*HEADER   DEOXYRIBONUCLEIC ACID                   12-JUN-97   1AL9    
*TITLE    NMR STUDY OF DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3')         
*TITLE   2 SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A                 
*TITLE   3 BIS-DAUNORUBICIN, MINIMIZED AVERAGE STRUCTURE              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3')           
*COMPND  3 SELF-COMPLEMENTARY DUPLEX;                                 
*COMPND  4 CHAIN: A, B;                                               
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 OTHER_DETAILS: WP631 IS AN INTERCALATOR                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   COMPLEX (DEOXYRIBONUCLEIC ACID/DRUG), BIS-INTERCALATOR,     
*KEYWDS  2 DAUNORUBICIN, DNA, DEOXYRIBONUCLEIC ACID                   
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   H.ROBINSON,A.H.-J.WANG                                      
*REVDAT  1   17-SEP-97 1AL9    0                                      

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 (resid 15 and name H5') (resid 19 and name H2X) 3.03 0.50 0.90
assign
 (resid 15 and name H5') (resid 19 and name H3') 5.14 1.30 1.70
assign
 (resid 15 and name H5') (resid 19 and name H5') 5.23 1.30 1.70
assign
 (resid 15 and name H4') (resid 15 and name H3') 2.53 0.50 0.90
assign
 (resid 15 and name H4') (resid 15 and name H2') 3.68 0.80 1.30
assign
 (resid 15 and name H4') (resid 15 and name H2'') 3.88 0.80 1.30
assign
 (resid 15 and name H4') (resid 15 and name H1') 3.26 0.50 0.90
assign
 (resid 15 and name H4') (resid 15 and name H8) 4.80 1.30 1.70
assign
 (resid 15 and name H4') (resid 16 and name H5'') 4.59 1.30 1.70
assign
 (resid 15 and name H4') (resid 16 and name H5') 3.47 0.50 0.90
assign
 (resid 15 and name H4') (resid 16 and name H4') 5.84 2.00 2.00
assign
 (resid 15 and name H4') (resid 16 and name H6) 5.49 1.30 1.70
assign
 (resid 15 and name H4') (resid 19 and name H7) 3.94 0.80 1.30
assign
 (resid 15 and name H4') (resid 19 and name H8S) 4.86 1.30 1.70
assign
 (resid 15 and name H4') (resid 19 and name H8R) 5.28 1.30 1.70
assign
 (resid 15 and name H4') (resid 19 and name H1') 2.95 0.50 0.90
assign
 (resid 15 and name H4') (resid 19 and name H2E) 4.52 1.30 1.70
assign
 (resid 15 and name H4') (resid 19 and name H2X) 3.35 0.50 0.90
assign
 (resid 15 and name H4') (resid 19 and name H3') 5.02 1.30 1.70
assign
 (resid 15 and name H4') (resid 19 and name H4') 4.89 1.30 1.70
assign
 (resid 15 and name H4') (resid 19 and name H5') 4.33 0.80 1.30
assign
 (resid 15 and name H4') (resid 19 and (name HCA or name HCB or name HCC)) 4.32 0.80 1.30
assign
 (resid 15 and name H3') (resid 15 and name H2') 2.33 0.50 0.90
assign
 (resid 15 and name H3') (resid 15 and name H2'') 2.75 0.50 0.90
assign
 (resid 15 and name H3') (resid 15 and name H1') 3.74 0.80 1.30
assign
 (resid 15 and name H3') (resid 15 and name H8) 4.14 0.80 1.30
assign
 (resid 15 and name H3') (resid 16 and name H5'') 4.44 0.80 1.30
assign
 (resid 15 and name H3') (resid 16 and name H5') 4.32 0.80 1.30
assign
 (resid 15 and name H3') (resid 16 and (name H51 or name H52 or name H53)) 5.62 2.00 2.00
assign
 (resid 15 and name H3') (resid 16 and name H6) 4.95 1.30 1.70
assign
 (resid 15 and name H3') (resid 19 and name H7) 6.22 2.00 2.00
assign
 (resid 15 and name H3') (resid 19 and name H1') 5.13 1.30 1.70
assign
 (resid 15 and name H3') (resid 19 and name H2E) 5.69 2.00 2.00
assign
 (resid 15 and name H3') (resid 19 and name H2X) 5.42 1.30 1.70
assign
 (resid 15 and name H2') (resid 15 and name H1') 2.98 0.50 0.90
assign
 (resid 15 and name H2') (resid 15 and name H8) 2.23 0.50 0.90
assign
 (resid 15 and name H2') (resid 16 and name H5'') 5.73 2.00 2.00
assign
 (resid 15 and name H2') (resid 16 and name H5') 4.72 1.30 1.70
assign
 (resid 15 and name H2') (resid 16 and name H2') 5.52 2.00 2.00
assign
 (resid 15 and name H2') (resid 16 and (name H51 or name H52 or name H53)) 3.85 0.80 1.30
assign
 (resid 15 and name H2') (resid 16 and name H6) 4.02 0.80 1.30
assign
 (resid 15 and name H2') (resid 19 and name H7) 5.07 1.30 1.70
assign
 (resid 15 and name H2') (resid 19 and name H1') 4.54 1.30 1.70
assign
 (resid 15 and name H2') (resid 19 and name H2X) 5.28 1.30 1.70
assign
 (resid 15 and name H2'') (resid 15 and name H1') 2.38 0.50 0.90
assign
 (resid 15 and name H2'') (resid 15 and name H8) 3.46 0.50 0.90
assign
 (resid 15 and name H2'') (resid 16 and name H5'') 4.16 0.80 1.30
