Content for NMR-STAR saveframe, "spectral_peak_list_1"

    save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         30749
   _Spectral_peak_list.ID                               1
   _Spectral_peak_list.Name                             .
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Chem_shift_reference_ID          1
   _Spectral_peak_list.Chem_shift_reference_label       $chem_shift_reference_1
   _Spectral_peak_list.Experiment_ID                    2
   _Spectral_peak_list.Experiment_name                  '2D 1H-1H NOESY'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      1
   _Spectral_peak_list.Assigned_chem_shift_list_label   $assigned_chemical_shifts_1
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
# Number of dimensions 2
#INAME 1 1H
#INAME 2 1H
   2   4.630   8.127 1 U          3.531e+05  0.00e+00 e   0  114  112 0
   3   3.254   8.127 1 U          7.376e+05  0.00e+00 e   0  116  112 0
   4   3.157   8.127 1 U          3.597e+05  0.00e+00 e   0  117  112 0
   8   1.318   7.630 1 U          4.533e+04  0.00e+00 e   0  608  603 0
   9   1.450   7.630 1 U          6.426e+05  0.00e+00 e   0  607  603 0
  10   1.853   7.630 1 U          7.061e+05  0.00e+00 e   0  611  603 0
  11   4.266   7.630 1 U          4.102e+05  0.00e+00 e   0  605  603 0
  12   4.630   8.048 1 U          8.137e+04  0.00e+00 e   0  114  135 0
  13   3.254   8.048 1 U          9.004e+04  0.00e+00 e   0  116  135 0
  14   3.157   8.048 1 U          8.617e+04  0.00e+00 e   0  117  135 0
  15   3.839   8.048 1 U          4.404e+05  0.00e+00 e   0  137  135 0
  16   2.576   8.048 1 U          5.767e+05  0.00e+00 e   0  145  135 0
  17   2.135   8.048 1 U          2.452e+05  0.00e+00 e   0  141  135 0
  18   3.612   7.619 1 U          4.808e+05  0.00e+00 e   0  152  150 0
  19   2.066   7.619 1 U          8.680e+05  0.00e+00 e   0  154  150 0
  20   1.038   7.619 1 U          7.109e+05  0.00e+00 e   0  155  150 0
  21   0.913   7.619 1 U          1.093e+05  0.00e+00 e   0  156  150 0
  22   2.576   7.619 1 U          3.268e+04  0.00e+00 e   0  145  150 0
  23   2.135   7.619 1 U          1.420e+05  0.00e+00 e   0  141  150 0
  24   3.839   7.619 1 U          9.975e+04  0.00e+00 e   0  137  150 0
  25   3.612   8.003 1 U          9.318e+04  0.00e+00 e   0  152  168 0
  26   2.066   8.003 1 U          5.532e+05  0.00e+00 e   0  154  168 0
  27   1.038   8.003 1 U          4.685e+04  0.00e+00 e   0  155  168 0
  28   0.913   8.003 1 U          1.575e+05  0.00e+00 e   0  156  168 0
  29   3.419   8.003 1 U          5.794e+05  0.00e+00 e   0  172  168 0
  30   3.064   8.003 1 U          8.094e+05  0.00e+00 e   0  173  168 0
  31   4.093   8.003 1 U          2.194e+05  0.00e+00 e   0  170  168 0
  32   4.093   8.502 1 U          1.001e+05  0.00e+00 e   0  170  178 0
  33   3.419   8.502 1 U          4.386e+05  0.00e+00 e   0  172  178 0
  34   3.064   8.502 1 U          2.241e+05  0.00e+00 e   0  173  178 0
  35   3.839   8.502 1 U          1.449e+05  0.00e+00 e   0  137  178 0
