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                         31018
   _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                    1
   _Spectral_peak_list.Experiment_name                  '3D 1H-15N NOESY'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _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 3
#INAME 1 1H
#INAME 2 1Hy
#INAME 3 15N
   2  10.109  10.109 129.337 1 U          4.596e+05  0.00e+00 m   0  884  884  879 0
   3   9.447   9.447 129.104 1 U          1.542e+05  0.00e+00 m   0  371  371  370 0
   4   8.750   8.750 128.447 1 U          2.912e+05  0.00e+00 m   0  693  693  692 0
   5   8.562   8.562 126.266 1 U          3.532e+05  0.00e+00 m   0  193  193  192 0
   6   8.272   8.272 125.967 1 U          1.122e+05  0.00e+00 m   0  817  817  816 0
   7   8.835   8.835 125.879 1 U          4.268e+05  0.00e+00 m   0  624  624  623 0
   8   8.874   8.874 125.409 1 U          4.088e+05  0.00e+00 m   0  157  157  156 0
   9   7.996   7.996 125.389 1 U          9.884e+03  0.00e+00 m   0 1013 1013 1012 0
  10   8.746   8.746 124.933 1 U          2.041e+05  0.00e+00 m   0  267  267  266 0
  11   9.027   9.027 124.619 1 U          2.578e+05  0.00e+00 m   0  497  497  496 0
  12   9.086   9.086 124.164 1 U          4.974e+05  0.00e+00 m   0  353  353  352 0
  13   9.042   9.042 123.613 1 U          2.494e+05  0.00e+00 m   0  305  305  304 0
  14   9.129   9.129 123.531 1 U          2.574e+05  0.00e+00 m   0  479  479  478 0
  15   8.498   8.498 123.519 1 U          8.474e+05  0.00e+00 m   0  585  585  584 0
  16   8.071   8.071 123.367 1 U          6.275e+05  0.00e+00 m   0  105  105  104 0
  17   8.929   8.929 123.358 1 U          4.165e+05  0.00e+00 m   0  659  659  658 0
  18   7.903   7.903 123.085 1 U          1.482e+05  0.00e+00 m   0  180  180  179 0
  19   8.052   8.052 122.691 1 U          1.243e+05  0.00e+00 m   0  891  891  890 0
  20   8.489   8.489 122.553 1 U          2.654e+04  0.00e+00 m   0  443  443  442 0
  21   8.391   8.391 122.532 1 U          3.517e+05  0.00e+00 m   0  242  242  241 0
  22   8.036   8.036 122.287 1 U          9.461e+04  0.00e+00 m   0  867  867  866 0
  23   8.171   8.171 121.912 1 U          6.890e+04  0.00e+00 m   0  842  842  841 0
  25   8.164   8.164 121.334 1 U          9.860e+04  0.00e+00 m   0  799  799  798 0
  27   9.487   9.487 120.931 1 U          3.872e+05  0.00e+00 m   0  510  510  509 0
  28   7.830   7.830 120.850 1 U          1.918e+05  0.00e+00 m   0   61   61   60 0
  30   8.166   8.166 120.675 1 U          9.410e+05  0.00e+00 m   0  567  567  566 0
  31   8.464   8.464 120.580 1 U          5.534e+04  0.00e+00 m   0  403  403  402 0
  32   8.093   8.093 120.561 1 U          9.345e+04  0.00e+00 m   0  913  913  912 0
  34   8.405   8.405 119.854 1 U          3.666e+05  0.00e+00 m   0  328  328  327 0
  35   8.250   8.250 119.751 1 U          7.106e+05  0.00e+00 m   0  115  115  114 0
  36   8.120   8.120 119.554 1 U          3.265e+05  0.00e+00 m   0  214  214  213 0
  37   7.593   7.593 119.503 1 U          8.304e+04  0.00e+00 m   0   38   38   37 0
