*HEADER   RIBOSOMAL RNA COMPLEX                   29-JAN-98   1A4D    
*TITLE    LOOP D/LOOP E ARM OF ESCHERICHIA COLI 5S RRNA, NMR,         
*TITLE   2 MINIMIZED AVERAGE STRUCTURE                                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: 5S RRNA                                          
*COMPND  3 (5'-R(*GP*GP*CP*CP*GP*AP*UP*GP*GP*UP*AP*GP*UP*GP*UP*GP*GP* 
*COMPND  4 GP*GP*UP*C)-3');                                           
*COMPND  5 CHAIN: A;                                                  
*COMPND  6 FRAGMENT: LOOP D/LOOP E ARM;                               
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 MOL_ID: 2;                                                 
*COMPND  9 MOLECULE: 5S RRNA                                          
*COMPND 10 (5'-R(*UP*CP*CP*CP*CP*AP*UP*GP*CP*GP*AP*GP*AP*GP*UP*AP*GP* 
*COMPND 11 GP*CP*C)-3');                                              
*COMPND 12 CHAIN: B;                                                  
*COMPND 13 FRAGMENT: LOOP D/LOOP E ARM;                               
*COMPND 14 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 CELLULAR_LOCATION: CYTOPLASM;                              
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: JM101;                           
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PAD3;                           
*SOURCE  7 MOL_ID: 2;                                                 
*SOURCE  8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  9 CELLULAR_LOCATION: CYTOPLASM;                              
*SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE 11 EXPRESSION_SYSTEM_STRAIN: JM101;                           
*SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PAD3                            
*KEYWDS   5S RRNA, INTERNAL LOOP, CROSS-STRAND STACK, TRANSLATION,    
*KEYWDS  2 RIBOSOME, RIBOSOMAL RNA COMPLEX                            
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   A.DALLAS,P.B.MOORE                                          
*REVDAT  1   29-APR-98 1A4D    0                                      
 
!   this file has all dist restraints for helix5,loope,helix4,loopd
!    
!       
!       aromatic-anomeric
assign (resid  68 and name H1') (resid  69 and name H8 )  4.0   0.5   1.0
assign (resid  69 and name H1') (resid  70 and name H6 )  4.0   0.5   1.0
assign (resid  70 and name H1') (resid  71 and name H6 )  4.0   0.5   1.0
assign (resid  71 and name H1') (resid  72 and name H8 )  4.0   0.5   1.0
assign (resid  72 and name H1') (resid  73 and name H8 )  4.0   0.5   1.0
assign (resid  73 and name H1') (resid  74 and name H6 )  4.0   0.5   1.0
assign (resid  74 and name H1') (resid  75 and name H8 )  4.0   0.5   1.0
assign (resid  75 and name H1') (resid  76 and name H8 )  4.0   0.5   1.0
assign (resid  76 and name H1') (resid  77 and name H6 )  4.0   0.5   1.0
assign (resid  77 and name H1') (resid  78 and name H8 )  4.0   0.5   1.0
assign (resid  78 and name H1') (resid  79 and name H8 )  4.0   0.5   1.0
assign (resid  79 and name H1') (resid  80 and name H6 )  4.0   0.5   1.0
assign (resid  80 and name H1') (resid  81 and name H8 )  4.0   0.5   1.0
assign (resid  81 and name H1') (resid  82 and name H6 )  4.0   0.5   1.0
assign (resid  82 and name H1') (resid  83 and name H8 )  4.0   0.5   1.0
assign (resid  83 and name H1') (resid  84 and name H8 )  4.0   0.5   1.0
assign (resid  84 and name H1') (resid  85 and name H8 )  4.0   0.5   1.0
assign (resid  85 and name H1') (resid  86 and name H8 )  4.0   0.5   1.0
assign (resid  86 and name H1') (resid  87 and name H6 )  4.0   0.5   1.0
assign (resid  87 and name H1') (resid  88 and name H6 )  4.0   0.5   1.0
assign (resid  88 and name H1') (resid  89 and name H6 )  6.0   1.0   5.0
assign (resid  89 and name H1') (resid  90 and name H6 )  5.0   0.5   5.0
assign (resid  90 and name H1') (resid  91 and name H6 )  4.0   0.5   1.0
assign (resid  91 and name H1') (resid  92 and name H6 )  4.0   0.5   1.0
assign (resid  92 and name H1') (resid  93 and name H6 )  4.0   0.5   1.0
assign (resid  93 and name H1') (resid  94 and name H8 )  4.0   0.5   1.0
assign (resid  94 and name H1') (resid  95 and name H6 )  4.0   0.5   1.0
assign (resid  95 and name H1') (resid  96 and name H8 )  4.0   0.5   1.0
assign (resid  96 and name H1') (resid  97 and name H6 )  4.0   0.5   1.0
assign (resid  97 and name H1') (resid  98 and name H8 )  4.0   0.5   1.0
assign (resid  98 and name H1') (resid  99 and name H8 )  4.0   0.5   1.0
assign (resid  99 and name H1') (resid 100 and name H8 )  4.0   0.5   1.0
assign (resid 100 and name H1') (resid 101 and name H8 )  4.0   0.5   1.0
assign (resid 101 and name H1') (resid 102 and name H8 )  4.0   0.5   1.0
assign (resid 102 and name H1') (resid 103 and name H6 )  4.0   0.5   1.0
assign (resid 103 and name H1') (resid 104 and name H8 )  4.0   0.5   1.0
assign (resid 104 and name H1') (resid 105 and name H8 )  4.0   0.5   1.0
assign (resid 105 and name H1') (resid 106 and name H8 )  4.0   0.5   1.0
assign (resid 106 and name H1') (resid 107 and name H6 )  4.0   0.5   1.0
assign (resid 107 and name H1') (resid 108 and name H6 )  4.0   0.5   1.0
!
!       h2'-arom sequential distances
!
assign (resid  68 and name H2') (resid  69 and name H8 )  2.5   0.5   1.0
assign (resid  69 and name H2') (resid  70 and name H6 )  2.5   0.5   1.0
assign (resid  70 and name H2') (resid  71 and name H6 )  2.5   0.5   1.0
assign (resid  71 and name H2') (resid  72 and name H8 )  3.5   1.5   1.0 
assign (resid  72 and name H2') (resid  73 and name H8 )  2.5   0.5   1.0 
assign (resid  73 and name H2') (resid  74 and name H6 )  2.5   0.5   1.0 
assign (resid  74 and name H2') (resid  75 and name H8 )  2.5   0.5   1.0 
assign (resid  75 and name H2') (resid  76 and name H8 )  2.5   0.5   1.0 
assign (resid  76 and name H2') (resid  77 and name H6 )  2.5   0.5   1.0 
assign (resid  77 and name H2') (resid  78 and name H8 )  2.5   0.5   1.0 
assign (resid  78 and name H2') (resid  79 and name H8 )  2.5   0.5   1.0 
assign (resid  79 and name H2') (resid  80 and name H6 )  2.5   0.5   1.0 
assign (resid  92 and name H1') (resid  92 and name H6 )  4.0   1.0   1.0 
assign (resid  81 and name H2') (resid  82 and name H6 )  2.5   0.5   1.0
assign (resid  82 and name H2') (resid  83 and name H8 )  2.5   0.5   1.0 
assign (resid  83 and name H2') (resid  84 and name H8 )  2.5   0.5   1.0 
assign (resid  84 and name H2') (resid  85 and name H8 )  2.5   0.5   1.0 
assign (resid  85 and name H2') (resid  86 and name H8 )  2.5   0.5   1.0 
assign (resid  86 and name H2') (resid  87 and name H6 )  4.0   1.0   1.0 
assign (resid  87 and name H2') (resid  88 and name H6 )  4.0   1.0   1.0 
assign (resid  90 and name H2') (resid  91 and name H6 )  2.5   0.5   1.0
assign (resid  91 and name H2') (resid  92 and name H6 )  2.5   0.5   1.0
assign (resid  92 and name H2') (resid  93 and name H6 )  2.5   0.5   1.0
assign (resid  93 and name H2') (resid  94 and name H8 )  2.5   0.5   1.0
assign (resid  94 and name H2') (resid  95 and name H6 )  2.5   0.5   1.0
assign (resid  95 and name H2') (resid  96 and name H8 )  2.5   0.5   1.0
assign (resid  96 and name H2') (resid  97 and name H6 )  2.5   0.5   1.0
assign (resid  97 and name H2') (resid  98 and name H8 )  3.5   1.5   1.0 
assign (resid  98 and name H2') (resid  99 and name H8 )  2.5   0.5   1.0 
assign (resid  99 and name H2') (resid 100 and name H8 )  2.5   0.5   1.0 
assign (resid 100 and name H2') (resid 101 and name H8 )  2.5   0.5   1.0 
assign (resid 101 and name H2') (resid 102 and name H8 )  2.5   0.5   1.0 
assign (resid 102 and name H2') (resid 103 and name H6 )  2.5   0.5   1.0 
assign (resid 103 and name H2') (resid 104 and name H8 )  2.5   0.5   1.0 
assign (resid 104 and name H2') (resid 105 and name H8 )  2.5   0.5   1.0 
assign (resid 105 and name H2') (resid 106 and name H8 )  2.5   0.5   1.0
assign (resid 106 and name H2') (resid 107 and name H6 )  2.5   0.5   1.0
assign (resid 107 and name H2') (resid 108 and name H6 )  2.5   0.5   1.0
!
