HEADER    DNA                                     21-APR-00   1EW1              
TITLE     RECA PROTEIN-BOUND SINGLE-STRANDED DNA                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (5'-D(*TP*AP*CP*G)-3');                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 OTHER_DETAILS: RECA PROTEIN-BOUND SINGLE-STRANDED DNA                
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES                                                       
KEYWDS    DEOXYRIBOSE-BASE STACKING, SINGLE-STRANDED DNA                        
EXPDTA    NMR, 10 STRUCTURES                                                    
AUTHOR    T.NISHINAKA, Y.ITO, S.YOKOYAMA, T.SHIBATA                             
REVDAT   1   08-MAY-00 1EW1    0                                                



!    intraresidue noe
!   from base proton to ribose proton
assign (resid   1 and  name H6   )(resid   1 and  name H2'  ) 2.60 0.3 0.3
assign (resid   1 and  name H6   )(resid   1 and  name H2''  ) 3.38 0.3 0.3
assign (resid   1 and  name H6   )(resid   1 and  name H1'  ) 3.31 0.3 0.3
assign (resid   1 and  name H6   )(resid   1 and  name H3'  ) 3.22 0.3 0.3
assign (resid   2 and  name H8   )(resid   2 and  name H2'  ) 2.51 0.3 0.3
assign (resid   2 and  name H8   )(resid   2 and  name H2''  ) 2.99 0.3 0.3
assign (resid   2 and  name H8   )(resid   2 and  name H1'  ) 3.48 0.3 0.3
assign (resid   2 and  name H8   )(resid   2 and  name H3'  ) 3.61 0.4 0.4
assign (resid   2 and  name H8   )(resid   2 and  name H4'  ) 4.59 0.5 0.5
assign (resid   3 and  name H6   )(resid   3 and  name H2'  ) 2.46 0.3 0.3
assign (resid   3 and  name H6   )(resid   3 and  name H2''  ) 3.12 0.3 0.3
assign (resid   3 and  name H6   )(resid   3 and  name H1'  ) 3.18 0.3 0.3
assign (resid   3 and  name H6   )(resid   3 and  name H3'  ) 3.08 0.3 0.3
assign (resid   3 and  name H5   )(resid   3 and  name H2'  ) 3.93 0.4 0.4
assign (resid   4 and  name H8   )(resid   4 and  name H2'  ) 2.66 0.3 0.3
assign (resid   4 and  name H8   )(resid   4 and  name H2''  ) 3.18 0.3 0.3
assign (resid   4 and  name H8   )(resid   4 and  name H1'  ) 3.10 0.3 0.3
assign (resid   4 and  name H8   )(resid   4 and  name H3'  ) 3.14 0.3 0.3
!   from H1' to ribose
assign (resid   1 and  name H1'   )(resid   1 and  name H2'  ) 3.40 0.3 0.3
assign (resid   1 and  name H1'   )(resid   1 and  name H2''  ) 2.76 0.3 0.3
assign (resid   1 and  name H1'   )(resid   1 and  name H3'  ) 3.77 0.4 0.4
assign (resid   2 and  name H1'   )(resid   2 and  name H2'  ) 3.09 0.3 0.3
assign (resid   2 and  name H1'   )(resid   2 and  name H2''  ) 2.54 0.3 0.3
assign (resid   2 and  name H1'   )(resid   2 and  name H3'  ) 3.56 0.4 0.4
assign (resid   2 and  name H1'   )(resid   2 and  name H4'  ) 3.15 0.3 0.3
assign (resid   3 and  name H1'   )(resid   3 and  name H2'  ) 3.05 0.3 0.3
assign (resid   3 and  name H1'   )(resid   3 and  name H2''  ) 2.51 0.3 0.3
assign (resid   3 and  name H1'   )(resid   3 and  name H3'  ) 3.90 0.4 0.4
assign (resid   4 and  name H1'   )(resid   4 and  name H2'  ) 2.95 0.3 0.3
assign (resid   4 and  name H1'   )(resid   4 and  name H2''  ) 2.48 0.3 0.3
assign (resid   4 and  name H1'   )(resid   4 and  name H3'  ) 3.55 0.4 0.4
assign (resid   4 and  name H1'   )(resid   4 and  name H4'  ) 3.07 0.3 0.3
!   from H2' or H2'' to ribose
assign (resid   1 and  name H2'   )(resid   1 and  name H3'  ) 2.65 0.3 0.3
assign (resid   1 and  name H2''   )(resid   1 and  name H3'  ) 3.03 0.3 0.3
assign (resid   2 and  name H2'   )(resid   2 and  name H3'  ) 2.62 0.3 0.3
assign (resid   2 and  name H2''   )(resid   2 and  name H3'  ) 2.79 0.3 0.3
assign (resid   3 and  name H2'   )(resid   3 and  name H3'  ) 2.62 0.3 0.3
assign (resid   3 and  name H2''   )(resid   3 and  name H3'  ) 2.86 0.3 0.3
assign (resid   4 and  name H2''   )(resid   4 and  name H3'  ) 3.06 0.3 0.3
!