  39   7.975   7.975 119.078 1 U          7.970e+05  0.00e+00 m   0  454  454  453 0
  40   8.369   8.369 119.125 1 U          2.818e+05  0.00e+00 m   0  426  426  425 0
  41   9.260   9.260 118.854 1 U          3.203e+05  0.00e+00 m   0  528  528  527 0
  42   7.838   7.838 118.436 1 U          4.865e+05  0.00e+00 m   0  729  729  728 0
  43   7.523   7.523 118.229 1 U          1.992e+05  0.00e+00 m   0  751  751  750 0
  44   8.261   8.261 118.114 1 U          4.552e+05  0.00e+00 m   0  232  232  231 0
  45   8.110   8.110 117.988 1 U          2.111e+05  0.00e+00 m   0  773  773  772 0
  46   9.015   9.015 116.997 1 U          1.216e+05  0.00e+00 m   0  126  126  125 0
  47   9.129   9.129 116.785 1 U          6.829e+03  0.00e+00 m   0  204  204  203 0
  48   8.019   8.019 116.434 1 U          5.897e+05  0.00e+00 m   0  292  292  291 0
  49   8.841   8.841 116.152 1 U          1.402e+05  0.00e+00 m   0  144  144  143 0
  50   8.245   8.245 115.951 1 U          2.636e+05  0.00e+00 m   0  611  611  610 0
  51   7.914   7.914 115.796 3 U          4.473e+04  0.00e+00 m   0  928  928  927 0
  52   8.033   8.033 115.575 1 U          4.324e+05  0.00e+00 m   0  646  646  645 0
  53   8.791   8.791 114.988 1 U          1.155e+04  0.00e+00 m   0  557  557  556 0
  54   8.345   8.345 114.439 3 U          5.354e+04  0.00e+00 m   0  979  979  978 0
  55   8.671   8.671 114.359 1 U          4.981e+05  0.00e+00 m   0  703  703  702 0
  56   9.035   9.035 113.548 1 U          6.335e+04  0.00e+00 m   0   98   98   97 0
  57   7.331   7.331 111.485 1 U          5.316e+05  0.00e+00 m   0  541  541  540 0
  58   6.790   6.790 111.485 1 U          3.316e+05  0.00e+00 m   0  542  542  540 0
  59   7.962   7.962 110.664 1 U          2.720e+05  0.00e+00 m   0  393  393  392 0
  60   8.209   8.209 108.827 1 U          4.530e+05  0.00e+00 m   0  225  225  224 0
  61   8.166   8.166 108.253 1 U          7.929e+05  0.00e+00 m   0  578  578  577 0
  62   8.244   8.244 108.112 1 U          1.688e+04  0.00e+00 m   0   31   31   30 0
  63   8.868   8.868 125.774 1 U          8.535e+05  0.00e+00 m   0  546  546  545 0
  64   8.429   8.429 121.209 1 U          2.400e+05  0.00e+00 m   0  682  682  681 0
  65   8.452   8.452 121.302 1 U          5.861e+05  0.00e+00 m   0   72   72   71 0
  66   8.440   8.440 116.100 1 U          1.430e+02  0.00e+00 m   0  436  436  435 0
  71   9.487   2.115 120.931 3 U          3.948e+03  0.00e+00 m   0  510  514  509 0
  72   9.487   0.731 120.931 3 U          1.404e+04  0.00e+00 m   0  510  515  509 0
  73   9.487   0.446 120.931 3 U          2.629e+04  0.00e+00 m   0  510  516  509 0
  76   7.593   3.798 119.503 3 U          4.152e+03  0.00e+00 m   0   38   34   37 0
  77   7.593   3.653 119.503 3 U          3.505e+03  0.00e+00 m   0   38   33   37 0
  78   7.830   4.701 120.850 3 U          1.402e+04  0.00e+00 m   0   61   63   60 0
  79   7.830   4.520 120.850 3 U          1.059e+04  0.00e+00 m   0   61   40   60 0
  80   8.452   3.884 121.302 3 U          8.078e+03  0.00e+00 m   0   72   74   71 0
  81   8.452   4.693 121.302 3 U          4.480e+04  0.00e+00 m   0   72   63   71 0
