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                         34239
   _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.Experiment_ID                    2
   _Spectral_peak_list.Experiment_name                  '3D 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
   1  2.192 120.966  8.383  1 U  2.54e+08        0 e 0  132  142  141 
   2  3.997 120.996  8.412  1 U   1.1e+09        0 e 0  131  142  141 
   3  2.077 121.030  8.398  1 U   1.3e+09        0 e 0  139  142  141 
   4  4.502 120.005  8.009  1 U  5.61e+07        0 e 0   93  101  100 
   5  3.856 120.005  7.999  1 U  2.13e+10        0 e 0   98  101  100 
   6  2.740 120.005  7.999  1 U  3.06e+08        0 e 0   96  101  100 
   7  1.918 120.005  8.004  1 U  9.87e+08        0 e 0   99  101  100 
   8  1.080 120.005  7.995  1 U  3.58e+08        0 e 0  102  101  100 
   9  0.894 120.005  7.999  1 U  6.62e+08        0 e 0  103  101  100 
  10  2.131 121.036  8.394  1 U  2.66e+09        0 e 0  109  108  107 
  11  4.036 117.374  8.215  1 U  1.96e+08        0 e 0  106  114  113 
  12  4.133 117.374  8.215  1 U  4.97e+10        0 e 0  112  114  113 
  13  2.131 117.374  8.225  1 U  1.26e+09        0 e 0  115  114  113 
  14  2.114 117.374  8.225  1 U  5.08e+08        0 e 0  109  114  113 
  15  4.141 116.907  8.120  1 U  1.74e+09        0 e 0  112  120  119 
  16  2.106 116.907  8.125  1 U  2.55e+08        0 e 0  115  120  119 
  17  2.789 116.907  8.129  1 U   7.6e+08        0 e 0  121  120  119 
  18  4.658 116.907  8.129  1 U  8.65e+08        0 e 0  118  120  119 
  19  2.816 118.270  8.238  1 U  2.28e+08        0 e 0  121  128  127 
  20  4.763 118.270  8.238  1 U  2.65e+09        0 e 0  124  128  127 
  21  4.662 118.270  8.233  1 U -2.91e+08        0 e 0  118  128  127 
  22  4.750 119.108  8.044  1 U  1.04e+09        0 e 0  124  134  133 
  23  2.881 119.108  8.049  1 U  1.36e+08        0 e 0  125  134  133 
  24  2.756 119.108  8.049  1 U  1.85e+08        0 e 0  126  134  133 
  25  4.082 119.108  8.049  1 U  4.84e+10        0 e 0  131  134  133 
  26  2.157 119.108  8.053  1 U  1.45e+09        0 e 0  132  134  133 
  27  0.969 119.088  8.050  1 U  1.46e+09        0 e 0  135  134  133 
  28  2.013 121.047  8.399  1 U     2e+09        0 e 0  140  142  141 
  29  0.928 121.047  8.394  1 U  9.92e+08        0 e 0  135  142  141 
  30  4.240 120.603  8.309  1 U  5.44e+08        0 e 0  146  145  144 
  31  4.332 113.124  8.098  1 U  1.42e+09        0 e 0  156  159  158 
  32  4.730 113.124  8.098  1 U  1.38e+09        0 e 0  157  159  158 
  33  3.967 121.807  8.430  1 U -1.15e+08        0 e 0  163  162  161 
  34  4.024 120.131  8.160  1 U  1.91e+09        0 e 0  165  168  167 
  35  1.916 120.107  8.161  1 U  8.69e+08        0 e 0  166  168  167 
  36  1.468 120.107  8.156  1 U  4.66e+08        0 e 0  169  168  167 
  37  0.901 120.107  8.156  1 U  4.36e+08        0 e 0  170  168  167 
  38  4.728 121.807  8.426  1 U  5.24e+09        0 e 0  157  162  161 
  39  4.736 120.107  8.156  1 U  7.42e+08        0 e 0  157  168  167 
  40  4.221 119.401  7.774  1 U  2.13e+06        0 e 0   14   22   21 
  41  4.671 119.348  7.777  1 U   1.4e+10        0 e 0   20   22   21 
  42  2.834 119.308  7.793  1 U  1.62e+10        0 e 0   23   22   21 
  43  4.019 120.140  7.741  1 U  2.63e+09        0 e 0   25   27   26 
  44  4.604 120.173  7.738  1 U  3.05e+09        0 e 0   20   27   26 
  45  2.822 120.173  7.738  1 U  3.01e+08        0 e 0   23   27   26 
  46  1.675 120.156  7.743  1 U  5.48e+07        0 e 0   28   27   26 
  47  0.903 120.173  7.738  1 U  5.09e+08        0 e 0   29   27   26 
  48  3.822 117.845  8.340  1 U  1.25e+09        0 e 0   32   34   33 
  49  2.154 117.845  8.336  1 U  3.07e+08        0 e 0   35   34   33 
  50  4.008 117.845  8.345  1 U  1.42e+09        0 e 0   25   34   33 
  51  2.254 117.845  8.345  1 U  1.58e+09        0 e 0   41   34   33 
  52  1.679 117.845  8.345  1 U  4.57e+07        0 e 0   28   34   33 
  53  4.133 117.204  7.932  1 U  7.85e+08        0 e 0   38   40   39 
  54  3.804 117.204  7.931  1 U  6.11e+08        0 e 0   32   40   39 
  55  2.236 117.204  7.931  1 U  2.57e+09        0 e 0   41   40   39 
