*HEADER    DNA                                     24-JUL-14   2MS6              
*TITLE     HUMAN TELOMERIC G-QUADRUPLEX DNA SEQUENCE (TTAGGGT)4 COMPLEXED WITH   
*TITLE    2 FLAVONOID QUERCETIN                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3');                       
*COMPND   3 CHAIN: A, B, C, D;                                                   
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DNA G-QUADRUPLEX, QUERCETIN, TELOMERIC SEQUENCE, DNA                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    A.KUMAR, A.TAWANI                                                     
*REVDAT   1   28-JAN-15 2MS6    0                                                


!Apply Distance Constraint Distance:DT21:H1'-UNK:H5
NOE
ASSIGN SELE BYNUM 657 -
END -
SELE BYNUM 931 -
END -
KMIN 1 -
KMAX 30 -
RMIN 3.5 -
RMAX 4 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT21:H1'-UNK:H3
NOE
ASSIGN SELE BYNUM 657 -
END -
SELE BYNUM 929 -
END -
KMIN 1 -
KMAX 30 -
RMIN 1.8 -
RMAX 2.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG20:H8-UNK:H5
NOE
ASSIGN SELE BYNUM 639 -
END -
SELE BYNUM 931 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT21:H6-UNK:H5
NOE
ASSIGN SELE BYNUM 660 -
END -
SELE BYNUM 931 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT21:H6-UNK:H3
NOE
ASSIGN SELE BYNUM 660 -
END -
SELE BYNUM 929 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG20:H1-UNK:H5
NOE
ASSIGN SELE BYNUM 633 -
END -
SELE BYNUM 931 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG20:H1-UNK:H3
NOE
ASSIGN SELE BYNUM 633 -
END -
SELE BYNUM 929 -
END -
KMIN 1 -
KMAX 30 -
RMIN 1.8 -
RMAX 2.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG27:H2'1-UNK:H1
NOE
ASSIGN SELE BYNUM 868 -
END -
SELE BYNUM 927 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG27:H2'1-UNK:H2
NOE
ASSIGN SELE BYNUM 868 -
END -
SELE BYNUM 928 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT28:H4'-UNK:H1
NOE
ASSIGN SELE BYNUM 880 -
END -
SELE BYNUM 927 -
END -
KMIN 1 -
KMAX 30 -
RMIN 1.8 -
RMAX 2.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG27:H3'-UNK:H1
NOE
ASSIGN SELE BYNUM 870 -
END -
SELE BYNUM 927 -
END -
KMIN 1 -
KMAX 30 -
RMIN 1.8 -
RMAX 2.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG27:H3'-UNK:H2
NOE
ASSIGN SELE BYNUM 870 -
END -
SELE BYNUM 928 -
END -
KMIN 1 -
KMAX 30 -
RMIN 1.8 -
RMAX 2.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DG27:H1-UNK:H1
NOE
ASSIGN SELE BYNUM 859 -
END -
SELE BYNUM 927 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DA24:H2-UNK:H2
NOE
ASSIGN SELE BYNUM 757 -
END -
SELE BYNUM 960 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DA24:H2-UNK:H10
NOE
ASSIGN SELE BYNUM 757 -
END -
SELE BYNUM 968 -
END -
KMIN 1 -
KMAX 30 -
RMIN 4 -
RMAX 5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT22:H6-UNK:H1
NOE
ASSIGN SELE BYNUM 691 -
END -
SELE BYNUM 959 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT22:H1'-UNK:H1
NOE
ASSIGN SELE BYNUM 688 -
END -
SELE BYNUM 959 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT23:H1'-UNK:H2
NOE
ASSIGN SELE BYNUM 720 -
END -
SELE BYNUM 960 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT23:H1'-UNK:H1
NOE
ASSIGN SELE BYNUM 720 -
END -
SELE BYNUM 959 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT22:H2'2-UNK:H1
NOE
ASSIGN SELE BYNUM 704 -
END -
SELE BYNUM 959 -
END -
KMIN 1 -
KMAX 30 -
RMIN 1.8 -
RMAX 2.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT22:H2'1-UNK:H1
NOE
ASSIGN SELE BYNUM 705 -
END -
SELE BYNUM 959 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT15:H2'1-UNK:H5
NOE
ASSIGN SELE BYNUM 479 -
END -
SELE BYNUM 963 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT15:H2'1-UNK:H3