  82   9.035   8.071 113.548 3 U          4.777e+03  0.00e+00 m   0   98  105   97 0
  83   8.071   9.035 123.367 3 U          8.055e+03  0.00e+00 m   0  105   98  104 0
  86   8.071   3.740 123.367 3 U          7.657e+03  0.00e+00 m   0  105  100  104 0
  87   8.071   3.877 123.367 3 U          4.260e+03  0.00e+00 m   0  105   74  104 0
  88   9.035   3.754 113.548 3 U          6.813e+03  0.00e+00 m   0   98  100   97 0
  89   9.035   3.891 113.548 3 U          1.269e+04  0.00e+00 m   0   98   74   97 0
  90   9.035   4.341 113.548 3 U          3.325e+03  0.00e+00 m   0   98  101   97 0
  92   8.250   5.437 119.751 3 U          1.043e+04  0.00e+00 m   0  115  117  114 0
  93   8.250   4.390 119.751 3 U          5.020e+04  0.00e+00 m   0  115  107  114 0
  95   9.015   5.423 116.997 3 U          1.502e+04  0.00e+00 m   0  126  117  125 0
  96   9.015   4.953 116.997 3 U          2.912e+03  0.00e+00 m   0  126  128  125 0
  99   8.841   4.953 116.152 3 U          1.579e+04  0.00e+00 m   0  144  128  143 0
 101   8.841   3.964 116.152 3 U          6.990e+03  0.00e+00 m   0  144  148  143 0
 102   8.244   3.795 108.112 3 U          2.079e+03  0.00e+00 m   0   31   34   30 0
 103   8.244   3.651 108.112 3 U          1.863e+03  0.00e+00 m   0   31   33   30 0
 104   7.593   2.603 119.503 3 U          6.267e+03  0.00e+00 m   0   38   43   37 0
 106   7.830   2.502 120.850 3 U          7.476e+03  0.00e+00 m   0   61   66   60 0
 107   7.830   1.505 120.850 3 U          3.840e+03  0.00e+00 m   0   61  108   60 0
 108   8.452   1.852 121.302 3 U          2.580e+04  0.00e+00 m   0   72   78   71 0
 109   9.035   2.358 113.548 3 U          2.377e+03  0.00e+00 m   0   98  357   97 0
 110   9.035   1.838 113.548 3 U          2.542e+03  0.00e+00 m   0   98   80   97 0
 111   8.071   2.358 123.367 3 U          1.502e+04  0.00e+00 m   0  105  357  104 0
 112   8.071   2.517 123.367 3 U          2.839e+03  0.00e+00 m   0  105   66  104 0
 113   8.071   1.505 123.367 3 U          3.168e+04  0.00e+00 m   0  105  108  104 0
 114   8.071   0.971 123.367 3 U          4.113e+03  0.00e+00 m   0  105  358  104 0
 115   8.071   0.740 123.367 3 U          3.237e+03  0.00e+00 m   0  105  359  104 0
 116   8.250   2.632 119.751 3 U          2.719e+04  0.00e+00 m   0  115  119  114 0
 117   8.250   2.495 119.751 3 U          9.589e+03  0.00e+00 m   0  115  120  114 0
 118   8.250   1.513 119.751 3 U          1.543e+04  0.00e+00 m   0  115  108  114 0
 119   9.015   2.495 116.997 3 U          3.225e+03  0.00e+00 m   0  126  120  125 0
 120   9.015   0.841 116.997 3 U          9.634e+03  0.00e+00 m   0  126  131  125 0
 121   9.015   2.062 116.997 3 U          1.846e+03  0.00e+00 m   0  126  130  125 0
 122   8.841   2.040 116.152 3 U          7.760e+03  0.00e+00 m   0  144  130  143 0
 123   8.841   1.122 116.152 3 U          3.189e+03  0.00e+00 m   0  144  149  143 0
 124   8.841   0.841 116.152 3 U          4.800e+03  0.00e+00 m   0  144  131  143 0
 125   9.015   1.166 116.997 3 U          2.028e+03  0.00e+00 m   0  126  297  125 0
