*HEADER    HYBRID DNA/RNA                          18-OCT-95   1DHH      
*TITLE     NMR SOLUTION STRUCTURE OF THE DNA DUPLEX CONTAINING           
*TITLE    2 DNA/RNA HYBRID REGION, D(GG)R(AGAU)D(GAC)/D(GTCATCTCC)       
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: DNA DUPLEX CONTAINING DNA(DOT)RNA HYBRID DUPLEX    
*COMPND   3 AT ITS CENTER;                                               
*COMPND   4 CHAIN: A, B;                                                 
*COMPND   5 SYNONYM: DHD;                                                
*COMPND   6 ENGINEERED: YES;                                             
*COMPND   7 OTHER_DETAILS: CRYSTALLIZATION CONDITIONS\: PH 7.0, 298K,    
*COMPND   8 100MM NACL, 50MM NA PHOSPHATE, 3MM EDTA                      
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 OTHER_DETAILS: A SUBSTRATE OF RNASE H                        
*KEYWDS    DNA/RNA HYBRID IN DNA DUPLEX                                  
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                              
*AUTHOR    T.NISHIZAKI,S.IWAI,T.OHKUBO,C.KOJIMA,H.NAKAMURA,Y.KYOGOKU,    
*AUTHOR   2 E.OHTSUKA                                                    
*REVDAT   1   12-OCT-04 1DHH    0   

(3) NMR restraints

! Sugar-noes           
! H1'-H2'           
 assign (resid  8 and name  H1') (resid  8 and name  H2')  2.9 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name  H2')  2.9 0.3 0.4  

 assign (resid  1 and name  H2') (resid  1 and name  H1')  3.3 0.3 0.4  
 assign (resid  7 and name  H2') (resid  7 and name  H1')  3.1 0.3 0.4  
 assign (resid  8 and name  H2') (resid  8 and name  H1')  3.0 0.3 0.4  
 assign (resid  9 and name  H2') (resid  9 and name  H1')  2.7 0.3 0.4  
 assign (resid 11 and name  H2') (resid 11 and name  H1')  2.9 0.3 0.4  
 assign (resid 12 and name  H2') (resid 12 and name  H1')  2.9 0.3 0.4  
 assign (resid 13 and name  H2') (resid 13 and name  H1')  3.0 0.3 0.4  
 assign (resid 14 and name  H2') (resid 14 and name  H1')  3.0 0.3 0.4  
 assign (resid 17 and name  H2') (resid 17 and name  H1')  2.5 0.3 0.4  
! H1'-H2''           
 assign (resid  1 and name  H1') (resid  1 and name H2'')  2.8 0.3 0.4  
 assign (resid  3 and name  H1') (resid  3 and name H2'')  3.1 0.3 0.4  
 assign (resid  5 and name  H1') (resid  5 and name H2'')  2.6 0.3 0.4  
 assign (resid  7 and name  H1') (resid  7 and name H2'')  2.5 0.3 0.4  
 assign (resid  9 and name  H1') (resid  9 and name H2'')  2.5 0.3 0.4  
 assign (resid 12 and name  H1') (resid 12 and name H2'')  2.5 0.3 0.4  
 assign (resid 13 and name  H1') (resid 13 and name H2'')  2.5 0.3 0.4  
 assign (resid 14 and name  H1') (resid 14 and name H2'')  2.5 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name H2'')  2.5 0.3 0.4  
 assign (resid 17 and name  H1') (resid 17 and name H2'')  2.5 0.3 0.4  

 assign (resid  4 and name H2'') (resid  4 and name  H1')  2.8 0.3 0.4  
 assign (resid  6 and name H2'') (resid  6 and name  H1')  2.6 0.3 0.4  
 assign (resid  8 and name H2'') (resid  8 and name  H1')  2.5 0.3 0.4  
 assign (resid 11 and name H2'') (resid 11 and name  H1')  2.5 0.3 0.4  
 assign (resid 16 and name H2'') (resid 16 and name  H1')  2.5 0.3 0.4  
! inter sugar noe       
 assign (resid  5 and name H2'') (resid  6 and name  H1')  4.0 0.3 0.4  

