*HEADER    RNA                                     04-NOV-02   1N53              
*TITLE     SOLUTION STRUCTURE OF B. SUBTILIS T BOX ANTITERMINATOR RNA            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA (5'-                                                   
*COMPND   3 R(*GP*AP*GP*GP*GP*UP*GP*GP*AP*AP*CP*CP*GP*CP*GP*C)-3');              
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: RNA (5'-R(*GP*CP*GP*UP*CP*CP*CP*UP*C)-3');                 
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED USING T7 RNA POLYMERASE;                  
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: SYNTHESIZED USING T7 RNA POLYMERASE                   
*KEYWDS    RNA, T BOX, BULGE                                                     
*EXPDTA    NMR                                                                   
*AUTHOR    M.S.GERDEMAN, T.M.HENKIN, J.V.HINES                                   
*REVDAT   1   29-APR-03 1N53    0                                                

{NOE restraint file}

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assign (residue 24 and name h1') (residue 25 and name h6) 0.0 0.0 5.0  
assign (residue 24 and name h1') (residue 24 and name h2'') 0.0 0.0 3.0 
assign (residue 24 and name h2'') (residue 25 and name h6) 0.0 0.0 4.0  
assign (residue 24 and name h3') (residue 25 and name h6) 0.0 0.0 5.0  
assign (residue 25 and name h6) (residue 25 and name h1') 0.0 0.0 5.0  
assign (residue 25 and name h6) (residue 25 and name h2'') 0.0 0.0 4.0  
assign (residue 25 and name h6) (residue 25 and name h3') 0.0 0.0 5.0  
assign (residue 25 and name h1') (residue 25 and name h2'') 0.0 0.0 3.0 

{Hydrogen bonding constraints}

assign (residue 1 and name h1) (residue 25 and name n3) 1.9 0.1 0.1
assign (residue 1 and name h21) (residue 25 and name o2) 1.90 0.10 0.10  
assign (residue 1 and name o6) (residue 25 and name h41) 1.90 0.10 0.10  
assign (residue 2 and name n1) (residue 24 and name h3) 1.90 0.10 0.10  
assign (residue 2 and name h61) (residue 24 and name o4) 1.90 0.10 0.10  
assign (residue 3 and name h1) (residue 23 and name n3) 1.90 0.10 0.10  
assign (residue 3 and name h21) (residue 23 and name o2) 1.90 0.10 0.10  
assign (residue 3 and name o6) (residue 23 and name h41) 1.90 0.10 0.10  
assign (residue 4 and name h1) (residue 22 and name n3) 1.90 0.10 0.10  
assign (residue 4 and name h21) (residue 22 and name o2) 1.90 0.10 0.10  
assign (residue 4 and name o6) (residue 22 and name h41) 1.90 0.10 0.10  
assign (residue 5 and name h1) (residue 21 and name n3) 1.90 0.10 0.10  
assign (residue 5 and name h21) (residue 21 and name o2) 1.90 0.10 0.10  
assign (residue 5 and name o6) (residue 21 and name h41) 1.90 0.10 0.10  
assign (residue 13 and name h1) (residue 20 and name o2) 1.90 0.10 0.10  
assign (residue 13 and name o6) (residue 20 and name h3) 1.90 0.10 0.10  
assign (residue 19 and name h1) (residue 14 and name n3) 1.90 0.10 0.10  
assign (residue 19 and name h21) (residue 14 and name o2) 1.90 0.10 0.10  
assign (residue 19 and name o6) (residue 14 and name h41) 1.90 0.10 0.10  
assign (residue 15 and name h1) (residue 18 and name n3) 1.90 0.10 0.10  
assign (residue 15 and name h21) (residue 18 and name o2) 1.90 0.10 0.10  
assign (residue 15 and name o6) (residue 18 and name h41) 1.90 0.10 0.10  
assign (residue 17 and name h1) (residue 16 and name n3) 1.90 0.10 0.10  
assign (residue 17 and name h21) (residue 16 and name o2) 1.90 0.10 0.10  
assign (residue 17 and name o6) (residue 16 and name h41) 1.90 0.10 0.10  
assign (residue 1 and name h1) (residue 25 and name h41) 0.0 0.0 4.0  
assign (residue 1 and name h1) (residue 25 and name h42) 0.0 0.0 4.0  
assign (residue 1 and name h1) (residue 25 and name h5) 0.0 0.0 6.5    