assign
 (resid 15 and name H2'') (resid 16 and name H5') 3.64 0.80 1.30
assign
 (resid 15 and name H2'') (resid 16 and name H4') 4.72 1.30 1.70
assign
 (resid 15 and name H2'') (resid 16 and name H3') 4.36 0.80 1.30
assign
 (resid 15 and name H2'') (resid 16 and name H2') 4.07 0.80 1.30
assign
 (resid 15 and name H2'') (resid 16 and name H2'') 5.48 1.30 1.70
assign
 (resid 15 and name H2'') (resid 16 and name H1') 5.29 1.30 1.70
assign
 (resid 15 and name H2'') (resid 16 and (name H51 or name H52 or name H53)) 3.62 0.80 1.30
assign
 (resid 15 and name H2'') (resid 16 and name H6) 2.60 0.50 0.90
assign
 (resid 15 and name H2'') (resid 19 and name H7) 5.24 1.30 1.70
assign
 (resid 15 and name H2'') (resid 19 and name H1') 5.11 1.30 1.70
assign
 (resid 15 and name H1') (resid 15 and name H8) 3.63 0.80 1.30
assign
 (resid 15 and name H1') (resid 16 and name H5'') 4.51 1.30 1.70
assign
 (resid 15 and name H1') (resid 16 and name H5') 2.97 0.50 0.90
assign
 (resid 15 and name H1') (resid 16 and name H4') 4.24 0.80 1.30
assign
 (resid 15 and name H1') (resid 16 and name H3') 4.91 1.30 1.70
assign
 (resid 15 and name H1') (resid 16 and name H2') 4.36 0.80 1.30
assign
 (resid 15 and name H1') (resid 16 and name H2'') 5.64 2.00 2.00
assign
 (resid 15 and name H1') (resid 16 and name H1') 4.53 1.30 1.70
assign
 (resid 15 and name H1') (resid 16 and (name H51 or name H52 or name H53)) 4.66 1.30 1.70
assign
 (resid 15 and name H1') (resid 16 and name H6) 3.09 0.50 0.90
assign
 (resid 15 and name H1') (resid 19 and name H7) 3.14 0.50 0.90
assign
 (resid 15 and name H1') (resid 19 and name H8S) 4.23 0.80 1.30
assign
 (resid 15 and name H1') (resid 19 and name H8R) 4.06 0.80 1.30
assign
 (resid 15 and name H1') (resid 19 and name H1') 3.55 0.80 1.30
assign
 (resid 15 and name H1') (resid 19 and name H2E) 5.65 2.00 2.00
assign
 (resid 15 and name H1') (resid 19 and name H2X) 5.13 1.30 1.70
assign
 (resid 15 and name H1') (resid 19 and name H5') 5.24 1.30 1.70
assign
 (resid 15 and name H8) (resid 16 and (name H51 or name H52 or name H53)) 3.62 0.80 1.30
assign
 (resid 15 and name H8) (resid 16 and name H6) 4.55 1.30 1.70
assign
 (resid 15 and name H8) (resid 19 and name H7) 4.89 1.30 1.70
assign
 (resid 15 and name H8) (resid 19 and name H1') 4.53 1.30 1.70
assign
 (resid 16 and name H5'') (resid 16 and name H4') 2.78 0.50 0.90
assign
 (resid 16 and name H5'') (resid 16 and name H3') 2.64 0.50 0.90
assign
 (resid 16 and name H5'') (resid 16 and name H2') 4.02 0.80 1.30
assign
 (resid 16 and name H5'') (resid 16 and name H2'') 5.29 1.30 1.70
assign
 (resid 16 and name H5'') (resid 16 and name H1') 4.68 1.30 1.70
assign
 (resid 16 and name H5'') (resid 16 and name H6) 4.15 0.80 1.30
assign
 (resid 16 and name H5'') (resid 19 and name H7) 5.57 2.00 2.00
assign
 (resid 16 and name H5'') (resid 19 and name H8S) 5.66 2.00 2.00
assign
 (resid 16 and name H5'') (resid 19 and name H8R) 5.87 2.00 2.00
assign
 (resid 16 and name H5'') (resid 19 and (name HCA or name HCB or name HCC)) 5.19 1.30 1.70
assign
 (resid 16 and name H5') (resid 16 and name H4') 2.39 0.50 0.90
assign
 (resid 16 and name H5') (resid 16 and name H3') 3.59 0.80 1.30
assign
 (resid 16 and name H5') (resid 16 and name H2') 4.13 0.80 1.30
assign
 (resid 16 and name H5') (resid 16 and name H2'') 4.96 1.30 1.70
assign
 (resid 16 and name H5') (resid 16 and name H1') 4.28 0.80 1.30
assign
 (resid 16 and name H5') (resid 16 and name H6) 3.85 0.80 1.30
assign
 (resid 16 and name H5') (resid 19 and name H7) 4.22 0.80 1.30
assign
 (resid 16 and name H5') (resid 19 and name H8S) 4.14 0.80 1.30
assign
 (resid 16 and name H5') (resid 19 and name H8R) 4.21 0.80 1.30
assign
 (resid 16 and name H5') (resid 19 and name H1') 4.66 1.30 1.70
assign
 (resid 16 and name H5') (resid 19 and name H5') 4.88 1.30 1.70
assign
 (resid 16 and name H5') (resid 19 and (name HCA or name HCB or name HCC)) 4.61 1.30 1.70
assign
 (resid 16 and name H4') (resid 16 and name H3') 2.87 0.50 0.90
assign
 (resid 16 and name H4') (resid 16 and name H2') 3.72 0.80 1.30
assign
 (resid 16 and name H4') (resid 16 and name H2'') 3.58 0.80 1.30
assign
 (resid 16 and name H4') (resid 16 and name H1') 2.76 0.50 0.90
assign
 (resid 16 and name H4') (resid 16 and name H6) 4.09 0.80 1.30
assign
 (resid 16 and name H4') (resid 19 and name H7) 5.23 1.30 1.70
assign
 (resid 16 and name H4') (resid 19 and name H8S) 4.63 1.30 1.70
assign
 (resid 16 and name H4') (resid 19 and name H8R) 4.21 0.80 1.30