  36   3.563   8.502 1 U          1.549e+05  0.00e+00 e   0  180  178 0
  37   1.564   8.502 1 U          2.840e+05  0.00e+00 e   0  182  178 0
  38   1.405   8.502 1 U          3.235e+05  0.00e+00 e   0  183  178 0
  39   1.339   8.502 1 U          1.836e+05  0.00e+00 e   0  186  178 0
  40   1.223   8.502 1 U          4.460e+04  0.00e+00 e   0  187  178 0
  41   3.997   8.232 1 U          1.696e+05  0.00e+00 e   0   99   97 0
  42   2.397   8.232 1 U          3.199e+05  0.00e+00 e   0  105   97 0
  43   2.276   8.232 1 U          2.732e+05  0.00e+00 e   0  106   97 0
  45   2.063   8.232 1 U          6.651e+05  0.00e+00 e   0  103   97 0
  46   2.397   8.127 1 U          3.541e+04  0.00e+00 e   0  105  112 0
  47   2.063   8.127 1 U          5.464e+05  0.00e+00 e   0  103  112 0
  48   4.155   7.831 1 U          5.454e+05  0.00e+00 e   0   89   87 0
  49   1.485   7.831 1 U          1.193e+06  0.00e+00 e   0   90   87 0
  50   1.485   8.232 1 U          1.044e+06  0.00e+00 e   0   90   97 0
  51   4.155   8.232 1 U          7.505e+04  0.00e+00 e   0   89   97 0
  52   4.269   8.179 1 U          1.501e+05  0.00e+00 e   0  300  298 0
  53   1.433   8.179 1 U          8.584e+05  0.00e+00 e   0  301  298 0
  54   1.832   8.454 1 U          4.437e+05  0.00e+00 e   0   65   61 0
  55   1.627   8.454 1 U          8.654e+04  0.00e+00 e   0   71   61 0
  57   1.004   8.179 1 U          1.246e+05  0.00e+00 e   0  285  298 0
  58   0.927   8.179 1 U          9.410e+04  0.00e+00 e   0  286  298 0
  59   4.059   8.179 1 U          2.419e+05  0.00e+00 e   0  282  298 0
  60   1.004   7.583 1 U          6.549e+05  0.00e+00 e   0  285  280 0
  61   0.927   7.583 1 U          1.687e+05  0.00e+00 e   0  286  280 0
  62   2.111   7.583 1 U          4.774e+05  0.00e+00 e   0  284  280 0
  63   2.111   8.179 1 U          8.483e+04  0.00e+00 e   0  284  298 0
  64   4.059   7.583 1 U          3.911e+05  0.00e+00 e   0  282  280 0
  65   4.617   7.500 1 U          4.571e+05  0.00e+00 e   0  310  308 0
  66   2.455   7.500 1 U          3.075e+05  0.00e+00 e   0  316  308 0
  67   2.297   7.500 1 U          8.431e+04  0.00e+00 e   0  317  308 0
  68   2.070   7.500 1 U          4.286e+05  0.00e+00 e   0  312  308 0
  69   1.877   7.500 1 U          1.552e+05  0.00e+00 e   0  313  308 0
  70   1.433   7.500 1 U          2.138e+05  0.00e+00 e   0  301  308 0
  71   4.269   7.500 1 U          2.885e+05  0.00e+00 e   0  300  308 0
  72   4.379   8.463 1 U          1.660e+05  0.00e+00 e   0  325  323 0
  73   1.570   8.463 1 U          4.229e+04  0.00e+00 e   0  329  323 0
  74   1.712   8.463 1 U          2.318e+05  0.00e+00 e   0  332  323 0
  75   4.617   8.463 1 U          1.593e+06  0.00e+00 e   0  310  323 0
  76   8.126   8.232 1 U          1.015e+05  0.00e+00 e   0  112   97 0
  77   8.231   8.127 1 U          0.000e+00  0.00e+00 -   0   97  112 0
  78   8.047   8.127 1 U          3.769e+04  0.00e+00 e   0  135  112 0
  79   8.126   8.048 1 U          0.000e+00  0.00e+00 -   0  112  135 0
  80   7.618   8.048 1 U          3.084e+05  0.00e+00 e   0  150  135 0