!       Normal self H1'-arom noes--3.8 for anti, 2.6 for syn
!       all residues are anti
assign (resid  68 and name H1') (resid  68 and name H8 )  4.0   1.0   1.0
assign (resid  69 and name H1') (resid  69 and name H8 )  4.0   1.0   1.0
assign (resid  70 and name H1') (resid  70 and name H6 )  4.0   1.0   1.0
assign (resid  71 and name H1') (resid  71 and name H6 )  4.0   1.0   1.0
assign (resid  72 and name H1') (resid  72 and name H8 )  4.0   1.0   1.0
assign (resid  73 and name H1') (resid  73 and name H8 )  4.0   1.0   1.0
assign (resid  74 and name H1') (resid  74 and name H6 )  4.0   1.0   1.0
assign (resid  75 and name H1') (resid  75 and name H8 )  4.0   1.0   1.0
assign (resid  76 and name H1') (resid  76 and name H8 )  4.0   1.0   1.0
assign (resid  77 and name H1') (resid  77 and name H6 )  4.0   1.0   1.0
assign (resid  78 and name H1') (resid  78 and name H8 )  4.0   1.0   1.0
assign (resid  79 and name H1') (resid  79 and name H8 )  4.0   1.0   1.0
assign (resid  80 and name H1') (resid  80 and name H6 )  4.0   1.0   1.0
assign (resid  81 and name H1') (resid  81 and name H8 )  4.0   1.0   1.0
assign (resid  82 and name H1') (resid  82 and name H6 )  4.0   1.0   1.0
assign (resid  83 and name H1') (resid  83 and name H8 )  4.0   1.0   1.0
assign (resid  84 and name H1') (resid  84 and name H8 )  4.0   1.0   1.0
assign (resid  85 and name H1') (resid  85 and name H8 )  4.0   1.0   1.0
assign (resid  86 and name H1') (resid  86 and name H8 )  4.0   1.0   1.0
assign (resid  87 and name H1') (resid  87 and name H6 )  4.0   1.0   1.0
assign (resid  88 and name H1') (resid  88 and name H6 )  4.0   1.0   1.0
assign (resid  89 and name H1') (resid  89 and name H6 )  4.0   1.0   1.0
assign (resid  90 and name H1') (resid  90 and name H6 )  4.0   1.0   1.0
assign (resid  91 and name H1') (resid  91 and name H6 )  4.0   1.0   1.0
assign (resid  92 and name H1') (resid  92 and name H6 )  4.0   1.0   1.0
assign (resid  93 and name H1') (resid  93 and name H6 )  4.0   1.0   1.0
assign (resid  94 and name H1') (resid  94 and name H8 )  4.0   1.0   1.0
assign (resid  95 and name H1') (resid  95 and name H6 )  4.0   1.0   1.0
assign (resid  96 and name H1') (resid  96 and name H8 )  4.0   1.0   1.0
assign (resid  97 and name H1') (resid  97 and name H6 )  4.0   1.0   1.0
assign (resid  98 and name H1') (resid  98 and name H8 )  4.0   1.0   1.0
assign (resid  99 and name H1') (resid  99 and name H8 )  4.0   1.0   1.0
assign (resid 100 and name H1') (resid 100 and name H8 )  4.0   1.0   1.0
assign (resid 101 and name H1') (resid 101 and name H8 )  4.0   1.0   1.0
assign (resid 102 and name H1') (resid 102 and name H8 )  4.0   1.0   1.0
assign (resid 103 and name H1') (resid 103 and name H6 )  4.0   1.0   1.0
assign (resid 104 and name H1') (resid 104 and name H8 )  4.0   1.0   1.0
assign (resid 105 and name H1') (resid 105 and name H8 )  4.0   1.0   1.0
assign (resid 106 and name H1') (resid 106 and name H8 )  4.0   1.0   1.0
assign (resid 107 and name H1') (resid 107 and name H6 )  4.0   1.0   1.0
assign (resid 108 and name H1') (resid 108 and name H6 )  4.0   1.0   1.0
!
!       Strong self H2'-arom noes (loopd)
!
assign (resid  87 and name H2') (resid  87 and name H6 )  2.5   0.5   1.0
assign (resid  88 and name H2') (resid  88 and name H6 )  2.5   0.5   1.0
assign (resid  89 and name H2') (resid  89 and name H6 )  2.5   0.5   1.0
!       other arom ribose
assign (resid  72 and name H2') (resid  72 and name H8)  4.0   1.0   1.0
assign (resid  98 and name H2') (resid  98 and name H8)  4.0   1.0   1.0
assign (resid  72 and name H3') (resid  72 and name H8)  2.5   0.5   1.0
assign (resid  98 and name H3') (resid  98 and name H8)  2.5   0.5   1.0
!
!   ALL AH2 noes
!       
!       A73-H2
assign (resid 104 and name H2) (resid  73 and name H2)    3.0   1.0   1.0
assign (resid  73 and name H2) (resid  74 and name H1')   3.0   1.0   1.0
assign (resid  73 and name H2) (resid  74 and name H6 )   4.0   1.0   1.0
!       A99-H2
assign (resid  78 and name H2) (resid  99 and name H2)    3.0   1.0   1.0
assign (resid  99 and name H2) (resid 100 and name H1')   3.0   1.0   1.0
assign (resid  99 and name H2) (resid 100 and name H8 )   5.5   0.1   5.0
!       A78-H2
assign (resid  78 and name H2) (resid  99 and name H8)     4.0   1.0   2.0
assign (resid  79 and name H8) (resid  78 and name H2)     4.0   1.0   1.0
assign (resid  78 and name H2) (resid  99 and name H1')    3.0   1.0   1.0
assign (resid  78 and name H2) (resid  79 and name H1')    3.0   1.0   1.0
assign (resid  78 and name H2) (resid  78 and name H1')    4.5   1.0   0.5
!       A104-H2
assign (resid 104 and name H2) (resid  73 and name H8)     4.0   1.0   2.0
assign (resid 104 and name H2) (resid  73 and name H1')    3.0   1.0   1.0
assign (resid 104 and name H2) (resid 105 and name H1')    3.0   1.0   1.0
assign (resid 104 and name H2) (resid 104 and name H1')    4.5   1.0   0.5
!       A101-H2
assign (resid 101 and name H2) (resid 102 and name H1')   3.0   1.0   1.0
assign (resid 101 and name H2) (resid 102 and name H8 )   4.0   1.0   1.0
!       A94-H2 
assign (resid  94 and name H2) (resid  95 and name H6 )  4.00  1.00  1.00
assign (resid  94 and name H2) (resid  83 and name H8 )  4.00  1.00  1.00
assign (resid  94 and name H2) (resid  83 and name H1')  4.00  1.00  1.00
assign (resid  94 and name H2) (resid  95 and name H1')  4.00  1.00  1.00
!
!       Aromatic-aromatic noes
!
assign (resid  68 and name H8) (resid  69 and name H8 )  4.00  1.00  1.00
assign (resid  70 and name H6) (resid  71 and name H6 )  4.00  1.00  1.00
assign (resid  71 and name H6) (resid  72 and name H8 )   4.0   1.0   1.0
assign (resid  73 and name H8) (resid  74 and name H6 )   4.0   0.6   1.0
assign (resid  74 and name H6) (resid  75 and name H8 )   4.0   0.6   1.0
assign (resid  75 and name H8) (resid  76 and name H8 )   4.0   0.6   1.0
assign (resid  77 and name H6) (resid  78 and name H8 )   4.0   1.0   1.0
assign (resid  78 and name H8) (resid  79 and name H8 )   4.0   1.0   1.0
assign (resid  81 and name H8) (resid  82 and name H6 )  4.00  1.00  1.00
assign (resid  82 and name H6) (resid  83 and name H8 )  4.00  1.00  1.00
assign (resid  83 and name H8) (resid  84 and name H8 )  4.00  1.00  1.00
assign (resid  84 and name H8) (resid  85 and name H8 )  4.00  1.00  1.00
assign (resid  87 and name H6) (resid  88 and name H6 )  4.50  0.50  1.00
assign (resid  90 and name H6) (resid  91 and name H6 )  4.00  1.00  1.00
assign (resid  92 and name H6) (resid  93 and name H6 )  4.00  1.00  1.00
assign (resid  93 and name H6) (resid  94 and name H8 )  4.00  1.00  1.00
assign (resid  95 and name H6) (resid  96 and name H8 )  4.00  1.00  1.00
assign (resid  96 and name H8) (resid  97 and name H6 )  4.00  1.00  1.00
assign (resid  99 and name H8) (resid 100 and name H8 )   4.0   0.6   1.0
assign (resid 100 and name H8) (resid 101 and name H8 )   4.0   0.6   1.0
assign (resid 101 and name H8) (resid 102 and name H8 )   4.0   0.6   1.0
assign (resid 102 and name H8) (resid 103 and name H6 )   4.0   0.6   1.0
assign (resid 103 and name H6) (resid 104 and name H8 )   4.0   1.0   1.0
assign (resid 104 and name H8) (resid 105 and name H8 )   4.0   1.0   1.0
assign (resid 105 and name H8) (resid 106 and name H8 )  4.00  1.00  1.00
assign (resid 106 and name H8) (resid 107 and name H6 )  4.00  1.00  1.00
!