assign
 (resid 16 and name H4') (resid 19 and (name HBA or name HBB or name HBC)) 5.48 1.30 1.70
assign
 (resid 16 and name H3') (resid 16 and name H2') 2.39 0.50 0.90
assign
 (resid 16 and name H3') (resid 16 and name H2'') 3.02 0.50 0.90
assign
 (resid 16 and name H3') (resid 16 and name H1') 3.85 0.80 1.30
assign
 (resid 16 and name H3') (resid 16 and name H6) 3.58 0.80 1.30
assign
 (resid 16 and name H2') (resid 16 and name H1') 3.07 0.50 0.90
assign
 (resid 16 and name H2') (resid 16 and (name H51 or name H52 or name H53)) 4.84 1.30 1.70
assign
 (resid 16 and name H2') (resid 16 and name H6) 2.19 0.30 0.50
assign
 (resid 16 and name H2'') (resid 16 and name H1') 2.34 0.50 0.90
assign
 (resid 16 and name H2'') (resid 16 and (name H51 or name H52 or name H53)) 6.18 2.00 2.00
assign
 (resid 16 and name H2'') (resid 16 and name H6) 3.80 0.80 1.30
assign
 (resid 16 and name H1') (resid 16 and name H6) 3.54 0.80 1.30
assign
 (resid 16 and name H1') (resid 19 and name H8R) 4.53 1.30 1.70
assign
 (resid 16 and (name H51 or name H52 or name H53))
 (resid 16 and name H6) 3.06 0.50 0.90
assign
 (resid 16 and name H6) (resid 19 and name H7) 5.14 1.30 1.70
assign
 (resid 19 and name H1) (resid 19 and name H2) 2.34 0.50 0.90
assign
 (resid 19 and name H1) (resid 19 and name H3) 4.24 0.80 1.30
assign
 (resid 19 and name H2) (resid 19 and name H3) 2.34 0.50 0.90
assign
 (resid 19 and name H2) (resid 19 and (name HAA or name HAB or name HAC)) 4.82 1.30 1.70
assign
 (resid 19 and name H3) (resid 19 and (name HAA or name HAB or name HAC)) 2.68 0.50 0.90
assign
 (resid 19 and name H7) (resid 19 and name H8S) 2.55 0.50 0.90
assign
 (resid 19 and name H7) (resid 19 and name H8R) 2.35 0.50 0.90
assign
 (resid 19 and name H7) (resid 19 and (name HBA or name HBB or name HBC)) 5.48 1.30 1.70
assign
 (resid 19 and name H7) (resid 19 and name HAR) 4.30 0.80 1.30
assign
 (resid 19 and name H7) (resid 19 and name HAS) 4.19 0.80 1.30
assign
 (resid 19 and name H7) (resid 19 and name H1') 2.00 0.30 0.50
assign
 (resid 19 and name H7) (resid 19 and name H2E) 4.04 0.80 1.30
assign
 (resid 19 and name H7) (resid 19 and name H2X) 4.11 0.80 1.30
assign
 (resid 19 and name H7) (resid 19 and name H3') 4.31 0.80 1.30
assign
 (resid 19 and name H7) (resid 19 and name H4') 4.96 1.30 1.70
assign
 (resid 19 and name H7) (resid 19 and name H5') 3.40 0.50 0.90
assign
 (resid 19 and name H7) (resid 19 and (name HCA or name HCB or name HCC)) 4.92 1.30 1.70
assign
 (resid 19 and name H8S) (resid 19 and name H8R) 1.85 0.30 0.50
assign
 (resid 19 and name H8S) (resid 19 and (name HBA or name HBB or name HBC)) 3.23 0.50 0.90
assign
 (resid 19 and name H8S) (resid 19 and name HAR) 3.84 0.80 1.30
assign
 (resid 19 and name H8S) (resid 19 and name HAS) 3.88 0.80 1.30
assign
 (resid 19 and name H8S) (resid 19 and name H1') 3.81 0.80 1.30
assign
 (resid 19 and name H8S) (resid 19 and name H2E) 5.06 1.30 1.70
assign
 (resid 19 and name H8S) (resid 19 and name H2X) 5.43 1.30 1.70
assign
 (resid 19 and name H8S) (resid 19 and name H3') 4.45 0.80 1.30
assign
 (resid 19 and name H8S) (resid 19 and name H4') 4.41 0.80 1.30
assign
 (resid 19 and name H8S) (resid 19 and name H5') 2.32 0.50 0.90
assign
 (resid 19 and name H8S) (resid 19 and (name HCA or name HCB or name HCC)) 3.63 0.80 1.30
assign
 (resid 19 and name H8R) (resid 19 and (name HBA or name HBB or name HBC)) 3.93 0.80 1.30
assign
 (resid 19 and name H8R) (resid 19 and name HAR) 3.56 0.80 1.30
assign
 (resid 19 and name H8R) (resid 19 and name HAS) 2.88 0.50 0.90
assign
 (resid 19 and name H8R) (resid 19 and name H1') 4.19 0.80 1.30
assign
 (resid 19 and name H8R) (resid 19 and name H2E) 6.15 2.00 2.00
assign
 (resid 19 and name H8R) (resid 19 and name H2X) 5.80 2.00 2.00
assign
 (resid 19 and name H8R) (resid 19 and name H3') 5.39 1.30 1.70
assign
 (resid 19 and name H8R) (resid 19 and name H4') 5.76 2.00 2.00
assign
 (resid 19 and name H8R) (resid 19 and name H5') 3.91 0.80 1.30
assign
 (resid 19 and name H8R) (resid 19 and (name HCA or name HCB or name HCC)) 4.96 1.30 1.70
assign
 (resid 19 and (name HBA or name HBB or name HBC))
 (resid 19 and name HAR) 4.67 1.30 1.70
assign
 (resid 19 and (name HBA or name HBB or name HBC))
 (resid 19 and name HAS) 4.42 0.80 1.30
assign
 (resid 19 and (name HBA or name HBB or name HBC))
 (resid 19 and name H5') 4.25 0.80 1.30
assign
 (resid 19 and (name HBA or name HBB or name HBC))