!    interresidue noe
!
assign (resid   1 and  name H1'    )(resid   2 and  name H4'  ) 4.45 0.4 0.4
assign (resid   1 and  name H2''   )(resid   2 and  name H4'  ) 4.40 0.4 0.4
assign (resid   2 and  name H8   )(resid   1 and  name H2'  ) 3.98 0.4 0.4
assign (resid   2 and  name H8   )(resid   1 and  name H2''  ) 3.84 0.4 0.4
assign (resid   2 and  name H8   )(resid   1 and  name H3'  ) 4.06 0.4 0.4
assign (resid   2 and  name H5' )(resid   1 and  name H1'  ) 4.0  0.5 0.5 
assign (resid   2 and  name H5'   )(resid   1 and  name H2'' ) 3.90 0.4 0.4
assign (resid   3 and  name H6   )(resid   2 and  name H2''  ) 3.68 0.4 0.4
assign (resid   3 and  name H6   )(resid   2 and  name H3'  ) 3.54 0.4 0.4
assign (resid   3 and  name H6   )(resid   2 and  name H2'  ) 3.77 0.4 0.4
assign (resid   2 and  name H8   )(resid   3 and  name H5  ) 4.18 0.4 0.4
assign (resid   3 and  name H5   )(resid   2 and  name H2'  ) 4.23 0.4 0.4
assign (resid   3 and  name H5   )(resid   2 and  name H2''  ) 4.05 0.4 0.4
assign (resid   3 and  name H5   )(resid   2 and  name H3'  ) 3.71 0.4 0.4
assign (resid   3 and  name H4'  )(resid   2 and  name H1'  ) 4.45 0.4 0.4
assign (resid   3 and  name H4'  )(resid   2 and  name H2'' ) 4.4  0.4 0.4
assign (resid   4 and  name H8   )(resid   3 and  name H2'  ) 4.09 0.4 0.4
assign (resid   4 and  name H8   )(resid   3 and  name H2''  ) 3.86 0.4 0.4
assign (resid   4 and  name H8   )(resid   3 and  name H3'  ) 3.90 0.4 0.4
assign (resid   4 and  name H4'  )(resid   3 and  name H2'' ) 4.50 0.5 0.5

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H5*    T   1          1H5*        T   1   2.946   9.129   1.570
    2   2H5*    T   1          2H5*        T   1   1.658   8.133   2.278
    3    H4*    T   1           H4*        T   1   4.601   8.173   3.015
    4    H3*    T   1           H3*        T   1   2.956   6.540   1.305
    5   1H2*    T   1          1H2*        T   1   2.460   4.786   2.637
    6   2H2*    T   1          2H2*        T   1   4.203   4.556   2.945
    7    H1*    T   1           H1*        T   1   3.992   5.433   5.058
    8    H3     T   1           H3         T   1   0.593   3.952   7.545
    9   1H5M    T   1          1H5M        T   1  -1.423   6.033   2.956
   10   2H5M    T   1          2H5M        T   1  -2.342   6.293   4.459
   11   3H5M    T   1          3H5M        T   1  -2.258   4.668   3.737
   12    H6     T   1           H6         T   1   0.818   6.159   3.288
   13   H5T     T   1          H5T         T   1   2.652   9.393   4.294
   14   1H5*    A   2          1H5*        A   2   7.436   4.640   4.264
   15   2H5*    A   2          2H5*        A   2   8.658   4.223   3.045
   16    H4*    A   2           H4*        A   2   7.645   2.297   4.427
   17    H3*    A   2           H3*        A   2   8.479   2.475   1.703
   18    H2*    A   2           H2*        A   2   6.640   1.770   0.618
   19    H1*    A   2           H1*        A   2   5.174   0.583   2.862
   20    H8     A   2           H8         A   2   5.264   3.106  -0.010
   21   1H6     A   2          1H6         A   2  -0.884   2.928   0.111
   22   2H6     A   2          2H6         A   2   0.517   3.522  -0.752
   23    H2     A   2           H2         A   2   0.645   0.615   3.648
   24   2H2*    A   2          2H2*        A   2   6.838   0.221   1.406
   25   1H5*    C   3          1H5*        C   3   7.875  -1.299   2.611
   26   2H5*    C   3          2H5*        C   3   9.110  -2.556   2.823
   27    H4*    C   3           H4*        C   3   7.387  -3.635   1.631
   28    H3*    C   3           H3*        C   3   9.828  -2.949   0.214
   29    H2*    C   3           H2*        C   3   9.030  -2.407  -1.828
   30    H1*    C   3           H1*        C   3   6.188  -2.741  -1.446
   31   1H4     C   3          1H4         C   3   8.036   3.281  -3.485
   32   2H4     C   3          2H4         C   3   6.436   2.995  -4.132
   33    H5     C   3           H5         C   3   9.191   1.706  -2.074
   34    H6     C   3           H6         C   3   9.023  -0.474  -0.937
   35   2H2*    C   3          2H2*        C   3   8.062  -3.885  -1.852
   36   1H5*    G   4          1H5*        G   4   6.711  -6.282  -2.352
   37   2H5*    G   4          2H5*        G   4   6.719  -8.024  -2.008
   38    H4*    G   4           H4*        G   4   7.727  -7.710  -4.166
   39    H3*    G   4           H3*        G   4   9.285  -8.656  -1.896
   40    H2*    G   4           H2*        G   4  11.306  -7.796  -2.359
   41    H1*    G   4           H1*        G   4  10.763  -6.203  -4.669
   42    H8     G   4           H8         G   4  10.788  -6.270  -0.912
   43    H1     G   4           H1         G   4  13.508  -1.086  -3.400
   44   1H2     G   4          1H2         G   4  13.234  -1.084  -5.601
   45   2H2     G   4          2H2         G   4  12.382  -2.359  -6.443
   46    H3T    G   4           H3T        G   4   8.359  -9.485  -4.245
   47   2H2*    G   4          2H2*        G   4  11.175  -8.299  -4.044
  Start of MODEL    2
    1   1H5*    T   1          1H5*        T   1   2.836   9.788  -1.350
    2   2H5*    T   1          2H5*        T   1   3.788   8.993  -2.620