!       Anomeric near diagonal--sequential h1'-h1'
!
assign (resid  69 and name H1') (resid  70 and name H1') 4.00  1.00  1.00
assign (resid  71 and name H1') (resid  72 and name H1') 4.00  1.00  1.00
assign (resid  81 and name H1') (resid  82 and name H1') 4.00  1.00  1.00
assign (resid  82 and name H1') (resid  83 and name H1') 4.00  1.00  1.00
assign (resid  83 and name H1') (resid  84 and name H1') 4.00  1.00  1.00
assign (resid  84 and name H1') (resid  85 and name H1') 4.00  1.00  1.00
assign (resid  91 and name H1') (resid  92 and name H1') 4.00  1.00  1.00
assign (resid  93 and name H1') (resid  94 and name H1') 4.00  1.00  1.00
assign (resid  94 and name H1') (resid  95 and name H1') 4.00  1.00  1.00
assign (resid  95 and name H1') (resid  96 and name H1') 4.00  1.00  1.00
assign (resid  96 and name H1') (resid  97 and name H1') 4.00  1.00  1.00
assign (resid 103 and name H1') (resid 104 and name H1') 4.00  1.00  1.00
assign (resid 106 and name H1') (resid 107 and name H1') 4.00  1.00  1.00
!
!       Anomeric near diagonal--h1'-h5, self and sequential
!
assign (resid  69 and name H1') (resid  70 and name H5 ) 4.00  1.00  1.00
assign (resid  70 and name H1') (resid  70 and name H5 ) 4.00  1.00  1.00
assign (resid  70 and name H5)  (resid  71 and name H5 ) 4.00  1.00  1.00
assign (resid  70 and name H1') (resid  71 and name H5 ) 4.00  1.00  1.00
assign (resid  81 and name H1') (resid  82 and name H5 ) 4.00  1.00  1.00
assign (resid  82 and name H1') (resid  82 and name H5 ) 4.00  1.00  1.00
assign (resid  91 and name H1') (resid  91 and name H5 ) 4.00  1.00  1.00
assign (resid  91 and name H5)  (resid  92 and name H5 ) 4.00  1.00  1.00
assign (resid  93 and name H1') (resid  93 and name H5 ) 4.00  1.00  1.00
assign (resid  96 and name H1') (resid  97 and name H5 ) 4.00  1.00  1.00
assign (resid 106 and name H1') (resid 107 and name H5 ) 4.00  1.00  1.00
assign (resid 107 and name H1') (resid 107 and name H5 ) 4.00  1.00  1.00
assign (resid 108 and name H1') (resid 108 and name H5 ) 4.00  1.00  1.00
!        h5-aromatic noes 
assign (resid  93 and name H5)  (resid  94 and name H8 ) 4.00  1.00  1.00
assign (resid  91 and name H5)  (resid  90 and name H6 ) 4.00  1.00  1.00
assign (resid  90 and name H5)  (resid  89 and name H6 ) 4.50  0.50  1.00
assign (resid  88 and name H5)  (resid  87 and name H6 ) 4.00  1.00  1.00
!
!       IMINO-IMINO NOES
!
assign (resid  96 and name H1) (resid  80 and name H3 )  2.5   0.5   1.0
assign (resid  81 and name H1) (resid  95 and name H3 )  2.5   0.5   1.0
assign (resid  85 and name H1) (resid  84 and name H1 )  4.0   2.0   1.0
assign (resid  84 and name H1) (resid  83 and name H1 )  4.0   2.0   1.0
assign (resid  82 and name H3) (resid  83 and name H1 )  4.0   2.0   1.0
assign (resid  82 and name H3) (resid  95 and name H3 )  2.5   1.0   1.0
assign (resid  82 and name H3) (resid  81 and name H1 )  3.0   1.0   1.0
!
!       loop e imino-imino noes
assign (resid  77 and name H3) (resid  76 and name H1)    4.0   1.0   1.0
assign (resid 102 and name H1) (resid 103 and name H3)    4.0   1.0   1.0
assign (resid 102 and name H1) (resid  74 and name H3)    4.0   0.4   1.0
!
!  Imino-amino and imino-non-xch
! 
assign (resid  72 and name H1) (resid  71 and name H42)     4.0   1.0   1.0
assign (resid  72 and name H1) (resid  71 and name H41)     4.0   1.0   1.0
assign (resid  98 and name H1) (resid  97 and name H42)     4.0   1.0   1.0
assign (resid  98 and name H1) (resid  97 and name H41)     4.0   1.0   1.0
assign (resid  77 and name H3) (resid  99 and name H62)     3.0   1.0   1.0
assign (resid  77 and name H3) (resid  99 and name H61)     3.0   1.0   1.0
assign (resid 103 and name H3) (resid  73 and name H62)     3.0   1.0   1.0
assign (resid 103 and name H3) (resid  73 and name H61)     3.0   1.0   1.0
assign (resid  79 and name H1) (resid  98 and name H1')    3.0   1.0   1.0
assign (resid  105 and name H1) (resid  72 and name H1')   3.0   1.0   1.0
assign (resid  79 and name H1) (resid  97 and name H5)     4.0   1.0   1.0
assign (resid  105 and name H1) (resid  71 and name H5)    4.0   1.0   1.0
assign (resid  79 and name H1) (resid  97 and name H5)     4.0   1.0   1.5
assign (resid  72 and name H1) (resid 103 and name H6)     4.0   1.0   1.0
assign (resid  98 and name H1) (resid  77 and name H6)     4.0   1.0   1.0
assign (resid  77 and name H3) (resid  99 and name H8)     2.4   0.6   1.0
assign (resid  77 and name H3) (resid  78 and name H8)     4.0   0.5   1.0
assign (resid  77 and name H3) (resid  77 and name H1')    4.0   1.0   1.0
assign (resid  77 and name H3) (resid  77 and name H2')    4.0   1.0   1.0
assign (resid 103 and name H3) (resid  73 and name H8)     2.4   0.6   1.0
assign (resid 103 and name H3) (resid 104 and name H8)     4.0   0.5   1.0
assign (resid 103 and name H3) (resid 103 and name H1')    4.0   1.0   1.0
assign (resid  80 and name H3)  (resid  81 and name H8 ) 4.00  1.00  1.00
assign (resid  80 and name H3)  (resid  81 and name H1') 4.00  1.00  1.00
assign (resid  80 and name H3)  (resid  80 and name H1') 4.00  1.00  1.00
assign (resid  80 and name H3)  (resid  80 and name H2') 4.00  1.00  1.00
assign (resid  81 and name H1)  (resid  96 and name H8 ) 4.00  1.00  1.00
assign (resid  81 and name H1)  (resid  95 and name H6 ) 4.00  1.00  1.00
assign (resid  81 and name H1)  (resid  94 and name H2 ) 4.00  1.00  1.00
assign (resid  81 and name H1)  (resid  96 and name H1') 2.50  0.50  1.00
assign (resid  82 and name H3)  (resid  94 and name H2 ) 2.50  0.50  1.00
assign (resid  82 and name H3)  (resid  93 and name H41) 4.00  1.50  1.00
assign (resid  82 and name H3)  (resid  93 and name H42) 4.00  1.50  1.00
assign (resid  82 and name H3)  (resid  83 and name H8 ) 4.00  1.00  1.00
assign (resid  82 and name H3)  (resid  83 and name H1') 4.00  1.00  1.00
assign (resid  83 and name H1)  (resid  93 and name H41) 4.00  1.50  1.00
assign (resid  83 and name H1)  (resid  93 and name H42) 4.00  1.50  1.00
assign (resid  83 and name H1)  (resid  94 and name H8 ) 4.00  1.00  1.00
assign (resid  83 and name H1)  (resid  94 and name H2 ) 4.00  1.00  1.00
assign (resid  83 and name H1)  (resid  93 and name H6 ) 4.00  1.00  1.00
assign (resid  84 and name H1)  (resid  92 and name H41) 4.00  1.50  1.00
assign (resid  84 and name H1)  (resid  92 and name H42) 4.00  1.50  1.00
assign (resid  84 and name H1)  (resid  93 and name H6 ) 4.00  1.00  1.00
assign (resid  84 and name H1)  (resid  85 and name H8 ) 4.00  1.00  1.00
assign (resid  85 and name H1)  (resid  92 and name H41) 4.00  1.50  1.00
assign (resid  85 and name H1)  (resid  92 and name H42) 4.00  1.50  1.00
assign (resid  85 and name H1)  (resid  91 and name H41) 4.00  1.00  1.00
assign (resid  85 and name H1)  (resid  91 and name H42) 4.00  1.00  1.00
assign (resid  95 and name H3)  (resid  96 and name H8 ) 4.00  1.00  1.00
assign (resid  95 and name H3)  (resid  94 and name H2 ) 4.00  1.00  1.00
assign (resid  95 and name H3)  (resid  96 and name H1') 4.00  1.00  1.00
assign (resid  95 and name H3)  (resid  95 and name H1') 4.00  1.00  1.00
assign (resid  96 and name H1)  (resid  81 and name H8 ) 4.00  1.00  1.00
assign (resid  96 and name H1)  (resid  80 and name H1') 4.00  1.00  1.00
assign (resid  96 and name H1)  (resid  80 and name H2') 4.00  1.00  1.00
assign (resid  81 and name N2)  (resid  96 and name H1') 2.50  0.50  1.00
assign (resid  81 and name N2)  (resid  81 and name H1') 4.00  1.50  1.00
assign (resid 100 and name H1) (resid 101 and name H2)    4.0   1.0   1.0 
assign (resid 100 and name H1) (resid  77 and name H1')   4.0   1.0   1.0
assign (resid 102 and name H1) (resid  73 and name H8)    4.0   1.0   1.0
assign (resid 102 and name H1) (resid  74 and name H5)    4.0   1.0   1.0
assign (resid  77 and name H3) (resid 100 and name H8)    4.0   1.0   1.0
assign (resid 103 and name H3) (resid  74 and name H6)    4.0   1.0   1.0
assign (resid 102 and name H1) (resid  73 and name N6)    4.0   1.0   1.0
assign (resid  76 and name H1) (resid  99 and name N6)    4.0   1.0   1.0
assign (resid  74 and name H3) (resid  73 and name N6)    4.0   1.0   1.0
assign (resid  74 and name H3) (resid 102 and name N2)    4.0   1.0   1.0
!  imino-X NOE's for U74--visible at 5 degrees C
assign (resid 74 and name H3) (resid  75 and name H8)     4.0   1.0   1.0
assign (resid 74 and name H3) (resid 103 and name H1')    4.0   1.0   1.0
assign (resid 74 and name H3) (resid  75 and name H1')    4.0   1.0   1.0

!