 (resid 19 and (name HCA or name HCB or name HCC)) 4.69 1.30 1.70
assign
 (resid 19 and name HAR) (resid 19 and name HAS) 1.75 0.30 0.50
assign
 (resid 19 and name HAR) (resid 19 and name H5') 4.71 1.30 1.70
assign
 (resid 19 and name HAS) (resid 19 and name H1') 5.36 1.30 1.70
assign
 (resid 19 and name HAS) (resid 19 and name H5') 5.23 1.30 1.70
assign
 (resid 19 and name H1') (resid 19 and name H2E) 2.39 0.50 0.90
assign
 (resid 19 and name H1') (resid 19 and name H2X) 2.37 0.50 0.90
assign
 (resid 19 and name H1') (resid 19 and name H3') 3.62 0.80 1.30
assign
 (resid 19 and name H1') (resid 19 and name H4') 4.32 0.80 1.30
assign
 (resid 19 and name H1') (resid 19 and name H5') 3.44 0.50 0.90
assign
 (resid 19 and name H1') (resid 19 and (name HCA or name HCB or name HCC)) 4.77 1.30 1.70
assign
 (resid 19 and name H1') (resid 20 and name H2) 4.99 1.30 1.70
assign
 (resid 19 and name H1') (resid 20 and name HM1) 6.25 2.00 2.00
assign
 (resid 19 and name H1') (resid 20 and name HM2) 5.35 1.30 1.70
assign
 (resid 19 and name H2E) (resid 19 and name H2X) 1.86 0.30 0.50
assign
 (resid 19 and name H2E) (resid 19 and name H3') 2.56 0.50 0.90
assign
 (resid 19 and name H2E) (resid 19 and name H4') 4.04 0.80 1.30
assign
 (resid 19 and name H2E) (resid 19 and name H5') 3.97 0.80 1.30
assign
 (resid 19 and name H2E) (resid 19 and (name HCA or name HCB or name HCC)) 5.82 2.00 2.00
assign
 (resid 19 and name H2E) (resid 20 and name H2) 3.24 0.50 0.90
assign
 (resid 19 and name H2E) (resid 20 and name HM1) 4.28 0.80 1.30
assign
 (resid 19 and name H2E) (resid 20 and name HM2) 3.92 0.80 1.30
assign
 (resid 19 and name H2X) (resid 19 and name H3') 3.10 0.50 0.90
assign
 (resid 19 and name H2X) (resid 19 and name H4') 3.59 0.80 1.30
assign
 (resid 19 and name H2X) (resid 19 and name H5') 3.71 0.80 1.30
assign
 (resid 19 and name H2X) (resid 19 and (name HCA or name HCB or name HCC)) 5.04 1.30 1.70
assign
 (resid 19 and name H2X) (resid 20 and name H2) 3.98 0.80 1.30
assign
 (resid 19 and name H2X) (resid 20 and name HM1) 4.14 0.80 1.30
assign
 (resid 19 and name H2X) (resid 20 and name HM2) 4.10 0.80 1.30
assign
 (resid 19 and name H3') (resid 19 and name H4') 2.37 0.50 0.90
assign
 (resid 19 and name H3') (resid 19 and name H5') 2.50 0.50 0.90
assign
 (resid 19 and name H3') (resid 19 and (name HCA or name HCB or name HCC)) 4.88 1.30 1.70
assign
 (resid 19 and name H3') (resid 20 and name H2) 3.64 0.80 1.30
assign
 (resid 19 and name H3') (resid 20 and name H3) 4.62 1.30 1.70
assign
 (resid 19 and name H3') (resid 20 and name HM1) 3.07 0.50 0.90
assign
 (resid 19 and name H3') (resid 20 and name HM2) 2.53 0.50 0.90
assign
 (resid 19 and name H4') (resid 19 and name H5') 2.27 0.50 0.90
assign
 (resid 19 and name H4') (resid 19 and (name HCA or name HCB or name HCC)) 3.06 0.50 0.90
assign
 (resid 19 and name H4') (resid 20 and name H2) 4.74 1.30 1.70
assign
 (resid 19 and name H4') (resid 20 and name H3) 4.52 1.30 1.70
assign
 (resid 19 and name H4') (resid 20 and name HM1) 2.56 0.50 0.90
assign
 (resid 19 and name H4') (resid 20 and name HM2) 2.50 0.50 0.90
assign
 (resid 19 and name H5') (resid 19 and (name HCA or name HCB or name HCC)) 2.86 0.50 0.90
assign
 (resid 19 and name H5') (resid 20 and name HM1) 4.31 0.80 1.30
assign
 (resid 19 and name H5') (resid 20 and name HM2) 3.88 0.80 1.30
assign
 (resid 19 and (name HCA or name HCB or name HCC))
 (resid 20 and name HM1) 5.03 1.30 1.70
assign
 (resid 19 and (name HCA or name HCB or name HCC))
 (resid 20 and name HM2) 5.71 2.00 2.00
assign
 (resid 20 and name H2) (resid 20 and name H3) 4.15 0.80 1.30
assign
 (resid 20 and name H2) (resid 20 and name HM1) 3.49 0.50 0.90
assign
 (resid 20 and name H2) (resid 20 and name HM2) 3.51 0.80 1.30
assign
 (resid 20 and name H3) (resid 20 and name HM1) 2.78 0.50 0.90
assign
 (resid 20 and name H3) (resid 20 and name HM2) 2.58 0.50 0.90
assign
 (resid 20 and name HM1) (resid 20 and name HM2) 1.74 0.30 0.50

  Entry H atom name         Submitted Coord H atom name
    1   2H5*    A   1          2H5'      ADE   1   7.276  21.144  30.210
    2    H4*    A   1           H4'      ADE   1   9.548  21.129  28.904
    3    H3*    A   1           H3'      ADE   1   7.085  20.411  27.628
    4   1H2*    A   1           H2'      ADE   1   8.059  18.566  26.643
    5   2H2*    A   1          2H2'      ADE   1   9.256  19.610  25.829
    6    H1*    A   1           H1'      ADE   1  11.008  19.036  27.426
