*HEADER   DEOXYRIBONUCLEIC ACID                   13-FEB-96   1TNE    
*TITLE    NMR STUDY OF Z-DNA AT PHYSIOLOGICAL SALT CONDITIONS,        
*TITLE   2 MINIMIZED AVERAGE STRUCTURE                                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA (5'-D(*CP*GP*CP*XP*CP*G)-3')                 
*COMPND  3 SELF-COMPLEMENTARY DUPLEX WHERE X IS (8-METHYL)GUANINE;    
*COMPND  4 CHAIN: A, B;                                               
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   Z-DNA                                                       
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   H.ROBINSON,A.H.-J.WANG,H.SUGIYAMA,K.KAWAI,A.MATSUNAGA,      
*AUTHOR  2 K.FUJIMOTO,I.SAITO                                         
*REVDAT  1   11-JUL-96 1TNE    0                                      


REMARK molecule=gsif1rm60
REMARK Xplor noe restraint assignments
REMARK DATE:14-Oct-95  12:02:31       created by user: howw

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 (resid 9 and name H4') (resid 9 and name H3') 2.72 0.50 0.90
assign
 (resid 9 and name H4') (resid 9 and name H2') 3.62 0.80 1.30
assign
 (resid 9 and name H4') (resid 9 and name H2'') 4.14 0.80 1.30
assign
 (resid 9 and name H4') (resid 9 and name H1') 3.08 0.50 0.90
assign
 (resid 9 and name H4') (resid 9 and name H6) 4.02 0.80 1.30
assign
 (resid 9 and name H4') (resid 10 and name H5'') 2.43 0.50 0.90
assign
 (resid 9 and name H4') (resid 10 and name H5') 3.82 0.80 1.30
assign
 (resid 9 and name H4') (resid 10 and name H4') 3.57 0.80 1.30
assign
 (resid 9 and name H4') (resid 10 and name H3') 3.74 0.80 1.30
assign
 (resid 9 and name H4') (resid 10 and name H2') 4.91 1.30 1.70
assign
 (resid 9 and name H4') (resid 10 and name H2'') 5.18 1.30 1.70
assign
 (resid 9 and name H4') (resid 10 and name H1') 3.99 0.80 1.30
assign
 (resid 9 and name H4') (resid 10 and (name HAA or name HAB or name HAC)) 5.61 2.00 2.00
assign
 (resid 9 and name H4') (resid 11 and name H2') 5.46 1.30 1.70
assign
 (resid 9 and name H3') (resid 9 and name H2') 2.41 0.50 0.90
assign
 (resid 9 and name H3') (resid 9 and name H2'') 2.79 0.50 0.90
assign
 (resid 9 and name H3') (resid 9 and name H1') 3.63 0.80 1.30
assign
 (resid 9 and name H3') (resid 9 and name H6) 4.51 1.30 1.70
assign
 (resid 9 and name H3') (resid 10 and name H5'') 4.12 0.80 1.30
assign
 (resid 9 and name H3') (resid 10 and name H5') 4.96 1.30 1.70
assign
 (resid 9 and name H3') (resid 10 and name H4') 5.17 1.30 1.70
assign
 (resid 9 and name H3') (resid 10 and name H3') 5.67 2.00 2.00
assign
 (resid 9 and name H2') (resid 9 and name H1') 2.96 0.50 0.90
assign
 (resid 9 and name H2') (resid 9 and name H5) 5.46 1.30 1.70
assign
 (resid 9 and name H2') (resid 9 and name H6) 2.90 0.50 0.90
assign
 (resid 9 and name H2') (resid 10 and name H5'') 5.71 2.00 2.00
assign
 (resid 9 and name H2') (resid 10 and name H5') 6.78 2.00 2.00
assign
 (resid 9 and name H2'') (resid 9 and name H1') 2.33 0.50 0.90
assign
 (resid 9 and name H2'') (resid 9 and name H5) 6.11 2.00 2.00
assign
 (resid 9 and name H2'') (resid 9 and name H6) 3.93 0.80 1.30
assign