  81   8.047   7.619 1 U          0.000e+00  0.00e+00 -   0  135  150 0
  82   7.499   8.179 1 U          5.074e+05  0.00e+00 e   0  308  298 0
  83   7.499   8.463 1 U          1.021e+05  0.00e+00 e   0  308  323 0
  84   8.178   7.500 1 U          0.000e+00  0.00e+00 -   0  298  308 0
  85   8.462   7.500 1 U          0.000e+00  0.00e+00 -   0  323  308 0
  86   8.178   7.583 1 U          0.000e+00  0.00e+00 -   0  298  280 0
  87   7.582   8.179 1 U          6.407e+05  0.00e+00 e   0  280  298 0
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  89   7.582   7.653 1 U          1.911e+05  0.00e+00 e   0  280  262 0
  90   3.997   7.653 1 U          3.520e+05  0.00e+00 e   0  264  262 0
  91   3.997   7.583 1 U          2.083e+05  0.00e+00 e   0  264  280 0
  92   2.486   7.653 1 U          3.500e+05  0.00e+00 e   0  268  262 0
  93   2.259   7.653 1 U          6.337e+04  0.00e+00 e   0  270  262 0
  94   2.204   7.653 1 U          3.705e+05  0.00e+00 e   0  271  262 0
  95   2.204   7.583 1 U          6.991e+04  0.00e+00 e   0  271  280 0
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 101   3.312   7.653 1 U          2.802e+05  0.00e+00 e   0  256  262 0
 102   4.445   7.653 1 U          8.035e+04  0.00e+00 e   0  254  262 0
 103   7.652   7.921 1 U          4.641e+05  0.00e+00 e   0  262  252 0
 104   7.920   7.653 1 U          0.000e+00  0.00e+00 -   0  252  262 0
 105   3.563   7.921 1 U          1.492e+05  0.00e+00 e   0  180  252 0
 106   4.038   8.041 1 U          9.365e+05  0.00e+00 e   0  228  226 0
 107   1.935   8.041 1 U          3.765e+05  0.00e+00 e   0  232  226 0
 108   1.760   8.041 1 U          1.289e+05  0.00e+00 e   0  234  226 0
 109   1.873   8.009 1 U          1.060e+06  0.00e+00 e   0  670  666 0
 110   1.732   8.009 1 U          2.595e+05  0.00e+00 e   0  671  666 0
 111   4.038   7.921 1 U          9.503e+04  0.00e+00 e   0  228  252 0
 112   1.760   7.921 1 U          2.461e+04  0.00e+00 e   0  234  252 0
 113   7.920   8.041 1 U          3.027e+05  0.00e+00 e   0  252  226 0
 114   8.040   7.921 1 U          0.000e+00  0.00e+00 -   0  226  252 0
 115   4.118   7.980 1 U          3.077e+05  0.00e+00 e   0  793  791 0
 116   4.118   8.150 1 U          4.601e+05  0.00e+00 e   0  793  809 0
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 119   2.755   8.150 1 U          1.099e+05  0.00e+00 e   0  814  809 0
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 126   2.841   8.477 1 U          2.354e+05  0.00e+00 e   0  784  780 0
 127   2.717   8.477 1 U          3.870e+05  0.00e+00 e   0  785  780 0
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 131   1.911   8.197 1 U          5.480e+05  0.00e+00 e   0  771  765 0
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 133   2.366   8.477 1 U          2.998e+04  0.00e+00 e   0  775  780 0
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 136   8.149   7.980 1 U          0.000e+00  0.00e+00 -   0  809  791 0
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 138   7.979   8.477 1 U          1.578e+05  0.00e+00 e   0  791  780 0