    7    H8     A   1           H8       ADE   1   8.036  16.543  28.067
    8   1H6     A   1           H61      ADE   1  10.836  12.529  28.193
    9   2H6     A   1           H62      ADE   1  12.580  12.338  28.039
   10    H2     A   1           H2       ADE   1  14.429  16.305  27.458
   11    H5T    A   1           H5T      ADE   1   6.447  19.056  30.814
   12    H5T    A   1           H5T      ADE   1   6.447  19.056  30.814
   13   2H5*    C   2          2H5'      CYT   2  10.768  23.579  25.091
   14    H4*    C   2           H4'      CYT   2  12.475  21.719  25.101
   15    H3*    C   2           H3'      CYT   2  10.986  21.809  22.511
   16   1H2*    C   2           H2'      CYT   2  11.069  19.544  22.447
   17   2H2*    C   2          2H2'      CYT   2  12.825  19.606  22.233
   18    H1*    C   2           H1'      CYT   2  13.189  19.279  24.556
   19   1H4     C   2           H41      CYT   2  11.470  13.251  24.693
   20   2H4     C   2           H42      CYT   2   9.764  13.618  24.474
   21    H5     C   2           H5       CYT   2   9.013  15.892  24.073
   22    H6     C   2           H6       CYT   2   9.755  18.290  23.829
   23    H5T    C   2           H5'      CYT   2  10.601  22.299  26.230
   24   2H5*    G   3          2H5'      GUA   3  15.930  21.865  22.130
   25    H4*    G   3           H4'      GUA   3  17.565  20.229  20.971
   26    H3*    G   3           H3'      GUA   3  16.348  22.193  19.489
   27   1H2*    G   3           H2'      GUA   3  14.911  20.809  18.444
   28   2H2*    G   3          2H2'      GUA   3  16.296  20.413  17.305
   29    H1*    G   3           H1'      GUA   3  16.804  18.369  18.564
   30    H8     G   3           H8       GUA   3  12.994  19.649  18.749
   31    H1     G   3           H1       GUA   3  13.609  13.328  18.118
   32   1H2     G   3           H21      GUA   3  15.788  12.781  18.195
   33   2H2     G   3           H22      GUA   3  17.064  13.987  18.064
   34    H5T    G   3           H5'      GUA   3  15.510  20.227  22.330
   35   1H5*    T   4           H5'      THY   4  19.475  19.868  18.676
   36   2H5*    T   4          2H5'      THY   4  20.936  20.230  17.723
   37    H4*    T   4           H4'      THY   4  20.480  17.679  18.020
   38    H1*    T   4           H1'      THY   4  18.698  15.847  17.036
   39    H3     T   4           H3       THY   4  15.085  14.152  15.134
   40    H6     T   4           H6       THY   4  16.918  18.526  15.653
   41   1H5M    T   4           H51      THY   4  14.599  19.311  14.322
   42   2H5M    T   4           H52      THY   4  14.234  19.254  16.061
   43   3H5M    T   4           H53      THY   4  13.187  18.392  14.919
   44    H3*    T   4           H3'      THY   4  20.826  18.848  15.441
   45   1H2*    T   4           H2'      THY   4  18.894  17.770  14.600
   46   2H2*    T   4          2H2'      THY   4  19.746  16.199  14.819
   47   2H5*    A   5          2H5'      ADE   5  23.378  14.519  15.177
   48    H4*    A   5           H4'      ADE   5  22.645  12.769  13.659
   49    H3*    A   5           H3'      ADE   5  24.065  14.790  12.581
   50   1H2*    A   5           H2'      ADE   5  22.071  16.149  12.514
   51   2H2*    A   5          2H2'      ADE   5  22.372  15.777  10.783
   52    H1*    A   5           H1'      ADE   5  20.915  13.839  10.990
   53    H8     A   5           H8       ADE   5  20.107  17.292  11.787
   54   1H6     A   5           H61      ADE   5  15.167  17.025  11.583
   55   2H6     A   5           H62      ADE   5  14.081  15.659  11.695
   56    H2     A   5           H2       ADE   5  16.604  11.958  11.504
   57    H5T    A   5           H5'      ADE   5  21.681  14.201  15.317
   58   2H5*    C   6          2H5'      CYT   6  23.237  11.370   8.123
   59    H4*    C   6           H4'      CYT   6  20.796  10.555   7.534
   60    H3*    C   6           H3'      CYT   6  22.479  12.457   6.097
   61   1H2*    C   6           H2'      CYT   6  21.283  14.283   6.690
   62   2H2*    C   6          2H2'      CYT   6  20.258  13.778   5.328
   63    H1*    C   6           H1'      CYT   6  18.748  12.513   6.666
   64   1H4     C   6           H41      CYT   6  15.400  17.278   8.917
   65   2H4     C   6           H42      CYT   6  16.768  18.371   9.062
   66    H5     C   6           H5       CYT   6  19.027  17.615   8.489
   67    H6     C   6           H6       CYT   6  20.405  15.688   7.899