NOE
ASSIGN SELE BYNUM 479 -
END -
SELE BYNUM 961 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT15:H2'2-UNK:H5
NOE
ASSIGN SELE BYNUM 478 -
END -
SELE BYNUM 963 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END

!Apply Distance Constraint Distance:DT15:H2'2-UNK:H3
NOE
ASSIGN SELE BYNUM 478 -
END -
SELE BYNUM 961 -
END -
KMIN 1 -
KMAX 30 -
RMIN 2.5 -
RMAX 3 -
FMAX 10 
END



  Entry H atom name         Submitted Coord H atom name
    1    H5'   DT   1          1H5'        T   1 -15.535   1.402   6.893
    2   H5''   DT   1          2H5'        T   1 -14.418   1.048   5.592
    3    H4'   DT   1           H4'        T   1 -16.742  -0.623   6.706
    4    H3'   DT   1           H3'        T   1 -13.810  -1.047   5.724
    5    H2'   DT   1          1H2'        T   1 -14.251  -2.584   4.369
    6   H2''   DT   1          2H2'        T   1 -15.049  -3.577   5.591
    7    H1'   DT   1           H1'        T   1 -17.267  -2.703   4.886
    8    H3    DT   1           H3         T   1 -15.692  -4.565   0.764
    9    H71   DT   1           H71        T   1 -17.296  -0.621  -1.079
   10    H72   DT   1           H72        T   1 -18.887  -0.837  -0.309
   11    H73   DT   1           H73        T   1 -17.806   0.316   0.406
   12    H6    DT   1           H6         T   1 -17.657  -0.762   2.749
   13   HO5'   DT   1          HO5'        T   1 -17.101   1.392   4.897
   14    H5'   DT   2          1H5'        T   2 -12.530  -4.467   7.958
   15   H5''   DT   2          2H5'        T   2 -11.804  -3.556   9.208
   16    H4'   DT   2           H4'        T   2 -10.269  -5.192   7.415
   17    H3'   DT   2           H3'        T   2  -9.518  -3.051   9.404
   18    H2'   DT   2          1H2'        T   2  -7.954  -1.993   7.954
   19   H2''   DT   2          2H2'        T   2  -7.178  -3.497   7.909
   20    H1'   DT   2           H1'        T   2  -8.128  -3.997   5.840
   21    H3    DT   2           H3         T   2  -7.055  -0.828   2.980
   22    H71   DT   2           H71        T   2 -10.604   1.774   6.076
   23    H72   DT   2           H72        T   2 -10.636   1.903   4.290
   24    H73   DT   2           H73        T   2 -11.534   0.623   5.213
   25    H6    DT   2           H6         T   2 -10.280  -1.108   6.557
   26    H5'   DA   3          1H5'        A   3  -5.845  -7.068   9.711
   27   H5''   DA   3          2H5'        A   3  -4.883  -5.882  10.645
   28    H4'   DA   3           H4'        A   3  -3.755  -7.262   8.425
   29    H3'   DA   3           H3'        A   3  -2.632  -5.202   9.933
   30    H2'   DA   3          1H2'        A   3  -3.747  -3.655   8.492
   31   H2''   DA   3          2H2'        A   3  -2.037  -3.657   7.880
   32    H1'   DA   3           H1'        A   3  -2.922  -5.460   6.272
   33    H8    DA   3           H8         A   3  -4.362  -2.101   7.086
   34    H61   DA   3           H61        A   3  -4.267  -1.614   0.875
   35    H62   DA   3           H62        A   3  -4.366  -0.873   2.506
   36    H2    DA   3           H2         A   3  -3.406  -5.983   1.925
   37    H5'   DG   4          1H5'        G   4  -1.315  -9.311   7.740
   38   H5''   DG   4          2H5'        G   4   0.051  -9.973   8.189
   39    H4'   DG   4           H4'        G   4  -0.141  -9.844   5.672
   40    H3'   DG   4           H3'        G   4   2.171  -9.220   7.071
   41    H2'   DG   4          1H2'        G   4   1.901  -6.749   6.744
   42   H2''   DG   4          2H2'        G   4   3.041  -7.326   5.398
   43    H1'   DG   4           H1'        G   4   0.854  -7.627   3.956
   44    H8    DG   4           H8         G   4  -0.058  -5.137   6.855