assign (residue 1 and name h1) (residue 2 and name h1') 0.0 0.0 6.5    
assign (residue 3 and name h1) (residue 2 and name h2) 0.0 0.0 6.5    
assign (residue 3 and name h1) (residue 2 and name h1') 0.0 0.0 6.5    
assign (residue 3 and name h1) (residue 4 and name h1') 0.0 0.0 6.5    
assign (residue 3 and name h1) (residue 23 and name h5) 0.0 0.0 6.5    
assign (residue 3 and name h1) (residue 23 and name h41) 0.0 0.0 4.0  
assign (residue 3 and name h1) (residue 23 and name h42) 0.0 0.0 4.0  
assign (residue 4 and name h1) (residue 22 and name h41) 0.0 0.0 4.0  
assign (residue 4 and name h1) (residue 22 and name h42) 0.0 0.0 4.0  
assign (residue 4 and name h1) (residue 22 and name h6) 0.0 0.0 6.5    
assign (residue 4 and name h1 ) (residue 22 and name h5) 0.0 0.0 6.5    
assign (residue 4 and name h1) (residue 4 and name h1') 0.0 0.0 6.5    
assign (residue 5 and name h1) (residue 21 and name h41) 0.0 0.0 4.0  
assign (residue 5 and name h1) (residue 21 and name h42) 0.0 0.0 4.0  
assign (residue 5 and name h1) (residue 21 and name h5) 0.0 0.0 6.5    
assign (residue 5 and name h1) (residue 21 and name h6) 0.0 0.0 6.5    
assign (residue 13 and name h1) (residue 20 and name h6) 0.0 0.0 6.5    
assign (residue 13 and name h1) (residue 12 and name h5) 0.0 0.0 6.5    
assign (residue 13 and name h1) (residue 20 and name h1') 0.0 0.0 6.5    
assign (residue 15 and name h1) (residue 18 and name h6) 0.0 0.0 6.5    
assign (residue 15 and name h1) (residue 18 and name h41) 0.0 0.0 4.0  
assign (residue 15 and name h1) (residue 18 and name h42) 0.0 0.0 4.0  
assign (residue 15 and name h1) (residue 15 and name h1') 0.0 0.0 6.5    
assign (residue 15 and name h1) (residue 18 and name h5) 0.0 0.0 6.5    
assign (residue 17 and name h1) (residue 16 and name h41) 0.0 0.0 4.0  
assign (residue 17 and name h1) (residue 16 and name h42) 0.0 0.0 4.0  
assign (residue 17 and name h1) (residue 16 and name h6) 0.0 0.0 6.5    
assign (residue 17 and name h1) (residue 16 and name h1') 0.0 0.0 6.5    
assign (residue 19 and name h1) (residue 14 and name h41) 0.0 0.0 4.0  
assign (residue 19 and name h1) (residue 14 and name h42) 0.0 0.0 4.0  
assign (residue 19 and name h1) (residue 19 and name h1') 0.0 0.0 6.5    
assign (residue 19 and name h1) (residue 20 and name h1') 0.0 0.0 6.5    
assign (residue 20 and name h3) (residue 14 and name h41) 0.0 0.0 6.5    
assign (residue 20 and name h3) (residue 14 and name h42) 0.0 0.0 6.5    
assign (residue 20 and name h3) (residue 20 and name h1') 0.0 0.0 6.5    





 


 











  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1 -13.637 -14.666  -0.899
    2   2H5*    G   1          2H5*        G   1 -13.691 -13.901  -2.509
    3    H4*    G   1           H4*        G   1 -15.160 -12.784  -0.876
    4    H3*    G   1           H3*        G   1 -13.262 -11.319  -2.405
    5    H2*    G   1           H2*        G   1 -11.804 -10.830  -0.537
    6   2HO*    G   1          2HO*        G   1 -13.926  -8.984  -0.009
    7    H1*    G   1           H1*        G   1 -14.266 -10.659   1.261
    8    H8     G   1           H8         G   1 -10.776 -12.438   1.141
    9    H1     G   1           H1         G   1 -12.160  -9.277   6.544
   10   1H2     G   1          1H2         G   1 -14.135  -8.291   6.354
   11   2H2     G   1          2H2         G   1 -15.094  -8.422   4.898
   12    H5T    G   1           H5T        G   1 -11.716 -13.150  -0.645
   13   1H5*    A   2          1H5*        A   2 -16.119  -8.958  -0.130
   14   2H5*    A   2          2H5*        A   2 -17.255  -7.865  -0.946
   15    H4*    A   2           H4*        A   2 -16.667  -6.562   0.855
   16    H3*    A   2           H3*        A   2 -14.881  -5.869  -1.444
   17    H2*    A   2           H2*        A   2 -12.998  -5.522  -0.078
