Content for NMR-STAR saveframe, "spectral_peak_list_4"

    save_spectral_peak_list_4
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_4
   _Spectral_peak_list.Entry_ID                         30493
   _Spectral_peak_list.ID                               4
   _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                    13
   _Spectral_peak_list.Experiment_name                  '3D 1H-13C NOESY aromatic'
   _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                          'Analysis; Chemical shift assignment.'
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
# Number of dimensions 3
#INAME 1 15N
#INAME 2 H1
#INAME 3 1H
   2 124.200   8.357   8.873 1 U         -1.107e+04  0.00e+00 m   0   34   20   35 0
   3 124.200   4.409   8.873 1 U         -1.580e+05  0.00e+00 m   0   34   22   35 0
   4 124.781   8.873   8.633 1 U         -3.527e+04  0.00e+00 m   0   49   35   50 0
   5 124.781   4.461   8.633 1 U         -1.100e+05  0.00e+00 m   0   49   37   50 0
   6 124.781   2.159   8.633 1 U         -4.930e+04  0.00e+00 m   0   49   39   50 0
   7 124.781   2.054   8.633 1 U         -2.936e+04  0.00e+00 m   0   49   40   50 0
   8 124.781   2.388   8.633 1 U         -2.918e+04  0.00e+00 m   0   49   45   50 0
  10 117.036   8.633   8.505 1 U         -2.981e+04  0.00e+00 m   0   71   50   72 0
  11 117.036   4.498   8.505 1 U         -1.828e+05  0.00e+00 m   0   71   52   72 0
  12 117.036   1.804   8.505 1 U         -3.064e+03  0.00e+00 m   0   71   54   72 0
  13 117.036   1.714   8.505 1 U         -1.904e+04  0.00e+00 m   0   71   55   72 0
  14 117.036   1.046   8.505 1 U          1.652e+03  0.00e+00 m   0   71   59   72 0
  15 117.036   0.986   8.505 1 U         -3.193e+03  0.00e+00 m   0   71   60   72 0
  16 117.036   1.759   8.505 1 U         -1.704e+04  0.00e+00 m   0   71   58   72 0
  17 111.393   8.505   8.573 1 U         -2.423e+04  0.00e+00 m   0   81   72   82 0
  18 111.393   4.524   8.573 1 U         -5.431e+04  0.00e+00 m   0   81   74   82 0
  19 111.393   4.021   8.573 1 U         -4.756e+04  0.00e+00 m   0   81   76   82 0
  20 111.393   3.993   8.573 1 U         -4.326e+04  0.00e+00 m   0   81   77   82 0
  21 122.737   8.573   8.149 1 U         -2.050e+04  0.00e+00 m   0   88   82   89 0
  22 122.737   4.139   8.149 1 U         -1.340e+05  0.00e+00 m   0   88   84   89 0
  23 122.737   4.031   8.149 1 U         -1.697e+05  0.00e+00 m   0   88   85   89 0
  24 123.567   4.577   8.685 1 U         -2.411e+05  0.00e+00 m   0  129  116  130 0
  25 123.567   2.399   8.685 1 U         -7.790e+04  0.00e+00 m   0  129  118  130 0
  26 123.567   1.982   8.685 1 U         -7.199e+04  0.00e+00 m   0  129  119  130 0
  27 123.567   3.980   8.685 1 U         -1.966e+04  0.00e+00 m   0  129  125  130 0
  28 123.567   3.761   8.685 1 U         -1.123e+04  0.00e+00 m   0  129  126  130 0
  29 123.567   2.133   8.685 1 U         -2.227e+04  0.00e+00 m   0  129  122  130 0
  30 123.567   2.077   8.685 1 U         -3.240e+04  0.00e+00 m   0  129  123  130 0
  31 120.486   8.685   9.165 1 U         -1.891e+04  0.00e+00 m   0  151  130  152 0