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 141   3.904   8.197 1 U          6.874e+05  0.00e+00 e   0  762  765 0
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 143   8.427   8.197 1 U          0.000e+00  0.00e+00 -   0  758  765 0
 144   8.427   8.130 1 U          0.000e+00  0.00e+00 -   0  758  732 0
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 146   8.129   8.428 1 U          9.987e+04  0.00e+00 e   0  732  758 0
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 687   3.732   3.444 1 U          3.076e+05  0.00e+00 e   0  409  480 0
 688   3.732   3.010 1 U          1.978e+05  0.00e+00 e   0  409  481 0
 689   3.670   3.272 1 U          1.854e+05  0.00e+00 e   0  488  541 0
 690   3.670   3.169 1 U          1.739e+05  0.00e+00 e   0  488  542 0
 691   4.042   3.255 1 U          4.804e+05  0.00e+00 e   0   63  116 0
 692   4.042   3.158 1 U          8.862e+05  0.00e+00 e   0   63  117 0
 693   3.612   0.860 1 U          1.293e+05  0.00e+00 e   0  152  213 0
 694   3.612   0.831 1 U          2.167e+04  0.00e+00 e   0  152  214 0
 695   4.042   6.987 1 U          5.060e+05  0.00e+00 e   0   63  119 0
 696   4.042   6.613 1 U          7.705e+05  0.00e+00 e   0   63  120 0
 697   4.035   0.681 1 U          4.562e+05  0.00e+00 e   0  549  612 0
 698   4.035   0.305 1 U          2.077e+05  0.00e+00 e   0  549  613 0
 699   4.445   1.434 1 U          2.341e+05  0.00e+00 e   0  254  301 0
 700   2.093   1.437 1 U          2.279e+04  0.00e+00 e   0  395  460 0
 701   2.449   1.437 1 U          1.516e+05  0.00e+00 e   0  398  460 0
 703   3.928   1.486 1 U          3.714e+05  0.00e+00 e   0   40   90 0
 704   3.150   7.246 1 U          3.777e+05  0.00e+00 e   0  439  441 0
 705   1.908   7.246 1 U          7.520e+04  0.00e+00 e   0  429  441 0
 706   1.787   7.246 1 U          7.066e+04  0.00e+00 e   0  430  441 0
 707   1.608   7.246 1 U          8.031e+04  0.00e+00 e   0  435  441 0
 708   1.935   7.921 1 U          8.410e+05  0.00e+00 e   0  232  252 0
 709   1.632   8.041 1 U          4.257e+05  0.00e+00 e   0  235  226 0
 710   3.116   7.160 1 U          4.588e+05  0.00e+00 e   0  240  242 0
 711   3.116   8.041 1 U          5.582e+04  0.00e+00 e   0  240  226 0
 712   1.935   7.160 1 U          8.277e+04  0.00e+00 e   0  232  242 0
 713   1.760   7.160 1 U          1.100e+05  0.00e+00 e   0  234  242 0
 714   1.632   7.160 1 U          1.783e+05  0.00e+00 e   0  235  242 0
 715   4.038   1.633 1 U          1.769e+05  0.00e+00 e   0  228  235 0
 716   3.116   1.633 1 U          2.037e+05  0.00e+00 e   0  240  235 0
 717   3.116   1.761 1 U          3.360e+05  0.00e+00 e   0  240  234 0
 718   3.116   1.936 1 U          1.973e+05  0.00e+00 e   0  240  232 0
 719   1.935   1.633 1 U          1.952e+05  0.00e+00 e   0  232  235 0
 720   1.760   1.633 1 U          9.358e+05  0.00e+00 e   0  234  235 0
 721   4.038   3.117 1 U          1.187e+05  0.00e+00 e   0  228  240 0
 722   0.913   7.160 1 U          9.886e+04  0.00e+00 e   0  156  242 0
