*HEADER   DNA/RNA DUPLEX                          29-MAR-96   1NAO    
*TITLE    SOLUTION STRUCTURE OF AN RNA 2'-O-METHYLATED RNA DUPLEX     
*TITLE   2 CONTAINING AN RNA/DNA HYBRID SEGMENT AT THE CENTER,        
*TITLE   3 NMR, MINIMIZED AVERAGE STRUCTURE                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: RNA (5'-R(GGAGAUGAC)-3') DUPLEX WITH             
*COMPND  3 DNA (5'-D(OMG-OMU-OMC-ATCT-OMC-OMC)-3');                   
*COMPND  4 CHAIN: A, B;                                               
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 OTHER_DETAILS: A SUBSTRATE OF RNASE H                      
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   DNA/RNA DUPLEX                                              
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   T.NISHIZAKI,S.IWAI,E.OHTSUKA,H.NAKAMURA                     
*REVDAT  1   27-JAN-97 1NAO    0                                      


(3) NMR restraints (2menmr.tbl)


set message=off end     
set echo=off end     

 assign (resid 12 and name   H5) (resid 11 and name   H5)  3.5 0.3 0.4  

 assign (resid 12 and name   H5) (resid 11 and name   H6)  3.7 0.3 0.4  
 assign (resid 18 and name   H5) (resid 17 and name   H6)  4.5 0.3 0.4  


 assign (resid  9 and name   H5) (resid  8 and name   H8)  4.0 0.3 0.4  
 assign (resid  6 and name   H5) (resid  5 and name   H8)  3.9 0.3 0.4  


 assign (resid 14 and name  H2') (resid 15 and name   H5)  3.7 0.3 0.4  

 assign (resid 12 and name   H5) (resid 11 and name  H3')  3.4 0.3 0.4  
 assign (resid  6 and name   H5) (resid  5 and name  H3')  3.6 0.3 0.4  
 assign (resid 11 and name   H5) (resid 10 and name  H3')  4.2 0.3 0.4  

 assign (resid 17 and name  H3') (resid 18 and name   H5)  3.6 0.3 0.4  


 assign (resid 16 and name  H5#) (resid 15 and name   H5)  3.5 0.3 0.4  
 assign (resid 14 and name  H5#) (resid 15 and name   H5)  3.9 0.3 0.4  
 assign (resid 16 and name  H5#) (resid 17 and name   H5)  4.4 0.3 0.4  

 assign (resid  6 and name   H5) (resid  5 and name H2'')  3.5 0.3 0.4  
 assign (resid 15 and name   H5) (resid 14 and name H2'')  3.7 0.3 0.4  

 assign (resid  8 and name H2'') (resid  9 and name   H5)  4.0 0.3 0.4  
 assign (resid 10 and name H2'') (resid 11 and name   H5)  3.0 0.3 0.4  
 assign (resid 11 and name H2'') (resid 12 and name   H5)  3.6 0.3 0.4  
 assign (resid 17 and name H2'') (resid 18 and name   H5)  4.0 0.3 0.4  


 assign (resid 16 and name H2'*) (resid 17 and name   H5)  3.4 0.3 0.4  


! Intra residue H6-H1'       
 assign (resid 14 and name   H6) (resid 14 and name  H1')  3.4 0.3 0.4  
 assign (resid 18 and name   H6) (resid 18 and name  H1')  3.2 0.3 0.4  
 assign (resid 16 and name   H6) (resid 16 and name  H1')  3.6 0.3 0.4  
 assign (resid  9 and name   H6) (resid  9 and name  H1')  3.8 0.3 0.4  
 assign (resid 15 and name   H6) (resid 15 and name  H1')  3.7 0.3 0.4  
 assign (resid 18 and name   H6) (resid 18 and name  H1')  3.9 0.3 0.4  
 assign (resid 12 and name   H6) (resid 12 and name  H1')  3.9 0.3 0.4  

 assign (resid  6 and name  H1') (resid  6 and name   H6)  3.6 0.3 0.4  
 assign (resid 11 and name  H1') (resid 11 and name   H6)  3.5 0.3 0.4  
 assign (resid 17 and name  H1') (resid 17 and name   H6)  3.6 0.3 0.4  