  56  4.061 118.647  7.928  1 U  2.58e+09        0 e 0   38   45   44 
  57  4.175 118.647  7.928  1 U -3.78e+08        0 e 0   43   45   44 
  58  2.227 118.647  7.923  1 U  1.11e+08        0 e 0   41   45   44 
  59  1.984 118.647  7.913  1 U  1.49e+08        0 e 0   46   45   44 
  60  1.794 118.647  7.928  1 U   1.6e+08        0 e 0   47   45   44 
  61  1.590 118.647  7.923  1 U  1.79e+07        0 e 0   48   45   44 
  62  2.760 119.410  7.721  1 U  3.47e+09        0 e 0   96   95   94 
  63  1.643 119.410  7.725  1 U  5.99e+08        0 e 0   89   95   94 
  64  3.940 119.410  7.726  1 U  1.78e+09        0 e 0   86   95   94 
  65  4.518 119.410  7.725  1 U  9.93e+09        0 e 0   93   95   94 
  66  3.866 121.030  8.390  1 U  4.38e+08        0 e 0   98  108  107 
  67  4.761 116.907  8.130  1 U  3.32e+08        0 e 0  124  120  119 
  68  2.109 119.108  8.044  1 U  2.03e+08        0 e 0  139  134  133 
  69  2.213 121.047  8.394  1 U  1.98e+09        0 e 0  132  142  141 
  70  4.106 121.047  8.400  1 U -5.62e+07        0 e 0  106  108  107 
  71  4.294 121.047  8.403  1 U  4.68e+09        0 e 0  138  142  141 
  72  3.989 121.698  8.427  1 U -1.13e+08        0 e 0  165  177  176 
  73  4.113 121.698  8.417  1 U  3.65e+10        0 e 0  173  177  176 
  74  4.249 118.511  8.144  1 U  1.19e+10        0 e 0  181  183  182 
  75  2.084 121.698  8.412  1 U     1e+10        0 e 0  174  177  176 
  76  2.084 118.241  8.157  1 U  1.81e+10        0 e 0  184  183  182 
  77  2.050 119.858  7.872  1 U -4.93e+08        0 e 0  184  188  187 
  78  0.845 119.858  7.883  1 U   6.7e+08        0 e 0  190  188  187 
  79  1.718 119.858  7.891  1 U  9.91e+09        0 e 0  189  188  187 
  80  3.856 119.396  8.412  1 U  5.96e+08        0 e 0  213  215  214 
  81  2.074 119.396  8.412  1 U  1.28e+09        0 e 0  216  215  214 
  82  2.097 118.455  8.151  1 U  1.81e+10        0 e 0  216  223  222 
  83  2.435 118.455  8.142  1 U  2.29e+09        0 e 0  221  223  222 
  84  2.673 118.455  8.128  1 U -1.36e+06        0 e 0  220  223  222 
  85  4.311 118.455  8.139  1 U -2.82e+06        0 e 0  219  223  222 
  86  4.322 121.040  7.936  1 U -1.15e+08        0 e 0  228  233  232 
  87  4.379 121.040  7.941  1 U  2.79e+09        0 e 0  219  233  232 
  88  3.552 121.040  7.941  1 U  2.88e+09        0 e 0  229  233  232 
  89  3.290 121.040  7.936  1 U   5.8e+08        0 e 0  230  233  232 
  90  2.673 121.040  7.936  1 U  1.17e+09        0 e 0  220  233  232 
  91  2.098 121.040  7.936  1 U  4.84e+08        0 e 0  221  233  232 
  92  2.131 118.517  8.277  1 U  2.91e+06        0 e 0  238  240  239 
  93  1.015 118.517  8.277  1 U   7.2e+08        0 e 0  241  240  239 
  94  0.919 118.517  8.282  1 U  2.84e+09        0 e 0  242  240  239 
  95  3.642 118.517  8.268  1 U   2.7e+09        0 e 0  237  240  239 
  96  4.109 117.946  8.094  1 U  1.84e+07        0 e 0   59   67   66 
  97  3.994 117.946  8.089  1 U -2.92e+06        0 e 0   65   67   66 
  98  3.197 117.946  8.094  1 U  6.08e+08        0 e 0   62   67   66 
  99  2.289 117.946  8.089  1 U  1.83e+09        0 e 0   69   67   66 
 100  2.049 117.946  8.089  1 U -1.88e+06        0 e 0   68   67   66 
 101  3.191 117.710  8.196  1 U  2.49e+09        0 e 0   62   61   60 
 102  4.087 117.710  8.197  1 U  4.56e+10        0 e 0   59   61   60 
 ##103  2.150 117.710  8.220  1 U  1.94e+10        0 e 0   68   61   60 
 104  4.113 118.490  8.372  1 U -2.07e+09        0 e 0   59   53   52 
 105  4.203 118.490  8.367  1 U -7.84e+08        0 e 0   51   53   52 
 106  3.124 118.490  8.363  1 U  2.37e+08        0 e 0   54   53   52 
 107  1.979 118.490  8.367  1 U  8.64e+08        0 e 0   46   53   52 
 108  3.647 118.536  8.488  1 U  3.63e+09        0 e 0  256  259  258 
 109  2.103 118.536  8.488  1 U  9.46e+08        0 e 0  257  259  258 
 110  1.005 118.536  8.497  1 U  5.77e+08        0 e 0  261  259  258 
 111  3.856 116.070  8.065  1 U  3.97e+09        0 e 0  265  264  263 
 112  2.103 116.070  8.079  1 U   6.8e+08        0 e 0  257  264  263 
 113  3.809 116.736  7.586  1 U  4.99e+09        0 e 0  265  272  271 
 114  4.825 116.736  7.582  1 U   6.1e+08        0 e 0  268  272  271 