  32 120.486   4.627   9.165 1 U         -1.327e+05  0.00e+00 m   0  151  132  152 0
  33 120.486   1.668   9.165 1 U         -4.139e+04  0.00e+00 m   0  151  136  152 0
  35 120.486   0.937   9.165 1 U         -7.472e+04  0.00e+00 m   0  151  139  152 0
  36 120.486   0.951   9.165 1 U         -7.472e+04  0.00e+00 m   0  151  140  152 0
  37 120.486   1.854   9.165 1 U         -2.195e+04  0.00e+00 m   0  151  138  152 0
  38 123.130   9.165   9.116 1 U         -1.593e+04  0.00e+00 m   0  161  152  162 0
  39 123.130   4.608   9.116 1 U         -3.427e+04  0.00e+00 m   0  161  154  162 0
  40 123.130   4.527   9.116 1 U         -2.156e+04  0.00e+00 m   0  161  156  162 0
  41 123.130   4.201   9.116 1 U         -2.783e+04  0.00e+00 m   0  161  157  162 0
  42 120.917   9.116   8.779 1 U         -2.314e+04  0.00e+00 m   0  184  162  185 0
  43 120.917   4.218   8.779 1 U         -4.538e+04  0.00e+00 m   0  184  164  185 0
  44 120.917   3.370   8.779 1 U         -3.531e+04  0.00e+00 m   0  184  166  185 0
  45 120.917   3.176   8.779 1 U         -5.315e+04  0.00e+00 m   0  184  167  185 0
  46 119.527   8.779   8.046 1 U         -3.272e+04  0.00e+00 m   0  194  185  195 0
  47 119.527   4.139   8.046 1 U         -4.936e+04  0.00e+00 m   0  194  187  195 0
  48 119.527   1.583   8.046 1 U         -8.330e+04  0.00e+00 m   0  194  188  195 0
  49 121.560   8.046   8.559 1 U         -5.039e+04  0.00e+00 m   0  209  195  210 0
  50 121.560   4.091   8.559 1 U         -3.313e+04  0.00e+00 m   0  209  197  210 0
  51 121.560   2.089   8.559 1 U         -6.481e+04  0.00e+00 m   0  209  199  210 0
  52 121.560   2.500   8.559 1 U         -1.287e+04  0.00e+00 m   0  209  203  210 0
  53 121.560   2.372   8.559 1 U         -3.840e+04  0.00e+00 m   0  209  204  210 0
  54 119.171   8.559   8.306 1 U         -5.572e+04  0.00e+00 m   0  234  210  235 0
  55 119.171   3.914   8.306 1 U         -3.259e+04  0.00e+00 m   0  234  212  235 0
  56 119.171   2.028   8.306 1 U         -1.774e+05  0.00e+00 m   0  234  214  235 0
  57 119.171   1.878   8.306 1 U         -4.885e+04  0.00e+00 m   0  234  215  235 0
  58 119.171   1.763   8.306 1 U         -3.295e+04  0.00e+00 m   0  234  224  235 0
  60 119.171   3.031   8.306 1 U         -4.522e+03  0.00e+00 m   0  234  226  235 0
  61 119.171   2.952   8.306 1 U         -5.069e+03  0.00e+00 m   0  234  227  235 0
  62 119.171   1.663   8.306 1 U         -2.407e+04  0.00e+00 m   0  234  218  235 0
  63 119.171   1.307   8.306 1 U         -7.044e+03  0.00e+00 m   0  234  219  235 0
  64 120.436   8.306   7.899 1 U         -7.983e+04  0.00e+00 m   0  249  235  250 0
  65 120.436   3.978   7.899 1 U         -3.118e+04  0.00e+00 m   0  249  237  250 0
  66 120.436   2.123   7.899 1 U         -1.180e+05  0.00e+00 m   0  249  239  250 0
  67 120.436   2.040   7.899 1 U         -1.609e+05  0.00e+00 m   0  249  240  250 0
  68 120.436   1.984   7.899 1 U         -1.052e+05  0.00e+00 m   0  249  243  250 0
  69 120.436   2.168   7.899 1 U         -5.845e+04  0.00e+00 m   0  249  244  250 0
  70 121.929   7.899   8.078 1 U         -4.885e+04  0.00e+00 m   0  274  250  275 0