 126   8.874   7.903 125.409 3 U          1.691e+03  0.00e+00 m   0  157  180  156 0
 129   8.874   5.083 125.409 3 U          4.220e+03  0.00e+00 m   0  157  294  156 0
 130   8.874   4.874 125.409 3 U          7.817e+03  0.00e+00 m   0  157  159  156 0
 133   8.874   6.807 125.409 3 U          3.438e+03  0.00e+00 m   0  157  164  156 0
 134   8.874   6.652 125.409 3 U          2.566e+03  0.00e+00 m   0  157    0  156 0
 135   7.903   6.831 123.085 3 U          2.787e+03  0.00e+00 m   0  180  164  179 0
 136   7.903   4.874 123.085 3 U          1.797e+04  0.00e+00 m   0  180  159  179 0
 137   7.903   4.707 123.085 3 U          1.036e+04  0.00e+00 m   0  180  182  179 0
 138   7.903   3.878 123.085 3 U          7.885e+03  0.00e+00 m   0  180  184  179 0
 139   8.562   4.707 126.266 3 U          5.521e+04  0.00e+00 m   0  193  182  192 0
 142   8.120   4.689 119.554 3 U          2.465e+04  0.00e+00 m   0  214  216  213 0
 143   8.120   4.218 119.554 3 U          5.455e+03  0.00e+00 m   0  214  206  213 0
 144   8.120   3.997 119.554 3 U          4.989e+03  0.00e+00 m   0  214  209  213 0
 145   8.209   4.689 108.827 3 U          2.840e+04  0.00e+00 m   0  225  216  224 0
 150   8.391   4.960 122.532 3 U          7.987e+03  0.00e+00 m   0  242  244  241 0
 154   8.746   4.952 124.933 3 U          2.580e+04  0.00e+00 m   0  267  244  266 0
 156   8.019   5.083 116.434 3 U          9.521e+03  0.00e+00 m   0  292  294  291 0
 157   8.019   4.558 116.434 3 U          4.242e+04  0.00e+00 m   0  292  269  291 0
 160   8.874   2.735 125.409 3 U          1.295e+04  0.00e+00 m   0  157  161  156 0
 161   8.874   2.656 125.409 3 U          8.169e+03  0.00e+00 m   0  157  162  156 0
 162   8.874   1.109 125.409 3 U          7.033e+03  0.00e+00 m   0  157  149  156 0
 163   8.874   1.583 125.409 3 U          2.232e+03  0.00e+00 m   0  157  272  156 0
 164   8.562   2.783 126.266 3 U          1.941e+04  0.00e+00 m   0  193  198  192 0
 165   8.562   3.037 126.266 3 U          1.252e+04  0.00e+00 m   0  193  197  192 0
 166   8.562   3.891 126.266 3 U          3.048e+03  0.00e+00 m   0  193  184  192 0
 167   8.562   1.123 126.266 3 U          9.441e+03  0.00e+00 m   0  193  185  192 0
 168   8.120   2.998 119.554 3 U          9.884e+03  0.00e+00 m   0  214  218  213 0
 169   8.120   2.744 119.554 3 U          1.064e+04  0.00e+00 m   0  214  219  213 0
 170   7.903   2.660 123.085 3 U          2.434e+03  0.00e+00 m   0  180  162  179 0
 171   7.903   1.114 123.085 3 U          2.303e+03  0.00e+00 m   0  180  185  179 0
 180   8.391   1.416 122.532 3 U          4.590e+03  0.00e+00 m   0  242  250  241 0
 182   8.746   1.618 124.933 3 U          1.224e+04  0.00e+00 m   0  267  271  266 0
 183   8.746   1.372 124.933 3 U          3.789e+03  0.00e+00 m   0  267  251  266 0
 184   8.746   1.464 124.933 3 U          2.964e+03  0.00e+00 m   0  267  275  266 0
 185   8.019   1.574 116.434 3 U          1.306e+04  0.00e+00 m   0  292  272  291 0
 186   8.019   1.158 116.434 3 U          7.692e+03  0.00e+00 m   0  292  297  291 0
 189   9.042   5.089 123.613 3 U          3.404e+04  0.00e+00 m   0  305  294  304 0