   45    H1    DG   4           H1         G   4  -0.856  -3.232   0.633
   46    H21   DG   4           H21        G   4   0.348  -4.879  -0.683
   47    H22   DG   4           H22        G   4   0.727  -6.317   0.265
   48    H5'   DG   5          1H5'        G   5   2.341 -10.791   2.829
   49   H5''   DG   5          2H5'        G   5   3.582 -11.972   2.412
   50    H4'   DG   5           H4'        G   5   3.708 -10.349   0.545
   51    H3'   DG   5           H3'        G   5   6.035 -10.398   2.248
   52    H2'   DG   5          1H2'        G   5   5.617  -8.189   3.224
   53   H2''   DG   5          2H2'        G   5   6.439  -7.744   1.775
   54    H1'   DG   5           H1'        G   5   4.484  -7.731   0.404
   55    H8    DG   5           H8         G   5   3.944  -6.218   3.952
   56    H1    DG   5           H1         G   5   2.783  -2.378  -0.953
   57    H21   DG   5           H21        G   5   3.431  -3.556  -3.038
   58    H22   DG   5           H22        G   5   3.907  -5.205  -2.811
   59    H5'   DG   6          1H5'        G   6   5.676 -11.122  -1.881
   60   H5''   DG   6          2H5'        G   6   7.025 -11.749  -3.033
   61    H4'   DG   6           H4'        G   6   5.895 -10.018  -4.110
   62    H3'   DG   6           H3'        G   6   8.276  -8.871  -2.681
   63    H2'   DG   6          1H2'        G   6   7.901  -6.961  -4.292
   64   H2''   DG   6          2H2'        G   6   6.672  -7.872  -5.150
   65    H1'   DG   6           H1'        G   6   5.132  -7.009  -3.743
   66    H8    DG   6           H8         G   6   6.788  -7.670  -0.386
   67    H1    DG   6           H1         G   6   7.081  -1.561  -2.600
   68    H21   DG   6           H21        G   6   7.179  -1.826  -4.891
   69    H22   DG   6           H22        G   6   6.508  -3.386  -5.556
   70    H5'   DT   7          1H5'        T   7  12.490  -9.212  -3.636
   71   H5''   DT   7          2H5'        T   7  12.319  -7.868  -2.519
   72    H4'   DT   7           H4'        T   7  12.173  -7.318  -5.538
   73    H3'   DT   7           H3'        T   7  14.578  -7.934  -4.039
   74   HO3'   DT   7          'HO3        T   7  14.718  -7.311  -6.221
   75    H2'   DT   7          1H2'        T   7  14.155  -6.415  -2.313
   76   H2''   DT   7          2H2'        T   7  15.215  -5.437  -3.415
   77    H1'   DT   7           H1'        T   7  13.148  -4.311  -4.150
   78    H3    DT   7           H3         T   7  13.463  -2.213  -0.244
   79    H71   DT   7           H71        T   7   9.225  -5.660  -0.318
   80    H72   DT   7           H72        T   7   9.992  -5.505   1.173
   81    H73   DT   7           H73        T   7   9.121  -4.151   0.612
   82    H6    DT   7           H6         T   7  10.989  -5.944  -1.985
   83    H5'   DT   8          1H5'        T   8 -11.761   6.235  -4.422
   84   H5''   DT   8          2H5'        T   8 -13.154   5.856  -3.440
   85    H4'   DT   8           H4'        T   8 -12.252   8.759  -4.029
   86    H3'   DT   8           H3'        T   8 -10.918   7.116  -2.340
   87    H2'   DT   8          1H2'        T   8 -13.050   6.435  -1.158
   88   H2''   DT   8          2H2'        T   8 -12.438   7.672  -0.129
   89    H1'   DT   8           H1'        T   8 -13.795   9.335  -1.119
   90    H3    DT   8           H3         T   8 -17.247   8.287   1.457
   91    H71   DT   8           H71        T   8 -17.397   4.105  -1.722
   92    H72   DT   8           H72        T   8 -18.717   5.262  -2.165
   93    H73   DT   8           H73        T   8 -17.127   5.171  -3.055
   94    H6    DT   8           H6         T   8 -15.487   6.296  -2.477
   95   HO5'   DT   8          HO5'        T   8 -13.151   7.096  -5.954