  71 121.929   4.230   8.078 1 U         -6.454e+04  0.00e+00 m   0  274  252  275 0
  72 121.929   2.093   8.078 1 U         -8.908e+04  0.00e+00 m   0  274  254  275 0
  73 121.929   2.022   8.078 1 U         -1.142e+05  0.00e+00 m   0  274  255  275 0
  74 121.929   1.873   8.078 1 U         -3.040e+04  0.00e+00 m   0  274  264  275 0
  76 121.929   3.072   8.078 1 U         -2.124e+03  0.00e+00 m   0  274  268  275 0
  78 121.929   1.729   8.078 1 U         -3.009e+04  0.00e+00 m   0  274  258  275 0
  79 121.929   1.611   8.078 1 U         -1.788e+04  0.00e+00 m   0  274  259  275 0
  80 120.452   8.078   8.329 1 U         -4.711e+04  0.00e+00 m   0  296  275  297 0
  81 120.452   4.250   8.329 1 U         -4.101e+04  0.00e+00 m   0  296  277  297 0
  82 120.452   2.245   8.329 1 U         -3.458e+04  0.00e+00 m   0  296  279  297 0
  83 120.452   1.842   8.329 1 U         -3.749e+04  0.00e+00 m   0  296  280  297 0
  84 120.452   1.034   8.329 1 U         -3.818e+04  0.00e+00 m   0  296  284  297 0
  85 120.452   0.942   8.329 1 U         -3.036e+04  0.00e+00 m   0  296  285  297 0
  86 120.452   2.046   8.329 1 U         -1.262e+05  0.00e+00 m   0  296  283  297 0
  87 121.852   8.329   8.284 1 U         -3.090e+05  0.00e+00 m   0  321  297  322 0
  88 121.852   3.957   8.284 1 U         -3.218e+04  0.00e+00 m   0  321  299  322 0
  89 121.852   2.043   8.284 1 U         -1.196e+05  0.00e+00 m   0  321  303  322 0
  90 121.852   1.805   8.284 1 U         -3.513e+04  0.00e+00 m   0  321  309  322 0
  91 121.852   3.046   8.284 1 U          9.300e+01  0.00e+00 m   0  321  313  322 0
  92 121.852   1.782   8.284 1 U         -4.679e+04  0.00e+00 m   0  321  305  322 0
  93 121.852   1.485   8.284 1 U         -7.235e+04  0.00e+00 m   0  321  306  322 0
  94 123.716   8.284   8.203 1 U         -8.330e+04  0.00e+00 m   0  336  322  337 0
  95 123.716   4.262   8.203 1 U         -7.599e+04  0.00e+00 m   0  336  324  337 0
  96 123.716   2.347   8.203 1 U         -6.763e+04  0.00e+00 m   0  336  326  337 0
  97 123.716   2.270   8.203 1 U         -9.782e+04  0.00e+00 m   0  336  327  337 0
  98 123.716   2.590   8.203 1 U         -1.221e+04  0.00e+00 m   0  336  330  337 0
  99 123.716   2.365   8.203 1 U         -4.776e+04  0.00e+00 m   0  336  331  337 0
 100 119.982   8.203   8.556 1 U         -4.377e+04  0.00e+00 m   0  361  337  362 0
 101 119.982   4.492   8.556 1 U         -2.574e+04  0.00e+00 m   0  361  339  362 0
 102 119.982   2.293   8.556 1 U         -2.809e+04  0.00e+00 m   0  361  341  362 0
 103 119.982   2.134   8.556 1 U         -4.525e+04  0.00e+00 m   0  361  342  362 0
 104 119.982   1.893   8.556 1 U         -6.090e+04  0.00e+00 m   0  361  349  362 0
 105 119.982   1.855   8.556 1 U         -3.708e+04  0.00e+00 m   0  361  350  362 0
 106 119.982   3.087   8.556 1 U         -7.567e+03  0.00e+00 m   0  361  355  362 0
 108 119.982   1.571   8.556 1 U         -1.804e+04  0.00e+00 m   0  361  345  362 0
 109 119.982   1.741   8.556 1 U         -6.654e+04  0.00e+00 m   0  361  346  362 0
 110 120.436   8.556   7.794 1 U         -6.117e+04  0.00e+00 m   0  383  362  384 0