   18   2HO*    A   2          2HO*        A   2 -14.762  -3.858   1.449
   19    H1*    A   2           H1*        A   2 -14.583  -5.756   2.483
   20    H8     A   2           H8         A   2 -11.868  -7.720   0.433
   21   1H6     A   2          H61         A   2  -8.791  -7.712   5.816
   22   2H6     A   2          H62         A   2  -8.763  -8.238   4.147
   23    H2     A   2           H2         A   2 -12.640  -5.513   6.410
   24   1H5*    G   3          1H5*        G   3 -17.247  -3.025   1.238
   25   2H5*    G   3          2H5*        G   3 -17.562  -1.341   0.746
   26    H4*    G   3           H4*        G   3 -17.092  -1.570   3.164
   27    H3*    G   3           H3*        G   3 -14.935  -0.137   1.532
   28    H2*    G   3           H2*        G   3 -13.678   0.121   3.546
   29   2HO*    G   3          2HO*        G   3 -14.812   0.782   5.207
   30    H1*    G   3           H1*        G   3 -14.495  -2.279   4.810
   31    H8     G   3           H8         G   3 -13.073  -1.997   1.185
   32    H1     G   3           H1         G   3  -9.009  -4.072   5.673
   33   1H2     G   3          1H2         G   3  -9.944  -3.934   7.669
   34   2H2     G   3          2H2         G   3 -11.583  -3.361   7.879
   35   1H5*    G   4          1H5*        G   4 -16.041   2.620   4.952
   36   2H5*    G   4          2H5*        G   4 -15.540   4.256   4.449
   37    H4*    G   4           H4*        G   4 -14.383   3.189   6.485
   38    H3*    G   4           H3*        G   4 -12.776   4.224   4.096
   39    H2*    G   4           H2*        G   4 -10.772   3.535   5.219
   40   2HO*    G   4          2HO*        G   4 -10.646   3.494   7.376
   41    H1*    G   4           H1*        G   4 -11.777   1.191   6.366
   42    H8     G   4           H8         G   4 -12.690   1.903   2.677
   43    H1     G   4           H1         G   4  -7.277  -1.402   3.591
   44   1H2     G   4          1H2         G   4  -6.795  -1.482   5.746
   45   2H2     G   4          2H2         G   4  -7.816  -0.725   6.948
   46   1H5*    G   5          1H5*        G   5 -10.457   5.118   7.555
   47   2H5*    G   5          2H5*        G   5 -10.308   6.894   7.586
   48    H4*    G   5           H4*        G   5  -8.120   5.958   7.878
   49    H3*    G   5           H3*        G   5  -8.540   6.843   4.976
   50    H2*    G   5           H2*        G   5  -6.269   6.163   4.547
   51   2HO*    G   5          2HO*        G   5  -5.796   7.050   6.887
   52    H1*    G   5           H1*        G   5  -6.348   3.817   6.024
   53    H8     G   5           H8         G   5  -9.442   4.907   3.938
   54    H1     G   5           H1         G   5  -5.354   0.983   0.936
   55   1H2     G   5          1H2         G   5  -3.597   0.590   2.205
   56   2H2     G   5          2H2         G   5  -3.430   1.301   3.799
   57   1H5*    U   6          1H5*        U   6  -6.143  10.459   3.375
   58   2H5*    U   6          2H5*        U   6  -5.489   9.016   2.577
   59    H4*    U   6           H4*        U   6  -4.307  10.713   4.666
   60    H3*    U   6           H3*        U   6  -3.234   8.632   2.682
   61    H2*    U   6           H2*        U   6  -1.223   8.583   4.009
   62   2HO*    U   6          2HO*        U   6  -1.726  11.112   4.306
   63    H1*    U   6           H1*        U   6  -2.477   8.717   6.498
   64    H3     U   6           H3         U   6  -0.730   4.522   6.303
   65    H5     U   6           H5         U   6  -4.141   4.341   3.837
   66    H6     U   6           H6         U   6  -4.364   6.746   4.098
   67   1H5*    G   7          1H5*        G   7  -1.282   9.879  -0.969
   68   2H5*    G   7          2H5*        G   7  -2.889  10.476  -1.454
   69    H4*    G   7           H4*        G   7  -2.818   8.577  -2.713