 115  2.782 116.736  7.582  1 U  8.46e+08        0 e 0  269  272  271 
 116  2.659 116.736  7.586  1 U  7.49e+08        0 e 0  270  272  271 
 117  3.773 121.075  7.801  1 U  5.31e+09        0 e 0  274  277  276 
 118  2.101 121.075  7.787  1 U  1.45e+09        0 e 0  275  277  276 
 119  1.668 121.075  7.796  1 U  7.78e+08        0 e 0  279  277  276 
 120  0.875 121.075  7.782  1 U  1.22e+09        0 e 0  278  277  276 
 121  1.843 116.451  7.730  1 U  6.14e+08        0 e 0  300  299  298 
 122  0.895 116.451  7.734  1 U   3.2e+08        0 e 0  301  299  298 
 123  4.266 119.875  7.950  1 U  5.64e+09        0 e 0  289  293  292 
 124  3.983 119.875  7.931  1 U  6.28e+09        0 e 0  283  293  292 
 125  3.128 119.875  7.955  1 U  1.52e+09        0 e 0  294  293  292 
 126  2.031 119.875  7.936  1 U  1.63e+10        0 e 0  286  293  292 
 ##127  1.873 119.875  7.950  1 U  1.02e+09        0 e 0  300  293  292 
 128  3.988 119.481  7.927  1 U  3.33e+10        0 e 0  283  285  284 
 129  3.848 119.481  7.931  1 U -1.76e+04        0 e 0  280  285  284 
 130  3.114 119.481  7.945  1 U   1.8e+09        0 e 0  294  285  284 
 131  2.027 119.481  7.941  1 U  1.82e+10        0 e 0  286  285  284 
 132  4.361 119.909  7.872  1 U  2.43e+09        0 e 0  186  188  187 
 133  3.420 120.029  7.865  1 U  8.84e+09        0 e 0  254  252  251 
 ##134  1.943 120.029  7.860  1 U  1.91e+10        0 e 0  257  252  251 
 135  3.950 120.200  7.936  1 U -7.35e+06        0 e 0   65   74   73 
 136  1.871 120.200  7.932  1 U  -5.1e+07        0 e 0   72   74   73 
 137  1.550 120.200  7.923  1 U -5.35e+05        0 e 0   76   74   73 
 138  0.793 120.200  7.927  1 U  1.59e+08        0 e 0   75   74   73 
 139  1.913 118.352  7.819  1 U  1.05e+09        0 e 0   79   81   80 
 140  1.151 118.352  7.838  1 U  1.65e+09        0 e 0   83   81   80 
 141  0.835 118.352  7.828  1 U  8.54e+08        0 e 0   82   81   80 
 142  1.011 118.352  7.828  1 U -1.08e+07        0 e 0   84   81   80 
 143  3.790 118.352  7.828  1 U -1.72e+06        0 e 0   78   81   80 
 144  1.638 120.132  7.936  1 U  1.92e+10        0 e 0   89   88   87 
 145  0.801 120.132  7.920  1 U  2.73e+08        0 e 0   90   88   87 
 146  3.985 120.132  7.941  1 U  5.55e+06        0 e 0   86   88   87 
 147  1.833 116.127  7.604  1 U  5.59e+09        0 e 0  203  202  201 
 148  1.832 119.190  7.790  1 U  7.57e+10        0 e 0  194  196  195 
 149  1.839 120.996  8.407  1 U  4.53e+08        0 e 0   17   16   15 
 150  7.924 120.996  8.391  1 U  4.04e+08        0 e 0  232  215  214 
 151  7.985 118.536  8.359  1 U  1.35e+09        0 e 0   44   53   52 
 152  8.037 119.396  8.417  1 U  5.69e+06        0 e 0  207  215  214 
 153  8.463 119.396  7.786  1 U  4.46e+08        0 e 0   15   22   21 
 154  8.263 121.807  8.426  1 U  4.01e+08        0 e 0  167  162  161 
 155  8.294 121.698  8.412  1 U  6.35e+08        0 e 0  144  162  161 
 156  8.050 121.047  8.395  1 U  3.71e+08        0 e 0  133  142  141 
 157  7.815 121.030  7.933  1 U  3.88e+08        0 e 0  276  285  284 
 158  7.598 121.030  7.794  1 U  1.94e+08        0 e 0  201  196  195 
 159  7.912 117.840  8.341  1 U -2.68e+09        0 e 0   39   34   33 
 160  7.795 117.857  8.341  1 U  4.95e+09        0 e 0   21   34   33 
 161  7.710 117.862  8.339  1 U -2.77e+09        0 e 0   26   34   33 
 162  7.942 117.845  8.088  1 U  7.78e+08        0 e 0   87   67   66 
 163  8.349 117.920  8.216  1 U  2.43e+10        0 e 0   52   61   60 
 164  8.194 117.845  8.093  1 U  3.76e+10        0 e 0   60   67   66 
 165  8.372 117.845  8.097  1 U -2.32e+05        0 e 0   52   67   66 
 166  7.937 118.517  8.143  1 U  9.14e+08        0 e 0  232  223  222 
 167  8.389 118.517  8.143  1 U  2.14e+08        0 e 0  214  223  222 
 168  7.850 118.517  8.482  1 U -1.02e+09        0 e 0  251  259  258 
 169  8.455 118.270  8.097  1 U  8.18e+07        0 e 0  258  244  243 
 170  8.220 118.270  8.028  1 U  4.51e+08        0 e 0  127  134  133 
 171  8.072 117.710  8.201  1 U  1.19e+09        0 e 0   66   61   60 
 172  7.902 117.710  8.084  1 U  2.89e+08        0 e 0   73   67   66 
 173  7.933 117.710  8.345  1 U  1.74e+08        0 e 0   39   34   33 