! H1'-H2'*           
 assign (resid  2 and name  H1') (resid  2 and name H2'*)  2.7 0.3 0.4  
 assign (resid 10 and name  H1') (resid 10 and name H2'*)  2.5 0.3 0.4  
 assign (resid 18 and name  H1') (resid 18 and name H2'*)  2.3 0.3 0.4  
! H1'-H3'           
 assign (resid 12 and name  H1') (resid 12 and name  H3')  3.5 0.3 0.4  

 assign (resid  2 and name  H3') (resid  2 and name  H1')  3.8 0.3 0.4  
 assign (resid  4 and name  H3') (resid  4 and name  H1')  3.6 0.3 0.4  
 assign (resid  6 and name  H3') (resid  6 and name  H1')  3.4 0.3 0.4  
 assign (resid  7 and name  H3') (resid  7 and name  H1')  3.4 0.3 0.4  
 assign (resid  8 and name  H3') (resid  8 and name  H1')  3.6 0.3 0.4  
 assign (resid  9 and name  H3') (resid  9 and name  H1')  3.6 0.3 0.4  
 assign (resid 10 and name  H3') (resid 10 and name  H1')  3.6 0.3 0.4  
 assign (resid 11 and name  H3') (resid 11 and name  H1')  3.6 0.3 0.4  
 assign (resid 13 and name  H3') (resid 13 and name  H1')  3.6 0.3 0.4  
 assign (resid 14 and name  H3') (resid 14 and name  H1')  3.9 0.3 0.4  
 assign (resid 15 and name  H3') (resid 15 and name  H1')  3.6 0.3 0.4  
 assign (resid 16 and name  H3') (resid 16 and name  H1')  3.7 0.3 0.4  
 assign (resid 17 and name  H3') (resid 17 and name  H1')  3.8 0.3 0.4  
 assign (resid 18 and name  H3') (resid 18 and name  H1')  3.8 0.3 0.4  
! H1'-H4'           
 assign (resid  3 and name  H1') (resid  3 and name  H4')  3.7 0.3 0.4  
 assign (resid  5 and name  H1') (resid  5 and name  H4')  4.0 0.3 0.4  
 assign (resid  7 and name  H1') (resid  7 and name  H4')  3.5 0.3 0.4  
 assign (resid 12 and name  H1') (resid 12 and name  H4')  3.0 0.3 0.4  
 assign (resid 13 and name  H1') (resid 13 and name  H4')  3.4 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name  H4')  2.8 0.3 0.4  

 assign (resid  2 and name  H4') (resid  2 and name  H1')  3.5 0.3 0.4  
 assign (resid  4 and name  H4') (resid  4 and name  H1')  3.6 0.3 0.4  
 assign (resid  6 and name  H4') (resid  6 and name  H1')  3.4 0.3 0.4  
 assign (resid  8 and name  H4') (resid  8 and name  H1')  3.4 0.3 0.4  
 assign (resid  9 and name  H4') (resid  9 and name  H1')  3.0 0.3 0.4  
 assign (resid 10 and name  H4') (resid 10 and name  H1')  3.6 0.3 0.4  
 assign (resid 11 and name  H4') (resid 11 and name  H1')  3.3 0.3 0.4  
 assign (resid 16 and name  H4') (resid 16 and name  H1')  3.1 0.3 0.4  
 assign (resid 17 and name  H4') (resid 17 and name  H1')  3.0 0.3 0.4  
 assign (resid 18 and name  H4') (resid 18 and name  H1')  3.2 0.3 0.4  
! H1'-H5           
! intra redidue H6-H1'       

 assign (resid  6 and name  H1') (resid  6 and name   H6)  3.8 0.3 0.4  
 assign (resid  9 and name  H1') (resid  9 and name   H6)  3.6 0.3 0.4  
 assign (resid 11 and name  H1') (resid 11 and name   H6)  3.8 0.3 0.4  
 assign (resid 12 and name  H1') (resid 12 and name   H6)  3.6 0.3 0.4  
 assign (resid 14 and name  H1') (resid 14 and name   H6)  3.7 0.3 0.4  
 assign (resid 18 and name  H1') (resid 18 and name   H6)  3.5 0.3 0.4  
 assign (resid 12 and name   H6) (resid 12 and name  H1')  3.8 0.3 0.4  
 assign (resid 17 and name  H1') (resid 17 and name   H6)  3.4 0.3 0.4  

