    H1   FAG   5           H1         F   5   0.148   0.867  -1.333
   49    H5B  FAG   5           H5B        F   5  -2.094   4.078  -1.524
   50   1H3   FAG   5          1H3         F   5   2.740   4.424  -1.203
   51   2H3   FAG   5          2H3         F   5   2.613   2.649  -1.392
   52   1H2A  FAG   5          1H2A        F   5   4.928   4.136  -0.299
   53   2H2A  FAG   5          2H2A        F   5   4.740   2.350  -0.547
   54   1H5*  FAG   5          1H5*        F   5  -6.478   4.344  -1.331
   55   2H5*  FAG   5          2H5*        F   5  -8.172   4.418  -1.866
   56    H4*  FAG   5           H4*        F   5  -7.466   2.855  -3.345
   57    H1*  FAG   5           H1*        F   5  -5.488   0.168  -2.109
   58    HN9  FAG   5           HN9        F   5  -4.992   1.168   0.525
   59   1HN2  FAG   5          1H2         F   5  -1.623   1.957  -4.113
   60   2HN2  FAG   5          2H2         F   5  -0.082   1.475  -3.438
   61    H8   FAG   5           H8         F   5  -4.729  -0.320   2.170
   62   1H2*  FAG   5          1H2*        F   5  -7.161   1.271   0.113
   63   2H2*  FAG   5          2H2*        F   5  -7.345  -0.239  -0.783
   64    H3*  FAG   5           H3*        F   5  -8.889   1.869  -1.284
   65    H8A  FAG   5           H8A        F   5  -4.269   1.264   3.204
   66    H9   FAG   5           H9         F   5  -1.711   1.950   3.822
   67    HO9  FAG   5           HO9        F   5  -2.774   3.540   5.271
   68    H9A  FAG   5           H9A        F   5  -2.201   4.511   3.243
   69    H6A  FAG   5           H6A        F   5  -3.976   4.877   2.374
   70   1HM   FAG   5          1HM         F   5   0.557   3.858  -3.945
   71   2HM   FAG   5          2HM         F   5   0.025   5.360  -3.158
   72   3HM   FAG   5          3HM         F   5  -1.029   3.930  -3.145
   73   1H5*    A   6          1H5*        A   6  -6.267   0.206  -4.613
   74   2H5*    A   6          2H5*        A   6  -7.721  -0.517  -5.349
   75    H4*    A   6           H4*        A   6  -5.674  -1.143  -6.653
   76    H3*    A   6           H3*        A   6  -7.501  -2.941  -5.821
   77   1H2*    A   6          1H2*        A   6  -6.459  -3.564  -3.891
   78   2H2*    A   6          2H2*        A   6  -5.772  -4.766  -4.962
   79    H1*    A   6           H1*        A   6  -3.788  -3.624  -5.083
   80    H8     A   6           H8         A   6  -5.956  -2.920  -1.989
   81   1H6     A   6          1H6         A   6  -0.778  -3.423   1.301
   82   2H6     A   6          2H6         A   6  -2.517  -3.259   1.374
   83    H2     A   6           H2         A   6   0.335  -3.525  -3.053
   84   1H5*    T   7          1H5*        T   7  -3.214  -3.270  -7.130
   85   2H5*    T   7          2H5*        T   7  -3.452  -4.183  -8.632
   86    H4*    T   7           H4*        T   7  -1.066  -4.151  -8.055
   87    H3*    T   7           H3*        T   7  -2.513  -6.376  -8.738
   88   1H2*    T   7          1H2*        T   7  -3.000  -7.142  -6.625
   89   2H2*    T   7          2H2*        T   7  -1.473  -8.031  -6.888
   90    H1*    T   7           H1*        T   7  -0.196  -6.526  -5.725
   91    H3     T   7           H3         T   7  -0.660  -7.350  -1.390
   92   1H5M    T   7          1H5M        T   7  -5.536  -5.951  -2.728
   93   2H5M    T   7          2H5M        T   7  -5.242  -7.195  -1.491
   94   3H5M    T   7          3H5M        T   7  -5.538  -7.673  -3.178
   95    H6     T   7           H6         T   7  -3.820  -6.315  -4.847
   96   1H5*    T   8          1H5*        T   8   1.625  -6.560  -6.177
   97   2H5*    T   8          2H5*        T   8   2.314  -6.912  -7.767