 174  8.137 117.408  8.215  1 U  4.32e+10        0 e 0  119  114  113 
 175  8.011 117.408  8.210  1 U -1.45e+04        0 e 0  100  114  113 
 176  7.811 117.408  7.932  1 U  2.58e+08        0 e 0   26   40   39 
 177  7.824 118.241  7.917  1 U  2.19e+08        0 e 0   80   74   73 
 178  8.055 118.241  7.830  1 U  7.13e+07        0 e 0   66   81   80 
 179  8.389 118.241  8.160  1 U   4.6e+09        0 e 0  176  183  182 
 180  8.050 116.907  8.120  1 U  1.72e+09        0 e 0  100  120  119 
 181  8.246 116.907  8.129  1 U  2.22e+09        0 e 0  127  120  119 
 182  8.355 116.907  8.134  1 U -1.41e+09        0 e 0  107  120  119 
 183  8.472 119.108  8.048  1 U -1.72e+07        0 e 0  141  134  133 
 184  8.250 119.108  8.048  1 U -2.77e+07        0 e 0  127  134  133 
 185  8.132 119.108  8.408  1 U  9.38e+07        0 e 0  167  177  176 
 186  8.221 117.946  8.089  1 U  1.28e+11        0 e 0   60   67   66 
 187  7.930 117.946  8.336  1 U  2.19e+08        0 e 0   39   34   33 
 188  7.748 119.396  7.935  1 U  2.14e+08        0 e 0   94   88   87 
 189  7.995 119.396  7.712  1 U  2.22e+08        0 e 0  100   95   94 
 190  7.849 116.907  7.931  1 U  1.39e+08        0 e 0   21   40   39 
 191  7.610 116.070  8.065  1 U  2.98e+08        0 e 0  271  264  263 
 192  7.800 116.070  7.620  1 U  2.15e+08        0 e 0  195  202  201 
 193  7.865 118.455  8.277  1 U  9.45e+08        0 e 0  251  240  239 
 194  8.343 117.204  7.928  1 U  5.57e+08        0 e 0   33   40   39 
 #195  8.444 117.204  7.936  1 U -2.51e+08        0 e 0   53   40   39 
 196  8.419 117.204  8.227  1 U  1.47e+08        0 e 0  107  114  113 
 197  7.916 116.451  7.738  1 U  2.36e+08        0 e 0  284  299  298 
 198  7.934 116.451  7.564  1 U  5.37e+08        0 e 0  284  272  271 
 199  7.942 116.736  7.593  1 U  7.54e+08        0 e 0  284  272  271 
 200  8.306 116.736  8.131  1 U  1.96e+08        0 e 0  127  120  119 
 201  8.177 120.249  7.905  1 U -3.05e+08        0 e 0  167  188  187 
 202  7.780 120.107  7.999  1 U  3.69e+08        0 e 0   94  101  100 
 203  8.432 120.107  7.732  1 U -1.04e+09        0 e 0  107   95   94 
 204  4.616 120.542  8.097  1 U  1.04e+09        0 e 0  228  244  243 
 205  3.370 120.542  8.106  1 U  9.33e+08        0 e 0  230  244  243 
 206  8.032 120.542  8.094  1 U  2.33e+09        0 e 0  232  244  243 
 207  8.262 120.542  8.102  1 U  4.51e+08        0 e 0  239  244  243 
 208  8.276 120.005  7.993  1 U  6.11e+08        0 e 0  113  101  100 
 209  8.529 120.005  7.857  1 U   4.7e+08        0 e 0  258  252  251 
 210  8.355 120.005  7.739  1 U  2.35e+08        0 e 0   33   27   26 
 211  7.926 120.005  7.743  1 U  7.93e+08        0 e 0   39   27   26 
 212  7.790 119.779  8.000  1 U  4.64e+07        0 e 0   94  101  100 
 213  8.116 119.875  7.867  1 U  5.85e+07        0 e 0  182  188  187 
 214  7.694 119.875  7.869  1 U  4.71e+06        0 e 0  201  188  187 
 215  7.829 119.875  7.919  1 U  2.01e+11        0 e 0  298  293  292 
 216  7.720 119.974  7.943  1 U  1.65e+11        0 e 0  298  285  284 
 217  7.942 118.352  8.265  1 U  2.29e+08        0 e 0  232  240  239 
 218  3.398 119.410  8.421  1 U  5.84e+08        0 e 0  210  215  214 
 219  4.659 117.408  8.210  1 U  4.37e+08        0 e 0  118  114  113 
 220  2.506 117.204  7.927  1 U  6.54e+09        0 e 0   35   40   39 
 221  4.572 117.204  7.932  1 U  2.83e+08        0 e 0   20   40   39 
 222  4.124 116.451  7.734  1 U  1.78e+09        0 e 0  297  299  298 
 223  4.710 114.288  8.034  1 U  1.82e+08        0 e 0  205  208  207 
 224  1.855 113.124  8.102  1 U  4.93e+08        0 e 0  152  159  158 
 #225  4.716 121.698  8.425  1 U  4.02e+09        0 e 0  157  177  176 
 226  2.324 121.698  8.417  1 U  2.58e+06        0 e 0  174  177  176 
 227  0.884 121.698  8.417  1 U  9.87e+09        0 e 0  170  177  176 
 228  0.825 117.710  8.206  1 U   2.7e+09        0 e 0   82   61   60 
 229  4.045 118.352  7.828  1 U -1.62e+08        0 e 0   71   81   80 
 230  4.746 117.060  8.818  1 U  4.81e+08        0 e 0    3   11   10 
 231  8.459 119.308  7.723  1 U  2.43e+07        0 e 0   15   27   26 
 232  8.706 119.321  7.793  1 U  1.54e+09        0 e 0   10   22   21 