    3    H4*    T   1           H4*        T   1   5.018   8.584  -0.660
    4    H3*    T   1           H3*        T   1   3.568   6.394  -1.846
    5   1H2*    T   1          1H2*        T   1   2.702   5.346  -0.044
    6   2H2*    T   1          2H2*        T   1   4.334   5.275   0.677
    7    H1*    T   1           H1*        T   1   3.794   6.945   2.160
    8    H3     T   1           H3         T   1  -0.142   6.664   4.251
    9   1H5M    T   1          1H5M        T   1  -1.094   6.971  -1.071
   10   2H5M    T   1          2H5M        T   1  -2.383   7.292   0.114
   11   3H5M    T   1          3H5M        T   1  -1.898   5.616  -0.242
   12    H6     T   1           H6         T   1   1.098   6.876  -0.382
   13   H5T     T   1          H5T         T   1   1.572   8.508  -2.785
   14   1H5*    A   2          1H5*        A   2   7.351   6.058   2.378
   15   2H5*    A   2          2H5*        A   2   8.739   5.124   1.785
   16    H4*    A   2           H4*        A   2   7.223   4.043   3.581
   17    H3*    A   2           H3*        A   2   8.647   2.965   1.341
   18    H2*    A   2           H2*        A   2   7.034   1.793   0.304
   19    H1*    A   2           H1*        A   2   4.979   1.818   2.388
   20    H8     A   2           H8         A   2   6.027   2.729  -1.177
   21   1H6     A   2          1H6         A   2   0.045   2.542  -2.601
   22   2H6     A   2          2H6         A   2   1.668   2.692  -3.237
   23    H2     A   2           H2         A   2   0.429   2.132   1.859
   24   2H2*    A   2          2H2*        A   2   6.876   0.818   1.747
   25   1H5*    C   3          1H5*        C   3   7.683   0.086   4.034
   26   2H5*    C   3          2H5*        C   3   8.780  -1.023   4.881
   27    H4*    C   3           H4*        C   3   7.006  -2.361   4.004
   28    H3*    C   3           H3*        C   3   9.702  -2.586   2.938
   29    H2*    C   3           H2*        C   3   9.283  -3.006   0.758
   30    H1*    C   3           H1*        C   3   6.395  -2.918   0.709
   31   1H4     C   3          1H4         C   3   9.382   1.250  -3.479
   32   2H4     C   3          2H4         C   3   7.856   0.805  -4.208
   33    H5     C   3           H5         C   3  10.091   0.464  -1.314
   34    H6     C   3           H6         C   3   9.447  -0.889   0.643
   35   2H2*    C   3          2H2*        C   3   8.113  -4.251   1.212
   36   1H5*    G   4          1H5*        G   4   6.079  -6.809   1.579
   37   2H5*    G   4          2H5*        G   4   6.428  -7.943   2.900
   38    H4*    G   4           H4*        G   4   6.850  -8.913   0.641
   39    H3*    G   4           H3*        G   4   8.719  -8.795   2.870
   40    H2*    G   4           H2*        G   4  10.679  -8.602   1.792
   41    H1*    G   4           H1*        G   4   9.841  -8.333  -0.927
   42    H8     G   4           H8         G   4  10.534  -6.498   2.279
   43    H1     G   4           H1         G   4  13.073  -3.735  -2.858
   44   1H2     G   4          1H2         G   4  12.407  -4.804  -4.684
   45   2H2     G   4          2H2         G   4  11.342  -6.191  -4.626
   46    H3T    G   4           H3T        G   4   8.358 -10.837   0.928
   47   2H2*    G   4          2H2*        G   4  10.216  -9.860   0.648
  Start of MODEL    3
    1   1H5*    T   1          1H5*        T   1   2.428   9.478   1.850
    2   2H5*    T   1          2H5*        T   1   3.371   9.237   0.366
    3    H4*    T   1           H4*        T   1   4.807   8.408   2.003
    4    H3*    T   1           H3*        T   1   3.417   6.463   0.394
    5   1H2*    T   1          1H2*        T   1   2.826   4.905   1.916
    6   2H2*    T   1          2H2*        T   1   4.526   4.814   2.456
    7    H1*    T   1           H1*        T   1   4.022   5.983   4.369
    8    H3     T   1           H3         T   1   0.370   4.732   6.615
    9   1H5M    T   1          1H5M        T   1  -1.759   4.749   2.154
   10   2H5M    T   1          2H5M        T   1  -1.176   6.366   1.691
   11   3H5M    T   1          3H5M        T   1  -2.352   6.189   3.016
   12    H6     T   1           H6         T   1   1.084   6.305   2.136
   13   H5T     T   1          H5T         T   1   2.091   7.613  -0.218
   14   1H5*    A   2          1H5*        A   2   7.622   5.312   4.005
   15   2H5*    A   2          2H5*        A   2   8.954   4.571   3.096
   16    H4*    A   2           H4*        A   2   7.494   3.031   4.569
   17    H3*    A   2           H3*        A   2   8.779   2.638   2.045
   18    H2*    A   2           H2*        A   2   7.065   1.910   0.784
   19    H1*    A   2           H1*        A   2   5.142   1.287   2.913
   20    H8     A   2           H8         A   2   5.957   3.222  -0.287
   21   1H6     A   2          1H6         A   2  -0.110   3.429  -1.273
   22   2H6     A   2          2H6         A   2   1.466   3.768  -1.951
   23    H2     A   2           H2         A   2   0.576   1.722   2.828
   24   2H2*    A   2          2H2*        A   2   6.955   0.519   1.840
   25   1H5*    C   3          1H5*        C   3   7.597  -0.836   3.447