 191   9.042   3.923 123.613 3 U          3.652e+03  0.00e+00 m   0  305  296  304 0
 192   8.405   9.260 119.854 3 U          9.021e+03  0.00e+00 m   0  328  528  327 0
 193   8.405   6.775 119.854 3 U          3.418e+03  0.00e+00 m   0  328  312  327 0
 194   8.405   5.298 119.854 3 U          8.714e+03  0.00e+00 m   0  328  330  327 0
 195   8.405   5.089 119.854 3 U          3.218e+04  0.00e+00 m   0  328  307  327 0
 196   9.086   5.311 124.164 3 U          4.827e+04  0.00e+00 m   0  353  330  352 0
 197   9.086   3.765 124.164 3 U          1.234e+04  0.00e+00 m   0  353  355  352 0
 198   9.086   8.071 124.164 3 U          4.794e+03  0.00e+00 m   0  353  105  352 0
 199   9.447   7.962 129.104 3 U          1.362e+04  0.00e+00 m   0  371  393  370 0
 200   9.447   5.387 129.104 3 U          2.240e+04  0.00e+00 m   0  371  512  370 0
 201   9.447   3.771 129.104 3 U          3.772e+04  0.00e+00 m   0  371  355  370 0
 202   9.447   4.639 129.104 3 U          6.652e+03  0.00e+00 m   0  371  373  370 0
 203   7.962   9.027 110.664 3 U          8.726e+03  0.00e+00 m   0  393  497  392 0
 204   7.962   9.447 110.664 3 U          2.166e+04  0.00e+00 m   0  393  371  392 0
 208   7.962   5.394 110.664 3 U          3.249e+03  0.00e+00 m   0  393  512  392 0
 209   8.464   3.853 120.580 3 U          1.030e+04  0.00e+00 m   0  403  399  402 0
 210   8.464   4.608 120.580 3 U          1.313e+04  0.00e+00 m   0  403  395  402 0
 212   8.369   7.975 119.125 3 U          6.556e+03  0.00e+00 m   0  426  454  425 0
 213   8.369   7.073 119.125 3 U          5.728e+03  0.00e+00 m   0  426  410  425 0
 214   8.369   5.286 119.125 3 U          4.178e+04  0.00e+00 m   0  426  405  425 0
 218   8.489   7.975 122.553 3 U          5.206e+03  0.00e+00 m   0  443  454  442 0
 220   8.489   4.075 122.553 3 U          4.533e+03  0.00e+00 m   0  443  439  442 0
 222   7.975   5.045 119.078 3 U          1.284e+04  0.00e+00 m   0  454  456  453 0
 223   7.975   4.081 119.078 3 U          5.077e+03  0.00e+00 m   0  454  439  453 0
 224   7.975   8.369 119.078 3 U          6.861e+03  0.00e+00 m   0  454  426  453 0
 225   7.975   8.489 119.078 3 U          9.703e+03  0.00e+00 m   0  454  443  453 0
 226   9.042   0.841 123.613 3 U          4.402e+03  0.00e+00 m   0  305  131  304 0
 227   9.042   1.157 123.613 3 U          8.941e+03  0.00e+00 m   0  305  297  304 0
 228   9.042   2.384 123.613 3 U          7.237e+03  0.00e+00 m   0  305  310  304 0
 230   9.042   3.009 123.613 3 U          3.398e+03  0.00e+00 m   0  305  309  304 0
 231   8.405   3.009 119.854 3 U          1.825e+04  0.00e+00 m   0  328  309  327 0
 232   8.405   2.384 119.854 3 U          6.259e+03  0.00e+00 m   0  328  310  327 0
 233   8.405   2.114 119.854 3 U          7.260e+03  0.00e+00 m   0  328  514  327 0
 234   8.405   1.473 119.854 3 U          4.789e+03  0.00e+00 m   0  328  338  327 0
 235   8.405   1.710 119.854 3 U          1.126e+04  0.00e+00 m   0  328  333  327 0
 236   8.405   1.832 119.854 3 U          1.372e+04  0.00e+00 m   0  328  332  327 0
 237   9.086   2.348 124.164 3 U          2.977e+04  0.00e+00 m   0  353  357  352 0