   68    H5T    C   6           H5'      CYT   6  22.254  11.187   9.557
   69   2H5*    G   7          2H5'      GUA   7  19.841   8.224   5.765
   70    H4*    G   7           H4'      GUA   7  17.842   7.589   4.702
   71    H3*    G   7           H3'      GUA   7  19.726   7.318   2.955
   72   1H2*    G   7           H2'      GUA   7  19.413   9.377   1.959
   73   2H2*    G   7          2H2'      GUA   7  18.191   8.467   0.947
   74    H1*    G   7           H1'      GUA   7  16.415   9.173   2.405
   75    H8     G   7           H8       GUA   7  19.399  11.627   2.255
   76    H1     G   7           H1       GUA   7  13.574  14.239   1.981
   77   1H2     G   7           H21      GUA   7  12.030  12.635   2.074
   78   2H2     G   7           H22      GUA   7  12.436  10.920   2.007
   79    H5T    G   7           H5'      GUA   7  19.311   9.752   5.086
   80   1H5*    T   8           H5'      THY   8  15.367   6.833   2.341
   81   2H5*    T   8          2H5'      THY   8  15.297   5.308   1.448
   82    H4*    T   8           H4'      THY   8  13.167   6.846   1.254
   83    H1*    T   8           H1'      THY   8  12.726   9.132  -0.441
   84    H3     T   8           H3       THY   8  14.226  13.387  -1.215
   85    H6     T   8           H6       THY   8  16.346   9.153  -0.610
   86   1H5M    T   8           H51      THY   8  18.379  10.345  -1.896
   87   2H5M    T   8           H52      THY   8  18.505  10.529  -0.134
   88   3H5M    T   8           H53      THY   8  18.649  11.970  -1.183
   89    H3*    T   8           H3'      THY   8  14.617   5.803  -0.990
   90   1H2*    T   8           H2'      THY   8  15.133   7.853  -1.816
   91   2H2*    T   8          2H2'      THY   8  13.436   7.992  -2.405
   92    H3T    T   8           H3T      THY   8  11.926   6.890  -0.834
   93   2H5*    A   9          2H5'      ADE   9   7.042  20.999  -3.409
   94    H4*    A   9           H4'      ADE   9   7.060  18.722  -2.111
   95    H3*    A   9           H3'      ADE   9   7.780  21.182  -0.829
   96   1H2*    A   9           H2'      ADE   9   9.628  20.205   0.149
   97   2H2*    A   9          2H2'      ADE   9   8.587  19.005   0.961
   98    H1*    A   9           H1'      ADE   9   9.159  17.258  -0.643
   99    H8     A   9           H8       ADE   9  11.648  20.233  -1.280
  100   1H6     A   9           H61      ADE   9  15.663  17.435  -1.424
  101   2H6     A   9           H62      ADE   9  15.854  15.691  -1.276
  102    H2     A   9           H2       ADE   9  11.889  13.839  -0.691
  103    H5T    A   9           H5T      ADE   9   9.128  21.830  -4.015
  104    H5T    A   9           H5T      ADE   9   9.128  21.830  -4.015
  105   2H5*    C  10          2H5'      CYT  10   4.621  17.489   1.704
  106    H4*    C  10           H4'      CYT  10   6.481  15.782   1.684
  107    H3*    C  10           H3'      CYT  10   6.396  17.263   4.279
  108   1H2*    C  10           H2'      CYT  10   8.661  17.181   4.338
  109   2H2*    C  10          2H2'      CYT  10   8.600  15.424   4.546
  110    H1*    C  10           H1'      CYT  10   8.922  15.068   2.222
  111   1H4     C  10           H41      CYT  10  14.948  16.790   2.075
  112   2H4     C  10           H42      CYT  10  14.582  18.495   2.301
  113    H5     C  10           H5       CYT  10  12.309  19.243   2.709
  114    H6     C  10           H6       CYT  10   9.912  18.500   2.957
  115    H5T    C  10           H5'      CYT  10   5.897  17.660   0.563
  116   2H5*    G  11          2H5'      GUA  11   6.346  12.318   4.644
  117    H4*    G  11           H4'      GUA  11   7.983  10.680   5.794
  118    H3*    G  11           H3'      GUA  11   6.023  11.893   7.284
  119   1H2*    G  11           H2'      GUA  11   7.407  13.324   8.328
  120   2H2*    G  11          2H2'      GUA  11   7.808  11.937   9.464
  121    H1*    G  11           H1'      GUA  11   9.848  11.434   8.197
  122    H8     G  11           H8       GUA  11   8.565  15.243   8.030
  123    H1     G  11           H1       GUA  11  14.888  14.629   8.644
  124   1H2     G  11           H21      GUA  11  15.435  12.451   8.559
  125   2H2     G  11           H22      GUA  11  14.230  11.173   8.688
  126    H5T    G  11           H5'      GUA  11   7.981  12.740   4.442
  127   1H5*    T  12           H5'      THY  12   8.340   8.720   8.060
  128   2H5*    T  12          2H5'      THY  12   7.990   7.291   9.041