 (resid 9 and name H2'') (resid 10 and name H5'') 5.13 1.30 1.70
assign
 (resid 9 and name H2'') (resid 10 and name H5') 6.17 2.00 2.00
assign
 (resid 9 and name H1') (resid 9 and name H5) 5.31 1.30 1.70
assign
 (resid 9 and name H1') (resid 9 and name H6) 3.40 0.50 0.90
assign
 (resid 9 and name H1') (resid 10 and name H5'') 3.84 0.80 1.30
assign
 (resid 9 and name H1') (resid 10 and name H5') 5.17 1.30 1.70
assign
 (resid 9 and name H1') (resid 10 and name H3') 5.13 1.30 1.70
assign
 (resid 9 and name H5) (resid 9 and name H6) 2.51 0.50 0.90
assign
 (resid 10 and name H5'') (resid 10 and name H4') 2.97 0.50 0.90
assign
 (resid 10 and name H5'') (resid 10 and name H3') 2.35 0.50 0.90
assign
 (resid 10 and name H5'') (resid 10 and name H2') 4.40 0.80 1.30
assign
 (resid 10 and name H5'') (resid 10 and name H2'') 4.60 1.30 1.70
assign
 (resid 10 and name H5'') (resid 10 and name H1') 4.58 1.30 1.70
assign
 (resid 10 and name H5'') (resid 11 and name H3') 4.99 1.30 1.70
assign
 (resid 10 and name H5'') (resid 11 and name H2') 3.98 0.80 1.30
assign
 (resid 10 and name H5'') (resid 11 and name H2'') 5.08 1.30 1.70
assign
 (resid 10 and name H5'') (resid 11 and name H5) 5.50 2.00 2.00
assign
 (resid 10 and name H5'') (resid 11 and name H6) 5.43 1.30 1.70
assign
 (resid 10 and name H5') (resid 10 and name H4') 2.43 0.50 0.90
assign
 (resid 10 and name H5') (resid 10 and name H3') 2.83 0.50 0.90
assign
 (resid 10 and name H5') (resid 10 and name H2') 5.00 1.30 1.70
assign
 (resid 10 and name H5') (resid 10 and name H2'') 4.69 1.30 1.70
assign
 (resid 10 and name H5') (resid 10 and name H1') 5.24 1.30 1.70
assign
 (resid 10 and name H5') (resid 11 and name H3') 4.84 1.30 1.70
assign
 (resid 10 and name H5') (resid 11 and name H2') 4.51 1.30 1.70
assign
 (resid 10 and name H5') (resid 11 and name H2'') 5.67 2.00 2.00
assign
 (resid 10 and name H5') (resid 11 and name H6) 5.90 2.00 2.00
assign
 (resid 10 and name H4') (resid 10 and name H3') 2.84 0.50 0.90
assign
 (resid 10 and name H4') (resid 10 and name H2') 3.99 0.80 1.30
assign
 (resid 10 and name H4') (resid 10 and name H2'') 2.94 0.50 0.90
assign
 (resid 10 and name H4') (resid 10 and name H1') 3.31 0.50 0.90
assign
 (resid 10 and name H4') (resid 10 and (name HAA or name HAB or name HAC)) 5.81 2.00 2.00
assign
 (resid 10 and name H4') (resid 11 and name H2') 5.46 1.30 1.70
assign
 (resid 10 and name H4') (resid 11 and name H5) 5.61 2.00 2.00
assign
 (resid 10 and name H4') (resid 11 and name H6) 5.63 2.00 2.00
assign
 (resid 10 and name H3') (resid 10 and name H2') 2.40 0.50 0.90
assign
 (resid 10 and name H3') (resid 10 and name H2'') 3.01 0.50 0.90
assign
 (resid 10 and name H3') (resid 10 and name H1') 3.84 0.80 1.30
assign
 (resid 10 and name H3') (resid 10 and (name HAA or name HAB or name HAC)) 6.13 2.00 2.00
assign
 (resid 10 and name H3') (resid 11 and name H5'') 4.97 1.30 1.70
assign
 (resid 10 and name H3') (resid 11 and name H5') 4.62 1.30 1.70
assign
 (resid 10 and name H3') (resid 11 and name H4') 5.56 2.00 2.00
assign
 (resid 10 and name H3') (resid 11 and name H3') 3.83 0.80 1.30
assign