assign (resid  79 and name N2) (resid  80 and name H1')    4.0   1.0   1.5
assign (resid  83 and name N2)  (resid  94 and name H1') 2.50  0.50  1.00
assign (resid  83 and name N2)  (resid  84 and name H1') 2.50  0.50  1.00
assign (resid  84 and name N2)  (resid  85 and name H1') 2.50  0.50  1.00
assign (resid  84 and name N2)  (resid  93 and name H1') 2.50  0.50  1.00
assign (resid  85 and name N2)  (resid  86 and name H1') 2.50  0.50  1.00
assign (resid  85 and name N2)  (resid  92 and name H1') 2.50  0.50  1.00
assign (resid  96 and name N2)  (resid  81 and name H1') 2.50  0.50  1.00
assign (resid  99 and name H61) (resid  78 and name H1')  4.0   1.5   1.0
assign (resid  99 and name H62) (resid  78 and name H1')  4.0   1.5   1.0
assign (resid  73 and name H61) (resid 104 and name H1')  4.0   1.5   1.0
assign (resid  73 and name H62) (resid 104 and name H1')  4.0   1.5   1.0
assign (resid  76 and name N2) (resid  77 and name H1')   4.0   1.5   1.0
assign (resid 100 and name N2) (resid 101 and name H1')   4.0   1.5   1.0
assign (resid 102 and name N2) (resid 103 and name H1')   4.0   1.5   1.0
assign (resid  76 and name N2) (resid 101 and name H2)    4.0   1.0   1.0
assign (resid  76 and name N2) (resid 100 and name H1)    4.0   1.0   1.0
assign (resid  82 and name H5 ) (resid 82 and name H2' ) 4.0   1.0   1.0
assign (resid  95 and name H5 ) (resid 95 and name H2' ) 4.0   1.0   1.0
!
assign (resid  87 and name H6 ) (resid  87 and name H3')  4.0   1.0   1.0
assign (resid  87 and name H6 ) (resid  87 and name H5')  4.0   1.0   1.0
assign (resid  87 and name H6 ) (resid  87 and name H5'')  4.0   1.0   1.0
assign (resid  87 and name H6 ) (resid  88 and name H2')  4.0   0.5   1.0
assign (resid  87 and name H6 ) (resid  87 and name H4')  4.0   0.5   1.0
assign (resid  88 and name H6 ) (resid  87 and name H3')  3.5   1.0   1.5
assign (resid  88 and name H6 ) (resid  88 and name H3')  3.0   1.0   1.5
assign (resid  88 and name H6 ) (resid  87 and name H3')  4.0   1.0   1.5
assign (resid  88 and name H6 ) (resid  87 and name H4')  4.0   1.0   1.5
assign (resid  89 and name H6 ) (resid  89 and name H3')  3.0   1.0   1.5
assign (resid  89 and name H6 ) (resid  89 and name H5')  4.0   1.0   1.5
assign (resid  90 and name H6 ) (resid  89 and name H3')  4.0   1.0   1.0
assign (resid  90 and name H6 ) (resid  89 and name H5')  4.0   1.0   1.5
assign (resid  90 and name H1') (resid  91 and name H1') 4.00  1.00  1.00
assign (resid  87 and name H1') (resid  87 and name H5 ) 4.00  1.00  1.00
assign (resid  88 and name H1') (resid  88 and name H5 ) 4.00  1.00  1.00
assign (resid  89 and name H1') (resid  90 and name H5 ) 4.00  1.00  1.50
assign (resid  89 and name H3') (resid  90 and name H1') 4.00  1.00  1.00
assign (resid  89 and name H5 ) (resid  88 and name H1') 4.50  1.00  1.00
assign (resid  90 and name H1') (resid  90 and name H5 ) 4.00  1.00  1.00
assign (resid  90 and name H1') (resid  91 and name H5 ) 4.00  1.00  1.00
assign (resid  90 and name H5)  (resid  91 and name H5 ) 4.00  1.00  1.00
assign (resid  90 and name H5)  (resid  89 and name H3' ) 4.00  1.00  1.00
assign (resid  90 and name H5)  (resid  90 and name H2' ) 3.00  1.00  2.00
assign (resid  90 and name H5)  (resid  89 and name H4' ) 4.50  1.00  1.00
assign (resid  90 and name H5)  (resid  89 and name C5' ) 4.00  1.00  1.00
assign (resid  87 and name H1') (resid  87 and name H4' ) 4.00  1.50  1.00
assign (resid  87 and name H1') (resid  87 and name H2' ) 3.00  1.00  1.00
assign (resid  87 and name H1') (resid  87 and name H3' ) 4.00  1.00  1.00
assign (resid  87 and name H1') (resid  88 and name H2' ) 4.50  1.00  1.00
assign (resid  87 and name H1') (resid  87 and name C5' ) 4.00  1.00  1.00
assign (resid  87 and name H5) (resid  87 and name H2' ) 3.00  1.00  2.00
assign (resid  87 and name H5) (resid  87 and name H3' ) 4.00  1.00  1.00
assign (resid  87 and name H5) (resid  88 and name H2' ) 4.50  1.00  1.00
assign (resid  89 and name H1') (resid 89 and name H3' ) 4.00  1.00  1.00
assign (resid  89 and name H1') (resid 89 and name H4' ) 4.00  1.00  1.00
assign (resid  89 and name H1') (resid 89 and name H2' ) 3.00  1.00  1.00
assign (resid  89 and name H1') (resid 89 and name C5' ) 4.00  1.00  1.00
assign (resid  89 and name H5) (resid 89 and name H3' )  4.00  1.00  1.20
assign (resid  89 and name H5) (resid 89 and name H2' )  4.00  1.50  1.00
assign (resid  88 and name H1') (resid  88 and name H2' ) 4.00  1.00  1.00
assign (resid  88 and name H5)  (resid  88 and name H2' ) 4.00  1.00  1.00
assign (resid  88 and name H5)  (resid  87 and name H2' ) 4.00  1.00  1.00
assign (resid  71 and name H1') (resid  71 and name H2')  2.4   0.6   0.6 
assign (resid  72 and name H1') (resid  72 and name H2')  2.4   0.6   0.6 
assign (resid  73 and name H1') (resid  73 and name H2')  2.4   0.6   0.6 
assign (resid  74 and name H1') (resid  74 and name H2')  2.4   0.6   0.6 
assign (resid  75 and name H1') (resid  75 and name H2')  2.4   0.6   0.6 
assign (resid  76 and name H1') (resid  76 and name H2')  2.4   0.6   0.6 
assign (resid  77 and name H1') (resid  77 and name H2')  2.4   0.6   0.6 
assign (resid  78 and name H1') (resid  78 and name H2')  2.4   0.6   0.6 
assign (resid  79 and name H1') (resid  79 and name H2')  2.4   0.6   0.6 
assign (resid  97 and name H1') (resid  97 and name H2')  2.4   0.6   0.6 
assign (resid  98 and name H1') (resid  98 and name H2')  2.4   0.6   0.6 
assign (resid  99 and name H1') (resid  99 and name H2')  2.4   0.6   0.6 
assign (resid 100 and name H1') (resid 100 and name H2')  2.4   0.6   0.6 
assign (resid 101 and name H1') (resid 101 and name H2')  2.4   0.6   0.6 
assign (resid 102 and name H1') (resid 102 and name H2')  2.4   0.6   0.6 
assign (resid 103 and name H1') (resid 103 and name H2')  2.4   0.6   0.6 
assign (resid 104 and name H1') (resid 104 and name H2')  2.4   0.6   0.6 
assign (resid 105 and name H1') (resid 105 and name H2')  2.4   0.6   0.6 
assign (resid  80 and name H1') (resid 80 and name H2' ) 2.4   0.6   0.6 
assign (resid  81 and name H1') (resid 81 and name H2' ) 2.4   0.6   0.6 
assign (resid  82 and name H1') (resid 82 and name H2' ) 2.4   0.6   0.6 
assign (resid  83 and name H1') (resid 83 and name H2' ) 2.4   0.6   0.6 
assign (resid  84 and name H1') (resid 84 and name H2' ) 2.4   0.6   0.6 
assign (resid  85 and name H1') (resid 85 and name H2' ) 2.4   0.6   0.6 
assign (resid  91 and name H1') (resid 91 and name H2' ) 2.4   0.6   0.6 
assign (resid  92 and name H1') (resid 92 and name H2' ) 2.4   0.6   0.6 
assign (resid  93 and name H1') (resid 93 and name H2' ) 2.4   0.6   0.6 
assign (resid  94 and name H1') (resid 94 and name H2' ) 2.4   0.6   0.6 
assign (resid  95 and name H1') (resid 95 and name H2' ) 2.4   0.6   0.6 
assign (resid  96 and name H1') (resid 96 and name H2' ) 2.4   0.6   0.6  

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G  68          1H5*      GUA  68  86.130 -27.293  -3.416
    2   2H5*    G  68          2H5*      GUA  68  84.892 -26.165  -2.838
    3    H4*    G  68           H4*      GUA  68  84.589 -28.585  -2.216
    4    H3*    G  68           H3*      GUA  68  84.515 -26.404  -0.146
    5   1H2*    G  68          1H2*      GUA  68  84.156 -28.062   1.549
    6   2HO*    G  68          2HO*      GUA  68  82.929 -29.314  -0.420
    7    H1*    G  68           H1*      GUA  68  85.959 -29.959   0.479
    8    H8     G  68           H8       GUA  68  87.877 -26.901   0.173
    9    H1     G  68           H1       GUA  68  87.310 -28.732   6.289
   10   1H2     G  68           H21      GUA  68  84.797 -30.797   5.107
   11   2H2     G  68           H22      GUA  68  85.712 -30.239   6.488
   12    H5T    G  68           H5T      GUA  68  86.457 -25.939  -0.964
   13   1H5*    G  69          1H5*      GUA  69  81.670 -28.887   1.411
   14   2H5*    G  69          2H5*      GUA  69  80.165 -28.017   1.054