! inter residue H6-H1'       
 assign (resid  9 and name   H6) (resid  8 and name  H1')  3.4 0.3 0.4  
 assign (resid 11 and name   H6) (resid 10 and name  H1')  3.6 0.3 0.4  
 assign (resid 12 and name   H6) (resid 11 and name  H1')  3.4 0.3 0.4  
 assign (resid 14 and name   H6) (resid 13 and name  H1')  3.7 0.3 0.4  
 assign (resid 15 and name   H6) (resid 14 and name  H1')  3.3 0.3 0.4  
 assign (resid 16 and name   H6) (resid 15 and name  H1')  3.7 0.3 0.4  
 assign (resid 18 and name   H6) (resid 17 and name  H1')  3.7 0.3 0.4  

 assign (resid  5 and name  H1') (resid  6 and name   H6)  3.6 0.3 0.4  

! intra redisue H8-H1'       
 assign (resid  2 and name   H8) (resid  2 and name  H1')  3.3 0.3 0.4  
 assign (resid  4 and name   H8) (resid  4 and name  H1')  3.1 0.3 0.4  
 assign (resid  7 and name   H8) (resid  7 and name  H1')  3.8 0.3 0.4  

 assign (resid  1 and name  H1') (resid  1 and name   H8)  4.0 0.3 0.4  
 assign (resid  3 and name  H1') (resid  3 and name   H8)  4.0 0.3 0.4  
 assign (resid  5 and name  H1') (resid  5 and name   H8)  3.9 0.3 0.4  
 assign (resid  8 and name  H1') (resid  8 and name   H8)  3.6 0.3 0.4  
 assign (resid 10 and name  H1') (resid 10 and name   H8)  3.6 0.3 0.4  
 assign (resid 13 and name  H1') (resid 13 and name   H8)  3.6 0.3 0.4  

! inter residue H1'-H8       
 assign (resid  4 and name   H8) (resid  3 and name  H1')  4.9 0.3 0.4  
 assign (resid  5 and name   H8) (resid  4 and name  H1')  3.8 0.3 0.4  
 assign (resid  7 and name   H8) (resid  6 and name  H1')  4.0 0.3 0.4  
 assign (resid  8 and name   H8) (resid  7 and name  H1')  3.4 0.3 0.4  
 assign (resid 13 and name   H8) (resid 12 and name  H1')  3.4 0.3 0.4  

 assign (resid  1 and name  H1') (resid  2 and name   H8)  3.7 0.3 0.4  
 assign (resid  2 and name  H1') (resid  3 and name   H8)  3.3 0.3 0.4  

! H2'-H3'           
 assign (resid 13 and name  H2') (resid 13 and name  H3')  2.8 0.3 0.4  

 assign (resid  8 and name  H3') (resid  8 and name  H2')  2.7 0.3 0.4  
 assign (resid  9 and name  H3') (resid  9 and name  H2')  2.7 0.3 0.4  
 assign (resid 11 and name  H3') (resid 11 and name  H2')  2.7 0.3 0.4  
 assign (resid 12 and name  H3') (resid 12 and name  H2')  2.7 0.3 0.4  
 assign (resid 14 and name  H3') (resid 14 and name  H2')  2.8 0.3 0.4  
 assign (resid 15 and name  H3') (resid 15 and name  H2')  2.8 0.3 0.4  
 assign (resid 16 and name  H3') (resid 16 and name  H2')  2.7 0.3 0.4  
 assign (resid 17 and name  H3') (resid 17 and name  H2')  2.7 0.3 0.4  