 723   3.959   8.238 1 U          4.288e+05  0.00e+00 e   0   32   35 0
 724   1.570   7.172 1 U          6.199e+03  0.00e+00 e   0  329  339 0
 725   1.712   7.172 1 U          5.025e+03  0.00e+00 e   0  332  339 0
 726   1.832   7.172 1 U          2.084e+04  0.00e+00 e   0  331  339 0
 727   3.154   7.172 1 U          1.230e+04  0.00e+00 e   0  337  339 0
 728   4.379   7.172 1 U          0.000e+00  0.00e+00 -   0  325  339 0
 729   4.038   7.166 1 U          1.151e+04  0.00e+00 e   0  228  242 0
 730   1.832   8.463 1 U          1.941e+05  0.00e+00 e   0  331  323 0
 731   4.379   1.833 1 U          2.063e+05  0.00e+00 e   0  325  331 0
 732   3.154   1.833 1 U          4.955e+04  0.00e+00 e   0  337  331 0
 733   3.154   1.713 1 U          8.227e+04  0.00e+00 e   0  337  332 0
 734   3.154   1.571 1 U          2.976e+05  0.00e+00 e   0  337  329 0
 735   1.832   1.571 1 U          1.040e+05  0.00e+00 e   0  331  329 0
 736   1.832   1.713 1 U          3.061e+05  0.00e+00 e   0  331  332 0
 737   1.710   8.454 1 U          1.364e+05  0.00e+00 e   0   66   61 0
 738   1.832   7.348 1 U          9.995e+04  0.00e+00 e   0   65   77 0
 739   1.710   7.348 1 U          5.300e+04  0.00e+00 e   0   66   77 0
 740   1.627   7.348 1 U          5.484e+04  0.00e+00 e   0   71   77 0
 741   3.164   7.348 1 U          3.661e+05  0.00e+00 e   0   75   77 0
 742   3.164   8.454 1 U          2.913e+04  0.00e+00 e   0   75   61 0
 743   4.042   7.348 1 U          0.000e+00  0.00e+00 -   0   63   77 0
 744   3.164   1.833 1 U          1.548e+05  0.00e+00 e   0   75   65 0
 745   3.164   1.711 1 U          9.100e+04  0.00e+00 e   0   75   66 0
 746   3.164   1.628 1 U          3.661e+05  0.00e+00 e   0   75   71 0
 747   4.042   1.711 1 U          3.495e+04  0.00e+00 e   0   63   66 0
 748   1.832   1.711 1 U          2.065e+05  0.00e+00 e   0   65   66 0
 749   1.710   1.628 1 U          2.847e+05  0.00e+00 e   0   66   71 0
 750   4.266   8.234 1 U          2.076e+05  0.00e+00 e   0  605  625 0
 751   8.359   8.234 1 U          0.000e+00  0.00e+00 -   0  651  625 0
 752   8.233   8.360 1 U          1.428e+05  0.00e+00 e   0  625  651 0
 753   4.031   8.009 1 U          1.827e+05  0.00e+00 e   0  653  666 0
 754   3.164   1.568 1 U          2.685e+05  0.00e+00 e   0  680  676 0
 755   3.164   1.733 1 U          1.159e+05  0.00e+00 e   0  680  671 0
 756   3.164   1.874 1 U          3.785e+05  0.00e+00 e   0  680  670 0
 757   3.164   7.282 1 U          4.825e+05  0.00e+00 e   0  680  682 0
 758   1.873   7.282 1 U          8.973e+04  0.00e+00 e   0  670  682 0
 759   1.732   7.282 1 U          7.213e+04  0.00e+00 e   0  671  682 0
 760   1.567   7.282 1 U          4.398e+04  0.00e+00 e   0  676  682 0
 761   3.966   7.282 1 U          0.000e+00  0.00e+00 -   0  668  682 0
 762   4.007   7.246 1 U          6.243e+03  0.00e+00 e   0  427  441 0
 763   0.941   7.243 1 U          8.494e+04  0.00e+00 e   0  362  441 0
 765   2.276   8.127 1 U          1.480e+04  0.00e+00 e   0  106  112 0