 (resid 10 and name H3') (resid 11 and name H2') 2.81 0.50 0.90
assign
 (resid 10 and name H3') (resid 11 and name H2'') 4.38 0.80 1.30
assign
 (resid 10 and name H3') (resid 11 and name H1') 5.03 1.30 1.70
assign
 (resid 10 and name H3') (resid 11 and name H5) 3.83 0.80 1.30
assign
 (resid 10 and name H3') (resid 11 and name H6) 3.39 0.50 0.90
assign
 (resid 10 and name H2') (resid 10 and name H1') 2.86 0.50 0.90
assign
 (resid 10 and name H2') (resid 10 and (name HAA or name HAB or name HAC)) 4.52 1.30 1.70
assign
 (resid 10 and name H2') (resid 11 and name H5'') 5.94 2.00 2.00
assign
 (resid 10 and name H2') (resid 11 and name H5') 4.90 1.30 1.70
assign
 (resid 10 and name H2') (resid 11 and name H3') 5.72 2.00 2.00
assign
 (resid 10 and name H2') (resid 11 and name H2') 4.20 0.80 1.30
assign
 (resid 10 and name H2') (resid 11 and name H2'') 5.79 2.00 2.00
assign
 (resid 10 and name H2') (resid 11 and name H1') 5.71 2.00 2.00
assign
 (resid 10 and name H2') (resid 11 and name H5) 2.77 0.50 0.90
assign
 (resid 10 and name H2') (resid 11 and name H6) 2.70 0.50 0.90
assign
 (resid 10 and name H2'') (resid 10 and name H1') 2.31 0.50 0.90
assign
 (resid 10 and name H2'') (resid 10 and (name HAA or name HAB or name HAC)) 4.66 1.30 1.70
assign
 (resid 10 and name H2'') (resid 11 and name H5') 5.41 1.30 1.70
assign
 (resid 10 and name H2'') (resid 11 and name H2') 5.32 1.30 1.70
assign
 (resid 10 and name H2'') (resid 11 and name H2'') 7.03 2.00 2.00
assign
 (resid 10 and name H2'') (resid 11 and name H5) 4.49 0.80 1.30
assign
 (resid 10 and name H2'') (resid 11 and name H6) 4.21 0.80 1.30
assign
 (resid 10 and name H1') (resid 10 and (name HAA or name HAB or name HAC)) 2.84 0.50 0.90
assign
 (resid 10 and name H1') (resid 11 and name H5) 4.48 0.80 1.30
assign
 (resid 10 and name H1') (resid 11 and name H6) 5.02 1.30 1.70
assign
 (resid 10 and (name HAA or name HAB or name HAC))
 (resid 11 and name H5) 4.91 1.30 1.70
assign
 (resid 11 and name H5'') (resid 11 and name H4') 2.35 0.50 0.90
assign
 (resid 11 and name H5'') (resid 11 and name H3') 2.61 0.50 0.90
assign
 (resid 11 and name H5'') (resid 11 and name H2') 3.98 0.80 1.30
assign
 (resid 11 and name H5'') (resid 11 and name H2'') 5.05 1.30 1.70
assign
 (resid 11 and name H5'') (resid 11 and name H1') 4.91 1.30 1.70
assign
 (resid 11 and name H5'') (resid 11 and name H6) 4.49 0.80 1.30
assign
 (resid 11 and name H5'') (resid 12 and name H5'') 4.31 0.80 1.30
assign
 (resid 11 and name H5'') (resid 12 and name H5') 4.28 0.80 1.30
assign
 (resid 11 and name H5'') (resid 12 and name H4') 3.18 0.50 0.90
assign
 (resid 11 and name H5'') (resid 12 and name H3') 5.56 2.00 2.00
assign
 (resid 11 and name H5'') (resid 12 and name H2') 4.83 1.30 1.70
assign
 (resid 11 and name H5'') (resid 12 and name H2'') 5.75 2.00 2.00
assign
 (resid 11 and name H5'') (resid 12 and name H1') 4.08 0.80 1.30
assign
 (resid 11 and name H5'') (resid 12 and name H8) 4.68 1.30 1.70
assign
 (resid 11 and name H5') (resid 11 and name H4') 2.46 0.50 0.90
assign
 (resid 11 and name H5') (resid 11 and name H3') 3.59 0.80 1.30
assign
 (resid 11 and name H5') (resid 11 and name H2') 4.09 0.80 1.30