   96    H5'   DT   9          1H5'        T   9 -10.651  10.134   0.954
   97   H5''   DT   9          2H5'        T   9  -9.106  10.937   0.877
   98    H4'   DT   9           H4'        T   9  -9.876   9.556   2.924
   99    H3'   DT   9           H3'        T   9  -7.147   8.902   1.798
  100    H2'   DT   9          1H2'        T   9  -7.013   6.966   3.136
  101   H2''   DT   9          2H2'        T   9  -7.992   7.576   4.392
  102    H1'   DT   9           H1'        T   9  -9.844   6.647   3.606
  103    H3    DT   9           H3         T   9  -8.189   2.489   1.735
  104    H71   DT   9           H71        T   9  -6.396   6.242  -1.295
  105    H72   DT   9           H72        T   9  -7.055   4.815  -2.173
  106    H73   DT   9           H73        T   9  -7.956   6.273  -2.085
  107    H6    DT   9           H6         T   9  -8.253   7.078   0.382
  108    H5'   DA  10          1H5'        A  10  -4.189   9.706   5.630
  109   H5''   DA  10          2H5'        A  10  -3.322   9.046   4.224
  110    H4'   DA  10           H4'        A  10  -4.926   7.684   6.478
  111    H3'   DA  10           H3'        A  10  -2.097   8.077   5.915
  112    H2'   DA  10          1H2'        A  10  -2.056   6.365   4.305
  113   H2''   DA  10          2H2'        A  10  -2.035   5.296   5.687
  114    H1'   DA  10           H1'        A  10  -4.404   5.002   5.580
  115    H8    DA  10           H8         A  10  -4.043   6.272   2.037
  116    H61   DA  10           H61        A  10  -5.814   0.823   0.271
  117    H62   DA  10           H62        A  10  -4.848   2.293  -0.113
  118    H2    DA  10           H2         A  10  -5.428   0.732   4.904
  119    H5'   DG  11          1H5'        G  11  -1.682   5.068  10.139
  120   H5''   DG  11          2H5'        G  11  -0.251   5.798  10.710
  121    H4'   DG  11           H4'        G  11   0.372   3.588   9.858
  122    H3'   DG  11           H3'        G  11   1.669   6.173   9.182
  123    H2'   DG  11          1H2'        G  11   1.016   6.041   6.903
  124   H2''   DG  11          2H2'        G  11   2.499   5.354   6.820
  125    H1'   DG  11           H1'        G  11   1.409   3.021   7.229
  126    H8    DG  11           H8         G  11   0.635   5.716   4.653
  127    H1    DG  11           H1         G  11  -1.802  -0.124   3.234
  128    H21   DG  11           H21        G  11  -1.490  -1.484   5.055
  129    H22   DG  11           H22        G  11  -1.641  -0.728   6.555
  130    H5'   DG  12          1H5'        G  12   3.326   2.605  11.134
  131   H5''   DG  12          2H5'        G  12   4.795   2.488  12.189
  132    H4'   DG  12           H4'        G  12   4.877   0.753  10.468
  133    H3'   DG  12           H3'        G  12   7.040   2.874  10.352
  134    H2'   DG  12          1H2'        G  12   6.142   3.636   8.209
  135   H2''   DG  12          2H2'        G  12   7.076   2.301   7.548
  136    H1'   DG  12           H1'        G  12   5.480   0.544   7.930
  137    H8    DG  12           H8         G  12   4.313   3.971   6.983
  138    H1    DG  12           H1         G  12   2.490  -0.682   2.833
  139    H21   DG  12           H21        G  12   3.429  -2.841   3.981
  140    H22   DG  12           H22        G  12   4.890  -2.487   4.872
  141    H5'   DG  13          1H5'        G  13   6.484  -1.561  10.524
  142   H5''   DG  13          2H5'        G  13   7.394  -2.610  11.607
  143    H4'   DG  13           H4'        G  13   7.628  -3.904   9.738
  144    H3'   DG  13           H3'        G  13  10.133  -2.622  10.189
  145    H2'   DG  13          1H2'        G  13   9.616  -1.033   8.515
  146   H2''   DG  13          2H2'        G  13  10.517  -2.157   7.508