   15    H4*    G  69           H4*      GUA  69  79.835 -28.525   3.241
   16    H3*    G  69           H3*      GUA  69  81.194 -25.836   3.270
   17   1H2*    G  69          1H2*      GUA  69  81.047 -25.901   5.684
   18   2HO*    G  69          2HO*      GUA  69  78.913 -27.244   5.314
   19    H1*    G  69           H1*      GUA  69  81.947 -28.529   5.885
   20    H8     G  69           H8       GUA  69  83.725 -26.741   3.068
   21    H1     G  69           H1       GUA  69  86.309 -25.844   8.866
   22   1H2     G  69           H21      GUA  69  83.454 -27.414  10.034
   23   2H2     G  69           H22      GUA  69  84.983 -26.661  10.427
   24   1H5*    C  70          1H5*      CYT  70  77.341 -24.593   5.225
   25   2H5*    C  70          2H5*      CYT  70  77.355 -22.829   5.031
   26    H4*    C  70           H4*      CYT  70  77.571 -23.733   7.383
   27    H3*    C  70           H3*      CYT  70  79.555 -21.731   6.310
   28   1H2*    C  70          1H2*      CYT  70  80.564 -21.739   8.518
   29   2HO*    C  70          2HO*      CYT  70  78.144 -22.442   9.279
   30    H1*    C  70           H1*      CYT  70  80.644 -24.511   8.673
   31   1H4     C  70           H41      CYT  70  85.400 -23.254   4.344
   32   2H4     C  70           H42      CYT  70  86.120 -22.858   5.891
   33    H5     C  70           H5       CYT  70  83.062 -23.843   4.099
   34    H6     C  70           H6       CYT  70  80.927 -24.006   5.236
   35   1H5*    C  71          1H5*      CYT  71  78.773 -20.578  10.072
   36   2H5*    C  71          2H5*      CYT  71  78.014 -18.975  10.039
   37    H4*    C  71           H4*      CYT  71  79.643 -18.913  11.733
   38    H3*    C  71           H3*      CYT  71  80.419 -17.400   9.274
   39   1H2*    C  71          1H2*      CYT  71  82.576 -16.909  10.190
   40   2HO*    C  71          2HO*      CYT  71  81.346 -16.754  12.409
   41    H1*    C  71           H1*      CYT  71  83.029 -19.424  11.347
   42   1H4     C  71           H41      CYT  71  84.560 -20.437   5.044
   43   2H4     C  71           H42      CYT  71  86.036 -19.861   5.786
   44    H5     C  71           H5       CYT  71  82.439 -20.492   6.199
   45    H6     C  71           H6       CYT  71  81.295 -19.975   8.284
   46   1H5*    G  72          1H5*      GUA  72  81.365 -14.344  11.623
   47   2H5*    G  72          2H5*      GUA  72  80.945 -12.838  10.783
   48    H4*    G  72           H4*      GUA  72  83.350 -13.142  10.917
   49    H3*    G  72           H3*      GUA  72  82.164 -13.197   8.152
   50   1H2*    G  72          1H2*      GUA  72  84.409 -13.420   7.277
   51   2HO*    G  72          2HO*      GUA  72  85.336 -12.031   9.012
   52    H1*    G  72           H1*      GUA  72  85.113 -15.461   9.025
   53    H8     G  72           H8       GUA  72  81.485 -15.941   8.405
   54    H1     G  72           H1       GUA  72  85.128 -17.926   3.526
   55   1H2     G  72           H21      GUA  72  87.697 -16.253   5.133
   56   2H2     G  72           H22      GUA  72  87.187 -17.220   3.770
   57   1H5*    A  73          1H5*      ADE  73  84.361  -8.353   8.430
   58   2H5*    A  73          2H5*      ADE  73  85.877  -8.558   7.538
   59    H4*    A  73           H4*      ADE  73  85.234  -9.079  10.365
   60    H3*    A  73           H3*      ADE  73  87.553  -7.976   8.836
   61   1H2*    A  73          1H2*      ADE  73  89.097  -8.780  10.499
   62   2HO*    A  73          2HO*      ADE  73  86.964  -8.572  12.070
   63    H1*    A  73           H1*      ADE  73  88.071 -11.328  10.646
   64    H8     A  73           H8       ADE  73  87.272 -11.504   7.350
   65   1H6     A  73           H61      ADE  73  91.537 -11.439   5.009
   66   2H6     A  73           H62      ADE  73  93.139 -10.933   5.491
   67    H2     A  73           H2       ADE  73  92.891  -9.505   9.724
   68   1H5*    U  74          1H5*      URI  74  89.482  -6.686  10.578
   69   2H5*    U  74          2H5*      URI  74  89.452  -4.916  10.685
   70    H4*    U  74           H4*      URI  74  91.548  -5.314   9.850
   71    H3*    U  74           H3*      URI  74  89.791  -4.844   7.441
   72   1H2*    U  74          1H2*      URI  74  91.778  -5.074   6.098
   73   2HO*    U  74          2HO*      URI  74  92.954  -4.082   8.211
   74    H1*    U  74           H1*      URI  74  92.779  -7.269   7.584
   75    H3     U  74           H3       URI  74  91.649  -8.588   3.312
   76    H5     U  74           H5       URI  74  88.201  -9.041   5.653
   77    H6     U  74           H6       URI  74  89.326  -7.855   7.418
   78   1H5*    G  75          1H5*      GUA  75  92.646  -2.260   6.440
   79   2H5*    G  75          2H5*      GUA  75  91.956  -0.974   5.431
   80    H4*    G  75           H4*      GUA  75  93.460  -2.588   4.251
   81    H3*    G  75           H3*      GUA  75  90.652  -2.165   3.237
   82   1H2*    G  75          1H2*      GUA  75  91.182  -3.653   1.423
   83   2HO*    G  75          2HO*      GUA  75  93.548  -2.671   1.641
   84    H1*    G  75           H1*      GUA  75  92.588  -5.499   3.042
   85    H8     G  75           H8       GUA  75  89.734  -4.852   5.153
   86    H1     G  75           H1       GUA  75  88.035  -8.121  -0.097
   87   1H2     G  75           H21      GUA  75  91.136  -7.176  -1.310
   88   2H2     G  75           H22      GUA  75  89.640  -8.033  -1.602
   89   1H5*    G  76          1H5*      GUA  76  91.703  -0.159  -0.494
   90   2H5*    G  76          2H5*      GUA  76  90.046   0.409  -0.775
   91    H4*    G  76           H4*      GUA  76  91.129  -1.833  -1.845
   92    H3*    G  76           H3*      GUA  76  88.241  -1.135  -1.370
   93   1H2*    G  76          1H2*      GUA  76  87.639  -3.346  -2.101
   94   2HO*    G  76          2HO*      GUA  76  89.788  -3.091  -3.587
   95    H1*    G  76           H1*      GUA  76  89.728  -4.657  -0.738
   96    H8     G  76           H8       GUA  76  88.991  -2.686   2.026
   97    H1     G  76           H1       GUA  76  83.803  -6.148   0.554
   98   1H2     G  76           H21      GUA  76  85.346  -6.588  -2.517
   99   2H2     G  76           H22      GUA  76  83.957  -6.917  -1.505
  100   1H5*    U  77          1H5*      URI  77  87.841  -3.143  -5.361
  101   2H5*    U  77          2H5*      URI  77  86.964  -1.842  -6.191
  102    H4*    U  77           H4*      URI  77  85.835  -4.032  -6.304
  103    H3*    U  77           H3*      URI  77  84.397  -1.705  -5.065
  104   1H2*    U  77          1H2*      URI  77  82.514  -3.126  -4.609
  105   2HO*    U  77          2HO*      URI  77  83.259  -4.322  -6.782
  106    H1*    U  77           H1*      URI  77  84.012  -5.328  -3.731
  107    H3     U  77           H3       URI  77  81.884  -3.577  -0.100
  108    H5     U  77           H5       URI  77  85.472  -1.431  -0.456
  109    H6     U  77           H6       URI  77  85.791  -2.471  -2.601
  110   1H5*    A  78          1H5*      ADE  78  81.138  -2.720  -8.071
  111   2H5*    A  78          2H5*      ADE  78  80.223  -1.205  -7.963
  112    H4*    A  78           H4*      ADE  78  79.358  -3.516  -6.954
  113    H3*    A  78           H3*      ADE  78  78.826  -0.749  -5.875
  114   1H2*    A  78          1H2*      ADE  78  77.547  -1.786  -4.123
  115   2HO*    A  78          2HO*      ADE  78  76.895  -3.467  -5.933
  116    H1*    A  78           H1*      ADE  78  79.346  -3.964  -3.782
  117    H8     A  78           H8       ADE  78  81.813  -1.433  -3.706
  118   1H6     A  78           H61      ADE  78  81.057   0.613   0.647
  119   2H6     A  78           H62      ADE  78  79.722   0.544   1.782
  120    H2     A  78           H2       ADE  78  76.583  -2.071  -0.040
  121   1H5*    G  79          1H5*      GUA  79  75.249  -1.739  -5.133
  122   2H5*    G  79          2H5*      GUA  79  74.174  -0.537  -5.874