   26   2H5*    C   3          2H5*        C   3   8.630  -2.136   4.075
   27    H4*    C   3           H4*        C   3   7.001  -3.261   2.797
   28    H3*    C   3           H3*        C   3   9.694  -3.052   1.723
   29    H2*    C   3           H2*        C   3   9.281  -2.842  -0.487
   30    H1*    C   3           H1*        C   3   6.395  -2.856  -0.537
   31   1H4     C   3          1H4         C   3   9.213   2.478  -3.264
   32   2H4     C   3          2H4         C   3   7.708   2.209  -4.113
   33    H5     C   3           H5         C   3   9.947   1.119  -1.414
   34    H6     C   3           H6         C   3   9.360  -0.780   0.043
   35   2H2*    C   3          2H2*        C   3   8.164  -4.210  -0.421
   36   1H5*    G   4          1H5*        G   4   6.115  -7.243  -0.618
   37   2H5*    G   4          2H5*        G   4   7.229  -8.357   0.200
   38    H4*    G   4           H4*        G   4   6.980  -8.409  -2.425
   39    H3*    G   4           H3*        G   4   9.197  -8.918  -0.600
   40    H2*    G   4           H2*        G   4  10.933  -8.157  -1.807
   41    H1*    G   4           H1*        G   4   9.626  -6.956  -4.041
   42    H8     G   4           H8         G   4  10.802  -6.434  -0.510
   43    H1     G   4           H1         G   4  12.245  -1.634  -4.427
   44   1H2     G   4          1H2         G   4  11.301  -1.976  -6.405
   45   2H2     G   4          2H2         G   4  10.321  -3.384  -6.748
   46    H3T    G   4           H3T        G   4   9.402 -10.699  -2.119
   47   2H2*    G   4          2H2*        G   4  10.312  -8.926  -3.266
  Start of MODEL    4
    1   1H5*    T   1          1H5*        T   1   3.906   9.790   0.788
    2   2H5*    T   1          2H5*        T   1   4.478  10.812   2.122
    3    H4*    T   1           H4*        T   1   6.125   8.914   2.656
    4    H3*    T   1           H3*        T   1   4.860   7.826   0.306
    5   1H2*    T   1          1H2*        T   1   3.353   6.392   1.184
    6   2H2*    T   1          2H2*        T   1   4.660   5.631   2.134
    7    H1*    T   1           H1*        T   1   3.904   6.637   4.057
    8    H3     T   1           H3         T   1  -0.486   6.488   4.855
    9   1H5M    T   1          1H5M        T   1  -0.800   7.832   0.072
   10   2H5M    T   1          2H5M        T   1   0.252   9.254   0.273
   11   3H5M    T   1          3H5M        T   1  -1.330   9.196   1.086
   12    H6     T   1           H6         T   1   2.128   8.269   1.244
   13   H5T     T   1          H5T         T   1   6.656  10.204   1.045
   14   1H5*    A   2          1H5*        A   2   7.083   4.738   4.567
   15   2H5*    A   2          2H5*        A   2   8.449   3.846   3.868
   16    H4*    A   2           H4*        A   2   6.344   2.511   4.578
   17    H3*    A   2           H3*        A   2   8.219   2.192   2.437
   18    H2*    A   2           H2*        A   2   6.851   2.043   0.660
   19    H1*    A   2           H1*        A   2   4.291   1.669   2.032
   20    H8     A   2           H8         A   2   6.439   3.722  -0.374
   21   1H6     A   2          1H6         A   2   1.160   5.722  -2.818
   22   2H6     A   2          2H6         A   2   2.901   5.700   2.985
   23    H2     A   2           H2         A   2   0.176   3.368   0.883
   24   2H2*    A   2          2H2*        A   2   6.151   0.610   1.377
   25   1H5*    C   3          1H5*        C   3   6.061  -1.108   2.879
   26   2H5*    C   3          2H5*        C   3   6.631  -2.699   3.422
   27    H4*    C   3           H4*        C   3   5.178  -3.147   1.603
   28    H3*    C   3           H3*        C   3   8.033  -3.543   1.286
   29    H2*    C   3           H2*        C   3   8.356  -2.884  -0.851
   30    H1*    C   3           H1*        C   3   5.685  -2.118  -1.635
   31   1H4     C   3          1H4         C   3  10.251   2.631  -2.300
   32   2H4     C   3          2H4         C   3   9.049   2.905  -3.541
   33    H5     C   3           H5         C   3  10.095   0.854  -0.680
   34    H6     C   3           H6         C   3   8.710  -1.022   0.120
   35   2H2*    C   3          2H2*        C   3   7.006  -3.899  -1.372
   36   1H5*    G   4          1H5*        G   4   7.320  -6.049  -1.022
   37   2H5*    G   4          2H5*        G   4   6.420  -6.549  -2.467
   38    H4*    G   4           H4*        G   4   6.387  -8.863  -1.689
   39    H3*    G   4           H3*        G   4   7.108  -7.622   0.842
   40    H2*    G   4           H2*        G   4   9.190  -8.402   1.138
   41    H1*    G   4           H1*        G   4   9.623  -9.860  -1.293
   42    H8     G   4           H8         G   4   9.897  -6.500   0.375
   43    H1     G   4           H1         G   4  15.119  -8.220  -2.824
   44   1H2     G   4          1H2         G   4  14.735 -10.113  -3.915
   45   2H2     G   4          2H2         G   4  13.195 -10.940  -3.848
   46    H3T    G   4           H3T        G   4   5.440  -9.158   0.531
   47   2H2*    G   4          2H2*        G   4   8.673 -10.033   0.713
  Start of MODEL    5
    1   1H5*    T   1          1H5*        T   1  -0.671   6.715   0.568