 111 120.436   4.104   7.794 1 U         -2.468e+04  0.00e+00 m   0  383  364  384 0
 112 120.436   2.053   7.794 1 U         -5.872e+04  0.00e+00 m   0  383  366  384 0
 113 120.436   1.728   7.794 1 U         -2.381e+05  0.00e+00 m   0  383  367  384 0
 114 120.436   0.723   7.794 1 U         -1.996e+04  0.00e+00 m   0  383  371  384 0
 115 120.436   0.436   7.794 1 U         -1.313e+04  0.00e+00 m   0  383  372  384 0
 116 120.436   1.903   7.794 1 U         -3.081e+04  0.00e+00 m   0  383  370  384 0
 117 121.906   7.794   8.474 1 U         -4.653e+04  0.00e+00 m   0  393  384  394 0
 118 121.906   4.337   8.474 1 U         -2.732e+04  0.00e+00 m   0  393  386  394 0
 119 121.906   1.726   8.474 1 U         -8.047e+04  0.00e+00 m   0  393  387  394 0
 120 121.381   8.474   9.200 1 U         -3.831e+04  0.00e+00 m   0  416  394  417 0
 121 121.381   4.503   9.200 1 U         -2.986e+04  0.00e+00 m   0  416  396  417 0
 122 121.381   3.556   9.200 1 U         -3.304e+04  0.00e+00 m   0  416  400  417 0
 124 119.630   9.200   8.530 1 U         -3.440e+04  0.00e+00 m   0  438  417  439 0
 125 119.630   3.993   8.530 1 U         -4.210e+04  0.00e+00 m   0  438  419  439 0
 126 119.630   2.536   8.530 1 U         -1.809e+04  0.00e+00 m   0  438  421  439 0
 127 119.630   1.571   8.530 1 U         -2.436e+04  0.00e+00 m   0  438  422  439 0
 128 119.630   1.241   8.530 1 U         -1.511e+04  0.00e+00 m   0  438  426  439 0
 129 119.630   1.044   8.530 1 U         -1.468e+04  0.00e+00 m   0  438  427  439 0
 130 119.630   2.470   8.530 1 U         -1.750e+04  0.00e+00 m   0  438  425  439 0
 131 121.758   8.530   7.917 1 U         -4.955e+04  0.00e+00 m   0  463  439  464 0
 132 121.758   3.983   7.917 1 U         -2.699e+04  0.00e+00 m   0  463  441  464 0
 133 121.758   2.122   7.917 1 U         -1.931e+05  0.00e+00 m   0  463  445  464 0
 135 121.758   1.812   7.917 1 U         -3.036e+04  0.00e+00 m   0  463  453  464 0
 137 121.758   3.052   7.917 1 U         -7.740e+02  0.00e+00 m   0  463  457  464 0
 139 121.758   1.495   7.917 1 U         -1.192e+04  0.00e+00 m   0  463  447  464 0
 140 121.758   1.697   7.917 1 U         -4.499e+04  0.00e+00 m   0  463  448  464 0
 141 121.947   7.917   8.827 1 U         -4.364e+04  0.00e+00 m   0  488  464  489 0
 142 121.947   4.259   8.827 1 U         -3.827e+04  0.00e+00 m   0  488  466  489 0
 143 121.947   2.022   8.827 1 U         -4.460e+04  0.00e+00 m   0  488  468  489 0
 144 121.947   2.096   8.827 1 U         -1.019e+05  0.00e+00 m   0  488  469  489 0
 145 121.947   1.850   8.827 1 U         -4.962e+04  0.00e+00 m   0  488  478  489 0
 147 121.947   3.098   8.827 1 U         -9.839e+03  0.00e+00 m   0  488  482  489 0
 149 121.947   1.739   8.827 1 U         -1.922e+04  0.00e+00 m   0  488  472  489 0
 150 121.947   1.579   8.827 1 U         -1.666e+04  0.00e+00 m   0  488  473  489 0
 151 125.885   8.827   9.179 1 U         -2.474e+04  0.00e+00 m   0  503  489  504 0
 152 125.885   4.193   9.179 1 U         -3.077e+04  0.00e+00 m   0  503  491  504 0
 153 125.885   1.893   9.179 1 U         -3.163e+04  0.00e+00 m   0  503  495  504 0
 155 125.885   2.090   9.179 1 U         -2.770e+04  0.00e+00 m   0  503  497  504 0