assign
 (resid 11 and name H5') (resid 11 and name H2'') 5.06 1.30 1.70
assign
 (resid 11 and name H5') (resid 11 and name H1') 4.38 0.80 1.30
assign
 (resid 11 and name H5') (resid 11 and name H5) 5.85 2.00 2.00
assign
 (resid 11 and name H5') (resid 11 and name H6) 3.35 0.50 0.90
assign
 (resid 11 and name H5') (resid 12 and name H5'') 4.59 1.30 1.70
assign
 (resid 11 and name H5') (resid 12 and name H5') 5.03 1.30 1.70
assign
 (resid 11 and name H5') (resid 12 and name H4') 4.24 0.80 1.30
assign
 (resid 11 and name H5') (resid 12 and name H3') 5.77 2.00 2.00
assign
 (resid 11 and name H5') (resid 12 and name H2') 4.30 0.80 1.30
assign
 (resid 11 and name H5') (resid 12 and name H2'') 4.80 1.30 1.70
assign
 (resid 11 and name H5') (resid 12 and name H1') 3.59 0.80 1.30
assign
 (resid 11 and name H5') (resid 12 and name H8) 3.53 0.80 1.30
assign
 (resid 11 and name H4') (resid 11 and name H3') 2.69 0.50 0.90
assign
 (resid 11 and name H4') (resid 11 and name H2') 3.69 0.80 1.30
assign
 (resid 11 and name H4') (resid 11 and name H2'') 4.10 0.80 1.30
assign
 (resid 11 and name H4') (resid 11 and name H1') 3.09 0.50 0.90
assign
 (resid 11 and name H4') (resid 11 and name H6) 3.99 0.80 1.30
assign
 (resid 11 and name H4') (resid 12 and name H5'') 2.52 0.50 0.90
assign
 (resid 11 and name H4') (resid 12 and name H5') 3.31 0.50 0.90
assign
 (resid 11 and name H4') (resid 12 and name H4') 3.45 0.50 0.90
assign
 (resid 11 and name H4') (resid 12 and name H3') 4.28 0.80 1.30
assign
 (resid 11 and name H4') (resid 12 and name H2') 3.48 0.50 0.90
assign
 (resid 11 and name H4') (resid 12 and name H2'') 4.91 1.30 1.70
assign
 (resid 11 and name H4') (resid 12 and name H1') 4.13 0.80 1.30
assign
 (resid 11 and name H4') (resid 12 and name H8) 5.13 1.30 1.70
assign
 (resid 11 and name H3') (resid 11 and name H2') 2.35 0.50 0.90
assign
 (resid 11 and name H3') (resid 11 and name H2'') 2.78 0.50 0.90
assign
 (resid 11 and name H3') (resid 11 and name H1') 3.65 0.80 1.30
assign
 (resid 11 and name H3') (resid 11 and name H6) 4.55 1.30 1.70
assign
 (resid 11 and name H3') (resid 12 and name H5'') 4.37 0.80 1.30
assign
 (resid 11 and name H3') (resid 12 and name H5') 5.04 1.30 1.70
assign
 (resid 11 and name H3') (resid 12 and name H4') 5.09 1.30 1.70
assign
 (resid 11 and name H3') (resid 12 and name H2') 6.36 2.00 2.00
assign
 (resid 11 and name H2') (resid 11 and name H1') 2.97 0.50 0.90
assign
 (resid 11 and name H2') (resid 11 and name H5) 4.65 1.30 1.70
assign
 (resid 11 and name H2') (resid 11 and name H6) 2.97 0.50 0.90
assign
 (resid 11 and name H2') (resid 12 and name H5'') 5.74 2.00 2.00
assign
 (resid 11 and name H2') (resid 12 and name H5') 6.07 2.00 2.00
assign
 (resid 11 and name H2'') (resid 11 and name H1') 2.33 0.50 0.90
assign
 (resid 11 and name H2'') (resid 11 and name H5) 5.68 2.00 2.00
assign
 (resid 11 and name H2'') (resid 11 and name H6) 4.01 0.80 1.30
assign
 (resid 11 and name H2'') (resid 12 and name H5'') 5.32 1.30 1.70
assign
 (resid 11 and name H2'') (resid 12 and name H5') 5.69 2.00 2.00
assign
 (resid 11 and name H1') (resid 11 and name H5) 4.86 1.30 1.70