  147    H1'   DG  13           H1'        G  13   8.388  -3.288   6.781
  148    H8    DG  13           H8         G  13   8.584   0.504   7.425
  149    H1    DG  13           H1         G  13   7.116  -1.674   1.499
  150    H21   DG  13           H21        G  13   7.426  -4.046   1.632
  151    H22   DG  13           H22        G  13   7.182  -4.699   3.139
  152    H5'   DT  14          1H5'        T  14   9.906  -5.133   6.705
  153   H5''   DT  14          2H5'        T  14  11.301  -5.992   6.054
  154    H4'   DT  14           H4'        T  14   9.967  -4.187   4.389
  155    H3'   DT  14           H3'        T  14  12.902  -4.990   4.710
  156   HO3'   DT  14          'HO3        T  14  11.348  -6.148   3.362
  157    H2'   DT  14          1H2'        T  14  13.610  -2.916   4.286
  158   H2''   DT  14          2H2'        T  14  12.990  -3.168   2.714
  159    H1'   DT  14           H1'        T  14  10.785  -2.141   3.575
  160    H3    DT  14           H3         T  14  12.174   1.956   2.818
  161    H71   DT  14           H71        T  14  14.608   0.785   6.977
  162    H72   DT  14           H72        T  14  13.708   2.337   7.299
  163    H73   DT  14           H73        T  14  13.226   0.669   7.977
  164    H6    DT  14           H6         T  14  12.699  -1.196   6.342
  165    H5'   DT  15          1H5'        T  15 -15.261  -1.780  -2.935
  166   H5''   DT  15          2H5'        T  15 -16.338  -1.499  -4.274
  167    H4'   DT  15           H4'        T  15 -15.565   0.620  -4.825
  168    H3'   DT  15           H3'        T  15 -12.901  -0.321  -4.334
  169    H2'   DT  15          1H2'        T  15 -12.787   0.415  -2.323
  170   H2''   DT  15          2H2'        T  15 -12.435   1.965  -3.046
  171    H1'   DT  15           H1'        T  15 -14.915   2.638  -3.223
  172    H3    DT  15           H3         T  15 -13.363   4.726   0.889
  173    H71   DT  15           H71        T  15 -13.806   0.840   2.775
  174    H72   DT  15           H72        T  15 -15.531   0.910   2.898
  175    H73   DT  15           H73        T  15 -14.710  -0.237   1.717
  176    H6    DT  15           H6         T  15 -15.235   0.465  -0.332
  177   HO5'   DT  15          HO5'        T  15 -14.278  -1.807  -5.596
  178    H5'   DT  16          1H5'        T  16 -11.572   1.376  -8.997
  179   H5''   DT  16          2H5'        T  16 -10.611   0.150  -8.609
  180    H4'   DT  16           H4'        T  16 -10.247   3.122  -8.052
  181    H3'   DT  16           H3'        T  16  -8.858   1.485  -9.771
  182    H2'   DT  16          1H2'        T  16  -7.404   0.326  -7.917
  183   H2''   DT  16          2H2'        T  16  -6.403   1.846  -8.161
  184    H1'   DT  16           H1'        T  16  -7.771   3.051  -6.591
  185    H3    DT  16           H3         T  16  -7.439   2.061  -2.102
  186    H71   DT  16           H71        T  16  -6.684  -2.612  -3.582
  187    H72   DT  16           H72        T  16  -5.428  -2.011  -4.717
  188    H73   DT  16           H73        T  16  -5.328  -1.702  -2.978
  189    H6    DT  16           H6         T  16  -6.770  -0.369  -6.172
  190    H5'   DA  17          1H5'        A  17  -4.701   4.715 -11.067
  191   H5''   DA  17          2H5'        A  17  -3.833   3.459 -10.128
  192    H4'   DA  17           H4'        A  17  -5.460   5.812  -9.188
  193    H3'   DA  17           H3'        A  17  -2.633   4.887  -8.768
  194    H2'   DA  17          1H2'        A  17  -2.683   5.481  -6.416
  195   H2''   DA  17          2H2'        A  17  -3.872   6.646  -6.739
  196    H1'   DA  17           H1'        A  17  -5.543   5.275  -6.103