 156 125.885   2.000   9.179 1 U         -1.777e+04  0.00e+00 m   0  503  498  504 0
 157 115.549   9.179   8.380 1 U         -3.927e+04  0.00e+00 m   0  526  504  527 0
 158 115.549   3.910   8.380 1 U         -2.272e+04  0.00e+00 m   0  526  506  527 0
 159 115.549   3.367   8.380 1 U         -3.018e+04  0.00e+00 m   0  526  508  527 0
 160 115.549   3.080   8.380 1 U         -2.208e+04  0.00e+00 m   0  526  509  527 0
 161 122.330   8.380   8.454 1 U         -6.272e+04  0.00e+00 m   0  536  527  537 0
 162 122.330   4.230   8.454 1 U         -1.511e+05  0.00e+00 m   0  536  529  537 0
 163 119.674   8.454   8.127 1 U         -3.486e+04  0.00e+00 m   0  562  537  563 0
 164 119.674   4.221   8.127 1 U         -6.499e+04  0.00e+00 m   0  562  539  563 0
 165 119.674   2.038   8.127 1 U         -3.508e+04  0.00e+00 m   0  562  541  563 0
 166 119.674   1.971   8.127 1 U         -3.586e+04  0.00e+00 m   0  562  542  563 0
 167 119.674   3.312   8.127 1 U         -4.306e+03  0.00e+00 m   0  562  551  563 0
 169 119.674   1.891   8.127 1 U         -2.362e+04  0.00e+00 m   0  562  545  563 0
 170 119.674   1.745   8.127 1 U         -1.734e+04  0.00e+00 m   0  562  546  563 0
 171 123.831   8.127   8.691 1 U         -2.877e+04  0.00e+00 m   0  575  563  576 0
 172 123.831   3.878   8.691 1 U         -1.226e+04  0.00e+00 m   0  575  565  576 0
 173 120.337   8.691   8.021 1 U         -5.380e+04  0.00e+00 m   0  597  576  598 0
 174 120.337   3.952   8.021 1 U         -2.574e+04  0.00e+00 m   0  597  578  598 0
 175 120.337   1.776   8.021 1 U         -4.750e+04  0.00e+00 m   0  597  580  598 0
 176 120.337   1.341   8.021 1 U         -2.735e+04  0.00e+00 m   0  597  581  598 0
 177 120.337   0.936   8.021 1 U         -3.786e+04  0.00e+00 m   0  597  585  598 0
 178 120.337   0.989   8.021 1 U         -3.200e+04  0.00e+00 m   0  597  586  598 0
 179 120.337   1.524   8.021 1 U         -2.757e+04  0.00e+00 m   0  597  584  598 0
 180 118.698   8.021   7.657 1 U         -7.553e+04  0.00e+00 m   0  607  598  608 0
 181 118.698   4.282   7.657 1 U         -3.868e+04  0.00e+00 m   0  607  600  608 0
 182 118.698   1.610   7.657 1 U         -8.150e+04  0.00e+00 m   0  607  601  608 0
 183 120.860   7.657   7.909 1 U         -4.403e+04  0.00e+00 m   0  633  608  634 0
 184 120.860   4.194   7.909 1 U         -5.863e+04  0.00e+00 m   0  633  610  634 0
 185 120.860   2.121   7.909 1 U         -7.017e+04  0.00e+00 m   0  633  614  634 0
 187 120.860   3.303   7.909 1 U         -2.622e+03  0.00e+00 m   0  633  620  634 0
 188 120.860   3.388   7.909 1 U         -5.093e+03  0.00e+00 m   0  633  621  634 0
 189 120.860   1.980   7.909 1 U         -5.672e+04  0.00e+00 m   0  633  616  634 0
 190 120.860   1.801   7.909 1 U         -7.644e+04  0.00e+00 m   0  633  617  634 0
 191 119.011   7.909   8.622 1 U         -4.563e+04  0.00e+00 m   0  655  634  656 0
 192 119.011   4.148   8.622 1 U         -2.945e+04  0.00e+00 m   0  655  636  656 0
 193 119.011   1.934   8.622 1 U         -3.845e+04  0.00e+00 m   0  655  638  656 0
 194 119.011   1.811   8.622 1 U         -3.372e+04  0.00e+00 m   0  655  639  656 0