assign
 (resid 11 and name H1') (resid 11 and name H6) 3.44 0.50 0.90
assign
 (resid 11 and name H1') (resid 12 and name H5'') 3.87 0.80 1.30
assign
 (resid 11 and name H1') (resid 12 and name H5') 5.05 1.30 1.70
assign
 (resid 11 and name H1') (resid 12 and name H4') 5.24 1.30 1.70
assign
 (resid 11 and name H1') (resid 12 and name H3') 6.16 2.00 2.00
assign
 (resid 11 and name H1') (resid 12 and name H2') 4.97 1.30 1.70
assign
 (resid 11 and name H5) (resid 11 and name H6) 2.55 0.50 0.90
assign
 (resid 12 and name H5'') (resid 12 and name H4') 2.94 0.50 0.90
assign
 (resid 12 and name H5'') (resid 12 and name H3') 2.60 0.50 0.90
assign
 (resid 12 and name H5'') (resid 12 and name H2') 2.93 0.50 0.90
assign
 (resid 12 and name H5'') (resid 12 and name H2'') 4.36 0.80 1.30
assign
 (resid 12 and name H5'') (resid 12 and name H1') 4.62 1.30 1.70
assign
 (resid 12 and name H5') (resid 12 and name H4') 2.44 0.50 0.90
assign
 (resid 12 and name H5') (resid 12 and name H3') 2.47 0.50 0.90
assign
 (resid 12 and name H5') (resid 12 and name H2') 3.72 0.80 1.30
assign
 (resid 12 and name H5') (resid 12 and name H2'') 4.75 1.30 1.70
assign
 (resid 12 and name H5') (resid 12 and name H1') 4.75 1.30 1.70
assign
 (resid 12 and name H4') (resid 12 and name H3') 2.84 0.50 0.90
assign
 (resid 12 and name H4') (resid 12 and name H2') 3.54 0.80 1.30
assign
 (resid 12 and name H4') (resid 12 and name H2'') 3.57 0.80 1.30
assign
 (resid 12 and name H4') (resid 12 and name H1') 3.15 0.50 0.90
assign
 (resid 12 and name H4') (resid 12 and name H8) 5.24 1.30 1.70
assign
 (resid 12 and name H3') (resid 12 and name H2') 2.60 0.50 0.90
assign
 (resid 12 and name H3') (resid 12 and name H2'') 3.04 0.50 0.90
assign
 (resid 12 and name H3') (resid 12 and name H1') 3.96 0.80 1.30
assign
 (resid 12 and name H3') (resid 12 and name H8) 6.34 2.00 2.00
assign
 (resid 12 and name H2') (resid 12 and name H1') 3.02 0.50 0.90
assign
 (resid 12 and name H2') (resid 12 and name H8) 4.30 0.80 1.30
assign
 (resid 12 and name H2'') (resid 12 and name H1') 2.28 0.50 0.90
assign
 (resid 12 and name H2'') (resid 12 and name H8) 3.91 0.80 1.30
assign
 (resid 12 and name H1') (resid 12 and name H8) 2.43 0.50 0.90

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1          1H5*        C   1  20.132  17.070  20.181
    2   2H5*    C   1          2H5*        C   1  20.750  16.103  18.834
    3    H4*    C   1           H4*        C   1  19.038  14.785  20.139
    4    H3*    C   1           H3*        C   1  18.847  14.878  17.451
    5   1H2*    C   1          1H2*        C   1  17.514  16.926  17.589
    6   2H2*    C   1          2H2*        C   1  16.231  15.705  17.285
    7    H1*    C   1           H1*        C   1  15.874  15.404  19.632
    8   1H4     C   1           H41        C   1  12.472  20.880  19.252
    9   2H4     C   1           H42        C   1  13.899  21.798  19.659
   10    H5     C   1           H5         C   1  16.068  20.816  19.920
   11    H6     C   1           H6         C   1  17.378  18.664  19.871
   12    H5T    C   1           H5T        C   1  20.255  18.280  18.311