  197    H8    DA  17           H8         A  17  -4.161   2.004  -7.212
  198    H61   DA  17           H61        A  17  -3.705   0.537  -1.156
  199    H62   DA  17           H62        A  17  -3.566  -0.247  -2.691
  200    H2    DA  17           H2         A  17  -4.023   4.864  -1.419
  201    H5'   DG  18          1H5'        G  18  -1.852   8.618  -7.487
  202   H5''   DG  18          2H5'        G  18  -0.321   9.327  -7.780
  203    H4'   DG  18           H4'        G  18  -0.650   8.841  -5.446
  204    H3'   DG  18           H3'        G  18   1.700   8.257  -7.005
  205    H2'   DG  18          1H2'        G  18   1.456   5.743  -6.480
  206   H2''   DG  18          2H2'        G  18   2.401   6.498  -5.163
  207    H1'   DG  18           H1'        G  18   0.290   6.908  -3.867
  208    H8    DG  18           H8         G  18  -0.003   3.922  -6.141
  209    H1    DG  18           H1         G  18  -0.905   2.616   0.021
  210    H21   DG  18           H21        G  18  -0.556   4.430   1.349
  211    H22   DG  18           H22        G  18  -0.957   5.971   0.723
  212    H5'   DG  19          1H5'        G  19   1.579  11.140  -3.902
  213   H5''   DG  19          2H5'        G  19   2.956  12.153  -3.397
  214    H4'   DG  19           H4'        G  19   1.785  11.235  -1.363
  215    H3'   DG  19           H3'        G  19   4.647  11.320  -1.781
  216    H2'   DG  19          1H2'        G  19   5.052   9.055  -1.645
  217   H2''   DG  19          2H2'        G  19   4.792   9.225   0.078
  218    H1'   DG  19           H1'        G  19   2.483   8.640  -0.049
  219    H8    DG  19           H8         G  19   3.282   7.213  -3.415
  220    H1    DG  19           H1         G  19   2.822   3.086   1.531
  221    H21   DG  19           H21        G  19   2.957   4.454   3.605
  222    H22   DG  19           H22        G  19   3.775   5.827   3.342
  223    H5'   DG  20          1H5'        G  20   4.173  11.094   2.982
  224   H5''   DG  20          2H5'        G  20   5.642  12.263   3.199
  225    H4'   DG  20           H4'        G  20   5.864  10.236   4.821
  226    H3'   DG  20           H3'        G  20   7.811  11.692   3.566
  227    H2'   DG  20          1H2'        G  20   8.021  10.118   1.808
  228   H2''   DG  20          2H2'        G  20   9.237   9.434   3.059
  229    H1'   DG  20           H1'        G  20   7.639   8.050   3.996
  230    H8    DG  20           H8         G  20   7.205   8.422   0.194
  231    H1    DG  20           H1         G  20   8.148   2.488   2.545
  232    H21   DG  20           H21        G  20   9.069   2.658   4.599
  233    H22   DG  20           H22        G  20   8.453   3.906   5.521
  234    H5'   DT  21          1H5'        T  21   9.295   8.653   6.754
  235   H5''   DT  21          2H5'        T  21  10.897   8.457   7.445
  236    H4'   DT  21           H4'        T  21   9.791   6.792   5.548
  237    H3'   DT  21           H3'        T  21  12.731   7.496   5.551
  238   HO3'   DT  21          'HO3        T  21  11.849   6.047   7.306
  239    H2'   DT  21          1H2'        T  21  13.193   6.104   3.666
  240   H2''   DT  21          2H2'        T  21  11.771   5.242   3.755
  241    H1'   DT  21           H1'        T  21  10.496   6.468   2.602
  242    H3    DT  21           H3         T  21  11.136  10.564  -0.033
  243    H71   DT  21           H71        T  21  15.728   9.402   1.602
  244    H72   DT  21           H72        T  21  15.371  11.051   2.005
  245    H73   DT  21           H73        T  21  15.319   9.823   3.297
  246    H6    DT  21           H6         T  21  13.838   8.024   3.051
  247    H5'   DT  22          1H5'        T  22 -12.425 -10.309   1.857