! Inter residue H6-H1'       
 assign (resid 14 and name   H6) (resid 13 and name  H1')  4.0 0.3 0.4  
 assign (resid 15 and name   H6) (resid 14 and name  H1')  3.6 0.3 0.4  
 assign (resid 17 and name   H6) (resid 16 and name  H1')  3.7 0.3 0.4  
 assign (resid 18 and name   H6) (resid 17 and name  H1')  3.8 0.3 0.4  
 assign (resid  6 and name   H6) (resid  5 and name  H1')  3.8 0.3 0.4  
 assign (resid  9 and name   H6) (resid  8 and name  H1')  4.3 0.3 0.4  

 assign (resid 10 and name  H1') (resid 11 and name   H6)  3.5 0.3 0.4  
 assign (resid 11 and name  H1') (resid 12 and name   H6)  3.6 0.3 0.4  
 assign (resid 15 and name  H1') (resid 16 and name   H6)  3.9 0.3 0.4  

 assign (resid 16 and name   H6) (resid 15 and name  H2')  2.5 0.3 0.4  
 assign (resid 14 and name   H6) (resid 14 and name  H2')  2.7 0.3 0.4  
 assign (resid 15 and name   H6) (resid 14 and name  H2')  2.8 0.3 0.4  

 assign (resid 15 and name  H2') (resid 15 and name   H6)  3.3 0.3 0.4  

 assign (resid 14 and name   H6) (resid 14 and name  H3')  2.7 0.3 0.4  
 assign (resid 11 and name   H6) (resid 11 and name  H3')  2.7 0.3 0.4  
 assign (resid 15 and name   H6) (resid 15 and name  H3')  2.8 0.3 0.4  
 assign (resid 18 and name   H6) (resid 17 and name  H3')  3.3 0.3 0.4  
 assign (resid 16 and name   H6) (resid 15 and name  H3')  3.2 0.3 0.4  
 assign (resid 17 and name   H6) (resid 16 and name  H3')  3.6 0.3 0.4  
 assign (resid 15 and name   H6) (resid 14 and name  H3')  3.5 0.3 0.4  
 assign (resid 14 and name   H6) (resid 13 and name  H3')  3.7 0.3 0.4  

 assign (resid  6 and name  H3') (resid  6 and name   H6)  3.0 0.3 0.4  
 assign (resid  9 and name  H3') (resid  9 and name   H6)  2.6 0.3 0.4  
 assign (resid  8 and name  H3') (resid  9 and name   H6)  3.2 0.3 0.4  
 assign (resid 12 and name  H3') (resid 12 and name   H6)  2.6 0.3 0.4  
 assign (resid 16 and name  H3') (resid 16 and name   H6)  2.7 0.3 0.4  
 assign (resid 17 and name  H3') (resid 17 and name   H6)  2.6 0.3 0.4  
 assign (resid 18 and name H2'') (resid 18 and name   H6)  3.5 0.3 0.4  


 assign (resid  9 and name  H4') (resid  9 and name   H6)  4.0 0.3 0.4  
 assign (resid 12 and name  H4') (resid 12 and name   H6)  3.9 0.3 0.4  

 assign (resid 15 and name   H6) (resid 16 and name  H5#)  3.6 0.3 0.4  


 assign (resid 11 and name   H6) (resid 10 and name H2#')  3.6 0.3 0.4  

 assign (resid 11 and name H2#') (resid 12 and name   H6)  4.2 0.3 0.4  
 assign (resid 17 and name H2#') (resid 18 and name   H6)  3.7 0.3 0.4  

 assign (resid 11 and name   H6) (resid 10 and name H2'')  2.3 0.3 0.4  
 assign (resid  9 and name   H6) (resid  8 and name H2'')  2.5 0.3 0.4  
 assign (resid 18 and name   H6) (resid 17 and name H2'')  2.4 0.3 0.4  
 assign (resid 12 and name   H6) (resid 11 and name H2'')  2.6 0.3 0.4  
 assign (resid 14 and name   H6) (resid 13 and name H2'')  3.2 0.3 0.4  
 assign (resid 17 and name   H6) (resid 17 and name H2'')  3.8 0.3 0.4  
 assign (resid 11 and name   H6) (resid 11 and name H2'')  3.9 0.3 0.4  
 assign (resid  9 and name   H6) (resid  9 and name H2'')  3.9 0.3 0.4  

 assign (resid  5 and name H2'') (resid  6 and name   H6)  2.5 0.3 0.4  
 assign (resid  6 and name H2'') (resid  6 and name   H6)  2.8 0.3 0.4  
 assign (resid 12 and name H2'') (resid 12 and name   H6)  3.1 0.3 0.4  
 assign (resid 18 and name  H3') (resid 18 and name   H6)  2.5 0.3 0.4  


 assign (resid 16 and name H2'*) (resid 16 and name   H6)  2.9 0.3 0.4  
 assign (resid 16 and name H2'*) (resid 17 and name   H6)  2.5 0.3 0.4  