    2   2H5*    T   1          2H5*        T   1  -0.522   7.633  -0.944
    3    H4*    T   1           H4*        T   1   1.705   6.939  -1.289
    4    H3*    T   1           H3*        T   1   0.834   4.553   0.075
    5   1H2*    T   1          1H2*        T   1   1.987   4.657   2.013
    6   2H2*    T   1          2H2*        T   1   3.497   4.855   1.083
    7    H1*    T   1           H1*        T   1   3.586   7.087   1.617
    8    H3     T   1           H3         T   1   2.876   8.187   5.886
    9   1H5M    T   1          1H5M        T   1  -1.171   5.913   6.019
   10   2H5M    T   1          2H5M        T   1  -1.179   5.022   4.478
   11   3H5M    T   1          3H5M        T   1  -1.831   6.676   4.553
   12    H6     T   1           H6         T   1   0.219   5.898   2.607
   13   H5T     T   1          H5T         T   1  -1.391   5.137  -0.570
   14   1H5*    A   2          1H5*        A   2   6.211   6.132  -0.714
   15   2H5*    A   2          2H5*        A   2   6.959   5.011  -1.871
   16    H4*    A   2           H4*        A   2   7.801   4.923   0.554
   17    H3*    A   2           H3*        A   2   7.362   2.876  -1.383
   18    H2*    A   2           H2*        A   2   5.997   1.483  -0.261
   19    H1*    A   2           H1*        A   2   6.432   2.488   2.464
   20    H8     A   2           H8         A   2   3.986   1.672  -0.365
   21   1H6     A   2          1H6         A   2  -0.312   1.128   4.000
   22   2H6     A   2          2H6         A   2   0.046   0.908   2.302
   23    H2     A   2           H2         A   2   3.423   2.736   5.918
   24   2H2*    A   2          2H2*        A   2   7.314   1.196   0.854
   25   1H5*    C   3          1H5*        C   3   9.364   1.287   1.638
   26   2H5*    C   3          2H5*        C   3  11.052   0.743   1.573
   27    H4*    C   3           H4*        C   3   9.925  -0.948   2.783
   28    H3*    C   3           H3*        C   3  10.791  -1.505   0.064
   29    H2*    C   3           H2*        C   3   9.138  -2.865  -0.663
   30    H1*    C   3           H1*        C   3   7.364  -2.895   1.607
   31   1H4     C   3          1H4         C   3   4.639  -0.738  -4.028
   32   2H4     C   3          2H4         C   3   3.360  -1.491  -3.102
   33    H5     C   3           H5         C   3   6.905  -0.539  -3.232
   34    H6     C   3           H6         C   3   8.415  -0.979  -1.335
   35   2H2*    C   3          2H2*        C   3   9.242  -3.813   0.825
   36   1H5*    G   4          1H5*        G   4  12.993  -5.472   3.182
   37   2H5*    G   4          2H5*        G   4  12.685  -4.548   1.698
   38    H4*    G   4           H4*        G   4  12.041  -7.459   2.251
   39    H3*    G   4           H3*        G   4  14.127  -6.010   0.830
   40    H2*    G   4           H2*        G   4  13.559  -6.399  -1.305
   41    H1*    G   4           H1*        G   4  11.095  -7.828  -1.011
   42    H8     G   4           H8         G   4  12.665  -4.423  -1.280
   43    H1     G   4           H1         G   4   7.612  -5.228  -5.060
   44   1H2     G   4          1H2         G   4   6.677  -7.197  -4.646
   45   2H2     G   4          2H2         G   4   7.303  -8.299  -3.441
   46    H3T    G   4           H3T        G   4  15.005  -7.726   1.652
   47   2H2*    G   4          2H2*        G   4  13.302  -8.109  -0.960
  Start of MODEL    6
    1   1H5*    T   1          1H5*        T   1   3.527   9.738   3.310
    2   2H5*    T   1          2H5*        T   1   3.484   8.979   1.706
    3    H4*    T   1           H4*        T   1   5.223   8.081   3.351
    4    H3*    T   1           H3*        T   1   3.483   6.715   1.500
    5   1H2*    T   1          1H2*        T   1   2.770   4.952   2.717
    6   2H2*    T   1          2H2*        T   1   4.468   4.543   3.088
    7    H1*    T   1           H1*        T   1   4.234   5.336   5.232
    8    H3     T   1           H3         T   1   0.576   4.101   7.476
    9   1H5M    T   1          1H5M        T   1  -2.291   5.906   4.332
   10   2H5M    T   1          2H5M        T   1  -1.318   5.650   2.864
   11   3H5M    T   1          3H5M        T   1  -1.289   7.228   3.686
   12    H6     T   1           H6         T   1   1.248   6.472   3.356
   13   H5T     T   1          H5T         T   1   1.553   8.283   2.095
   14   1H5*    A   2          1H5*        A   2   7.854   4.500   4.454
   15   2H5*    A   2          2H5*        A   2   8.983   3.796   3.278
   16    H4*    A   2           H4*        A   2   7.509   2.197   4.698
   17    H3*    A   2           H3*        A   2   8.501   2.068   2.010
   18    H2*    A   2           H2*        A   2   6.616   1.622   0.870
   19    H1*    A   2           H1*        A   2   4.855   0.923   3.109
   20    H8     A   2           H8         A   2   5.559   3.152   0.080
   21   1H6     A   2          1H6         A   2  -0.521   4.057  -0.207
   22   2H6     A   2          2H6         A   2   1.009   4.329  -1.010
   23    H2     A   2           H2         A   2   0.374   1.799   3.574
   24   2H2*    A   2          2H2*        A   2   6.476   0.133   1.777