 766   4.045   7.302 1 U          7.501e+03  0.00e+00 e   0  627  641 0
 767   3.171   7.302 1 U          1.208e+05  0.00e+00 e   0  639  641 0
 768   1.956   7.302 1 U          1.589e+04  0.00e+00 e   0  631  641 0
 769   1.801   7.302 1 U          1.368e+04  0.00e+00 e   0  633  641 0
 770   1.729   7.302 1 U          6.320e+04  0.00e+00 e   0  634  641 0
 771   1.956   8.234 1 U          3.349e+05  0.00e+00 e   0  631  625 0
 772   3.171   8.234 1 U          1.158e+05  0.00e+00 e   0  639  625 0
 773   4.045   1.957 1 U          2.005e+05  0.00e+00 e   0  627  631 0
 774   3.171   1.957 1 U          3.647e+04  0.00e+00 e   0  639  631 0
 775   3.171   1.802 1 U          1.686e+05  0.00e+00 e   0  639  633 0
 776   3.171   1.730 1 U          1.202e+05  0.00e+00 e   0  639  634 0
 777   1.956   1.802 1 U          4.405e+05  0.00e+00 e   0  631  633 0
 778   1.956   1.730 1 U          1.583e+04  0.00e+00 e   0  631  634 0
 779   1.818   7.236 1 U          4.166e+03  0.00e+00 e   0    6   18 0
 780   1.746   7.236 1 U          4.192e+03  0.00e+00 e   0    7   18 0
 781   1.615   7.236 1 U          5.259e+04  0.00e+00 e   0   12   18 0
 782   3.163   7.236 1 U          3.622e+04  0.00e+00 e   0   16   18 0
 783   4.267   7.236 1 U          0.000e+00  0.00e+00 -   0    4   18 0
 784   1.612   7.193 1 U          1.301e+04  0.00e+00 e   0  742  748 0
 785   1.732   7.193 1 U          0.000e+00  0.00e+00 -   0  737  748 0
 786   1.887   7.193 1 U          1.147e+04  0.00e+00 e   0  736  748 0
 787   3.178   7.193 1 U          3.136e+05  0.00e+00 e   0  746  748 0
 788   4.376   7.193 1 U          0.000e+00  0.00e+00 -   0  734  748 0
 789   3.178   8.130 1 U          1.613e+05  0.00e+00 e   0  746  732 0
 790   1.729   8.042 1 U          4.431e+05  0.00e+00 e   0  586  577 0
 791   4.221   1.730 1 U          9.913e+04  0.00e+00 e   0  579  586 0
 792   3.254   1.730 1 U          9.571e+04  0.00e+00 e   0  589  586 0
 793   3.150   1.730 1 U          1.759e+05  0.00e+00 e   0  590  586 0
 794   3.254   1.826 1 U          1.243e+05  0.00e+00 e   0  589  585 0
 795   3.150   1.826 1 U          9.765e+04  0.00e+00 e   0  590  585 0
 796   3.150   1.919 1 U          1.979e+05  0.00e+00 e   0  590  582 0
 797   3.254   1.919 1 U          4.791e+04  0.00e+00 e   0  589  582 0
 798   3.254   2.009 1 U          1.460e+04  0.00e+00 e   0  589  581 0
 799   3.150   2.009 1 U          4.219e+03  0.00e+00 e   0  590  581 0
 800   2.008   1.730 1 U          1.260e+05  0.00e+00 e   0  581  586 0
 801   1.918   1.730 1 U          1.206e+05  0.00e+00 e   0  582  586 0
 802   1.825   1.730 1 U          1.088e+06  0.00e+00 e   0  585  586 0
 803   3.254   7.523 1 U          2.953e+05  0.00e+00 e   0  589  593 0
 804   3.150   7.523 1 U          2.114e+05  0.00e+00 e   0  590  593 0
 805   2.008   7.523 1 U          8.296e+03  0.00e+00 e   0  581  593 0
 806   1.918   7.523 1 U          1.141e+05  0.00e+00 e   0  582  593 0
 807   1.825   7.523 1 U          4.401e+04  0.00e+00 e   0  585  593 0