! Intra residue H8-H1'       
 assign (resid  5 and name   H8) (resid  5 and name  H1')  3.8 0.3 0.4  
 assign (resid  8 and name   H8) (resid  8 and name  H1')  3.8 0.3 0.4  
 assign (resid 13 and name   H8) (resid 13 and name  H1')  3.7 0.3 0.4  
 assign (resid  3 and name   H8) (resid  3 and name  H1')  3.9 0.3 0.4  
 assign (resid  4 and name   H8) (resid  4 and name  H1')  3.5 0.3 0.4  
 assign (resid  7 and name   H8) (resid  7 and name  H1')  4.0 0.3 0.4  

 assign (resid  2 and name  H1') (resid  2 and name   H8)  3.9 0.3 0.4  


! Inter residue H8-H1'       
 assign (resid  7 and name   H8) (resid  6 and name  H1')  3.5 0.3 0.4  
 assign (resid  8 and name   H8) (resid  7 and name  H1')  4.1 0.3 0.4  
 assign (resid  5 and name   H8) (resid  4 and name  H1')  3.7 0.3 0.4  
 assign (resid  4 and name   H8) (resid  3 and name  H1')  4.4 0.3 0.4  

 assign (resid  1 and name  H1') (resid  2 and name   H8)  4.0 0.3 0.4  
 assign (resid  2 and name  H1') (resid  3 and name   H8)  3.8 0.3 0.4  
 assign (resid 12 and name  H1') (resid 13 and name   H8)  3.5 0.3 0.4  


 assign (resid 13 and name   H8) (resid 13 and name  H2')  4.6 0.3 0.4  

 assign (resid  3 and name   H8) (resid  3 and name  H3')  2.6 0.3 0.4  
 assign (resid  8 and name   H8) (resid  8 and name  H3')  2.9 0.3 0.4  
 assign (resid 13 and name   H8) (resid 13 and name  H3')  3.1 0.3 0.4  
 assign (resid  5 and name   H8) (resid  4 and name  H3')  3.3 0.3 0.4  
 assign (resid  2 and name   H8) (resid  1 and name  H3')  3.2 0.3 0.4  
 assign (resid 13 and name   H8) (resid 12 and name  H3')  3.3 0.3 0.4  
 assign (resid  7 and name   H8) (resid  7 and name  H3')  3.4 0.3 0.4  

 assign (resid  2 and name  H3') (resid  2 and name   H8)  3.4 0.3 0.4  
 assign (resid  4 and name  H3') (resid  4 and name   H8)  2.9 0.3 0.4  
 assign (resid  3 and name  H3') (resid  4 and name   H8)  3.2 0.3 0.4  
 assign (resid  5 and name  H3') (resid  5 and name   H8)  3.0 0.3 0.4  
 assign (resid  6 and name  H3') (resid  7 and name   H8)  2.6 0.3 0.4  



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


 assign (resid 13 and name   H8) (resid 12 and name H2#')  4.2 0.3 0.4  


 assign (resid  8 and name   H8) (resid  7 and name H2'')  2.6 0.3 0.4  
 assign (resid  2 and name   H8) (resid  1 and name H2'')  2.7 0.3 0.4  
 assign (resid  4 and name   H8) (resid  4 and name H2'')  3.3 0.3 0.4  
 assign (resid  2 and name   H8) (resid  2 and name H2'')  3.3 0.3 0.4  
 assign (resid  8 and name   H8) (resid  8 and name H2'')  3.8 0.3 0.4  
 assign (resid  3 and name   H8) (resid  3 and name H2'')  4.5 0.3 0.4  

 assign (resid  3 and name H2'') (resid  4 and name   H8)  2.9 0.3 0.4  
 assign (resid  4 and name H2'') (resid  5 and name   H8)  2.5 0.3 0.4  
 assign (resid  7 and name H2'') (resid  7 and name   H8)  3.3 0.3 0.4  
 assign (resid 12 and name H2'') (resid 13 and name   H8)  2.6 0.3 0.4  

 assign (resid 14 and name  H1') (resid 14 and name  H2')  2.6 0.3 0.4  
 assign (resid 13 and name  H1') (resid 13 and name  H2')  2.6 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name  H2')  2.6 0.3 0.4  
 assign (resid 16 and name  H1') (resid 15 and name  H2')  4.5 0.3 0.4  