  129    H4*    T  12           H4'      THY  12  10.542   7.754   8.729
  130    H1*    T  12           H1'      THY  12  12.382   9.514   9.713
  131    H3     T  12           H3       THY  12  14.071  13.143  11.625
  132    H6     T  12           H6       THY  12   9.697  11.308  11.095
  133   1H5M    T  12           H51      THY  12   8.911  13.661  12.474
  134   2H5M    T  12           H52      THY  12   8.955  14.035  10.737
  135   3H5M    T  12           H53      THY  12   9.830  15.062  11.879
  136    H3*    T  12           H3'      THY  12   9.380   7.384  11.308
  137   1H2*    T  12           H2'      THY  12  10.455   9.339  12.133
  138   2H2*    T  12          2H2'      THY  12  12.030   8.469  11.917
  139   2H5*    A  13          2H5'      ADE  13  13.707   4.851  11.555
  140    H4*    A  13           H4'      ADE  13  15.459   5.582  13.061
  141    H3*    A  13           H3'      ADE  13  13.443   4.155  14.150
  142   1H2*    A  13           H2'      ADE  13  12.084   6.147  14.227
  143   2H2*    A  13          2H2'      ADE  13  12.463   5.837  15.957
  144    H1*    A  13           H1'      ADE  13  14.397   7.299  15.750
  145    H8     A  13           H8       ADE  13  10.946   8.101  14.984
  146   1H6     A  13           H61      ADE  13  11.207  13.049  15.182
  147   2H6     A  13           H62      ADE  13  12.572  14.135  15.070
  148    H2     A  13           H2       ADE  13  16.269  11.612  15.246
  149    H5T    A  13           H5'      ADE  13  14.023   6.551  11.420
  150   2H5*    C  14          2H5'      CYT  14  16.874   4.969  18.603
  151    H4*    C  14           H4'      CYT  14  17.688   7.409  19.198
  152    H3*    C  14           H3'      CYT  14  15.791   5.720  20.633
  153   1H2*    C  14           H2'      CYT  14  13.963   6.917  20.050
  154   2H2*    C  14          2H2'      CYT  14  14.472   7.939  21.413
  155    H1*    C  14           H1'      CYT  14  15.734   9.453  20.076
  156   1H4     C  14           H41      CYT  14  10.960  12.806  17.847
  157   2H4     C  14           H42      CYT  14   9.868  11.439  17.701
  158    H5     C  14           H5       CYT  14  10.625   9.181  18.267
  159    H6     C  14           H6       CYT  14  12.557   7.799  18.847
  160    H5T    C  14           H5'      CYT  14  17.053   5.958  17.172
  161   2H5*    G  15          2H5'      GUA  15  20.032   8.345  20.965
  162    H4*    G  15           H4'      GUA  15  20.668  10.346  22.007
  163    H3*    G  15           H3'      GUA  15  20.922   8.444  23.797
  164   1H2*    G  15           H2'      GUA  15  18.878   8.770  24.774
  165   2H2*    G  15          2H2'      GUA  15  19.793   9.989  25.789
  166    H1*    G  15           H1'      GUA  15  19.039  11.763  24.411
  167    H8     G  15           H8       GUA  15  16.627   8.786  24.483
  168    H1     G  15           H1       GUA  15  14.016  14.612  24.783
  169   1H2     G  15           H21      GUA  15  15.619  16.156  24.690
  170   2H2     G  15           H22      GUA  15  17.334  15.750  24.752
  171    H5T    G  15           H5'      GUA  15  18.502   8.875  21.606
  172   1H5*    T  16           H5'      THY  16  21.485  12.853  24.368
  173   2H5*    T  16          2H5'      THY  16  22.975  12.910  25.285
  174    H4*    T  16           H4'      THY  16  21.406  15.030  25.507
  175    H1*    T  16           H1'      THY  16  19.142  15.467  27.193
  176    H3     T  16           H3       THY  16  14.876  13.952  27.972
  177    H6     T  16           H6       THY  16  19.108  11.828  27.352
  178   1H5M    T  16           H51      THY  16  17.847   9.749  28.691
  179   2H5M    T  16           H52      THY  16  17.668   9.609  26.925
  180   3H5M    T  16           H53      THY  16  16.239   9.509  27.981
  181    H3*    T  16           H3'      THY  16  22.493  13.594  27.731
  182   1H2*    T  16           H2'      THY  16  20.415  13.043  28.560
  183   2H2*    T  16          2H2'      THY  16  20.274  14.736  29.155
  184    H3T    T  16           H3T      THY  16  21.365  16.255  27.586
  185    H1   DM1  17           H1       DM1  17  14.498  19.207   5.622
  186    H2   DM1  17           H2       DM1  17  16.584  20.457   5.738
  187    H3   DM1  17           H3       DM1  17  18.728  19.330   5.506
  188    HO8  DM1  17           H6       DM1  17  17.123  12.552   4.317
  189    H10  DM1  17           H7       DM1  17  15.128  10.481   4.661