   70    H3*    G   7           H3*        G   7  -4.167   7.916  -0.273
   71    H2*    G   7           H2*        G   7  -3.021   6.088   0.583
   72   2HO*    G   7          2HO*        G   7  -2.734   5.211  -2.130
   73    H1*    G   7           H1*        G   7  -0.681   5.834  -0.878
   74    H8     G   7           H8         G   7  -1.648   6.084   2.148
   75    H1     G   7           H1         G   7   2.164  11.191   1.524
   76   1H2     G   7          1H2         G   7   2.456  11.651  -0.622
   77   2H2     G   7          2H2         G   7   1.702  10.702  -1.881
   78   1H5*    G   8          1H5*        G   8  -0.832   5.170  -3.344
   79   2H5*    G   8          2H5*        G   8  -1.287   6.856  -3.701
   80    H4*    G   8           H4*        G   8  -1.612   4.488  -5.598
   81    H3*    G   8           H3*        G   8   0.886   5.538  -4.995
   82    H2*    G   8           H2*        G   8   0.397   7.811  -5.643
   83   2HO*    G   8          2HO*        G   8   1.462   6.228  -7.684
   84    H1*    G   8           H1*        G   8  -1.177   6.787  -8.040
   85    H8     G   8           H8         G   8  -0.088   9.708  -6.023
   86    H1     G   8           H1         G   8  -5.748  10.715  -8.864
   87   1H2     G   8          1H2         G   8  -6.562   8.800  -9.627
   88   2H2     G   8          2H2         G   8  -5.708   7.289  -9.423
   89   1H5*    A   9          1H5*        A   9   3.789   3.159  -4.311
   90   2H5*    A   9          2H5*        A   9   2.048   2.908  -4.073
   91    H4*    A   9           H4*        A   9   2.499   5.719  -4.245
   92    H3*    A   9           H3*        A   9   4.902   4.843  -3.248
   93    H2*    A   9           H2*        A   9   3.936   3.467  -1.478
   94   2HO*    A   9          2HO*        A   9   4.135   6.121  -0.398
   95    H1*    A   9           H1*        A   9   1.979   5.694  -0.812
   96    H8     A   9           H8         A   9   1.808   1.939  -1.833
   97   1H6     A   9          H61         A   9  -0.968   1.154   3.643
   98   2H6     A   9          H62         A   9  -0.392   0.341   2.202
   99    H2     A   9           H2         A   9   0.060   5.460   3.196
  100   1H5*    A  10          1H5*        A  10   3.474   8.370  -1.042
  101   2H5*    A  10          2H5*        A  10   4.401   9.883  -0.988
  102    H4*    A  10           H4*        A  10   4.079   9.645   1.244
  103    H3*    A  10           H3*        A  10   6.584   8.151   0.599
  104    H2*    A  10           H2*        A  10   6.048   6.368   2.017
  105   2HO*    A  10          2HO*        A  10   6.764   8.472   3.532
  106    H1*    A  10           H1*        A  10   3.816   7.973   3.316
  107    H8     A  10           H8         A  10   4.229   4.651   1.233
  108   1H6     A  10          H61         A  10   1.172   2.212   6.074
  109   2H6     A  10          H62         A  10   1.880   1.859   4.515
  110    H2     A  10           H2         A  10   1.825   6.571   6.827
  111   1H5*    C  11          1H5*        C  11   4.200   8.914   5.068
  112   2H5*    C  11          2H5*        C  11   4.572  10.339   6.059
  113    H4*    C  11           H4*        C  11   5.691   9.089   7.557
  114    H3*    C  11           H3*        C  11   7.140   7.867   5.154
  115    H2*    C  11           H2*        C  11   7.762   6.038   6.528
  116   2HO*    C  11          2HO*        C  11   8.114   8.040   8.263
  117    H1*    C  11           H1*        C  11   5.538   6.245   8.373
  118   1H4     C  11          H41         C  11   4.155   0.784   5.517
  119   2H4     C  11          H42         C  11   4.899   1.276   4.012
  120    H5     C  11           H5         C  11   5.880   3.509   3.703
  121    H6     C  11           H6         C  11   6.338   5.645   4.783