   13   1H5*    G   2          1H5*        G   2  18.843  11.137  20.720
   14   2H5*    G   2          2H5*        G   2  17.940  12.645  20.720
   15    H4*    G   2           H4*        G   2  20.817  12.240  21.336
   16    H3*    G   2           H3*        G   2  18.399  12.850  23.106
   17   1H2*    G   2          1H2*        G   2  19.827  13.748  24.789
   18   2H2*    G   2          2H2*        G   2  21.225  12.952  24.047
   19    H1*    G   2           H1*        G   2  21.624  14.870  22.915
   20    H8     G   2           H8         G   2  21.648  17.296  23.473
   21    H1     G   2           H1         G   2  15.291  17.805  22.738
   22   1H2     G   2           H21        G   2  15.423  14.328  22.438
   23   2H2     G   2           H22        G   2  14.398  15.744  22.544
   24   1H5*    C   3          1H5*        C   3  17.355   9.474  26.549
   25   2H5*    C   3          2H5*        C   3  18.156  10.638  27.617
   26    H4*    C   3           H4*        C   3  15.724  10.695  27.826
   27    H3*    C   3           H3*        C   3  15.513  10.519  25.071
   28   1H2*    C   3          1H2*        C   3  16.277  12.748  24.750
   29   2H2*    C   3          2H2*        C   3  14.526  13.088  24.777
   30    H1*    C   3           H1*        C   3  14.602  13.493  27.134
   31   1H4     C   3           H41        C   3  18.649  18.736  26.182
   32   2H4     C   3           H42        C   3  17.025  19.275  25.784
   33    H5     C   3           H5         C   3  19.084  16.406  26.766
   34    H6     C   3           H6         C   3  18.076  14.059  26.687
   35   1H5*   +G   4          1H5*       +G   4  12.536   8.746  28.764
   36   2H5*   +G   4          2H5*       +G   4  13.628  10.124  28.779
   37    H4*   +G   4           H4*       +G   4  14.401   7.258  29.218
   38    H3*   +G   4           H3*       +G   4  13.972   9.635  31.033
   39   1H2*   +G   4          1H2*       +G   4  15.771   8.957  32.443
   40   2H2*   +G   4          2H2*       +G   4  15.687   7.308  31.791
   41    H1*   +G   4           H1*       +G   4  17.373   7.901  30.373
   42    H1    +G   4           H1        +G   4  16.109  14.754  30.050
   43   1H2    +G   4           H21       +G   4  13.313  12.686  29.920
   44   2H2    +G   4           H22       +G   4  13.953  14.328  29.989
   45   1H5*    C   5          1H5*        C   5  11.493   8.846  35.022
   46   2H5*    C   5          2H5*        C   5   9.988   8.939  34.072
   47    H4*    C   5           H4*        C   5  10.356  10.952  35.187
   48    H3*    C   5           H3*        C   5  10.230  10.951  32.381
   49   1H2*    C   5          1H2*        C   5  12.436  11.591  32.164
   50   2H2*    C   5          2H2*        C   5  11.758  13.243  32.248
   51    H1*    C   5           H1*        C   5  12.141  13.273  34.628
   52   1H4     C   5           H41        C   5  18.635  12.618  33.293
   53   2H4     C   5           H42        C   5  18.296  14.302  32.970
   54    H5     C   5           H5         C   5  16.928  11.007  33.750
   55    H6     C   5           H6         C   5  14.457  10.662  34.138