! H4'-H2'           
 assign (resid  7 and name  H4') (resid  7 and name  H2')  3.7 0.3 0.4  
 assign (resid  8 and name  H4') (resid  8 and name  H2')  3.8 0.3 0.4  
 assign (resid  9 and name  H4') (resid  9 and name  H2')  3.8 0.3 0.4  
 assign (resid 11 and name  H4') (resid 11 and name  H2')  3.7 0.3 0.4  
 assign (resid 12 and name  H4') (resid 12 and name  H2')  3.3 0.3 0.4  
 assign (resid 13 and name  H4') (resid 13 and name  H2')  3.6 0.3 0.4  
 assign (resid 14 and name  H4') (resid 14 and name  H2')  3.5 0.3 0.4  
 assign (resid 15 and name  H4') (resid 15 and name  H2')  3.4 0.3 0.4  
 assign (resid 16 and name  H4') (resid 16 and name  H2')  3.3 0.3 0.4  

! H5-H2'           
 assign (resid  9 and name   H5) (resid  8 and name  H2')  3.8 0.3 0.4  
 assign (resid  9 and name   H5) (resid  9 and name  H2')  4.1 0.3 0.4  
 assign (resid 15 and name   H5) (resid 14 and name  H2')  3.8 0.3 0.4  
 assign (resid 15 and name   H5) (resid 15 and name  H2')  4.2 0.3 0.4  
 assign (resid 18 and name   H5) (resid 17 and name  H2')  3.7 0.3 0.4  

 assign (resid 11 and name  H2') (resid 12 and name   H5)  3.4 0.3 0.4  
 assign (resid 16 and name  H2') (resid 17 and name   H5)  3.3 0.3 0.4  

! H2'-H6           
! inter residue         
 assign (resid  9 and name   H6) (resid  9 and name  H2')  2.9 0.3 0.4  
 assign (resid 15 and name   H6) (resid 15 and name  H2')  2.5 0.3 0.4  
 assign (resid 11 and name  H2') (resid 11 and name   H6)  2.7 0.3 0.4  
 assign (resid 14 and name  H2') (resid 14 and name   H6)  2.7 0.3 0.4  

! inter residue H2'-H6       
 assign (resid  9 and name   H6) (resid  8 and name  H2')  3.2 0.3 0.4  
 assign (resid 12 and name   H6) (resid 11 and name  H2')  2.6 0.3 0.4  
 assign (resid 18 and name   H6) (resid 17 and name  H2')  2.7 0.3 0.4  
 assign (resid 13 and name  H2') (resid 14 and name   H6)  3.0 0.3 0.4  
! intra residue H2'-H8       
 assign (resid  2 and name  H2') (resid  2 and name   H8)  3.8 0.3 0.4  
 assign (resid  7 and name  H2') (resid  7 and name   H8)  3.0 0.3 0.4  

! inter residue H2'-H8       
 assign (resid  2 and name   H8) (resid  1 and name  H2')  3.5 0.3 0.4  
 assign (resid  8 and name   H8) (resid  7 and name  H2')  3.3 0.3 0.4  
 assign (resid 13 and name   H8) (resid 12 and name  H2')  3.0 0.3 0.4  

! intra residue H2''-H3'       
 assign (resid  7 and name  H3') (resid  7 and name H2'')  3.3 0.3 0.4  
 assign (resid  8 and name  H3') (resid  8 and name H2'')  3.1 0.3 0.4  
 assign (resid  9 and name  H3') (resid  9 and name H2'')  3.3 0.3 0.4  
 assign (resid 11 and name  H3') (resid 11 and name H2'')  3.0 0.3 0.4  
 assign (resid 13 and name  H3') (resid 13 and name H2'')  3.3 0.3 0.4  
 assign (resid 14 and name  H3') (resid 14 and name H2'')  3.2 0.3 0.4  
 assign (resid 15 and name  H3') (resid 15 and name H2'')  3.2 0.3 0.4  
 assign (resid 16 and name  H3') (resid 16 and name H2'')  2.5 0.3 0.4  