 assign (resid 18 and name  H1') (resid 18 and name H2'')  2.4 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name  H3')  3.4 0.3 0.4  
 assign (resid 17 and name  H1') (resid 17 and name  H3')  3.4 0.3 0.4  
 assign (resid 11 and name  H1') (resid 11 and name  H3')  3.4 0.3 0.4  
 assign (resid  4 and name  H1') (resid  4 and name  H3')  3.3 0.3 0.4  
 assign (resid 16 and name  H1') (resid 16 and name  H3')  3.5 0.3 0.4  
 assign (resid  8 and name  H1') (resid  8 and name  H3')  3.5 0.3 0.4  
 assign (resid  3 and name  H1') (resid  3 and name  H3')  3.5 0.3 0.4  
 assign (resid 14 and name  H1') (resid 14 and name  H3')  3.5 0.3 0.4  
 assign (resid 13 and name  H1') (resid 13 and name  H3')  3.2 0.3 0.4  
 assign (resid 12 and name  H1') (resid 12 and name  H3')  3.7 0.3 0.4  
 assign (resid 10 and name  H1') (resid 10 and name  H3')  3.7 0.3 0.4  
 assign (resid  5 and name  H1') (resid  5 and name  H3')  3.5 0.3 0.4  
 assign (resid  7 and name  H1') (resid  7 and name  H3')  4.5 0.3 0.4  

 assign (resid  1 and name  H3') (resid  1 and name  H1')  3.8 0.3 0.4  
 assign (resid  6 and name  H3') (resid  6 and name  H1')  3.3 0.3 0.4  

 assign (resid 14 and name  H1') (resid 14 and name  H4')  3.1 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name  H4')  3.0 0.3 0.4  
 assign (resid 13 and name  H1') (resid 13 and name  H4')  3.1 0.3 0.4  
 assign (resid 11 and name  H1') (resid 11 and name  H4')  3.5 0.3 0.4  
 assign (resid 16 and name  H1') (resid 16 and name  H4')  3.2 0.3 0.4  
 assign (resid  1 and name  H1') (resid  1 and name  H4')  3.4 0.3 0.4  
 assign (resid  9 and name  H1') (resid  9 and name  H4')  3.3 0.3 0.4  
 assign (resid  3 and name  H1') (resid  3 and name  H4')  3.6 0.3 0.4  
 assign (resid  2 and name  H1') (resid  2 and name  H4')  3.6 0.3 0.4  
 assign (resid 17 and name  H1') (resid 17 and name  H4')  3.9 0.3 0.4  
 assign (resid  4 and name  H1') (resid  4 and name  H4')  3.7 0.3 0.4  

 assign (resid  8 and name  H4') (resid  8 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 12 and name  H4') (resid 12 and name  H1')  2.9 0.3 0.4  



 assign (resid 17 and name  H1') (resid 17 and name H2#')  2.7 0.3 0.4  
 assign (resid 13 and name  H1') (resid 12 and name H2#')  4.1 0.3 0.4  

 assign (resid 10 and name H2#') (resid 10 and name  H1')  2.9 0.3 0.4  
 assign (resid 11 and name H2#') (resid 11 and name  H1')  2.8 0.3 0.4  
 assign (resid 12 and name H2#') (resid 12 and name  H1')  2.9 0.3 0.4  
 assign (resid 18 and name H2#') (resid 18 and name  H1')  3.1 0.3 0.4  


 assign (resid  2 and name  H1') (resid  2 and name H2'')  2.8 0.3 0.4  
 assign (resid  3 and name  H1') (resid  3 and name H2'')  2.5 0.3 0.4  
 assign (resid  4 and name  H1') (resid  3 and name H2'')  3.9 0.3 0.4  
 assign (resid  4 and name  H1') (resid  4 and name H2'')  2.6 0.3 0.4  
 assign (resid  5 and name  H1') (resid  5 and name H2'')  2.4 0.3 0.4  
 assign (resid  6 and name  H1') (resid  6 and name H2'')  2.5 0.3 0.4  
 assign (resid  7 and name  H1') (resid  7 and name H2'')  2.6 0.3 0.4  
 assign (resid  7 and name  H1') (resid  6 and name H2'')  5.0 0.3 0.4  
 assign (resid  8 and name  H1') (resid  8 and name H2'')  2.4 0.3 0.4  
 assign (resid 10 and name  H1') (resid 10 and name H2'')  2.5 0.3 0.4  
 assign (resid 14 and name  H1') (resid 14 and name H2'')  2.4 0.3 0.4  
 assign (resid 15 and name  H1') (resid 15 and name H2'')  2.3 0.3 0.4  
 assign (resid 17 and name  H1') (resid 17 and name H2'')  2.6 0.3 0.4  