 239   9.086   1.717 124.164 3 U          6.917e+03  0.00e+00 m   0  353  333  352 0
 240   9.086   1.480 124.164 3 U          8.896e+03  0.00e+00 m   0  353  338  352 0
 241   9.086   0.970 124.164 3 U          3.490e+04  0.00e+00 m   0  353  358  352 0
 242   9.086   0.734 124.164 3 U          7.089e+03  0.00e+00 m   0  353  359  352 0
 243   9.447   1.530 129.104 3 U          2.160e+04  0.00e+00 m   0  371  377  370 0
 244   9.447   0.741 129.104 3 U          1.704e+04  0.00e+00 m   0  371  359  370 0
 246   9.447   0.848 129.104 3 U          5.206e+03  0.00e+00 m   0  371  381  370 0
 248   9.447   0.985 129.104 3 U          3.613e+03  0.00e+00 m   0  371  358  370 0
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 524   7.523   1.945 118.229 3 U          4.550e+03  0.00e+00 m   0  751  733  750 0
 525   7.523   1.533 118.229 3 U          7.033e+03  0.00e+00 m   0  751  759  750 0
 526   7.523   1.346 118.229 3 U          4.345e+03  0.00e+00 m   0  751  756  750 0
 527   8.071   4.351 123.367 1 U          1.509e+04  0.00e+00 m   0  105  101  104 0
 528   8.874   3.947 125.409 1 U          8.635e+03  0.00e+00 m   0  157  148  156 0
 529   8.874   5.303 125.409 1 U          3.377e+04  0.00e+00 m   0  157  146  156 0
 530   7.830   2.709 120.850 1 U          3.993e+03  0.00e+00 m   0   61   65   60 0
 531   8.874   4.700 125.409 1 U          4.845e+03  0.00e+00 m   0  157    0  156 0
 532   8.841   5.299 116.152 1 U          4.669e+03  0.00e+00 m   0  144  146  143 0
 535   8.209   1.126 108.827 1 U          4.957e+03  0.00e+00 m   0  225    0  224 0
 536   8.209   4.268 108.827 1 U          1.654e+04  0.00e+00 m   0  225  228  224 0
 537   8.209   3.568 108.827 1 U          2.670e+04  0.00e+00 m   0  225  227  224 0
 539   8.261   3.568 118.114 1 U          4.334e+03  0.00e+00 m   0  232  227  231 0
 540   8.261   4.273 118.114 1 U          5.945e+03  0.00e+00 m   0  232  228  231 0
 541   8.261   4.374 118.114 1 U          1.340e+04  0.00e+00 m   0  232  234  231 0
 542   8.261   3.924 118.114 1 U          1.522e+04  0.00e+00 m   0  232  237  231 0
 543   8.261   3.977 118.114 1 U          9.578e+03  0.00e+00 m   0  232  236  231 0
 544   8.391   3.924 122.532 1 U          9.600e+03  0.00e+00 m   0  242  237  241 0
 545   8.391   3.977 122.532 1 U          7.851e+03  0.00e+00 m   0  242  236  241 0
 546   8.261   2.773 118.114 1 U          2.486e+03  0.00e+00 m   0  232  198  231 0
 547   8.261   3.028 118.114 1 U          5.535e+03  0.00e+00 m   0  232  197  231 0
 548   8.209   3.032 108.827 1 U          2.209e+03  0.00e+00 m   0  225  197  224 0
 549   8.209   2.777 108.827 1 U          1.962e+03  0.00e+00 m   0  225  198  224 0
 550   8.019   3.919 116.434 1 U          1.859e+04  0.00e+00 m   0  292  296  291 0
 551   8.019   1.365 116.434 1 U          2.912e+03  0.00e+00 m   0  292    0  291 0
 552   9.129   5.038 123.531 1 U          4.248e+04  0.00e+00 m   0  479  456  478 0
 553   9.086   1.830 124.164 1 U          3.755e+03  0.00e+00 m   0  353  332  352 0
 554   7.962   4.620 110.664 1 U          1.199e+04  0.00e+00 m   0  393  395  392 0