  122   1H5*    C  12          1H5*        C  12  10.386   7.544   3.676
  123   2H5*    C  12          2H5*        C  12   8.752   7.087   4.200
  124    H4*    C  12           H4*        C  12  10.902   5.583   5.545
  125    H3*    C  12           H3*        C  12  10.570   5.398   2.505
  126    H2*    C  12           H2*        C  12  10.833   3.011   2.727
  127   2HO*    C  12          2HO*        C  12  12.295   2.461   4.175
  128    H1*    C  12           H1*        C  12   9.229   2.716   4.953
  129   1H4     C  12          H41         C  12   5.263   1.778   0.094
  130   2H4     C  12          H42         C  12   5.343   3.459  -0.386
  131    H5     C  12           H5         C  12   6.804   5.077   0.729
  132    H6     C  12           H6         C  12   8.396   5.391   2.555
  133   1H5*    G  13          1H5*        G  13  14.845   3.262   2.840
  134   2H5*    G  13          2H5*        G  13  15.027   3.042   1.081
  135    H4*    G  13           H4*        G  13  14.464   1.066   2.865
  136    H3*    G  13           H3*        G  13  13.578   1.315  -0.055
  137    H2*    G  13           H2*        G  13  12.346  -0.758   0.257
  138   2HO*    G  13          2HO*        G  13  14.165  -1.010   2.298
  139    H1*    G  13           H1*        G  13  11.125  -0.048   2.550
  140    H8     G  13           H8         G  13  11.761   3.173   0.624
  141    H1     G  13           H1         G  13   6.673  -0.111  -1.496
  142   1H2     G  13          1H2         G  13   6.603  -2.098  -0.520
  143   2H2     G  13          2H2         G  13   7.811  -2.603   0.638
  144   1H5*    C  14          1H5*        C  14  14.216  -2.226   1.030
  145   2H5*    C  14          2H5*        C  14  14.782  -3.553  -0.001
  146    H4*    C  14           H4*        C  14  12.364  -3.680   0.862
  147    H3*    C  14           H3*        C  14  13.074  -3.943  -2.109
  148    H2*    C  14           H2*        C  14  10.759  -4.142  -2.633
  149   2HO*    C  14          2HO*        C  14  10.737  -5.473  -0.365
  150    H1*    C  14           H1*        C  14   9.766  -2.362  -0.714
  151   1H4     C  14          H41         C  14   9.931   1.102  -6.029
  152   2H4     C  14          H42         C  14  11.601   1.514  -5.731
  153    H5     C  14           H5         C  14  12.903   0.509  -3.915
  154    H6     C  14           H6         C  14  12.825  -1.058  -2.051
  155   1H5*    G  15          1H5*        G  15  11.466  -7.600  -2.085
  156   2H5*    G  15          2H5*        G  15  12.495  -8.685  -3.058
  157    H4*    G  15           H4*        G  15  10.314  -7.869  -4.108
  158    H3*    G  15           H3*        G  15  12.976  -7.235  -5.496
  159    H2*    G  15           H2*        G  15  11.709  -6.132  -7.188
  160   2HO*    G  15          2HO*        G  15  10.121  -8.222  -6.765
  161    H1*    G  15           H1*        G  15   9.505  -5.384  -5.498
  162    H8     G  15           H8         G  15  12.701  -3.975  -4.143
  163    H1     G  15           H1         G  15  10.404  -0.723  -9.171
  164   1H2     G  15          1H2         G  15   8.834  -1.918 -10.185
  165   2H2     G  15          2H2         G  15   8.353  -3.489  -9.586
  166   1H5*    C  16          1H5*        C  16  10.963 -10.058  -8.227
  167   2H5*    C  16          2H5*        C  16  11.945 -11.514  -8.484
  168    H4*    C  16           H4*        C  16  11.465 -10.790 -10.661
  169    H3*    C  16           H3*        C  16  14.147  -9.589  -9.838
  170    H2*    C  16           H2*        C  16  14.285  -8.566 -11.992
  171   2HO*    C  16          2HO*        C  16  11.918  -9.942 -12.793
  172    H1*    C  16           H1*        C  16  11.635  -7.765 -12.107