  248   H5''   DT  22          2H5'        T  22 -11.709  -8.795   2.332
  249    H4'   DT  22           H4'        T  22 -12.611  -9.552  -0.586
  250    H3'   DT  22           H3'        T  22 -10.109  -8.498   0.626
  251    H2'   DT  22          1H2'        T  22 -10.114  -6.552  -0.255
  252   H2''   DT  22          2H2'        T  22 -10.058  -7.388  -1.883
  253    H1'   DT  22           H1'        T  22 -12.254  -7.377  -2.186
  254    H3    DT  22           H3         T  22 -14.016  -3.260  -2.743
  255    H71   DT  22           H71        T  22 -13.182  -2.028   1.629
  256    H72   DT  22           H72        T  22 -13.081  -3.631   2.399
  257    H73   DT  22           H73        T  22 -11.659  -2.838   1.853
  258    H6    DT  22           H6         T  22 -11.650  -5.499   0.663
  259   HO5'   DT  22          HO5'        T  22 -13.848  -7.920   2.017
  260    H5'   DT  23          1H5'        T  23  -8.755 -11.669  -2.941
  261   H5''   DT  23          2H5'        T  23  -7.309 -12.285  -2.406
  262    H4'   DT  23           H4'        T  23  -7.197 -10.174  -3.733
  263    H3'   DT  23           H3'        T  23  -5.631 -10.264  -1.226
  264    H2'   DT  23          1H2'        T  23  -4.793  -8.190  -1.618
  265   H2''   DT  23          2H2'        T  23  -5.246  -8.183  -3.366
  266    H1'   DT  23           H1'        T  23  -7.180  -7.104  -2.662
  267    H3    DT  23           H3         T  23  -6.176  -5.038   1.501
  268    H71   DT  23           H71        T  23  -7.278  -8.996   3.540
  269    H72   DT  23           H72        T  23  -8.841  -8.267   3.318
  270    H73   DT  23           H73        T  23  -8.343  -9.807   2.526
  271    H6    DT  23           H6         T  23  -7.652  -9.374   0.172
  272    H5'   DA  24          1H5'        A  24  -1.285 -12.241  -2.879
  273   H5''   DA  24          2H5'        A  24  -0.764 -10.563  -2.243
  274    H4'   DA  24           H4'        A  24  -2.366 -11.303  -4.741
  275    H3'   DA  24           H3'        A  24   0.415 -10.365  -4.583
  276    H2'   DA  24          1H2'        A  24  -0.089  -8.274  -3.498
  277   H2''   DA  24          2H2'        A  24  -0.375  -7.840  -5.151
  278    H1'   DA  24           H1'        A  24  -2.647  -7.836  -5.057
  279    H8    DA  24           H8         A  24  -1.694  -8.192  -1.373
  280    H61   DA  24           H61        A  24  -3.093  -2.197  -1.112
  281    H62   DA  24           H62        A  24  -3.238  -3.648  -0.086
  282    H2    DA  24           H2         A  24  -3.595  -3.296  -5.200
  283    H5'   DG  25          1H5'        G  25  -0.972  -8.352  -8.232
  284   H5''   DG  25          2H5'        G  25   0.257  -8.299  -9.461
  285    H4'   DG  25           H4'        G  25  -0.305  -6.037  -8.783
  286    H3'   DG  25           H3'        G  25   2.522  -6.942  -8.235
  287    H2'   DG  25          1H2'        G  25   2.601  -5.343  -6.348
  288   H2''   DG  25          2H2'        G  25   2.117  -4.054  -7.427
  289    H1'   DG  25           H1'        G  25   0.044  -4.112  -6.922
  290    H8    DG  25           H8         G  25   1.286  -6.474  -4.065
  291    H1    DG  25           H1         G  25  -0.468  -0.482  -2.582
  292    H21   DG  25           H21        G  25  -0.665   0.722  -4.511
  293    H22   DG  25           H22        G  25  -1.349  -0.243  -5.786
  294    H5'   DG  26          1H5'        G  26   2.303  -2.182 -11.007
  295   H5''   DG  26          2H5'        G  26   3.906  -2.758 -11.425
  296    H4'   DG  26           H4'        G  26   3.457  -0.127 -10.686
  297    H3'   DG  26           H3'        G  26   5.801  -1.438 -10.574