 555   7.962   4.036 110.664 1 U          1.841e+04  0.00e+00 m   0  393  501  392 0
 556   7.962   3.848 110.664 1 U          1.234e+04  0.00e+00 m   0  393  399  392 0
 557   7.962   3.776 110.664 1 U          5.399e+03  0.00e+00 m   0  393  355  392 0
 558   8.464   4.686 120.580 1 U          1.507e+04  0.00e+00 m   0  403    0  402 0
 559   8.464   3.055 120.580 1 U          7.101e+03  0.00e+00 m   0  403  409  402 0
 560   8.369   4.692 119.125 1 U          2.548e+04  0.00e+00 m   0  426  481  425 0
 561   8.369   3.762 119.125 1 U          8.351e+03  0.00e+00 m   0  426    0  425 0
 564   9.042   6.774 123.613 1 U          6.532e+03  0.00e+00 m   0  305  312  304 0
 565   9.260   1.568 118.854 1 U          5.359e+03  0.00e+00 m   0  528    0  527 0
 566   9.260   1.913 118.854 1 U          7.453e+03  0.00e+00 m   0  528  533  527 0
 567   9.260   2.382 118.854 1 U          3.422e+03  0.00e+00 m   0  528  310  527 0
 568   9.260   5.676 118.854 1 U          1.311e+04  0.00e+00 m   0  528  530  527 0
 569   9.487   5.379 120.931 1 U          1.418e+04  0.00e+00 m   0  510  512  509 0
 570   9.487   5.666 120.931 1 U          2.863e+03  0.00e+00 m   0  510    0  509 0
 571   9.027   1.750 124.619 1 U          2.295e+03  0.00e+00 m   0  497    0  496 0
 572   9.129   1.922 123.531 1 U          5.744e+03  0.00e+00 m   0  479  458  478 0
 573   8.391   4.374 122.532 1 U          4.576e+04  0.00e+00 m   0  242  234  241 0
 574   8.489   4.730 122.553 1 U          8.328e+03  0.00e+00 m   0  443  445  442 0
 575   7.975   4.738 119.078 1 U          1.150e+04  0.00e+00 m   0  454  445  453 0
 576   7.975   3.790 119.078 1 U          2.558e+03  0.00e+00 m   0  454    0  453 0
 577   8.391   4.699 122.532 1 U          2.336e+04  0.00e+00 m   0  242    0  241 0
 578   8.791   5.216 114.988 1 U          4.408e+03  0.00e+00 m   0  557  548  556 0
 579   8.791   3.349 114.988 1 U          4.578e+03  0.00e+00 m   0  557  550  556 0
 580   8.791   2.926 114.988 1 U          2.127e+03  0.00e+00 m   0  557  551  556 0
 582   8.868   2.191 125.774 1 U          7.862e+03  0.00e+00 m   0  546  537  545 0
 583   8.835   4.000 125.879 1 U          1.043e+04  0.00e+00 m   0  624  615  623 0
 584   8.868   5.220 125.774 1 U          1.625e+04  0.00e+00 m   0  546  548  545 0
 585   8.166   2.852 108.253 1 U          5.897e+03  0.00e+00 m   0  578    0  577 0
 586   8.498   3.298 123.519 1 U          4.186e+03  0.00e+00 m   0  585  599  584 0
 587   8.498   2.915 123.519 1 U          6.427e+03  0.00e+00 m   0  585    0  584 0
 588   8.245   5.312 115.951 1 U          1.264e+04  0.00e+00 m   0  611  613  610 0
 589   8.245   2.134 115.951 1 U          2.904e+03  0.00e+00 m   0  611    0  610 0
 590   8.750   5.042 128.447 1 U          1.366e+04  0.00e+00 m   0  693  456  692 0
 593   8.429   4.882 121.209 1 U          4.242e+04  0.00e+00 m   0  682  661  681 0
 594   8.929   5.240 123.358 1 U          7.163e+04  0.00e+00 m   0  659  648  658 0
 595   8.929   4.882 123.358 1 U          1.130e+04  0.00e+00 m   0  659  661  658 0
 596   8.429   2.884 121.209 1 U          2.031e+04  0.00e+00 m   0  682  686  681 0