   25   1H5*    C   3          1H5*        C   3   7.170  -1.454   3.135
   26   2H5*    C   3          2H5*        C   3   8.122  -2.910   3.489
   27    H4*    C   3           H4*        C   3   6.255  -3.715   2.294
   28    H3*    C   3           H3*        C   3   8.831  -3.645   0.961
   29    H2*    C   3           H2*        C   3   8.242  -3.091  -1.148
   30    H1*    C   3           H1*        C   3   5.380  -2.819  -0.904
   31   1H4     C   3          1H4         C   3   8.506   2.548  -3.196
   32   2H4     C   3          2H4         C   3   6.909   2.548  -3.909
   33    H5     C   3           H5         C   3   9.252   0.879  -1.627
   34    H6     C   3           H6         C   3   8.595  -1.139  -0.374
   35   2H2*    C   3          2H2*        C   3   6.994  -4.342  -1.137
   36   1H5*    G   4          1H5*        G   4   6.693  -6.901  -2.323
   37   2H5*    G   4          2H5*        G   4   7.587  -8.118  -1.391
   38    H4*    G   4           H4*        G   4   7.926  -8.148  -3.923
   39    H3*    G   4           H3*        G   4   9.863  -8.363  -1.764
   40    H2*    G   4           H2*        G   4  11.640  -7.323  -2.657
   41    H1*    G   4           H1*        G   4  10.584  -6.377  -5.144
   42    H8     G   4           H8         G   4  11.036  -5.596  -1.495
   43    H1     G   4           H1         G   4  12.590  -0.788  -5.360
   44   1H2     G   4          1H2         G   4  12.080  -1.320  -7.452
   45   2H2     G   4          2H2         G   4  11.360  -2.855  -7.883
   46    H3T    G   4           H3T        G   4   9.744  -9.612  -4.322
   47   2H2*    G   4          2H2*        G   4  11.427  -8.194  -4.175
  Start of MODEL    7
    1   1H5*    T   1          1H5*        T   1  -1.093   5.227   0.442
    2   2H5*    T   1          2H5*        T   1  -0.810   5.247   2.195
    3    H4*    T   1           H4*        T   1   0.960   6.524   0.077
    4    H3*    T   1           H3*        T   1   0.832   3.851   1.155
    5   1H2*    T   1          1H2*        T   1   2.397   3.911   2.781
    6   2H2*    T   1          2H2*        T   1   3.580   4.537   1.599
    7    H1*    T   1           H1*        T   1   3.433   6.642   2.508
    8    H3     T   1           H3         T   1   3.574   6.985   6.957
    9   1H5M    T   1          1H5M        T   1  -0.783   4.056   5.674
   10   2H5M    T   1          2H5M        T   1  -0.518   4.660   7.327
   11   3H5M    T   1          3H5M        T   1   0.343   3.209   6.761
   12    H6     T   1           H6         T   1   0.642   4.671   3.942
   13   H5T     T   1          H5T         T   1  -1.721   7.111   2.250
   14   1H5*    A   2          1H5*        A   2   5.721   6.181  -0.643
   15   2H5*    A   2          2H5*        A   2   6.336   5.170  -1.966
   16    H4*    A   2           H4*        A   2   7.401   4.897   0.378
   17    H3*    A   2           H3*        A   2   6.839   3.035  -1.727
   18    H2*    A   2           H2*        A   2   5.752   1.411  -0.616
   19    H1*    A   2           H1*        A   2   6.280   2.231   2.138
   20    H8     A   2           H8         A   2   3.736   1.578  -0.643
   21   1H6     A   2          1H6         A   2  -0.291   0.310   3.833
   22   2H6     A   2          2H6         A   2  -0.016   0.302   2.105
   23    H2     A   2           H2         A   2   3.455   1.905   5.739
   24   2H2*    A   2          2H2*        A   2   7.175   1.189   0.373
   25   1H5*    C   3          1H5*        C   3   9.718   1.663   0.845
   26   2H5*    C   3          2H5*        C   3  11.341   1.064   0.446
   27    H4*    C   3           H4*        C   3  10.313  -0.569   1.872
   28    H3*    C   3           H3*        C   3  10.917  -1.151  -0.913
   29    H2*    C   3           H2*        C   3   9.197  -2.507  -1.465
   30    H1*    C   3           H1*        C   3   7.690  -2.545   1.000
   31   1H4     C   3          1H4         C   3   4.278  -0.576  -4.321
   32   2H4     C   3          2H4         C   3   3.137  -1.345  -3.240
   33    H5     C   3           H5         C   3   6.612  -0.291  -3.791
   34    H6     C   3           H6         C   3   8.342  -0.655  -2.073
   35   2H2*    C   3          2H2*        C   3   9.463  -3.459   0.000
   36   1H5*    G   4          1H5*        G   4   9.666  -5.221   2.300
   37   2H5*    G   4          2H5*        G   4  10.976  -6.084   3.129
   38    H4*    G   4           H4*        G   4  10.036  -7.494   1.374
   39    H3*    G   4           H3*        G   4  12.807  -6.593   1.404
   40    H2*    G   4           H2*        G   4  13.252  -6.476  -0.794
   41    H1*    G   4           H1*        G   4  10.692  -6.975  -1.952
   42    H8     G   4           H8         G   4  12.958  -4.350  -0.506
   43    H1     G   4           H1         G   4  10.229  -2.636  -5.991
   44   1H2     G   4          1H2         G   4   8.766  -4.183  -6.610
   45   2H2     G   4          2H2         G   4   8.470  -5.628  -5.670
   46    H3T    G   4           H3T        G   4  11.390  -8.787   1.730
   47   2H2*    G   4          2H2*        G   4  12.452  -8.022  -1.080
  Start of MODEL    8