  190   1H11  DM1  17           H8S      DM1  17  13.224   9.003   5.406
  191   2H11  DM1  17           H8R      DM1  17  13.002  10.028   3.945
  192   2HO1  DM1  17           H9       DM1  17  12.075  11.265   7.538
  193   1H14  DM1  17           HBA      DM1  17  10.423   8.147   6.531
  194   2H14  DM1  17           HBB      DM1  17  11.226   7.785   4.972
  195   3H14  DM1  17           HBC      DM1  17   9.474   8.049   5.033
  196   1H15  DM1  17           HAR      DM1  17  11.013  12.578   5.961
  197   2H15  DM1  17           HAS      DM1  17  11.330  12.191   4.310
  198   7HO1  DM1  17           H11      DM1  17  11.978  15.896   5.326
  199   1H21  DM1  17           HAA      DM1  17  20.451  17.763   6.119
  200   2H21  DM1  17           HAB      DM1  17  20.385  18.237   4.398
  201   3H21  DM1  17           HAC      DM1  17  21.108  16.689   4.869
  202    H1*  DM1  17           H1'      DM1  17  16.788  10.171   5.708
  203   1H2*  DM1  17           H2E      DM1  17  17.431  10.730   7.943
  204   2H2*  DM1  17           H2X      DM1  17  17.996   9.077   7.545
  205    H3*  DM1  17           H3'      DM1  17  15.446   9.642   9.027
  206   1HN*  DM1  17           HN1      DM1  17  17.262  10.229  10.062
  207   2HN*  DM1  17           HN2      DM1  17  18.136   8.805   9.728
  208    H4*  DM1  17           H4'      DM1  17  15.246   7.328   9.191
  209   *HO4  DM1  17           H4O      DM1  17  17.581   6.975   7.632
  210    H5*  DM1  17           H5'      DM1  17  14.326   8.359   7.317
  211   1H6*  DM1  17           HCA      DM1  17  15.598   5.651   6.421
  212   2H6*  DM1  17           HCB      DM1  17  14.157   6.354   5.700
  213   3H6*  DM1  17           HCC      DM1  17  14.112   5.766   7.371
  214    H2   MEB  18           H2       MEB  18  18.832  10.451  11.041
  215    H3   MEB  18           H3       MEB  18  16.595   8.227  13.781
  216   1H1'  MEB  18           HM1      MEB  18  16.940   7.555  11.130
  217   2H1'  MEB  18           HM2      MEB  18  15.694   8.733  11.346
  218    H1   DM1  19           H1       DM1  19   9.038  13.698  21.150
  219    H2   DM1  19           H2       DM1  19   7.789  11.612  21.031
  220    H3   DM1  19           H3       DM1  19   8.918   9.467  21.253
  221    HO8  DM1  19           H6       DM1  19  15.698  11.071  22.431
  222    H10  DM1  19           H7       DM1  19  17.768  13.068  22.088
  223   1H11  DM1  19           H8S      DM1  19  19.244  14.975  21.346
  224   2H11  DM1  19           H8R      DM1  19  18.221  15.192  22.810
  225   2HO1  DM1  19           H9       DM1  19  16.977  16.131  19.223
  226   1H14  DM1  19           HBA      DM1  19  20.108  17.804  20.241
  227   2H14  DM1  19           HBB      DM1  19  20.472  16.995  21.798
  228   3H14  DM1  19           HBC      DM1  19  20.198  18.741  21.742
  229   1H15  DM1  19           HAR      DM1  19  15.664  17.180  20.787
  230   2H15  DM1  19           HAS      DM1  19  16.055  16.868  22.449
  231   7HO1  DM1  19           H11      DM1  19  12.350  16.218  21.447
  232   1H21  DM1  19           HAA      DM1  19  10.485   7.746  20.630
  233   2H21  DM1  19           HAB      DM1  19  10.014   7.807  22.353
  234   3H21  DM1  19           HAC      DM1  19  11.562   7.086  21.876
  235    H1*  DM1  19           H1'      DM1  19  18.076  11.400  21.033
  236   1H2*  DM1  19           H2E      DM1  19  17.512  10.774  18.802
  237   2H2*  DM1  19           H2X      DM1  19  19.167  10.209  19.197
  238    H3*  DM1  19           H3'      DM1  19  18.582  12.743  17.697
  239   1HN*  DM1  19           HN1      DM1  19  18.010  10.949  16.680
  240   2HN*  DM1  19           HN2      DM1  19  19.434  10.073  17.009
  241    H4*  DM1  19           H4'      DM1  19  20.909  12.961  17.547
  242   *HO4  DM1  19           H4O      DM1  19  21.268  10.626  19.101
  243    H5*  DM1  19           H5'      DM1  19  19.882  13.880  19.429
  244   1H6*  DM1  19           HCA      DM1  19  22.624  12.631  20.283
  245   2H6*  DM1  19           HCB      DM1  19  21.924  14.071  21.013
  246   3H6*  DM1  19           HCC      DM1  19  22.489  14.110  19.341
  247    H2   MEB  20           H2       MEB  20  17.783   9.383  15.697
  248    H3   MEB  20           H3       MEB  20  20.000  11.631  12.958
  249   1H1'  MEB  20           HM1      MEB  20  20.682  11.275  15.606
  250   2H1'  MEB  20           HM2      MEB  20  19.511  12.525  15.400
   
  No H/Q in entry =         250