 233  7.899 119.408  7.746  1 U  4.61e+10        0 e 0   21   27   26 
 234  4.147 119.406  7.776  1 U  2.52e+09        0 e 0   38   22   21 
 235  4.176 119.349  7.787  1 U  6.25e+09        0 e 0   38   22   21 
 236  7.920 117.710  8.201  1 U -1.07e+08        0 e 0   73   61   60 
 237  8.276 117.204  7.923  1 U -1.04e+08        0 e 0   33   45   44 
 238  8.002 118.352  7.828  1 U  5.37e+08        0 e 0   87   81   80 
 239  8.171 120.201  7.937  1 U  1.29e+06        0 e 0  222  233  232 
 240  8.010 120.232  7.876  1 U  1.76e+11        0 e 0  100   88   87 
 241  8.242 121.047  8.395  1 U  1.46e+10        0 e 0  144  142  141 
 242  3.963 120.002  8.158  1 U  6.27e+09        0 e 0  163  168  167 
 243  8.159 121.807  8.430  1 U -5.42e+08        0 e 0  158  162  161 
 244  7.822 119.909  7.862  1 U -3.24e+07        0 e 0  195  188  187 
 245  7.946 120.542  8.098  1 U -1.88e+08        0 e 0  251  244  243 
 246  7.824 116.736  7.585  1 U  9.98e+08        0 e 0  276  272  271 
 247  8.129 119.875  7.949  1 U  1.61e+11        0 e 0  284  293  292 
 248  4.201 117.710  8.201  1 U  1.07e+07        0 e 0   51   61   60 
 249  3.849 120.132  7.945  1 U  6.96e+09        0 e 0   78   88   87 
 250  4.106 120.072  8.160  1 U  8.02e+08        0 e 0  149  151  150 
 251  3.936 120.072  8.155  1 U -3.63e+07        0 e 0  146  151  150 
 252  4.380 121.807  8.435  1 U  5.03e+10        0 e 0  156  162  161 
 253  4.114 118.241  8.165  1 U  1.18e+04        0 e 0  173  183  182 
 254  4.253 119.909  7.869  1 U  3.84e+09        0 e 0  181  188  187 
 255  4.670 119.293  7.797  1 U  3.71e+09        0 e 0  192  196  195 
 256  4.297 119.293  7.802  1 U  3.01e+08        0 e 0  186  196  195 
 257  1.918 119.293  7.801  1 U -7.18e+09        0 e 0  193  196  195 
 258  4.202 116.127  7.600  1 U  3.64e+08        0 e 0  200  202  201 
 259  4.119 116.127  7.621  1 U  4.12e+08        0 e 0  192  202  201 
 260  4.297 118.517  8.282  1 U  2.61e+08        0 e 0  228  240  239 
 261  4.071 120.029  7.863  1 U     1e+10        0 e 0  245  252  251 
 262  4.320 118.536  8.480  1 U  1.27e+08        0 e 0  247  259  258 
 263  3.654 116.070  8.063  1 U  3.63e+05        0 e 0  256  264  263 
 264  3.884 117.408  8.206  1 U   1.1e+06        0 e 0   98  114  113 
 265  8.389 118.270  8.258  1 U  1.39e+09        0 e 0  141  128  127 
 266  8.350 120.072  8.007  1 U  1.06e+09        0 e 0  107  101  100 
 267  8.350 119.108  8.044  1 U -4.89e+08        0 e 0  144  134  133 
 268  4.047 120.634  8.309  1 U -2.69e+09        0 e 0  131  145  144 
 269  4.227 120.072  8.155  1 U -1.06e+10        0 e 0  138  151  150 
 270  4.514 117.408  8.215  1 U  1.14e+08        0 e 0   93  114  113 
 271  3.940 116.907  8.120  1 U  6.18e+08        0 e 0   98  120  119 
 272  4.214 120.200  7.923  1 U  2.89e+10        0 e 0   51   74   73 
 273  4.145 118.352  7.824  1 U  6.35e+08        0 e 0   59   81   80 
 274  4.070 120.132  7.940  1 U  9.53e+09        0 e 0   65   88   87 
 275  3.905 121.075  7.780  1 U  1.85e+09        0 e 0  265  277  276 
 276  3.758 119.481  7.927  1 U   2.1e+10        0 e 0  274  285  284 
 277  3.758 119.875  7.936  1 U  1.08e+10        0 e 0  274  293  292 
 278  4.845 121.075  7.780  1 U  1.09e+09        0 e 0  268  277  276 
 279  4.240 116.451  7.734  1 U  4.98e+07        0 e 0  289  299  298 
 280  4.158 118.490  8.372  1 U  6.28e+09        0 e 0   43   53   52 
 281  4.019 118.647  7.931  1 U -2.06e+07        0 e 0   25   45   44 
 282  4.245 117.845  8.332  1 U  3.48e+06        0 e 0   14   34   33 
 283  8.359 117.946  8.089  1 U -3.02e+08        0 e 0   52   67   66 
 284  7.950 120.200  7.883  1 U  5.99e+08        0 e 0   87   74   73 
 285  4.210 117.946  8.093  1 U  4.53e+10        0 e 0   51   67   66 
 286  4.104 120.200  7.927  1 U  8.03e+09        0 e 0   59   74   73 
 287  3.951 118.352  7.828  1 U  1.41e+09        0 e 0   65   81   80 
 288  4.009 120.132  7.953  1 U  9.57e+09        0 e 0   71   88   87 
 289  4.480 120.173  7.752  1 U  1.09e+08        0 e 0    8   27   26 
 290  4.010 120.005  8.003  1 U -1.29e+08        0 e 0   86  101  100 
 291  4.066 120.072  8.155  1 U -1.12e+09        0 e 0  131  151  150 