! intra residue H2'*-H3'       

 assign (resid  2 and name H2'*) (resid  2 and name  H3')  2.7 0.3 0.4  
 assign (resid 10 and name H2'*) (resid 10 and name  H3')  2.9 0.3 0.4  
 assign (resid 18 and name H2'*) (resid 18 and name  H3')  2.6 0.3 0.4  

! intra residue H2''-H4'       
 assign (resid 11 and name  H4') (resid 11 and name H2'')  3.3 0.3 0.4  
 assign (resid 17 and name  H4') (resid 17 and name H2'')  3.2 0.3 0.4  

 assign (resid  8 and name H2'') (resid  8 and name  H4')  3.9 0.3 0.4  
 assign (resid  9 and name H2'') (resid  9 and name  H4')  3.6 0.3 0.4  
 assign (resid 13 and name H2'') (resid 13 and name  H4')  3.6 0.3 0.4  
 assign (resid 14 and name H2'') (resid 14 and name  H4')  3.3 0.3 0.4  
 assign (resid 15 and name H2'') (resid 15 and name  H4')  3.3 0.3 0.4  

! intra residue H2'*-H4'       
 assign (resid  2 and name  H4') (resid  2 and name H2'*)  3.2 0.3 0.4  
 assign (resid 10 and name  H4') (resid 10 and name H2'*)  3.0 0.3 0.4  
 assign (resid 18 and name  H4') (resid 18 and name H2'*)  3.2 0.3 0.4  

! inter residue H2''-H5       
 assign (resid  9 and name   H5) (resid  8 and name H2'')  3.8 0.3 0.4  
 assign (resid 12 and name   H5) (resid 11 and name H2'')  3.6 0.3 0.4  
 assign (resid 15 and name   H5) (resid 14 and name H2'')  3.6 0.3 0.4  
 assign (resid 17 and name   H5) (resid 16 and name H2'')  3.8 0.3 0.4  
 assign (resid 18 and name   H5) (resid 17 and name H2'')  3.9 0.3 0.4  
 assign (resid  5 and name H2'') (resid  6 and name   H5)  3.6 0.3 0.4  

! intra residue H2'*-H5       

! intra residue H2''-H6       
 assign (resid  9 and name   H6) (resid  9 and name H2'')  3.8 0.3 0.4  
 assign (resid 17 and name   H6) (resid 17 and name H2'')  3.5 0.3 0.4  

 assign (resid  6 and name H2'') (resid  6 and name   H6)  3.6 0.3 0.4  
 assign (resid  9 and name H2'') (resid  9 and name   H6)  3.7 0.3 0.4  
 assign (resid 11 and name H2'') (resid 11 and name   H6)  3.4 0.3 0.4  
 assign (resid 12 and name H2'') (resid 12 and name   H6)  3.3 0.3 0.4  
 assign (resid 14 and name H2'') (resid 14 and name   H6)  3.2 0.3 0.4  

! inter residue H2''-H6       
 assign (resid 15 and name   H6) (resid 14 and name H2'')  3.1 0.3 0.4  

 assign (resid  5 and name H2'') (resid  6 and name   H6)  2.6 0.3 0.4  
 assign (resid  8 and name H2'') (resid  9 and name   H6)  3.0 0.3 0.4  
 assign (resid 11 and name H2'') (resid 12 and name   H6)  2.9 0.3 0.4  
 assign (resid 13 and name H2'') (resid 14 and name   H6)  3.1 0.3 0.4  
 assign (resid 16 and name H2'') (resid 17 and name   H6)  3.0 0.3 0.4  
 assign (resid 17 and name H2'') (resid 18 and name   H6)  3.2 0.3 0.4  

! intra & inter residue H2'*-H6   
 assign (resid 10 and name H2'*) (resid 11 and name   H6)  2.7 0.3 0.4  