  173   1H4     C  16          H41         C  16  14.881  -2.805  -9.807
  174   2H4     C  16          H42         C  16  14.708  -3.409  -8.178
  175    H5     C  16           H5         C  16  13.714  -5.602  -7.680
  176    H6     C  16           H6         C  16  12.698  -7.589  -8.672
  177    H3T    C  16           H3T        C  16  13.869 -11.311 -11.990
  178   1H5*    G  17          1H5*        G  17  14.369   4.355 -15.120
  179   2H5*    G  17          2H5*        G  17  13.287   5.696 -15.578
  180    H4*    G  17           H4*        G  17  12.360   4.171 -16.963
  181    H3*    G  17           H3*        G  17  11.236   3.300 -14.294
  182    H2*    G  17           H2*        G  17  10.676   1.118 -15.074
  183   2HO*    G  17          2HO*        G  17  10.146   2.397 -17.278
  184    H1*    G  17           H1*        G  17  12.893   0.550 -16.535
  185    H8     G  17           H8         G  17  13.872   2.851 -13.636
  186    H1     G  17           H1         G  17  13.845  -3.386 -12.155
  187   1H2     G  17          1H2         G  17  12.904  -4.546 -13.793
  188   2H2     G  17          2H2         G  17  12.286  -3.776 -15.235
  189    H5T    G  17           H5T        G  17  11.950   5.128 -13.838
  190   1H5*    C  18          1H5*        C  18   7.827   2.708 -16.320
  191   2H5*    C  18          2H5*        C  18   6.420   3.225 -15.365
  192    H4*    C  18           H4*        C  18   6.872   0.708 -15.470
  193    H3*    C  18           H3*        C  18   6.599   2.198 -12.818
  194    H2*    C  18           H2*        C  18   7.338   0.286 -11.651
  195   2HO*    C  18          2HO*        C  18   5.542  -0.796 -13.314
  196    H1*    C  18           H1*        C  18   8.558  -1.075 -13.940
  197   1H4     C  18          H41         C  18  12.974  -0.824  -9.439
  198   2H4     C  18          H42         C  18  13.099   0.910  -9.525
  199    H5     C  18           H5         C  18  11.773   2.233 -11.182
  200    H6     C  18           H6         C  18   9.914   2.094 -12.764
  201   1H5*    G  19          1H5*        G  19   3.602  -1.342 -13.062
  202   2H5*    G  19          2H5*        G  19   2.005  -0.598 -12.790
  203    H4*    G  19           H4*        G  19   2.037  -2.627 -11.552
  204    H3*    G  19           H3*        G  19   2.600  -0.236  -9.753
  205    H2*    G  19           H2*        G  19   3.024  -1.709  -7.894
  206   2HO*    G  19          2HO*        G  19   1.284  -3.250  -9.241
  207    H1*    G  19           H1*        G  19   4.568  -3.541  -9.192
  208    H8     G  19           H8         G  19   5.132  -0.148 -10.823
  209    H1     G  19           H1         G  19   8.483  -1.019  -5.427
  210   1H2     G  19          1H2         G  19   7.802  -2.864  -4.405
  211   2H2     G  19          2H2         G  19   6.529  -3.867  -5.063
  212   1H5*    U  20          1H5*        U  20  -0.443  -0.545  -6.287
  213   2H5*    U  20          2H5*        U  20   0.760   0.656  -5.777
  214    H4*    U  20           H4*        U  20   1.142  -2.334  -6.104
  215    H3*    U  20           H3*        U  20   0.396  -1.073  -3.771
  216    H2*    U  20           H2*        U  20   2.241   0.523  -3.743
  217   2HO*    U  20          2HO*        U  20   2.604  -1.794  -2.244
  218    H1*    U  20           H1*        U  20   4.184  -1.686  -4.494
  219    H3     U  20           H3         U  20   6.972   1.943  -3.855
  220    H5     U  20           H5         U  20   4.860   2.711  -7.421
  221    H6     U  20           H6         U  20   3.440   0.808  -6.904
  222   1H5*    C  21          1H5*        C  21  -1.188  -4.677  -1.171
  223   2H5*    C  21          2H5*        C  21  -1.585  -3.633  -2.551
  224    H4*    C  21           H4*        C  21   0.769  -2.615  -1.228