   98    H4*    T   8           H4*        T   8   3.954  -7.635  -6.242
   99    H3*    T   8           H3*        T   8   2.847  -9.455  -7.932
  100   1H2*    T   8          1H2*        T   8   1.269 -10.358  -6.489
  101   2H2*    T   8          2H2*        T   8   2.633 -11.454  -6.141
  102    H1*    T   8           H1*        T   8   3.175 -10.368  -4.182
  103    H3     T   8           H3         T   8   0.138 -10.934  -0.956
  104   1H5M    T   8          1H5M        T   8  -2.684 -10.671  -5.308
  105   2H5M    T   8          2H5M        T   8  -2.647  -8.930  -4.942
  106   3H5M    T   8          3H5M        T   8  -3.396 -10.065  -3.794
  107    H6     T   8           H6         T   8  -0.183  -9.589  -5.547
  108   1H5*    C   9          1H5*        C   9   5.711 -10.837  -4.572
  109   2H5*    C   9          2H5*        C   9   7.043 -11.441  -5.574
  110    H4*    C   9           H4*        C   9   7.379 -12.405  -3.412
  111    H3*    C   9           H3*        C   9   7.079 -14.012  -5.590
  112   1H2*    C   9          1H2*        C   9   4.822 -14.399  -5.411
  113   2H2*    C   9          2H2*        C   9   5.397 -15.794  -4.480
  114    H1*    C   9           H1*        C   9   4.975 -14.799  -2.469
  115   1H4     C   9          1H4         C   9  -1.270 -13.370  -4.155
  116   2H4     C   9          2H4         C   9  -1.290 -13.835  -2.468
  117    H5     C   9           H5         C   9   0.751 -13.252  -5.463
  118    H6     C   9           H6         C   9   3.182 -13.416  -5.408
  119   1H5*    A  10          1H5*        A  10   6.526 -16.286  -1.177
  120   2H5*    A  10          2H5*        A  10   8.079 -17.097  -1.463
  121    H4*    A  10           H4*        A  10   6.957 -18.604  -0.040
  122    H3*    A  10           H3*        A  10   7.492 -19.469  -2.564
  123   1H2*    A  10          1H2*        A  10   5.459 -18.929  -3.546
  124   2H2*    A  10          2H2*        A  10   5.111 -20.612  -3.051
  125    H1*    A  10           H1*        A  10   3.914 -19.961  -1.183
  126    H8     A  10           H8         A  10   3.843 -17.910  -4.343
  127   1H6     A  10          1H6         A  10  -0.629 -16.149  -4.022
  128   2H6     A  10          2H6         A  10  -1.803 -16.089  -2.727
  129    H2     A  10           H2         A  10   0.066 -18.117   0.819
  130    H3T    A  10           H3T        A  10   5.983 -20.902  -0.600
  131   1H5*    T  11          1H5*        T  11  -7.888 -20.632   2.170
  132   2H5*    T  11          2H5*        T  11  -8.780 -19.839   3.483
  133    H4*    T  11           H4*        T  11  -6.548 -20.615   4.264
  134    H3*    T  11           H3*        T  11  -7.651 -18.178   4.783
  135   1H2*    T  11          1H2*        T  11  -6.692 -16.978   3.055
  136   2H2*    T  11          2H2*        T  11  -5.460 -16.736   4.313
  137    H1*    T  11           H1*        T  11  -4.043 -18.330   3.457
  138    H3     T  11           H3         T  11  -2.119 -16.965  -0.327
  139   1H5M    T  11          1H5M        T  11  -7.111 -15.493  -0.884
  140   2H5M    T  11          2H5M        T  11  -7.194 -17.117  -1.609
  141   3H5M    T  11          3H5M        T  11  -6.137 -15.876  -2.325
  142    H6     T  11           H6         T  11  -6.710 -17.367   1.018
  143    H5T    T  11           H5T        T  11  -8.186 -17.844   2.610
  144   1H5*    G  12          1H5*        G  12  -2.529 -18.548   5.994
  145   2H5*    G  12          2H5*        G  12  -3.063 -18.136   7.626
  146    H4*    G  12           H4*        G  12  -0.852 -17.265   7.447