 292  4.245 113.124  8.098  1 U  1.19e+08        0 e 0  138  159  158 
 293  4.380 117.845  8.336  1 U  3.48e+09        0 e 0    8   34   33 
 294  4.262 117.204  7.940  1 U -6.97e+05        0 e 0   14   40   39 
 295  4.727 118.647  7.914  1 U  1.37e+08        0 e 0   20   45   44 
 296  3.589 118.536  8.490  1 U -1.28e+05        0 e 0  237  259  258 
 297  4.402 118.536  8.473  1 U  2.43e+08        0 e 0  245  259  258 
 298  4.049 116.070  8.076  1 U  7.96e+08        0 e 0  245  264  263 
 299  8.072 120.029  7.846  1 U -2.24e+05        0 e 0  263  252  251 
 300  4.027 118.241  8.162  1 U  2.54e+10        0 e 0  165  183  182 
 301  4.136 119.909  7.874  1 U -1.33e+08        0 e 0  173  188  187 
 302  4.197 119.293  7.788  1 U  7.53e+09        0 e 0  181  196  195 
 303  7.868 119.293  8.032  1 U  3.93e+08        0 e 0  195  208  207 
 304  3.933 121.698  8.421  1 U  2.09e+10        0 e 0  163  177  176 
 305  4.071 116.907  8.120  1 U -6.65e+06        0 e 0  106  120  119 
 306  4.423 113.124  8.098  1 U  3.44e+08        0 e 0  146  159  158 
 307  3.997 119.909  7.865  1 U  1.05e+08        0 e 0  165  188  187 
 308  4.101 119.293  7.788  1 U  9.93e+09        0 e 0  173  196  195 
 309  4.166 118.455  8.147  1 U -3.98e+06        0 e 0  200  223  222 
 310  4.697 118.455  8.143  1 U  4.21e+10        0 e 0  205  223  222 
 311  3.649 121.075  7.784  1 U  3.72e+09        0 e 0  256  277  276 
 312  4.732 120.634  8.309  1 U  5.64e+08        0 e 0  124  145  144 
 313  1.866 119.410  7.799  1 U  3.12e+07        0 e 0   17   22   21 
 314  1.770 119.410  7.729  1 U  1.62e+10        0 e 0   89   95   94 
 315  2.831 119.410  7.790  1 U  1.21e+09        0 e 0   23   22   21 
 ##316  3.092 118.647  7.936  1 U  1.82e+08        0 e 0   54   45   44 
 317  0.961 118.270  8.267  1 U  6.35e+08        0 e 0  135  128  127 
 318  0.952 117.845  8.340  1 U   2.6e+08        0 e 0   29   34   33 
 ##319  0.944 118.455  8.152  1 U  1.81e+09        0 e 0  242  223  222 
 320  4.122 121.807  8.430  1 U  1.22e+10        0 e 0  149  162  161 
 321  7.589 121.075  7.793  1 U  2.16e+08        0 e 0  271  277  276 
 322  7.920 120.173  7.747  1 U     7e+08        0 e 0   44   27   26 
 323  8.398 120.005  8.007  1 U  2.51e+08        0 e 0  107  101  100 
 324  3.788 119.410  7.729  1 U  9.16e+08        0 e 0   78   95   94 
 325  3.797 118.517  8.278  1 U  7.85e+08        0 e 0  213  240  239 
 326  7.894 118.455  8.143  1 U  6.17e+08        0 e 0  187  183  182 
 327  1.848 118.455  8.143  1 U  2.14e+05        0 e 0  203  223  222 
 328  2.153 118.270  8.249  1 U  1.38e+10        0 e 0  115  128  127 
 329  7.829 118.270  8.154  1 U  4.91e+08        0 e 0  195  183  182 
 330  8.511 117.845  8.340  1 U  3.34e+08        0 e 0   10   34   33 
 331  1.822 117.845  8.332  1 U  2.75e+08        0 e 0   47   34   33 
 332  1.544 117.845  8.340  1 U  7.67e+07        0 e 0   48   34   33 
 ##333  1.900 117.946  8.089  1 U  4.19e+07        0 e 0   72   67   66 
 ##334  2.588 117.946  8.089  1 U  7.94e+08        0 e 0   96   67   66 
 335  2.261 117.408  8.232  1 U  1.22e+09        0 e 0  132  114  113 
 ##336  2.080 117.204  7.927  1 U  1.87e+09        0 e 0   68   40   39 
 337  2.385 117.204  7.936  1 U  1.72e+09        0 e 0   69   40   39 
 338  2.897 116.907  8.125  1 U  8.25e+08        0 e 0  125  120  119 
 339  0.981 116.070  8.071  1 U  5.32e+08        0 e 0  261  264  263 
 340  0.914 116.665  7.583  1 U         0        0 - 0  278  272  271 
 341  3.672 116.736  7.594  1 U  1.44e+09        0 e 0  256  272  271 
 #342  1.259 113.124  8.098  1 U  2.26e+08        0 e 0  169  159  158 
 343  0.922 120.996  8.391  1 U  2.77e+09        0 e 0   29   16   15 
 344  4.227 120.996  8.387  1 U  1.37e+10        0 e 0   14   16   15 
 345  3.400 119.875  7.867  1 U  1.39e+09        0 e 0  210  188  187 
 ##346  2.190 119.396  8.412  1 U  1.21e+09        0 e 0  221  215  214 
 347  4.565 119.396  8.412  1 U  1.52e+08        0 e 0  192  215  214 
 348  7.811 116.127  7.621  1 U  1.82e+08        0 e 0  195  202  201 
 349  2.035 118.352  7.828  1 U   1.2e+08        0 e 0   68   81   80 