  123    H4*    G  79           H4*      GUA  79  73.825  -0.476  -3.532
  124    H3*    G  79           H3*      GUA  79  75.342   1.920  -4.539
  125   1H2*    G  79          1H2*      GUA  79  75.373   2.776  -2.291
  126   2HO*    G  79          2HO*      GUA  79  73.090   1.697  -2.057
  127    H1*    G  79           H1*      GUA  79  75.966   0.304  -1.085
  128    H8     G  79           H8       GUA  79  78.097   0.255  -4.050
  129    H1     G  79           H1       GUA  79  80.295   4.295   0.420
  130   1H2     G  79           H21      GUA  79  77.136   3.944   1.825
  131   2H2     G  79           H22      GUA  79  78.715   4.686   1.931
  132   1H5*    U  80          1H5*      URI  80  71.684   3.890  -3.067
  133   2H5*    U  80          2H5*      URI  80  71.507   5.402  -3.979
  134    H4*    U  80           H4*      URI  80  71.915   5.670  -1.532
  135    H3*    U  80           H3*      URI  80  73.684   7.019  -3.546
  136   1H2*    U  80          1H2*      URI  80  75.015   7.923  -1.753
  137   2HO*    U  80          2HO*      URI  80  74.217   8.152   0.219
  138    H1*    U  80           H1*      URI  80  75.178   5.555  -0.303
  139    H3     U  80           H3       URI  80  79.151   6.443  -2.440
  140    H5     U  80           H5       URI  80  76.931   3.989  -5.021
  141    H6     U  80           H6       URI  80  75.026   4.370  -3.602
  142   1H5*    G  81          1H5*      GUA  81  72.594   9.628  -0.377
  143   2H5*    G  81          2H5*      GUA  81  72.436  11.314  -0.907
  144    H4*    G  81           H4*      GUA  81  74.045  10.854   0.985
  145    H3*    G  81           H3*      GUA  81  74.911  12.400  -1.453
  146   1H2*    G  81          1H2*      GUA  81  77.064  12.665  -0.413
  147   2HO*    G  81          2HO*      GUA  81  76.678  13.126   1.679
  148    H1*    G  81           H1*      GUA  81  77.147  10.060   0.663
  149    H8     G  81           H8       GUA  81  76.100   9.304  -2.700
  150    H1     G  81           H1       GUA  81  82.272  11.097  -2.375
  151   1H2     G  81           H21      GUA  81  81.389  12.461   0.634
  152   2H2     G  81           H22      GUA  81  82.633  12.205  -0.570
  153   1H5*    U  82          1H5*      URI  82  75.849  14.823   1.739
  154   2H5*    U  82          2H5*      URI  82  75.728  16.555   1.368
  155    H4*    U  82           H4*      URI  82  78.003  15.867   1.976
  156    H3*    U  82           H3*      URI  82  77.532  17.027  -0.752
  157   1H2*    U  82          1H2*      URI  82  79.815  16.692  -1.310
  158   2HO*    U  82          2HO*      URI  82  81.210  17.128   0.220
  159    H1*    U  82           H1*      URI  82  80.141  14.235   0.068
  160    H3     U  82           H3       URI  82  80.810  13.742  -4.494
  161    H5     U  82           H5       URI  82  76.762  13.058  -3.679
  162    H6     U  82           H6       URI  82  77.068  14.081  -1.563
  163   1H5*    G  83          1H5*      GUA  83  80.633  19.495   1.106
  164   2H5*    G  83          2H5*      GUA  83  80.675  21.091   0.332
  165    H4*    G  83           H4*      GUA  83  82.747  19.658   0.126
  166    H3*    G  83           H3*      GUA  83  81.452  20.836  -2.333
  167   1H2*    G  83          1H2*      GUA  83  83.275  19.908  -3.600
  168   2HO*    G  83          2HO*      GUA  83  84.918  20.460  -2.061
  169    H1*    G  83           H1*      GUA  83  83.326  17.467  -2.148
  170    H8     G  83           H8       GUA  83  79.773  17.912  -2.743
  171    H1     G  83           H1       GUA  83  82.910  16.408  -8.123
  172   1H2     G  83           H21      GUA  83  85.741  17.339  -6.357
  173   2H2     G  83           H22      GUA  83  85.073  16.753  -7.862
  174   1H5*    G  84          1H5*      GUA  84  85.396  22.531  -2.477
  175   2H5*    G  84          2H5*      GUA  84  85.353  23.997  -3.476
  176    H4*    G  84           H4*      GUA  84  86.680  22.034  -4.364
  177    H3*    G  84           H3*      GUA  84  84.592  23.399  -6.058
  178   1H2*    G  84          1H2*      GUA  84  85.175  21.901  -7.842
  179   2HO*    G  84          2HO*      GUA  84  87.202  21.335  -7.992
  180    H1*    G  84           H1*      GUA  84  85.463  19.627  -6.170
  181    H8     G  84           H8       GUA  84  82.368  21.046  -4.934
  182    H1     G  84           H1       GUA  84  81.630  18.504 -10.774
  183   1H2     G  84           H21      GUA  84  85.073  18.570 -10.907
  184   2H2     G  84           H22      GUA  84  83.575  18.179 -11.722
  185   1H5*    G  85          1H5*      GUA  85  88.076  23.117  -8.265
  186   2H5*    G  85          2H5*      GUA  85  88.277  24.419  -9.452
  187    H4*    G  85           H4*      GUA  85  88.131  22.057 -10.345
  188    H3*    G  85           H3*      GUA  85  86.385  24.258 -11.431
  189   1H2*    G  85          1H2*      GUA  85  85.395  22.681 -12.925
  190   2HO*    G  85          2HO*      GUA  85  87.834  21.703 -12.939
  191    H1*    G  85           H1*      GUA  85  85.560  20.457 -11.110
  192    H8     G  85           H8       GUA  85  83.803  22.687  -9.002
  193    H1     G  85           H1       GUA  85  80.145  21.034 -13.996
  194   1H2     G  85           H21      GUA  85  83.130  20.067 -15.463
  195   2H2     G  85           H22      GUA  85  81.395  20.219 -15.620
  196   1H5*    G  86          1H5*      GUA  86  86.793  22.798 -14.934
  197   2H5*    G  86          2H5*      GUA  86  87.513  24.073 -15.937
  198    H4*    G  86           H4*      GUA  86  85.484  23.603 -16.965
  199    H3*    G  86           H3*      GUA  86  85.223  26.085 -15.285
  200   1H2*    G  86          1H2*      GUA  86  82.920  26.241 -15.908
  201   2HO*    G  86          2HO*      GUA  86  83.818  25.207 -18.151
  202    H1*    G  86           H1*      GUA  86  82.419  23.442 -15.858
  203    H8     G  86           H8       GUA  86  84.351  24.840 -12.898
  204    H1     G  86           H1       GUA  86  77.970  24.972 -12.289
  205   1H2     G  86           H21      GUA  86  77.943  24.022 -15.617
  206   2H2     G  86           H22      GUA  86  77.008  24.423 -14.196
  207   1H5*    U  87          1H5*      URI  87  84.908  30.197 -17.846
  208   2H5*    U  87          2H5*      URI  87  83.753  29.867 -16.539
  209    H4*    U  87           H4*      URI  87  82.819  31.076 -18.517
  210    H3*    U  87           H3*      URI  87  81.573  28.536 -17.522
  211   1H2*    U  87          1H2*      URI  87  80.160  28.417 -19.400
  212   2HO*    U  87          2HO*      URI  87  79.839  30.933 -18.781
  213    H1*    U  87           H1*      URI  87  81.814  30.196 -21.083
  214    H3     U  87           H3       URI  87  81.791  27.325 -24.437
  215    H5     U  87           H5       URI  87  81.883  24.819 -21.088
  216    H6     U  87           H6       URI  87  81.909  26.749 -19.705
  217   1H5*    C  88          1H5*      CYT  88  77.738  30.989 -18.357
  218   2H5*    C  88          2H5*      CYT  88  77.284  31.047 -16.642
  219    H4*    C  88           H4*      CYT  88  75.382  30.113 -17.261
  220    H3*    C  88           H3*      CYT  88  76.819  28.003 -16.479
  221   1H2*    C  88          1H2*      CYT  88  77.790  27.410 -18.599
  222   2HO*    C  88          2HO*      CYT  88  75.499  26.042 -17.956
  223    H1*    C  88           H1*      CYT  88  75.125  27.943 -20.004
  224   1H4     C  88           H41      CYT  88  79.873  28.992 -24.434
  225   2H4     C  88           H42      CYT  88  79.102  27.497 -24.922
  226    H5     C  88           H5       CYT  88  79.311  30.138 -22.377
  227    H6     C  88           H6       CYT  88  77.922  30.096 -20.389
  228   1H5*    U  89          1H5*      URI  89  72.471  26.097 -17.032
  229   2H5*    U  89          2H5*      URI  89  72.409  27.830 -17.405
  230    H4*    U  89           H4*      URI  89  70.547  27.121 -15.302