 808   1.729   7.523 1 U          1.782e+05  0.00e+00 e   0  586  593 0
 809   3.254   8.042 1 U          6.030e+04  0.00e+00 e   0  589  577 0
 810   3.150   8.042 1 U          4.963e+04  0.00e+00 e   0  590  577 0
 811   4.035   8.199 1 U          8.225e+03  0.00e+00 e   0  549  562 0
 812   4.266   8.009 1 U          1.349e+05  0.00e+00 e   0  605  666 0
 813   3.959   7.917 1 U          2.294e+05  0.00e+00 e   0  391  451 0
 814   3.839   1.565 1 U          7.208e+04  0.00e+00 e   0  137  182 0
 815   3.839   1.406 1 U          3.190e+04  0.00e+00 e   0  137  183 0
 816   3.839   1.340 1 U          3.494e+04  0.00e+00 e   0  137  186 0
 817   3.839   1.224 1 U          1.860e+04  0.00e+00 e   0  137  187 0
 818   3.612   1.730 1 U          1.257e+05  0.00e+00 e   0  152  208 0
 819   3.612   1.640 1 U          1.169e+05  0.00e+00 e   0  152  209 0
 820   3.995   7.439 1 U          2.369e+05  0.00e+00 e   0    0    0 0
 821   3.989   7.619 1 U          1.154e+05  0.00e+00 e   0    0    0 0
 822   4.038   7.631 1 U          2.099e+05  0.00e+00 e   0    0    0 0
 823   4.348   7.900 1 U          2.018e+05  0.00e+00 e   0    0    0 0
 824   4.227   7.918 1 U          3.320e+05  0.00e+00 e   0    0    0 0
 825   3.608   8.042 1 U          5.032e+04  0.00e+00 e   0    0    0 0
 826   4.048   8.126 1 U          1.672e+05  0.00e+00 e   0    0    0 0
 827   3.695   8.340 1 U          7.647e+04  0.00e+00 e   0    0    0 0
 828   3.749   8.357 1 U          1.554e+05  0.00e+00 e   0    0    0 0
 829   4.245   8.454 1 U          1.533e+05  0.00e+00 e   0   47   61 0
 830   4.138   8.454 1 U          9.927e+04  0.00e+00 e   0   39   61 0
 831   3.928   8.454 1 U          2.731e+05  0.00e+00 e   0   40   61 0
 832   0.941   8.342 1 U          4.659e+04  0.00e+00 e   0  362  425 0
 833   1.034   8.342 1 U          1.346e+04  0.00e+00 e   0  361  425 0
 834   2.067   8.478 1 U          8.725e+04  0.00e+00 e   0    0    0 0
 835   1.932   8.454 1 U          2.236e+05  0.00e+00 e   0   54   61 0
 836   2.190   8.454 1 U          7.968e+04  0.00e+00 e   0   49   61 0
 837   1.894   8.403 1 U          3.224e+05  0.00e+00 e   0    0    0 0
 838   2.344   8.357 1 U          1.988e+05  0.00e+00 e   0    0    0 0
 839   1.708   8.340 1 U          1.066e+05  0.00e+00 e   0    0    0 0
 840   1.873   7.968 1 U          4.919e+05  0.00e+00 e   0  670  692 0
 841   1.431   7.583 1 U          9.241e+04  0.00e+00 e   0    0    0 0
 842   7.911   8.202 1 U          3.279e+05  0.00e+00 e   0    0    0 0
 843   8.034   8.201 1 U          2.848e+05  0.00e+00 e   0    0    0 0
 844   4.389   6.987 1 U          7.646e+04  0.00e+00 e   0    0    0 0
 845   4.004   6.761 1 U          1.770e+05  0.00e+00 e   0    0    0 0
 846   2.542   6.796 1 U          1.983e+04  0.00e+00 e   0    0    0 0
 847   0.936   7.292 1 U          1.021e+05  0.00e+00 e   0    0    0 0
 848   1.928   0.683 1 U          2.886e+05  0.00e+00 e   0    0    0 0
 849   2.193   0.685 1 U          2.907e+05  0.00e+00 e   0    0    0 0
 850   2.348   0.682 1 U          1.219e+05  0.00e+00 e   0    0    0 0