! intra residue H2''-H8       
 assign (resid  3 and name   H8) (resid  3 and name H2'')  3.4 0.3 0.4  
 assign (resid  5 and name H2'') (resid  5 and name   H8)  3.5 0.3 0.4  

! inter residue H2''-H8       
 assign (resid  4 and name   H8) (resid  3 and name H2'')  3.1 0.3 0.4  
 assign (resid  5 and name   H8) (resid  4 and name H2'')  2.6 0.3 0.4  
 assign (resid  7 and name   H8) (resid  6 and name H2'')  2.7 0.3 0.4  
 assign (resid  8 and name   H8) (resid  7 and name H2'')  3.7 0.3 0.4  

! intra residue H2'*-H8       
 assign (resid  2 and name H2'*) (resid  2 and name   H8)  2.7 0.3 0.4  
 assign (resid 10 and name H2'*) (resid 10 and name   H8)  3.1 0.3 0.4  

! inter residue H2'*-H8       
 assign (resid  3 and name   H8) (resid  2 and name H2'*)  3.0 0.3 0.4  

! intra residue H3'-H4'       
 assign (resid  2 and name  H3') (resid  2 and name  H4')  2.9 0.3 0.4  
 assign (resid  9 and name  H3') (resid  9 and name  H4')  2.9 0.3 0.4  
 assign (resid 10 and name  H3') (resid 10 and name  H4')  2.9 0.3 0.4  
 assign (resid 11 and name  H3') (resid 11 and name  H4')  2.8 0.3 0.4  
 assign (resid 15 and name  H3') (resid 15 and name  H4')  2.8 0.3 0.4  
 assign (resid 16 and name  H3') (resid 16 and name  H4')  3.0 0.3 0.4  

 assign (resid  7 and name  H4') (resid  7 and name  H3')  2.9 0.3 0.4  
 assign (resid  8 and name  H4') (resid  8 and name  H3')  2.7 0.3 0.4  
 assign (resid 13 and name  H4') (resid 13 and name  H3')  2.8 0.3 0.4  
 assign (resid 18 and name  H4') (resid 18 and name  H3')  2.6 0.3 0.4  

! intra residue H3'-H6       
 assign (resid  6 and name   H6) (resid  6 and name  H3')  2.8 0.3 0.4  
 assign (resid 15 and name   H6) (resid 15 and name  H3')  4.4 0.3 0.4  

 assign (resid  9 and name  H3') (resid  9 and name   H6)  3.2 0.3 0.4  
 assign (resid 11 and name  H3') (resid 11 and name   H6)  3.4 0.3 0.4  
 assign (resid 12 and name  H3') (resid 12 and name   H6)  3.3 0.3 0.4  
 assign (resid 14 and name  H3') (resid 14 and name   H6)  3.4 0.3 0.4  
 assign (resid 17 and name  H3') (resid 17 and name   H6)  3.4 0.3 0.4  

! inter residue H3'-H6       
 assign (resid 11 and name   H6) (resid 10 and name  H3')  3.9 0.3 0.4  
 assign (resid 18 and name   H6) (resid 17 and name  H3')  3.4 0.3 0.4  
 assign (resid  8 and name  H3') (resid  9 and name   H6)  4.0 0.3 0.4  
 assign (resid 11 and name  H3') (resid 12 and name   H6)  4.0 0.3 0.4  
 assign (resid 13 and name  H3') (resid 14 and name   H6)  4.1 0.3 0.4  
 assign (resid 14 and name  H3') (resid 15 and name   H6)  3.8 0.3 0.4  