  298    H2'   DG  26          1H2'        G  26   5.149  -2.366  -8.350
  299   H2''   DG  26          2H2'        G  26   6.423  -1.133  -8.078
  300    H1'   DG  26           H1'        G  26   4.283   0.497  -7.881
  301    H8    DG  26           H8         G  26   4.338  -3.159  -6.413
  302    H1    DG  26           H1         G  26   2.726   1.337  -2.246
  303    H21   DG  26           H21        G  26   2.873   3.477  -3.271
  304    H22   DG  26           H22        G  26   3.054   3.609  -4.932
  305    H5'   DG  27          1H5'        G  27   9.325   2.598 -10.218
  306   H5''   DG  27          2H5'        G  27   9.885   2.079  -8.645
  307    H4'   DG  27           H4'        G  27   7.848   4.071  -9.285
  308    H3'   DG  27           H3'        G  27   9.611   3.262  -6.933
  309    H2'   DG  27          1H2'        G  27   8.156   4.072  -5.413
  310   H2''   DG  27          2H2'        G  27   7.374   5.269  -6.338
  311    H1'   DG  27           H1'        G  27   5.738   3.705  -6.805
  312    H8    DG  27           H8         G  27   6.965   0.295  -6.925
  313    H1    DG  27           H1         G  27   6.076   2.213  -0.820
  314    H21   DG  27           H21        G  27   6.335   4.649  -0.952
  315    H22   DG  27           H22        G  27   5.684   5.315  -2.435
  316    H5'   DT  28          1H5'        T  28  10.389   5.928  -5.693
  317   H5''   DT  28          2H5'        T  28  11.646   7.004  -5.599
  318    H4'   DT  28           H4'        T  28  11.312   5.393  -3.721
  319    H3'   DT  28           H3'        T  28  13.872   5.775  -5.212
  320   HO3'   DT  28          'HO3        T  28  13.239   6.436  -2.508
  321    H2'   DT  28          1H2'        T  28  14.866   3.948  -4.558
  322   H2''   DT  28          2H2'        T  28  14.537   4.333  -2.830
  323    H1'   DT  28           H1'        T  28  12.440   3.149  -2.846
  324    H3    DT  28           H3         T  28  15.032  -0.676  -2.927
  325    H71   DT  28           H71        T  28  13.832  -0.274  -7.768
  326    H72   DT  28           H72        T  28  12.885  -1.575  -6.974
  327    H73   DT  28           H73        T  28  12.123  -0.019  -7.342
  328    H6    DT  28           H6         T  28  12.484   1.903  -6.115
  329    H1   QUE 101           H2       UNK   1  -7.869  -5.846  -5.868
  330    H5   QUE 101           H1       UNK   1  -9.970  -5.131  -2.205
  331    H15  QUE 101           H3       UNK   1 -11.223  -1.714  -0.408
  332    H16  QUE 101           H4       UNK   1 -11.510  -0.216   1.551
  333    H19  QUE 101           H5       UNK   1  -9.830   1.696  -2.643
  334    HO3  QUE 101           H7       UNK   1 -10.668   3.772  -1.486
  335    HO4  QUE 101           H6       UNK   1 -11.201   3.211   1.108
  336    HO7  QUE 101           H8       UNK   1 -10.354   0.515  -5.507
  337    HO9  QUE 101           H9       UNK   1  -9.604  -7.430  -4.592
  338    HO0  QUE 101           H10      UNK   1  -7.952  -3.941  -7.400
  339    H1   QUE 101           H2       UNK   1   9.837  -0.769  -4.668
  340    H5   QUE 101           H1       UNK   1   9.751   3.371  -4.201
  341    H15  QUE 101           H3       UNK   1  11.520   3.716   2.004
  342    H16  QUE 101           H4       UNK   1  13.666   4.890   1.603
  343    H19  QUE 101           H5       UNK   1   9.656   5.951  -1.047
  344    HO3  QUE 101           H7       UNK   1  10.995   7.742  -1.975
  345    HO4  QUE 101           H6       UNK   1  14.673   6.470   0.363
  346    HO7  QUE 101           H8       UNK   1  10.115   1.160   1.919
  347    HO9  QUE 101           H9       UNK   1   9.260   0.761  -6.355
  348    HO0  QUE 101           H10      UNK   1   9.718  -1.247  -1.020