 195 119.011   0.986   8.622 1 U         -3.695e+04  0.00e+00 m   0  655  643  656 0
 196 119.011   0.985   8.622 1 U         -3.695e+04  0.00e+00 m   0  655  644  656 0
 197 119.011   1.716   8.622 1 U         -2.282e+04  0.00e+00 m   0  655  642  656 0
 198 120.475   8.622   8.210 1 U         -4.840e+04  0.00e+00 m   0  673  656  674 0
 199 120.475   4.235   8.210 1 U         -1.240e+05  0.00e+00 m   0  673  658  674 0
 200 120.475   2.281   8.210 1 U         -3.768e+04  0.00e+00 m   0  673  660  674 0
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 501 119.982   1.903   8.556 1 U         -6.090e+04  0.00e+00 m   0  361  370  362 0
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 555 122.330   1.745   8.454 1 U         -4.287e+04  0.00e+00 m   0  536  546  537 0
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 619 121.725   1.771   8.256 1 U         -2.854e+04  0.00e+00 m   0  734  744  735 0
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 622 124.078   1.538   8.223 1 U         -1.738e+05  0.00e+00 m   0  760  764  761 0
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 627 120.340   2.530   8.158 1 U         -5.745e+04  0.00e+00 m   0  770  779  771 0
 628 120.340   2.420   8.158 1 U         -4.737e+04  0.00e+00 m   0  770  780  771 0
 629 122.426   8.322   8.322 1 U         -4.836e+05  0.00e+00 m   0  785  786  786 0
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 631 122.426   1.929   8.322 1 U         -1.220e+05  0.00e+00 m   0  785  790  786 0
 632 122.426   1.987   8.322 1 U         -1.118e+05  0.00e+00 m   0  785  791  786 0
 633 122.426   1.826   8.322 1 U         -1.909e+04  0.00e+00 m   0  785  800  786 0
 635 122.426   3.112   8.322 1 U         -3.880e+03  0.00e+00 m   0  785  804  786 0
 637 122.426   1.609   8.322 1 U         -5.084e+04  0.00e+00 m   0  785  794  786 0
 638 122.426   1.608   8.322 1 U         -5.084e+04  0.00e+00 m   0  785  795  786 0
 639 125.553   8.391   8.391 1 U         -8.556e+05  0.00e+00 m   0  810  811  811 0
 640 125.553   4.399   8.391 1 U         -3.574e+05  0.00e+00 m   0  810  813  811 0
 641 125.553   1.544   8.391 1 U         -3.409e+05  0.00e+00 m   0  810  814  811 0
 642 121.367   8.447   8.447 1 U         -4.799e+05  0.00e+00 m   0  820  821  821 0
 643 121.367   4.373   8.447 1 U         -1.066e+05  0.00e+00 m   0  820  823  821 0
 644 121.367   1.944   8.447 1 U         -9.242e+04  0.00e+00 m   0  820  827  821 0
 646 121.367   1.811   8.447 1 U         -3.976e+03  0.00e+00 m   0  820  835  821 0
 648 121.367   3.123   8.447 1 U         -7.770e+02  0.00e+00 m   0  820  839  821 0
 650 121.367   1.550   8.447 1 U         -7.163e+04  0.00e+00 m   0  820  831  821 0
 652 119.609   8.546   8.546 1 U         -1.473e+05  0.00e+00 m   0  845  846  846 0
 653 119.609   4.850   8.546 1 U         -1.507e+04  0.00e+00 m   0  845  848  846 0
 654 119.609   3.005   8.546 1 U         -7.737e+03  0.00e+00 m   0  845  850  846 0
 655 119.609   2.935   8.546 1 U         -5.126e+03  0.00e+00 m   0  845  851  846 0
 656 119.609   7.810   8.546 1 U         -1.636e+04  0.00e+00 m   0  845  855  846 0