    1   1H5*    T   1          1H5*        T   1   2.488   8.841   0.561
    2   2H5*    T   1          2H5*        T   1   1.311   7.936   1.534
    3    H4*    T   1           H4*        T   1   4.271   8.316   2.093
    4    H3*    T   1           H3*        T   1   2.733   6.297   0.746
    5   1H2*    T   1          1H2*        T   1   2.365   4.777   2.375
    6   2H2*    T   1          2H2*        T   1   4.125   4.708   2.670
    7    H1*    T   1           H1*        T   1   3.889   5.913   4.612
    8    H3     T   1           H3         T   1   0.606   4.709   7.389
    9   1H5M    T   1          1H5M        T   1  -2.565   6.191   4.121
   10   2H5M    T   1          2H5M        T   1  -2.227   4.592   3.414
   11   3H5M    T   1          3H5M        T   1  -1.608   6.063   2.625
   12    H6     T   1           H6         T   1   0.658   6.161   2.814
   13   H5T     T   1          H5T         T   1   1.472   9.467   3.130
   14   1H5*    A   2          1H5*        A   2   7.319   5.440   3.897
   15   2H5*    A   2          2H5*        A   2   8.684   5.014   2.846
   16    H4*    A   2           H4*        A   2   7.898   3.177   4.404
   17    H3*    A   2           H3*        A   2   8.612   3.062   1.627
   18    H2*    A   2           H2*        A   2   6.886   1.905   0.772
   19    H1*    A   2           H1*        A   2   5.616   0.992   3.242
   20    H8     A   2           H8         A   2   5.373   2.964  -0.023
   21   1H6     A   2          1H6         A   2  -0.711   2.134   0.342
   22   2H6     A   2          2H6         A   2   0.601   2.711  -0.661
   23    H2     A   2           H2         A   2   1.124   0.676   4.177
   24   2H2*    A   2          2H2*        A   2   7.299   0.577   1.829
   25   1H5*    C   3          1H5*        C   3   9.091  -0.620   3.524
   26   2H5*    C   3          2H5*        C   3  10.503  -1.689   3.391
   27    H4*    C   3           H4*        C   3   8.521  -2.967   2.852
   28    H3*    C   3           H3*        C   3  10.630   1.000   0.921
   29    H2*    C   3           H2*        C   3   9.457  -2.276  -1.002
   30    H1*    C   3           H1*        C   3   6.747  -2.532  -0.071
   31   1H4     C   3          1H4         C   3   8.101   3.134  -3.215
   32   2H4     C   3          2H4         C   3   6.413   2.781  -3.511
   33    H5     C   3           H5         C   3   9.514   1.763  -1.828
   34    H6     C   3           H6         C   3   9.587  -0.240  -0.392
   35   2H2*    C   3          2H2*        C   3   8.548  -3.738  -0.601
   36   1H5*    G   4          1H5*        G   4   6.889  -5.618  -1.032
   37   2H5*    G   4          2H5*        G   4   6.833  -7.038   0.031
   38    H4*    G   4           H4*        G   4   6.848  -7.925  -2.161
   39    H3*    G   4           H3*        G   4   9.253  -8.168  -0.544
   40    H2*    G   4           H2*        G   4  10.857  -8.028  -2.106
   41    H1*    G   4           H1*        G   4   9.338  -7.501  -4.475
   42    H8     G   4           H8         G   4  11.053  -5.953  -1.510
   43    H1     G   4           H1         G   4  12.433  -3.126  -7.040
   44   1H2     G   4          1H2         G   4  11.198  -4.010  -8.656
   45   2H2     G   4          2H2         G   4  10.042  -5.290  -8.364
   46    H3T    G   4           H3T        G   4   8.163  -9.988  -2.436
   47   2H2*    G   4          2H2*        G   4   9.990  -9.161  -3.143
  Start of MODEL    9
    1   1H5*    T   1          1H5*        T   1   1.998   8.275   2.471
    2   2H5*    T   1          2H5*        T   1   2.678   9.311   3.743
    3    H4*    T   1           H4*        T   1   4.509   7.703   4.090
    4    H3*    T   1           H3*        T   1   3.621   6.707   1.537
    5   1H2*    T   1          1H2*        T   1   2.526   4.814   2.102
    6   2H2*    T   1          2H2*        T   1   3.964   4.276   3.014
    7    H1*    T   1           H1*        T   1   2.918   4.738   5.007
    8    H3     T   1           H3         T   1  -1.311   3.393   5.498
    9   1H5M    T   1          1H5M        T   1  -1.418   7.087   1.659
   10   2H5M    T   1          2H5M        T   1  -2.801   6.010   1.969
   11   3H5M    T   1          3H5M        T   1  -1.521   5.511   0.837
   12    H6     T   1           H6         T   1   0.857   6.294   2.348
   13   H5T     T   1          H5T         T   1   4.238   8.538   1.528
   14   1H5*    A   2          1H5*        A   2   6.683   3.821   5.481
   15   2H5*    A   2          2H5*        A   2   8.205   3.375   4.684
   16    H4*    A   2           H4*        A   2   6.467   1.509   5.191
   17    H3*    A   2           H3*        A   2   8.352   1.897   3.069
   18    H2*    A   2           H2*        A   2   7.036   1.657   1.262
   19    H1*    A   2           H1*        A   2   4.659   0.518   2.545
   20    H8     A   2           H8         A   2   6.207   3.283   0.404
   21   1H6     A   2          1H6         A   2   0.557   4.184  -1.860
   22   2H6     A   2          2H6         A   2   2.247   4.605  -2.014
   23    H2     A   2           H2         A   2   0.244   1.272   1.550
   24   2H2*    A   2          2H2*        A   2   6.705   0.020   1.781