   56   1H5*    G   6          1H5*        G   6   7.078  11.768  36.254
   57   2H5*    G   6          2H5*        G   6   8.734  12.214  36.377
   58    H4*    G   6           H4*        G   6   7.561   9.415  36.457
   59    H3*    G   6           H3*        G   6   7.596  11.219  38.592
   60   1H2*    G   6          1H2*        G   6  10.121  11.010  38.637
   61   2H2*    G   6          2H2*        G   6   9.734   9.684  39.800
   62    H1*    G   6           H1*        G   6   9.789   8.053  38.113
   63    H8     G   6           H8         G   6  12.079   6.988  37.863
   64    H1     G   6           H1         G   6  14.938  12.658  36.920
   65   1H2     G   6           H21        G   6  11.741  13.945  37.405
   66   2H2     G   6           H22        G   6  13.428  14.286  37.098
   67    H3T    G   6           H3T        G   6   6.450   9.265  38.364
   68   1H5*    C   7          1H5*        C   7  19.189  20.029  35.346
   69   2H5*    C   7          2H5*        C   7  18.922  21.156  36.684
   70    H4*    C   7           H4*        C   7  16.750  20.700  35.482
   71    H3*    C   7           H3*        C   7  16.814  20.549  38.174
   72   1H2*    C   7          1H2*        C   7  17.482  18.198  38.053
   73   2H2*    C   7          2H2*        C   7  15.736  18.035  38.439
   74    H1*    C   7           H1*        C   7  15.170  17.916  36.116
   75   1H4     C   7           H41        C   7  17.098  11.766  36.536
   76   2H4     C   7           H42        C   7  18.706  12.234  36.048
   77    H5     C   7           H5         C   7  19.372  14.510  35.711
   78    H6     C   7           H6         C   7  18.605  16.910  35.745
   79    H5T    C   7           H5T        C   7  20.266  19.367  37.184
   80   1H5*    G   8          1H5*        G   8  13.840  22.931  34.985
   81   2H5*    G   8          2H5*        G   8  14.389  21.261  34.995
   82    H4*    G   8           H4*        G   8  15.937  23.686  34.260
   83    H3*    G   8           H3*        G   8  14.738  21.425  32.586
   84   1H2*    G   8          1H2*        G   8  16.275  21.881  30.824
   85   2H2*    G   8          2H2*        G   8  16.621  23.474  31.520
   86    H1*    G   8           H1*        G   8  18.381  22.541  32.593
   87    H8     G   8           H8         G   8  20.204  20.959  31.986
   88    H1     G   8           H1         G   8  16.464  15.839  32.991
   89   1H2     G   8           H21        G   8  13.938  18.223  33.356
   90   2H2     G   8           H22        G   8  14.332  16.519  33.267
   91   1H5*    C   9          1H5*        C   9  11.353  22.779  29.263
   92   2H5*    C   9          2H5*        C   9  12.708  22.599  28.137
   93    H4*    C   9           H4*        C   9  11.152  20.721  28.035
   94    H3*    C   9           H3*        C   9  11.003  20.734  30.799
   95   1H2*    C   9          1H2*        C   9  13.200  19.857  31.041
   96   2H2*    C   9          2H2*        C   9  12.311  18.310  31.085
   97    H1*    C   9           H1*        C   9  12.561  18.055  28.719
   98   1H4     C   9           H41        C   9  19.210  17.696  29.383