 350  1.557 120.029  7.916  1 U  3.73e+09        0 e 0   76   74   73 
 ##351  1.809 120.029  7.742  1 U  5.03e+09        0 e 0  152  145  144 
 352  0.965 120.029  7.742  1 U  1.17e+09        0 e 0  135  145  144 
 ##353  0.904 119.481  7.931  1 U  5.56e+08        0 e 0  301  285  284 
 ##354  1.870 119.481  7.936  1 U   1.9e+10        0 e 0  300  285  284 
 355  4.401 120.542  8.089  1 U  8.62e+08        0 e 0  245  244  243 
 356  8.389 117.204  7.932  1 U  4.44e+08        0 e 0   52   40   39 
 357  8.194 118.647  7.923  1 U  1.94e+08        0 e 0   60   45   44 
 358  7.946 117.710  8.193  1 U  8.84e+07        0 e 0   44   61   60 
 359  7.933 118.490  8.372  1 U  4.71e+08        0 e 0   39   53   52 
 360  3.832 118.490  8.376  1 U  4.16e+08        0 e 0   32   53   52 
 361  7.824 119.410  7.729  1 U  4.48e+10        0 e 0   80   95   94 
 362  4.088 119.410  7.721  1 U  2.71e+09        0 e 0   71   95   94 
 363  4.662 119.108  8.044  1 U  9.84e+08        0 e 0  118  134  133 
 364  8.111 121.807  8.417  1 U  8.84e+07        0 e 0  150  162  161 
 365  8.333 121.807  8.422  1 U  8.69e+08        0 e 0  144  162  161 
 366  8.111 120.107  8.165  1 U  1.07e+09        0 e 0  150  168  167 
 367  4.140 117.710  8.206  1 U  1.05e+10        0 e 0   38   61   60 
 368  4.166 117.946  8.085  1 U  1.32e+10        0 e 0   43   67   66 
 369  4.040 121.030  8.394  1 U  9.98e+09        0 e 0   86  108  107 
 370  4.649 121.047  8.403  1 U  7.93e+09        0 e 0  118  142  141 
 371  4.266 121.807  8.430  1 U  1.23e+10        0 e 0  146  162  161 
 372  4.310 120.542  8.089  1 U   1.8e+08        0 e 0  219  244  243 
 373  8.163 119.108  8.057  1 U   2.6e+09        0 e 0  119  134  133 
 374  8.089 120.107  8.156  1 U  8.87e+08        0 e 0  158  168  167 
 375  8.403 121.807  8.426  1 U  1.14e+09        0 e 0  176  162  161 
 376  8.163 120.107  8.156  1 U  1.93e+09        0 e 0  167  183  182 
 377  8.403 119.909  7.865  1 U  2.71e+08        0 e 0  176  188  187 
 378  4.662 114.257  8.026  1 U  5.44e+08        0 e 0  192  208  207 
 379  8.020 118.455  8.139  1 U  2.07e+09        0 e 0  207  223  222 
 380  3.866 121.040  7.945  1 U  5.63e+08        0 e 0  213  233  232 
 381  8.142 118.517  8.269  1 U  1.04e+09        0 e 0  222  240  239 
 382  4.027 116.451  7.730  1 U   3.3e+08        0 e 0  283  299  298 
 383  1.800 120.173  7.738  1 U  1.48e+09        0 e 0   47   27   26 
 ##384  2.274 120.173  7.738  1 U  1.22e+08        0 e 0   35   27   26 
 385  0.796 120.005  7.916  1 U  2.72e+09        0 e 0   75   74   73 
 386  4.275 120.005  7.873  1 U  6.07e+09        0 e 0  247  252  251 
 387  0.813 119.410  7.729  1 U  1.99e+08        0 e 0   90   95   94 
 388  4.749 120.996  8.413  1 U  9.94e+08        0 e 0    3   16   15 
 389  4.610 119.410  7.799  1 U  3.62e+09        0 e 0   20   22   21 
 390  0.922 118.647  7.936  1 U  4.88e+07        0 e 0   29   45   44 
 391  8.376 118.647  7.927  1 U   1.8e+08        0 e 0   52   45   44 
 392  0.791 117.946  8.093  1 U  9.94e+08        0 e 0   75   67   66 
 393  1.615 117.204  7.949  1 U  2.59e+07        0 e 0   48   40   39 
 #394  4.732 120.005  8.155  1 U  7.38e+08        0 e 0  157  168  167 
 395  1.382 120.072  7.920  1 U  1.66e+08        0 e 0   83   74   73 
 396  0.817 119.909  7.922  1 U  2.25e+09        0 e 0  301  293  292 
 397  2.216 119.293  7.793  1 U  2.78e+08        0 e 0  197  196  195 
 398  1.794 119.293  7.797  1 U  4.03e+08        0 e 0  194  196  195 
 399  1.533 119.293  7.788  1 U  3.15e+08        0 e 0  169  196  195 
 400  8.009 119.293  7.788  1 U  3.51e+08        0 e 0  207  196  195 
 401  2.719 121.075  7.776  1 U  5.03e+08        0 e 0  270  277  276 
 402  1.427 118.536  8.493  1 U  3.97e+08        0 e 0  260  259  258 
 403  3.354 118.536  8.480  1 U  2.35e+09        0 e 0  254  259  258 
 404  1.658 116.451  7.734  1 U  1.69e+09        0 e 0  279  299  298 
 ##405  0.935 121.040  7.940  1 U  5.18e+09        0 e 0  242  233  232 
 406  0.953 120.029  7.859  1 U  2.57e+08        0 e 0  242  252  251 
 407  4.343 118.249 10.523  1 U   7.1e+08        0 e 0  219  209  206 
 408  1.385 118.249 10.523  1 U  1.88e+08        0 e 0  260  253  250 