  147    H3*    G  12           H3*        G  12  -2.937 -15.679   8.124
  148   1H2*    G  12          1H2*        G  12  -3.423 -14.843   6.022
  149   2H2*    G  12          2H2*        G  12  -2.305 -13.585   6.614
  150    H1*    G  12           H1*        G  12  -0.512 -14.451   5.473
  151    H8     G  12           H8         G  12  -3.982 -14.531   4.001
  152    H1     G  12           H1         G  12   0.544 -14.557  -0.468
  153   1H2     G  12          1H2         G  12   2.530 -14.937   0.454
  154   2H2     G  12          2H2         G  12   2.734 -15.188   2.173
  155   1H5*    A  13          1H5*        A  13   1.513 -14.504   7.460
  156   2H5*    A  13          2H5*        A  13   1.835 -13.687   9.001
  157    H4*    A  13           H4*        A  13   3.664 -13.228   7.406
  158    H3*    A  13           H3*        A  13   2.396 -11.348   8.910
  159   1H2*    A  13          1H2*        A  13   0.828 -10.666   7.337
  160   2H2*    A  13          2H2*        A  13   2.141  -9.513   6.989
  161    H1*    A  13           H1*        A  13   2.905 -10.731   5.144
  162    H8     A  13           H8         A  13  -0.817 -10.838   6.075
  163   1H6     A  13          1H6         A  13  -2.025 -10.948   0.069
  164   2H6     A  13          2H6         A  13  -2.706 -10.827   1.675
  165    H2     A  13           H2         A  13   2.424 -11.397   0.588
  166   1H5*    A  14          1H5*        A  14   5.441 -10.679   5.497
  167   2H5*    A  14          2H5*        A  14   6.619  -9.645   6.325
  168    H4*    A  14           H4*        A  14   7.059  -9.545   3.932
  169    H3*    A  14           H3*        A  14   6.650  -7.269   5.496
  170   1H2*    A  14          1H2*        A  14   4.476  -6.797   4.942
  171   2H2*    A  14          2H2*        A  14   5.297  -6.028   3.605
  172    H1*    A  14           H1*        A  14   4.882  -7.636   2.099
  173    H8     A  14           H8         A  14   2.551  -7.639   5.125
  174   1H6     A  14          1H6         A  14  -2.005  -7.421   0.985
  175   2H6     A  14          2H6         A  14  -1.627  -7.444   2.693
  176    H2     A  14           H2         A  14   1.892  -7.789  -1.218
  177   1H5*    T  15          1H5*        T  15   7.231  -6.976   0.850
  178   2H5*    T  15          2H5*        T  15   8.646  -5.950   0.986
  179    H4*    T  15           H4*        T  15   7.787  -6.079  -1.333
  180    H3*    T  15           H3*        T  15   8.687  -3.818  -0.126
  181   1H2*    T  15          1H2*        T  15   6.638  -2.891   0.636
  182   2H2*    T  15          2H2*        T  15   6.633  -2.217  -1.038
  183    H1*    T  15           H1*        T  15   5.145  -3.734  -1.827
  184    H3     T  15           H3         T  15   1.068  -3.215  -0.202
  185   1H5M    T  15          1H5M        T  15   3.623  -4.894   4.008
  186   2H5M    T  15          2H5M        T  15   2.459  -3.561   4.200
  187   3H5M    T  15          3H5M        T  15   4.196  -3.210   4.027
  188    H6     T  15           H6         T  15   5.233  -4.281   1.940
  189   1H5*    C  16          1H5*        C  16   5.709  -2.566  -4.337
  190   2H5*    C  16          2H5*        C  16   7.213  -1.904  -4.988
  191    H4*    C  16           H4*        C  16   5.502  -0.417  -5.744
  192    H3*    C  16           H3*        C  16   7.512   0.604  -4.183
  193   1H2*    C  16          1H2*        C  16   6.421   0.587  -2.106
  194   2H2*    C  16          2H2*        C  16   5.957   2.208  -2.670
  195    H1*    C  16           H1*        C  16   3.883   1.551  -3.357
  196   1H4     C  16          1H4         C  16   2.523  -0.804   2.629