  225    H3*    C  21           H3*        C  21  -1.569  -3.289   0.605
  226    H2*    C  21           H2*        C  21  -1.704  -1.045   1.300
  227   2HO*    C  21          2HO*        C  21   0.910  -1.606   1.654
  228    H1*    C  21           H1*        C  21   0.166  -0.019  -0.773
  229   1H4     C  21          H41         C  21  -5.874   2.798  -0.791
  230   2H4     C  21          H42         C  21  -4.920   3.819  -1.850
  231    H5     C  21           H5         C  21  -2.563   3.306  -2.399
  232    H6     C  21           H6         C  21  -0.755   1.705  -2.053
  233   1H5*    C  22          1H5*        C  22   1.115  -3.500   4.169
  234   2H5*    C  22          2H5*        C  22   0.352  -4.890   4.967
  235    H4*    C  22           H4*        C  22  -0.088  -2.599   6.015
  236    H3*    C  22           H3*        C  22  -2.422  -4.366   5.190
  237    H2*    C  22           H2*        C  22  -3.824  -2.636   6.196
  238   2HO*    C  22          2HO*        C  22  -2.051  -2.356   7.913
  239    H1*    C  22           H1*        C  22  -2.541  -0.521   5.030
  240   1H4     C  22          H41         C  22  -7.310  -2.535   1.268
  241   2H4     C  22          H42         C  22  -6.148  -3.341   0.237
  242    H5     C  22           H5         C  22  -3.753  -3.518   0.835
  243    H6     C  22           H6         C  22  -2.078  -2.891   2.503
  244   1H5*    C  23          1H5*        C  23  -1.850  -3.983   9.479
  245   2H5*    C  23          2H5*        C  23  -1.891  -5.400  10.549
  246    H4*    C  23           H4*        C  23  -3.451  -3.815  11.429
  247    H3*    C  23           H3*        C  23  -4.719  -6.186  10.035
  248    H2*    C  23           H2*        C  23  -6.883  -5.194  10.078
  249   2HO*    C  23          2HO*        C  23  -7.430  -4.143  11.843
  250    H1*    C  23           H1*        C  23  -6.250  -2.592   9.566
  251   1H4     C  23          H41         C  23  -7.664  -5.430   4.015
  252   2H4     C  23          H42         C  23  -5.955  -5.574   3.669
  253    H5     C  23           H5         C  23  -4.228  -5.025   5.327
  254    H6     C  23           H6         C  23  -3.824  -4.161   7.577
  255   1H5*    U  24          1H5*        U  24  -6.735  -4.758  13.672
  256   2H5*    U  24          2H5*        U  24  -7.445  -6.028  14.690
  257    H4*    U  24           H4*        U  24  -9.074  -4.239  14.120
  258    H3*    U  24           H3*        U  24  -9.613  -7.055  13.065
  259    H2*    U  24           H2*        U  24 -11.648  -6.217  12.050
  260   2HO*    U  24          2HO*        U  24 -11.404  -4.407  14.051
  261    H1*    U  24           H1*        U  24 -10.543  -3.994  10.928
  262    H3     U  24           H3         U  24 -10.766  -6.940   7.477
  263    H5     U  24           H5         U  24  -7.387  -8.172   9.665
  264    H6     U  24           H6         U  24  -8.000  -6.558  11.371
  265   1H5*    C  25          1H5*        C  25 -13.249  -5.400  14.262
  266   2H5*    C  25          2H5*        C  25 -14.350  -6.621  14.934
  267    H4*    C  25           H4*        C  25 -15.160  -5.506  12.819
  268    H3*    C  25           H3*        C  25 -14.699  -8.525  12.806
  269    H2*    C  25           H2*        C  25 -15.580  -8.565  10.589
  270   2HO*    C  25          2HO*        C  25 -16.233  -5.815  10.648
  271    H1*    C  25           H1*        C  25 -14.320  -6.221   9.744
  272   1H4     C  25          H41         C  25 -10.457 -10.804   7.701
  273   2H4     C  25          H42         C  25  -9.921 -11.172   9.323
  274    H5     C  25           H5         C  25 -10.862 -10.064  11.308
  275    H6     C  25           H6         C  25 -12.480  -8.405  12.073
  276    H3T    C  25           H3T        C  25 -17.181  -7.239  12.558