   25   1H5*    C   3          1H5*        C   3   7.140  -2.029   3.228
   26   2H5*    C   3          2H5*        C   3   8.228  -3.426   3.356
   27    H4*    C   3           H4*        C   3   6.670  -3.862   1.570
   28    H3*    C   3           H3*        C   3   9.516  -3.545   1.097
   29    H2*    C   3           H2*        C   3   9.532  -2.494  -0.903
   30    H1*    C   3           H1*        C   3   6.711  -2.211  -1.436
   31   1H4     C   3          1H4         C   3  10.120   3.466  -1.392
   32   2H4     C   3          2H4         C   3   8.802   3.674  -2.524
   33    H5     C   3           H5         C   3  10.463   1.448  -0.119
   34    H6     C   3           H6         C   3   9.561  -0.793   0.378
   35   2H2*    C   3          2H2*        C   3   8.388  -3.679  -1.543
   36   1H5*    G   4          1H5*        G   4   7.564  -6.967  -0.790
   37   2H5*    G   4          2H5*        G   4   8.136  -8.644  -0.689
   38    H4*    G   4           H4*        G   4   7.794  -8.180  -3.007
   39    H3*    G   4           H3*        G   4  10.498  -8.527  -1.966
   40    H2*    G   4           H2*        G   4  11.668  -7.216  -3.367
   41    H1*    G   4           H1*        G   4   9.598  -5.931  -4.850
   42    H8     G   4           H8         G   4  11.654  -5.830  -1.707
   43    H1     G   4           H1         G   4  11.155  -0.198  -4.622
   44   1H2     G   4          1H2         G   4   9.743  -0.363  -6.324
   45   2H2     G   4          2H2         G   4   8.933  -1.859  -6.734
   46    H3T    G   4           H3T        G   4  10.385  -9.727  -4.175
   47   2H2*    G   4          2H2*        G   4  10.768  -7.821  -4.757
  Start of MODEL   10
    1   1H5*    T   1          1H5*        T   1   3.032   8.791  -0.241
    2   2H5*    T   1          2H5*        T   1   1.782   7.866   0.616
    3    H4*    T   1           H4*        T   1   4.671   8.308   1.404
    4    H3*    T   1           H3*        T   1   3.166   6.175   0.200
    5   1H2*    T   1          1H2*        T   1   2.687   4.851   1.965
    6   2H2*    T   1          2H2*        T   1   4.428   4.788   2.355
    7    H1*    T   1           H1*        T   1   4.129   6.212   4.134
    8    H3     T   1           H3         T   1   0.721   5.322   6.878
    9   1H5M    T   1          1H5M        T   1  -1.649   4.852   2.409
   10   2H5M    T   1          2H5M        T   1  -1.440   6.600   2.146
   11   3H5M    T   1          3H5M        T   1  -2.423   6.016   3.511
   12    H6     T   1           H6         T   1   0.981   6.289   2.183
   13   H5T     T   1          H5T         T   1   2.278   9.534   2.362
   14   1H5*    A   2          1H5*        A   2   7.618   5.534   3.573
   15   2H5*    A   2          2H5*        A   2   8.994   4.857   2.678
   16    H4*    A   2           H4*        A   2   7.802   3.287   4.311
   17    H3*    A   2           H3*        A   2   8.899   2.834   1.713
   18    H2*    A   2           H2*        A   2   7.162   1.884   0.646
   19    H1*    A   2           H1*        A   2   5.459   1.255   2.946
   20    H8     A   2           H8         A   2   5.895   3.050  -0.405
   21   1H6     A   2          1H6         A   2  -0.231   2.811  -0.917
   22   2H6     A   2          2H6         A   2   1.263   3.207  -1.735
   23    H2     A   2           H2         A   2   0.876   1.404   3.206
   24   2H2*    A   2          2H2*        A   2   7.250   0.566   1.792
   25   1H5*    C   3          1H5*        C   3   8.451  -0.812   3.697
   26   2H5*    C   3          2H5*        C   3   9.740  -2.026   3.820
   27    H4*    C   3           H4*        C   3   7.743  -3.097   2.962
   28    H3*    C   3           H3*        C   3  10.206  -2.887   1.433
   29    H2*    C   3           H2*        C   3   9.414  -2.662  -0.673
   30    H1*    C   3           H1*        C   3   6.571  -2.592  -0.230
   31   1H4     C   3          1H4         C   3   9.056   2.765  -3.224
   32   2H4     C   3          2H4         C   3   7.415   2.577  -3.799
   33    H5     C   3           H5         C   3  10.056   1.308  -1.586
   34    H6     C   3           H6         C   3   9.663  -0.627  -0.110
   35   2H2*    C   3          2H2*        C   3   8.291  -4.001  -0.411
   36   1H5*    G   4          1H5*        G   4   6.055  -6.710  -0.090
   37   2H5*    G   4          2H5*        G   4   6.779  -8.143   0.667
   38    H4*    G   4           H4*        G   4   6.392  -8.309  -1.835
   39    H3*    G   4           H3*        G   4   8.768  -8.978  -0.293
   40    H2*    G   4           H2*        G   4  10.398  -8.466  -1.749
   41    H1*    G   4           H1*        G   4   8.921  -7.312  -3.911
   42    H8     G   4           H8         G   4  10.610  -6.628  -0.623
   43    H1     G   4           H1         G   4  12.066  -2.434  -5.179
   44   1H2     G   4          1H2         G   4  10.843  -2.841  -6.985
   45   2H2     G   4          2H2         G   4   9.677  -4.144  -7.056
   46    H3T    G   4           H3T        G   4   8.445 -10.898  -1.323
   47   2H2*    G   4          2H2*        G   4   9.532  -9.274  -3.056