   99   2H4     C   9           H42        C   9  18.573  16.124  29.843
  100    H5     C   9           H5         C   9  17.709  19.538  28.828
  101    H6     C   9           H6         C   9  15.281  20.317  29.000
  102   1H5*   +G  10          1H5*       +G  10   7.553  19.571  27.280
  103   2H5*   +G  10          2H5*       +G  10   9.308  19.494  27.188
  104    H4*   +G  10           H4*       +G  10   7.629  21.946  26.773
  105    H3*   +G  10           H3*       +G  10   9.063  20.028  24.931
  106   1H2*   +G  10          1H2*       +G  10   9.664  21.802  23.456
  107   2H2*   +G  10          2H2*       +G  10   8.393  22.832  24.146
  108    H1*   +G  10           H1*       +G  10  10.006  23.746  25.475
  109    H1    +G  10           H1        +G  10  14.370  18.308  25.714
  110   1H2    +G  10           H21       +G  10  10.986  17.554  26.010
  111   2H2    +G  10           H22       +G  10  12.641  16.960  25.880
  112   1H5*    C  11          1H5*        C  11   6.669  18.592  21.073
  113   2H5*    C  11          2H5*        C  11   5.796  17.414  22.087
  114    H4*    C  11           H4*        C  11   7.508  16.350  20.916
  115    H3*    C  11           H3*        C  11   7.550  16.312  23.724
  116   1H2*    C  11          1H2*        C  11   9.485  17.564  23.830
  117   2H2*    C  11          2H2*        C  11  10.286  15.968  23.743
  118    H1*    C  11           H1*        C  11  10.453  16.189  21.348
  119   1H4     C  11           H41        C  11  14.264  21.550  22.407
  120   2H4     C  11           H42        C  11  15.329  20.197  22.709
  121    H5     C  11           H5         C  11  11.911  21.307  22.059
  122    H6     C  11           H6         C  11  10.018  19.658  21.787
  123   1H5*    G  12          1H5*        G  12   5.934  13.318  19.979
  124   2H5*    G  12          2H5*        G  12   7.348  14.274  19.773
  125    H4*    G  12           H4*        G  12   4.463  15.221  19.803
  126    H3*    G  12           H3*        G  12   5.754  14.023  17.632
  127   1H2*    G  12          1H2*        G  12   7.245  16.065  17.479
  128   2H2*    G  12          2H2*        G  12   5.939  16.618  16.361
  129    H1*    G  12           H1*        G  12   4.818  17.762  18.077
  130    H8     G  12           H8         G  12   5.522  20.194  18.247
  131    H1     G  12           H1         G  12  11.716  18.658  18.947
  132   1H2     G  12           H21        G  12  10.576  15.391  18.578
  133   2H2     G  12           H22        G  12  11.950  16.448  18.802
  134    H3T    G  12           H3T        G  12   3.539  14.441  17.950
  135   1HC   CH3   4           HAA      8ME   4  19.709   8.344  30.050
  136   2HC   CH3   4           HAB      8ME   4  19.503   8.503  31.811
  137   3HC   CH3   4           HAC      8ME   4  20.736   9.462  30.963
  138   1HC   CH3  10           HAA      8ME  10  11.883  25.226  25.684
  139   2HC   CH3  10           HAB      8ME  10  11.790  24.931  23.931
  140   3HC   CH3  10           HAC      8ME  10  13.359  25.251  24.704
   
  No H/Q in entry =         140