! intra residue H3'-H8       
 assign (resid  2 and name   H8) (resid  2 and name  H3')  3.9 0.3 0.4  
 assign (resid  7 and name   H8) (resid  7 and name  H3')  3.7 0.3 0.4  
 assign (resid 10 and name   H8) (resid 10 and name  H3')  4.0 0.3 0.4  

 assign (resid  8 and name  H3') (resid  8 and name   H8)  3.5 0.3 0.4  

! inter residue H3'-H8       
 assign (resid  3 and name   H8) (resid  2 and name  H3')  4.7 0.3 0.4  
 assign (resid  7 and name   H8) (resid  6 and name  H3')  3.1 0.3 0.4  
 assign (resid 13 and name   H8) (resid 12 and name  H3')  3.2 0.3 0.4  
 assign (resid  4 and name  H3') (resid  5 and name   H8)  3.1 0.3 0.4  
 assign (resid  6 and name  H3') (resid  7 and name   H8)  2.9 0.3 0.4  

! intra residue H6-H4'       
 assign (resid  6 and name   H6) (resid  6 and name  H4')  4.1 0.3 0.4  
 assign (resid 11 and name   H6) (resid 11 and name  H4')  4.3 0.3 0.4  

 assign (resid  9 and name  H4') (resid  9 and name   H6)  4.4 0.3 0.4  
 assign (resid 12 and name  H4') (resid 12 and name   H6)  3.8 0.3 0.4  
 assign (resid 14 and name  H4') (resid 14 and name   H6)  4.1 0.3 0.4  

! intra residue H8-H4'       
 assign (resid 10 and name   H8) (resid 10 and name  H4')  4.4 0.3 0.4  

 assign (resid  8 and name  H4') (resid  8 and name   H8)  4.4 0.3 0.4  
 assign (resid 13 and name  H4') (resid 13 and name   H8)  4.5 0.3 0.4  

! inter residue H8-H6       
 assign (resid  6 and name   H5) (resid  5 and name   H8)  4.0 0.3 0.4  
 assign (resid  9 and name   H5) (resid  8 and name   H8)  3.5 0.3 0.4  


! inter residue H5-H6       

 assign (resid 11 and name   H6) (resid 12 and name   H5)  4.1 0.3 0.4  
 assign (resid 14 and name   H6) (resid 15 and name   H5)  3.9 0.3 0.4  
 assign (resid 16 and name   H6) (resid 17 and name   H5)  3.7 0.3 0.4  
 assign (resid 17 and name   H6) (resid 18 and name   H5)  4.0 0.3 0.4  

! inter residue H5-H5#       
 assign (resid 12 and name   H5) (resid 11 and name  H5#)  3.9 0.3 0.4  

 assign (resid 16 and name  H5#) (resid 15 and name   H5)  3.4 0.3 0.4  
 assign (resid 14 and name  H5#) (resid 15 and name   H5)  4.1 0.3 0.4  
 assign (resid 16 and name  H5#) (resid 17 and name   H5)  4.2 0.3 0.4  

! inter residue H6-H5#       
 assign (resid 15 and name   H6) (resid 16 and name  H5#)  3.1 0.3 0.4  

! inter residue H8-H5#       

 assign (resid 11 and name  H5#) (resid 10 and name   H8)  3.5 0.3 0.4  
 assign (resid 14 and name  H5#) (resid 13 and name   H8)  3.2 0.3 0.4  

! inter residue H1'-H5#       

! inter residue H2'-H5#       
 assign (resid 13 and name  H2') (resid 14 and name  H5#)  3.3 0.3 0.4  
 assign (resid 15 and name  H2') (resid 16 and name  H5#)  3.1 0.3 0.4  

! inter residue H2''-H5#       
 assign (resid 13 and name H2'') (resid 14 and name  H5#)  3.9 0.3 0.4  
 assign (resid 15 and name H2'') (resid 16 and name  H5#)  3.5 0.3 0.4  

! inter residue H2'*-H5#       
 assign (resid 10 and name H2'*) (resid 11 and name  H5#)  3.2 0.3 0.4  

! inter residue H3'-H5#       
 assign (resid 10 and name  H3') (resid 11 and name  H5#)  3.2 0.3 0.4  

 assign (resid 14 and name  H5#) (resid 13 and name  H3')  3.7 0.3 0.4  
 assign (resid 16 and name  H5#) (resid 15 and name  H3')  3.7 0.3 0.4  

  Entry H atom name         Submitted Coord H atom name