 assign (resid  1 and name H2'') (resid  1 and name  H1')  2.5 0.3 0.4  
 assign (resid  1 and name H2'') (resid  2 and name  H1')  4.5 0.3 0.4  
 assign (resid  9 and name H2'') (resid  9 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 12 and name H2'') (resid 12 and name  H1')  2.5 0.3 0.4  
 assign (resid 13 and name H2'') (resid 13 and name  H1')  2.3 0.3 0.4  

 assign (resid 16 and name  H1') (resid 16 and name H2'*)  2.2 0.3 0.4  


 assign (resid 15 and name  H2') (resid 16 and name  H3')  4.3 0.3 0.4  

 assign (resid 13 and name  H3') (resid 13 and name  H2')  2.7 0.3 0.4  
 assign (resid 14 and name  H3') (resid 14 and name  H2')  2.7 0.3 0.4  
 assign (resid 15 and name  H3') (resid 15 and name  H2')  2.7 0.3 0.4  



 assign (resid 13 and name  H2') (resid 14 and name  H5#)  3.5 0.3 0.4  
 assign (resid 15 and name  H2') (resid 16 and name  H5#)  3.5 0.3 0.4  



 assign (resid 16 and name  H4') (resid 16 and name  H3')  2.8 0.3 0.4  


 assign (resid 14 and name  H5#) (resid 13 and name  H3')  3.2 0.3 0.4  
 assign (resid 14 and name  H5#) (resid 14 and name  H3')  6.2 0.3 0.4  
 assign (resid 16 and name  H5#) (resid 15 and name  H3')  3.4 0.3 0.4  
 assign (resid 16 and name  H5#) (resid 16 and name  H3')  5.1 0.3 0.4  

 assign (resid 13 and name  H3') (resid 13 and name H2'')  3.2 0.3 0.4  
 assign (resid 15 and name  H3') (resid 15 and name H2'')  3.0 0.3 0.4  

 assign (resid 17 and name H2'') (resid 17 and name  H3')  2.5 0.3 0.4  

 assign (resid 17 and name  H3') (resid 16 and name H2'*)  3.8 0.3 0.4  

 assign (resid 16 and name H2'*) (resid 16 and name  H3')  2.5 0.3 0.4  

 assign (resid 15 and name  H4') (resid 15 and name H2'')  2.6 0.3 0.4  

 assign (resid 13 and name H2'') (resid 13 and name  H4')  2.9 0.3 0.4  

 assign (resid 16 and name  H4') (resid 16 and name H2'*)  3.6 0.3 0.4  


 assign (resid 14 and name  H5#) (resid 13 and name H2'')  4.3 0.3 0.4  

 assign (resid 16 and name  H5#) (resid 15 and name H2'')  4.1 0.3 0.4  

 assign (resid 17 and name H2'') (resid 17 and name H2#')  3.0 0.3 0.4  


 assign (resid 10 and name H2#') (resid 10 and name  H3')  3.3 0.3 0.4  

 assign (resid 10 and name H2#') (resid 10 and name  H4')  4.6 0.3 0.4  

 assign (resid 10 and name H2'') (resid 10 and name H2#')  2.6 0.3 0.4  

 assign (resid 11 and name H2#') (resid 11 and name  H4')  4.1 0.3 0.4  

 assign (resid 11 and name H2#') (resid 11 and name  H3')  3.8 0.3 0.4  

 assign (resid 11 and name H2#') (resid 11 and name H2'')  3.0 0.3 0.4  

 assign (resid 12 and name H2#') (resid 12 and name  H4')  3.8 0.3 0.4  

 assign (resid 12 and name H2#') (resid 12 and name  H3')  4.2 0.3 0.4  

 assign (resid 12 and name H2#') (resid 12 and name H2'')  2.6 0.3 0.4  

 assign (resid 17 and name  H3') (resid 17 and name H2#')  3.7 0.3 0.4  

 assign (resid 17 and name  H4') (resid 17 and name H2#')  4.3 0.3 0.4  

 assign (resid 17 and name H2#') (resid 17 and name H2'')  2.9 0.3 0.4  

 assign (resid 18 and name H2#') (resid 18 and name  H3')  3.7 0.3 0.4  


set message=on end     
set echo=on end     

	THE ENTRY HAS NO H ATOM COORDINATE RECORDS