 851   2.517   0.683 1 U          2.276e+05  0.00e+00 e   0    0    0 0
 852   4.228   1.079 1 U          2.050e+05  0.00e+00 e   0    0    0 0
 853   3.992   1.041 1 U          2.600e+05  0.00e+00 e   0    0    0 0
 854   3.929   1.038 1 U          5.199e+04  0.00e+00 e   0    0    0 0
 855   3.154   0.939 1 U          2.135e+05  0.00e+00 e   0    0    0 0
 856   3.112   0.912 1 U          1.571e+05  0.00e+00 e   0    0    0 0
 858   2.128   8.454 1 U          1.703e+04  0.00e+00 e   0   53   61 0
 859   1.836   8.454 1 U          7.258e+04  0.00e+00 e   0   50   61 0
 860   4.245   2.191 1 U          5.794e+05  0.00e+00 e   0   47   49 0
 861   4.245   2.129 1 U          3.545e+05  0.00e+00 e   0   47   53 0
 862   4.245   1.933 1 U          1.781e+05  0.00e+00 e   0   47   54 0
 863   4.245   1.837 1 U          0.000e+00  0.00e+00 -   0   47   50 0
 864   2.190   2.129 1 U          8.427e+05  0.00e+00 e   0   49   53 0
 865   2.190   1.933 1 U          9.015e+05  0.00e+00 e   0   49   54 0
 866   2.190   1.837 1 U          8.192e+04  0.00e+00 e   0   49   50 0
 867   2.128   1.837 1 U          1.216e+05  0.00e+00 e   0   53   50 0
 868   2.128   1.933 1 U          8.980e+05  0.00e+00 e   0   53   54 0
 869   1.932   1.837 1 U          2.334e+05  0.00e+00 e   0   54   50 0
 875   3.009   8.584 1 U          2.294e+05  0.00e+00 e   0  481  486 0
 879   3.612   2.067 1 U          3.879e+05  0.00e+00 e   0  152  154 0
 880   0.859   7.812 1 U          5.054e+04  0.00e+00 e   0  213  204 0
 881   4.059   2.112 1 U          6.289e+05  0.00e+00 e   0  282  284 0
 882   2.455   2.071 1 U          1.657e+05  0.00e+00 e   0  316  312 0
 883   2.455   1.878 1 U          3.312e+05  0.00e+00 e   0  316  313 0
 884   2.297   2.071 1 U          2.478e+05  0.00e+00 e   0  317  312 0
 885   2.297   1.878 1 U          1.774e+05  0.00e+00 e   0  317  313 0
 886   4.379   3.155 1 U          5.624e+04  0.00e+00 e   0  325  337 0
 887   3.749   2.360 1 U          7.676e+04  0.00e+00 e   0  521  523 0
 888   4.221   3.255 1 U          1.217e+05  0.00e+00 e   0  579  589 0
 889   4.221   3.151 1 U          4.717e+04  0.00e+00 e   0  579  590 0
 890   3.254   3.151 1 U          6.880e+05  0.00e+00 e   0  589  590 0
 891   3.966   3.165 1 U          6.293e+04  0.00e+00 e   0  668  680 0
 892   2.779   1.340 1 U          1.705e+05  0.00e+00 e   0  191  186 0
 894   1.450   0.305 1 U          4.266e+05  0.00e+00 e   0  607  613 0
 895   2.511   8.519 1 U          4.463e+04  0.00e+00 e   0  830    2 0
 896   2.021   8.519 1 U          4.731e+04  0.00e+00 e   0  826    2 0
 897   4.348   2.511 1 U          2.053e+05  0.00e+00 e   0  822  830 0
 898   4.348   2.021 1 U          0.000e+00  0.00e+00 -   0  822  826 0
 899   2.511   2.021 1 U          1.647e+06  0.00e+00 e   0  830  826 0
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   H   1   H   .   .   9.997   ppm   .   .   .   4.769   .   .   30749   1
      2   .   .   H   1   H   .   .   9.997   ppm   .   .   .   4.769   .   .   30749   1
   stop_
save_