 409  1.638 118.249 10.531  1 U  1.07e+08        0 e 0  260  253  250 
 410  0.977 118.249 10.523  1 U  4.62e+08        0 e 0  261  253  250 
 ##411  1.090 118.249 10.488  1 U  1.19e+08        0 e 0  241  253  250 
 ##412 10.475 119.327 10.461  1 U  4.44e+09        0 e 0  206  234  231 
 413  2.483 117.025  8.821  1 U  2.31e+08        0 e 0    5   11   10 
 414  2.431 120.996  8.404  1 U  1.35e+09        0 e 0    5   16   15 
 415  8.337 120.996  7.943  1 U  2.95e+08        0 e 0   33   16   15 
 #416 10.355 119.308  7.731  1 U  7.92e+08        0 e 0  231  234  232 
 417  8.468 119.308  7.783  1 U  2.57e+08        0 e 0   10   22   21 
 418  1.483 120.173  7.734  1 U  2.34e+08        0 e 0   48   27   26 
 ##419  1.983 117.845  8.336  1 U  1.16e+09        0 e 0   46   34   33 
 420  4.014 117.204  7.932  1 U  7.06e+08        0 e 0   25   40   39 
 421  2.283 118.490  8.367  1 U   7.8e+08        0 e 0   35   53   52 
 422  1.800 118.490  8.372  1 U  8.11e+08        0 e 0   47   53   52 
 423  1.518 118.490  8.372  1 U  1.83e+08        0 e 0   76   53   52 
 424  0.896 118.490  8.372  1 U  9.46e+09        0 e 0   29   53   52 
 425  7.063 117.710  8.201  1 U  3.35e+08        0 e 0   63   61   60 
 426  7.881 117.946  8.089  1 U  3.62e+08        0 e 0   80   67   66 
 427  1.500 120.132  7.923  1 U   2.3e+09        0 e 0   76   88   87 
 428  2.161 119.410  7.729  1 U  1.62e+08        0 e 0  115   95   94 
 429  1.496 119.410  7.716  1 U  1.49e+08        0 e 0   76   95   94 
 430  1.561 119.410  7.786  1 U   1.9e+08        0 e 0   48   22   21 
 ##431  2.109 120.005  8.007  1 U  3.51e+08        0 e 0  109  101  100 
 ##432  2.818 117.408  8.219  1 U  6.49e+07        0 e 0  121  114  113 
 433  3.188 117.408  8.202  1 U  1.61e+08        0 e 0   62   61   60 
 434  2.931 118.270  8.236  1 U  2.56e+08        0 e 0  125  128  127 
 435  2.701 118.270  8.236  1 U   1.6e+08        0 e 0  126  128  127 
 436  4.745 121.047  8.408  1 U  6.39e+09        0 e 0  124  142  141 
 437  2.201 120.634  8.322  1 U  1.53e+09        0 e 0  132  145  144 
 438  8.207 120.634  8.313  1 U  1.89e+08        0 e 0  127  145  144 
 439  1.835 120.072  8.134  1 U  1.66e+09        0 e 0  152  151  150 
 440  1.335 120.072  8.151  1 U  7.54e+08        0 e 0  153  151  150 
 ##441  2.431 120.072  8.168  1 U  3.33e+08        0 e 0  174  168  167 
 442  8.150 121.698  8.412  1 U  1.92e+08        0 e 0  182  177  176 
 443  8.572 121.698  8.412  1 U   2.9e+08        0 e 0  161  177  176 
 444  2.309 118.241  8.160  1 U  1.63e+10        0 e 0  174  183  182 
 445  0.891 118.241  8.169  1 U  3.81e+09        0 e 0  170  183  182 
 446  2.166 119.909  7.865  1 U  2.71e+08        0 e 0  197  188  187 
 ##447  1.487 119.909  7.926  1 U  4.17e+09        0 e 0  260  293  292 
 448  8.524 119.909  7.865  1 U   1.8e+08        0 e 0  176  188  187 
 449  7.611 119.293  7.788  1 U  3.88e+08        0 e 0  201  196  195 
 450  8.198 119.396  8.417  1 U  2.72e+08        0 e 0  222  215  214 
 451  7.263 121.040  7.940  1 U  1.41e+09        0 e 0  235  233  232 
 ##452  3.379 118.517  8.273  1 U  1.78e+08        0 e 0  254  240  239 
 453  3.279 120.029  7.864  1 U  1.39e+09        0 e 0  230  252  251 
 454  3.558 120.029  7.855  1 U  1.16e+09        0 e 0  229  252  251 
 ##455  2.753 120.029  7.868  1 U   1.2e+09        0 e 0  269  252  251 
 456  2.131 120.029  7.864  1 U   2.1e+08        0 e 0  238  252  251 
 ##457  7.968 118.536  8.480  1 U   3.3e+08        0 e 0  284  259  258 
 458  8.337 118.536  8.480  1 U  3.77e+08        0 e 0  239  259  258 
 459  7.111 118.536  8.359  1 U  6.52e+08        0 e 0   55   53   52 
 ##460  0.922 116.736  7.577  1 U  7.65e+09        0 e 0  278  272  271 
 ##461  4.236 119.481  7.932  1 U  1.27e+10        0 e 0  289  285  284 
 462  7.750 119.481  7.936  1 U  3.65e+08        0 e 0  298  285  284
;

   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-aliphatic   2   .   14   ppm   .   .   .   4.76   .   .   34239   1
      2   .   .   N   15   N             3   .   36   ppm   .   .   .   116    .   .   34239   1
      3   .   .   H   1    HN            2   .   14   ppm   .   .   .   4.76   .   .   34239   1
   stop_
save_