 597   8.671   1.952 114.359 1 U          2.645e+04  0.00e+00 m   0  703  707  702 0
 599   8.929   1.061 123.358 1 U          1.754e+04  0.00e+00 m   0  659  651  658 0
 600   8.929   1.183 123.358 1 U          3.630e+03  0.00e+00 m   0  659    0  658 0
 601   8.033   1.132 115.575 1 U          1.784e+04  0.00e+00 m   0  646  630  645 0
 602   8.033   1.349 115.575 1 U          3.760e+03  0.00e+00 m   0  646    0  645 0
 603   8.110   8.843 117.988 1 U          2.719e+03  0.00e+00 m   0  773  144  772 0
 607   8.110   4.794 117.988 1 U          9.680e+03  0.00e+00 m   0  773  753  772 0
 609   7.523   4.800 118.229 1 U          4.056e+03  0.00e+00 m   0  751    0  750 0
 613   8.272   4.941 125.967 1 U          3.426e+03  0.00e+00 m   0  817    0  816 0
 615   8.036   4.310 122.287 1 U          9.169e+03  0.00e+00 m   0  867  844  866 0
 616   8.036   4.680 122.287 1 U          1.777e+04  0.00e+00 m   0  867  869  866 0
 617  10.109   4.661 129.337 1 U          7.669e+03  0.00e+00 m   0  884    0  879 0
 619   8.036   1.516 122.287 1 U          3.365e+03  0.00e+00 m   0  867    0  866 0
 620   8.272   1.720 125.967 1 U          5.029e+03  0.00e+00 m   0  817  821  816 0
 621   9.447   9.027 129.104 1 U          3.800e+03  0.00e+00 m   0  371  497  370 0
 624   8.464   5.280 120.580 1 U          3.880e+03  0.00e+00 m   0  403  405  402 0
 625   8.929   9.129 123.358 1 U          2.795e+03  0.00e+00 m   0  659  479  658 0
 626   9.129   8.929 123.531 1 U          1.718e+04  0.00e+00 m   0  479  659  478 0
 627   9.015   5.299 116.997 1 U          2.292e+03  0.00e+00 m   0  126  330  125 0
 630   8.746   4.709 124.933 1 U          7.033e+03  0.00e+00 m   0  267  182  266 0
 631   8.746   8.874 124.933 1 U          1.258e+04  0.00e+00 m   0  267  157  266 0
 662   8.369   3.058 119.125 1 U          1.070e+04  0.00e+00 m   0  426  409  425 0
 663   8.369   3.841 119.125 1 U          4.794e+03  0.00e+00 m   0  426  432  425 0
 672   8.498   8.868 123.519 1 U          1.093e+04  0.00e+00 m   0  585  546  584 0
 674   8.868   8.498 125.774 1 U          1.457e+04  0.00e+00 m   0  546  585  545 0
 676   8.835   9.488 125.879 1 U          9.203e+03  0.00e+00 m   0  624  510  623 0
 691   9.129   4.798 123.531 1 U          3.309e+03  0.00e+00 m   0  479  684  478 0
 694   8.868   5.310 125.774 1 U          3.050e+04  0.00e+00 m   0  546  613  545 0
 695   8.841   8.124 116.152 1 U          4.283e+03  0.00e+00 m   0  144  773  143 0
 696   8.391   1.646 122.532 1 U          1.443e+04  0.00e+00 m   0  242  247  241 0
 697   8.391   1.707 122.532 1 U          1.625e+04  0.00e+00 m   0  242  246  241 0
 698   7.975   3.061 119.078 1 U          2.562e+03  0.00e+00 m   0  454    0  453 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    HN   3   'not observed'   8.335    ppm   .   .   .   4.78   .   .   31018   1
      2   .   .   H   1    H    .   'not observed'   11.907   ppm   .   .   .   4.78   .   .   31018   1
      3   .   .   N   15   N    1   'not observed'   26.11    ppm   .   .   .   119    .   .   31018   1
   stop_
save_