  231    H3*    U  89           H3*      URI  89  70.328  25.538 -17.860
  232   1H2*    U  89          1H2*      URI  89  67.996  25.979 -17.937
  233   2HO*    U  89          2HO*      URI  89  68.304  25.883 -15.276
  234    H1*    U  89           H1*      URI  89  68.166  28.594 -16.784
  235    H3     U  89           H3       URI  89  66.763  30.118 -20.743
  236    H5     U  89           H5       URI  89  69.918  27.553 -21.795
  237    H6     U  89           H6       URI  89  70.159  27.014 -19.457
  238   1H5*    C  90          1H5*      CYT  90  70.330  23.720 -19.040
  239   2H5*    C  90          2H5*      CYT  90  69.781  22.038 -19.174
  240    H4*    C  90           H4*      CYT  90  71.836  21.906 -20.156
  241    H3*    C  90           H3*      CYT  90  72.082  21.103 -17.303
  242   1H2*    C  90          1H2*      CYT  90  74.465  21.116 -17.365
  243   2HO*    C  90          2HO*      CYT  90  75.492  20.678 -19.184
  244    H1*    C  90           H1*      CYT  90  74.808  23.471 -18.745
  245   1H4     C  90           H41      CYT  90  72.803  25.334 -12.752
  246   2H4     C  90           H42      CYT  90  74.533  25.604 -12.811
  247    H5     C  90           H5       CYT  90  71.581  24.304 -14.597
  248    H6     C  90           H6       CYT  90  71.787  23.231 -16.736
  249   1H5*    C  91          1H5*      CYT  91  74.556  18.314 -20.078
  250   2H5*    C  91          2H5*      CYT  91  74.669  16.781 -19.192
  251    H4*    C  91           H4*      CYT  91  76.840  17.835 -19.948
  252    H3*    C  91           H3*      CYT  91  76.443  17.024 -17.069
  253   1H2*    C  91          1H2*      CYT  91  78.720  17.698 -16.674
  254   2HO*    C  91          2HO*      CYT  91  79.994  17.212 -18.320
  255    H1*    C  91           H1*      CYT  91  78.524  20.054 -18.210
  256   1H4     C  91           H41      CYT  91  75.879  21.702 -12.439
  257   2H4     C  91           H42      CYT  91  77.609  21.858 -12.202
  258    H5     C  91           H5       CYT  91  74.923  20.770 -14.471
  259    H6     C  91           H6       CYT  91  75.421  19.712 -16.596
  260   1H5*    C  92          1H5*      CYT  92  80.008  15.033 -18.776
  261   2H5*    C  92          2H5*      CYT  92  80.382  13.572 -17.842
  262    H4*    C  92           H4*      CYT  92  82.195  15.327 -18.006
  263    H3*    C  92           H3*      CYT  92  81.322  14.237 -15.334
  264   1H2*    C  92          1H2*      CYT  92  83.052  15.597 -14.330
  265   2HO*    C  92          2HO*      CYT  92  84.674  15.381 -15.912
  266    H1*    C  92           H1*      CYT  92  82.396  17.883 -15.796
  267   1H4     C  92           H41      CYT  92  77.645  17.647 -11.273
  268   2H4     C  92           H42      CYT  92  79.026  18.274 -10.405
  269    H5     C  92           H5       CYT  92  77.781  16.806 -13.534
  270    H6     C  92           H6       CYT  92  79.279  16.349 -15.401
  271   1H5*    C  93          1H5*      CYT  93  85.337  13.811 -15.776
  272   2H5*    C  93          2H5*      CYT  93  86.148  12.448 -14.979
  273    H4*    C  93           H4*      CYT  93  86.950  14.698 -14.285
  274    H3*    C  93           H3*      CYT  93  85.928  12.747 -12.241
  275   1H2*    C  93          1H2*      CYT  93  86.370  14.362 -10.518
  276   2HO*    C  93          2HO*      CYT  93  88.284  15.099 -12.157
  277    H1*    C  93           H1*      CYT  93  85.398  16.573 -11.954
  278   1H4     C  93           H41      CYT  93  79.925  13.788  -9.562
  279   2H4     C  93           H42      CYT  93  80.668  14.591  -8.213
  280    H5     C  93           H5       CYT  93  81.076  13.665 -11.749
  281    H6     C  93           H6       CYT  93  83.116  14.200 -12.940
  282   1H5*    A  94          1H5*      ADE  94  89.346  13.849 -10.747
  283   2H5*    A  94          2H5*      ADE  94  90.295  12.623  -9.883
  284    H4*    A  94           H4*      ADE  94  89.590  14.361  -8.370
  285    H3*    A  94           H3*      ADE  94  88.295  11.682  -7.888
  286   1H2*    A  94          1H2*      ADE  94  87.164  12.646  -6.017
  287   2HO*    A  94          2HO*      ADE  94  88.271  14.028  -4.851
  288    H1*    A  94           H1*      ADE  94  86.782  15.203  -7.242
  289    H8     A  94           H8       ADE  94  85.553  12.723  -9.684
  290   1H6     A  94           H61      ADE  94  81.055  12.093  -7.950
  291   2H6     A  94           H62      ADE  94  80.272  12.518  -6.445
  292    H2     A  94           H2       ADE  94  83.376  14.593  -3.947
  293   1H5*    U  95          1H5*      URI  95  90.280  12.960  -4.192
  294   2H5*    U  95          2H5*      URI  95  90.703  11.521  -3.244
  295    H4*    U  95           H4*      URI  95  89.254  13.059  -2.015
  296    H3*    U  95           H3*      URI  95  88.105  10.334  -2.608
  297   1H2*    U  95          1H2*      URI  95  86.184  10.980  -1.306
  298   2HO*    U  95          2HO*      URI  95  86.427  12.392   0.270
  299    H1*    U  95           H1*      URI  95  86.011  13.557  -2.435
  300    H3     U  95           H3       URI  95  82.441  11.403  -4.169
  301    H5     U  95           H5       URI  95  85.693   9.955  -6.329
  302    H6     U  95           H6       URI  95  87.114  11.121  -4.800
  303   1H5*    G  96          1H5*      GUA  96  88.161  11.344   1.415
  304   2H5*    G  96          2H5*      GUA  96  88.116  10.051   2.629
  305    H4*    G  96           H4*      GUA  96  86.232  11.735   2.671
  306    H3*    G  96           H3*      GUA  96  85.663   8.775   2.590
  307   1H2*    G  96          1H2*      GUA  96  83.318   9.340   2.774
  308   2HO*    G  96          2HO*      GUA  96  83.969  11.209   4.248
  309    H1*    G  96           H1*      GUA  96  83.465  11.458   0.927
  310    H8     G  96           H8       GUA  96  85.483   9.148  -0.899
  311    H1     G  96           H1       GUA  96  79.366   7.222  -0.662
  312   1H2     G  96           H21      GUA  96  79.081   9.427   1.948
  313   2H2     G  96           H22      GUA  96  78.302   8.243   0.922
  314   1H5*    C  97          1H5*      CYT  97  83.837   9.508   6.273
  315   2H5*    C  97          2H5*      CYT  97  83.894   8.007   7.218
  316    H4*    C  97           H4*      CYT  97  81.628   8.652   6.429
  317    H3*    C  97           H3*      CYT  97  82.744   5.971   5.616
  318   1H2*    C  97          1H2*      CYT  97  80.638   5.525   4.533
  319   2HO*    C  97          2HO*      CYT  97  79.687   7.068   6.413
  320    H1*    C  97           H1*      CYT  97  80.432   8.097   3.390
  321   1H4     C  97           H41      CYT  97  84.509   5.050  -0.729
  322   2H4     C  97           H42      CYT  97  82.943   4.361  -1.100
  323    H5     C  97           H5       CYT  97  84.866   6.527   1.157
  324    H6     C  97           H6       CYT  97  83.839   7.535   3.119
  325   1H5*    G  98          1H5*      GUA  98  79.680   4.423   6.442
  326   2H5*    G  98          2H5*      GUA  98  79.819   3.015   7.514
  327    H4*    G  98           H4*      GUA  98  79.036   2.152   5.500
  328    H3*    G  98           H3*      GUA  98  82.013   1.699   5.669
  329   1H2*    G  98          1H2*      GUA  98  81.812   0.462   3.590
  330   2HO*    G  98          2HO*      GUA  98  79.522  -0.208   4.280
  331    H1*    G  98           H1*      GUA  98  80.357   2.477   2.346
  332    H8     G  98           H8       GUA  98  82.662   4.199   4.712
  333    H1     G  98           H1       GUA  98  85.557   2.196  -0.653
  334   1H2     G  98           H21      GUA  98  82.631   0.465  -1.217
  335   2H2     G  98           H22      GUA  98  84.234   0.875  -1.783
  336   1H5*    A  99          1H5*      ADE  99  81.533  -3.588   6.489
  337   2H5*    A  99          2H5*      ADE  99  81.337  -3.564   4.728
  338    H4*    A  99           H4*      ADE  99  79.523  -2.330   6.796