  197   2H4     C  16          2H4         C  16   0.976  -0.534   1.855
  198    H5     C  16           H5         C  16   4.625  -0.560   1.477
  199    H6     C  16           H6         C  16   5.690   0.006  -0.639
  200   1H5*    A  17          1H5*        A  17   4.162   2.873  -6.109
  201   2H5*    A  17          2H5*        A  17   5.254   3.615  -7.315
  202    H4*    A  17           H4*        A  17   2.916   4.432  -7.657
  203    H3*    A  17           H3*        A  17   5.170   5.967  -7.609
  204   1H2*    A  17          1H2*        A  17   5.093   6.623  -5.399
  205   2H2*    A  17          2H2*        A  17   4.185   7.926  -6.163
  206    H1*    A  17           H1*        A  17   2.147   7.078  -5.546
  207    H8     A  17           H8         A  17   5.097   5.792  -3.420
  208   1H6     A  17          1H6         A  17   3.300   6.848   0.971
  209   2H6     A  17          2H6         A  17   1.744   7.443   1.505
  210    H2     A  17           H2         A  17  -0.771   8.058  -2.157
  211   1H5*    T  18          1H5*        T  18   0.690   7.411  -7.102
  212   2H5*    T  18          2H5*        T  18   0.741   7.995  -8.757
  213    H4*    T  18           H4*        T  18  -1.255   8.880  -7.730
  214    H3*    T  18           H3*        T  18   0.578  10.383  -9.025
  215   1H2*    T  18          1H2*        T  18   1.839  11.056  -7.120
  216   2H2*    T  18          2H2*        T  18   0.685  12.443  -7.202
  217    H1*    T  18           H1*        T  18  -0.750  11.476  -5.613
  218    H3     T  18           H3         T  18   0.794  11.831  -1.445
  219   1H5M    T  18          1H5M        T  18   4.947  10.128  -2.474
  220   2H5M    T  18          2H5M        T  18   5.086  10.631  -4.175
  221   3H5M    T  18          3H5M        T  18   4.524   8.991  -3.775
  222    H6     T  18           H6         T  18   2.732  10.087  -5.464
  223   1H5*    A  19          1H5*        A  19  -3.467  11.850  -7.260
  224   2H5*    A  19          2H5*        A  19  -4.160  12.763  -8.617
  225    H4*    A  19           H4*        A  19  -5.388  13.250  -6.509
  226    H3*    A  19           H3*        A  19  -4.582  15.062  -8.326
  227   1H2*    A  19          1H2*        A  19  -2.570  15.602  -7.352
  228   2H2*    A  19          2H2*        A  19  -3.605  16.855  -6.605
  229    H1*    A  19           H1*        A  19  -3.839  15.664  -4.627
  230    H8     A  19           H8         A  19  -0.665  15.333  -6.682
  231   1H6     A  19          1H6         A  19   2.600  15.231  -3.164
  232   2H6     A  19          2H6         A  19   2.483  15.190  -1.420
  233    H2     A  19           H2         A  19  -1.903  15.107  -0.419
  234   1H5*    G  20          1H5*        G  20  -6.195  16.325  -3.872
  235   2H5*    G  20          2H5*        G  20  -7.575  17.156  -4.611
  236    H4*    G  20           H4*        G  20  -7.391  18.043  -2.387
  237    H3*    G  20           H3*        G  20  -7.283  19.716  -4.529
  238   1H2*    G  20          1H2*        G  20  -4.961  19.820  -4.720
  239   2H2*    G  20          2H2*        G  20  -5.247  21.224  -3.686
  240    H1*    G  20           H1*        G  20  -4.618  20.058  -1.803
  241    H8     G  20           H8         G  20  -3.115  19.055  -5.137
  242    H1     G  20           H1         G  20   0.892  18.308  -0.246
  243   1H2     G  20          1H2         G  20  -0.193  18.583   1.677
  244   2H2     G  20          2H2         G  20  -1.902  18.950   1.744
  245    H3T    G  20           H3T        G  20  -6.899  20.474  -1.800
   
  No H/Q in entry =         245