  339    H3*    A  99           H3*      ADE  99  79.356  -4.855   5.279
  340   1H2*    A  99          1H2*      ADE  99  77.179  -4.444   4.397
  341   2HO*    A  99          2HO*      ADE  99  76.596  -3.475   6.587
  342    H1*    A  99           H1*      ADE  99  77.464  -1.777   3.757
  343    H8     A  99           H8       ADE  99  80.706  -2.174   2.739
  344   1H6     A  99           H61      ADE  99  80.374  -4.801  -1.328
  345   2H6     A  99           H62      ADE  99  79.115  -5.806  -2.003
  346    H2     A  99           H2       ADE  99  75.674  -5.699   0.873
  347   1H5*    G 100          1H5*      GUA 100  77.721  -7.662   7.691
  348   2H5*    G 100          2H5*      GUA 100  78.970  -8.803   7.159
  349    H4*    G 100           H4*      GUA 100  76.621  -8.205   5.849
  350    H3*    G 100           H3*      GUA 100  79.133  -9.537   4.832
  351   1H2*    G 100          1H2*      GUA 100  78.059  -9.626   2.676
  352   2HO*    G 100          2HO*      GUA 100  75.900  -9.909   4.023
  353    H1*    G 100           H1*      GUA 100  77.005  -7.003   2.873
  354    H8     G 100           H8       GUA 100  80.169  -6.036   3.966
  355    H1     G 100           H1       GUA 100  80.695  -8.492  -1.931
  356   1H2     G 100           H21      GUA 100  77.550  -9.798  -1.336
  357   2H2     G 100           H22      GUA 100  78.891  -9.635  -2.448
  358   1H5*    A 101          1H5*      ADE 101  76.960 -12.314   3.115
  359   2H5*    A 101          2H5*      ADE 101  77.580 -13.894   3.632
  360    H4*    A 101           H4*      ADE 101  77.791 -13.734   1.269
  361    H3*    A 101           H3*      ADE 101  80.379 -13.685   2.771
  362   1H2*    A 101          1H2*      ADE 101  81.598 -13.368   0.718
  363   2HO*    A 101          2HO*      ADE 101  79.839 -14.767  -0.388
  364    H1*    A 101           H1*      ADE 101  79.988 -11.356  -0.273
  365    H8     A 101           H8       ADE 101  79.779 -10.801   3.372
  366   1H6     A 101           H61      ADE 101  83.879  -8.303   4.077
  367   2H6     A 101           H62      ADE 101  85.283  -7.992   3.080
  368    H2     A 101           H2       ADE 101  84.582 -10.082  -0.822
  369   1H5*    G 102          1H5*      GUA 102  81.777 -17.240   0.356
  370   2H5*    G 102          2H5*      GUA 102  83.187 -17.603   1.369
  371    H4*    G 102           H4*      GUA 102  83.335 -16.382  -1.007
  372    H3*    G 102           H3*      GUA 102  85.173 -16.010   1.358
  373   1H2*    G 102          1H2*      GUA 102  86.425 -14.475  -0.043
  374   2HO*    G 102          2HO*      GUA 102  85.469 -15.933  -1.991
  375    H1*    G 102           H1*      GUA 102  84.147 -13.100  -0.879
  376    H8     G 102           H8       GUA 102  82.947 -13.577   2.399
  377    H1     G 102           H1       GUA 102  88.305 -10.073   2.637
  378   1H2     G 102           H21      GUA 102  88.810 -11.186  -0.616
  379   2H2     G 102           H22      GUA 102  89.396 -10.224   0.724
  380   1H5*    U 103          1H5*      URI 103  87.991 -15.732  -1.492
  381   2H5*    U 103          2H5*      URI 103  88.884 -17.256  -1.321
  382    H4*    U 103           H4*      URI 103  90.534 -15.629  -1.433
  383    H3*    U 103           H3*      URI 103  90.077 -16.419   1.432
  384   1H2*    U 103          1H2*      URI 103  91.808 -14.857   2.077
  385   2HO*    U 103          2HO*      URI 103  92.778 -15.342  -0.264
  386    H1*    U 103           H1*      URI 103  90.790 -12.761   0.580
  387    H3     U 103           H3       URI 103  89.706 -12.266   5.007
  388    H5     U 103           H5       URI 103  86.507 -14.336   3.250
  389    H6     U 103           H6       URI 103  87.860 -14.583   1.282
  390   1H5*    A 104          1H5*      ADE 104  93.856 -16.528   1.205
  391   2H5*    A 104          2H5*      ADE 104  94.732 -17.806   2.070
  392    H4*    A 104           H4*      ADE 104  95.246 -15.608   2.967
  393    H3*    A 104           H3*      ADE 104  93.826 -17.524   4.795
  394   1H2*    A 104          1H2*      ADE 104  93.839 -15.862   6.519
  395   2HO*    A 104          2HO*      ADE 104  96.112 -15.206   5.427
  396    H1*    A 104           H1*      ADE 104  93.333 -13.663   4.796
  397    H8     A 104           H8       ADE 104  90.894 -16.118   3.664
  398   1H6     A 104           H61      ADE 104  87.395 -15.452   6.982
  399   2H6     A 104           H62      ADE 104  87.355 -14.629   8.525
  400    H2     A 104           H2       ADE 104  91.452 -12.968   9.232
  401   1H5*    G 105          1H5*      GUA 105  96.515 -17.315   7.601
  402   2H5*    G 105          2H5*      GUA 105  96.532 -18.923   8.349
  403    H4*    G 105           H4*      GUA 105  95.337 -17.116   9.621
  404    H3*    G 105           H3*      GUA 105  93.933 -19.700   8.966
  405   1H2*    G 105          1H2*      GUA 105  92.019 -18.871  10.173
  406   2HO*    G 105          2HO*      GUA 105  93.907 -17.488  11.473
  407    H1*    G 105           H1*      GUA 105  92.164 -16.270   9.106
  408    H8     G 105           H8       GUA 105  92.910 -18.444   6.243
  409    H1     G 105           H1       GUA 105  86.708 -18.559   7.854
  410   1H2     G 105           H21      GUA 105  87.750 -17.013  10.762
  411   2H2     G 105           H22      GUA 105  86.419 -17.649   9.823
  412   1H5*    G 106          1H5*      GUA 106  92.618 -18.775  12.618
  413   2H5*    G 106          2H5*      GUA 106  93.471 -19.875  13.718
  414    H4*    G 106           H4*      GUA 106  91.378 -19.939  14.598
  415    H3*    G 106           H3*      GUA 106  91.514 -22.205  12.626
  416   1H2*    G 106          1H2*      GUA 106  89.221 -22.734  13.173
  417   2HO*    G 106          2HO*      GUA 106  89.810 -21.850  15.497
  418    H1*    G 106           H1*      GUA 106  88.329 -20.097  13.073
  419    H8     G 106           H8       GUA 106  90.936 -20.572  10.406
  420    H1     G 106           H1       GUA 106  85.051 -22.461   8.697
  421   1H2     G 106           H21      GUA 106  84.283 -22.066  12.048
  422   2H2     G 106           H22      GUA 106  83.717 -22.490  10.445
  423   1H5*    C 107          1H5*      CYT 107  90.736 -24.664  16.195
  424   2H5*    C 107          2H5*      CYT 107  91.329 -26.273  15.735
  425    H4*    C 107           H4*      CYT 107  88.830 -26.003  16.001
  426    H3*    C 107           H3*      CYT 107  90.010 -27.190  13.495
  427   1H2*    C 107          1H2*      CYT 107  87.760 -27.514  12.690
  428   2HO*    C 107          2HO*      CYT 107  87.139 -27.871  15.125
  429    H1*    C 107           H1*      CYT 107  86.877 -24.966  13.461
  430   1H4     C 107           H41      CYT 107  90.193 -23.702   7.962
  431   2H4     C 107           H42      CYT 107  88.682 -24.396   7.405
  432    H5     C 107           H5       CYT 107  90.804 -23.629  10.313
  433    H6     C 107           H6       CYT 107  90.166 -24.312  12.552
  434   1H5*    C 108          1H5*      CYT 108  87.011 -30.355  14.760
  435   2H5*    C 108          2H5*      CYT 108  88.016 -31.808  14.587
  436    H4*    C 108           H4*      CYT 108  85.885 -32.032  13.430
  437    H3*    C 108           H3*      CYT 108  88.388 -32.125  11.785
  438   1H2*    C 108          1H2*      CYT 108  87.090 -32.334   9.781
  439   2HO*    C 108          2HO*      CYT 108  85.438 -33.629  11.287
  440    H1*    C 108           H1*      CYT 108  85.156 -30.430  10.473
  441   1H4     C 108           H41      CYT 108  90.257 -26.802   8.494
  442   2H4     C 108           H42      CYT 108  89.375 -27.180   7.033
  443    H5     C 108           H5       CYT 108  89.680 -27.743  10.650
  444    H6     C 108           H6       CYT 108  88.200 -29.258  11.830
  445    H3T    C 108           H3T      CYT 108  87.954 -33.841  13.053
   
  No H/Q in entry =         445