 657 119.609   7.124   8.546 1 U         -8.362e+03  0.00e+00 m   0  845  856  846 0
 658 117.199   8.389   8.389 1 U         -1.096e+04  0.00e+00 m   0  859  860  860 0
 659 117.199   4.538   8.389 1 U         -2.598e+03  0.00e+00 m   0  859  862  860 0
 660 117.199   4.038   8.389 1 U         -1.418e+04  0.00e+00 m   0  859  866  860 0
 662 123.867   8.498   8.498 1 U         -5.206e+04  0.00e+00 m   0  869  870  870 0
 663 123.867   4.436   8.498 1 U         -3.345e+04  0.00e+00 m   0  869  872  870 0
 664 123.867   1.977   8.498 1 U         -1.466e+04  0.00e+00 m   0  869  874  870 0
 665 123.867   1.857   8.498 1 U         -4.465e+03  0.00e+00 m   0  869  875  870 0
 666 123.867   1.812   8.498 1 U          6.210e+03  0.00e+00 m   0  869  884  870 0
 668 123.867   3.123   8.498 1 U         -1.729e+03  0.00e+00 m   0  869  888  870 0
 670 123.867   1.581   8.498 1 U         -1.131e+04  0.00e+00 m   0  869  880  870 0
 672 123.149   8.383   8.383 1 U         -9.715e+05  0.00e+00 m   0  894  895  895 0
 673 123.149   4.402   8.383 1 U         -2.821e+05  0.00e+00 m   0  894  897  895 0
 674 123.149   1.871   8.383 1 U         -1.271e+05  0.00e+00 m   0  894  899  895 0
 675 123.149   1.929   8.383 1 U         -8.857e+04  0.00e+00 m   0  894  900  895 0
 676 123.149   1.811   8.383 1 U         -9.101e+04  0.00e+00 m   0  894  909  895 0
 678 123.149   3.124   8.383 1 U         -2.360e+03  0.00e+00 m   0  894  913  895 0
 680 123.149   1.565   8.383 1 U         -6.126e+04  0.00e+00 m   0  894  905  895 0
 682 126.568   8.515   8.515 1 U         -1.275e+06  0.00e+00 m   0  919  920  920 0
 683 126.568   4.420   8.515 1 U         -3.872e+05  0.00e+00 m   0  919  922  920 0
 684 126.568   1.515   8.515 1 U         -2.865e+05  0.00e+00 m   0  919  923  920 0
 685 120.799   8.262   8.262 1 U          2.065e+06  0.00e+00 m   0  929  930  930 0
 686 120.799   4.203   8.262 1 U         -1.542e+05  0.00e+00 m   0  929  932  930 0
 687 120.799   1.949   8.262 1 U         -3.316e+05  0.00e+00 m   0  929  934  930 0
 688 120.799   0.978   8.262 1 U         -8.651e+04  0.00e+00 m   0  929  944  930 0
 689 120.799   1.592   8.262 1 U         -1.108e+05  0.00e+00 m   0  929  941  930 0
 690 120.799   1.302   8.262 1 U         -1.053e+05  0.00e+00 m   0  929  942  930 0
 691 120.799   1.004   8.262 1 U         -1.460e+05  0.00e+00 m   0  929  935  930 0
 692 125.334   8.660   8.660 1 U          2.419e+06  0.00e+00 m   0  950  951  951 0
 693 125.334   4.417   8.660 1 U         -1.913e+05  0.00e+00 m   0  950  953  951 0
 694 125.334   2.173   8.660 1 U         -1.256e+05  0.00e+00 m   0  950  955  951 0
 695 125.334   2.060   8.660 1 U         -2.276e+05  0.00e+00 m   0  950  956  951 0
 696 122.576   8.472   8.472 1 U         -2.875e+06  0.00e+00 m   0  965  966  966 0
 697 122.576   4.705   8.472 1 U         -1.707e+05  0.00e+00 m   0  965  968  966 0
 698 122.576   2.798   8.472 1 U         -3.010e+05  0.00e+00 m   0  965  972  966 0
 699 109.757   8.469   8.469 1 U         -2.391e+06  0.00e+00 m   0  976  977  977 0
 700 109.757   4.057   8.469 1 U         -4.792e+05  0.00e+00 m   0  976  981  977 0
 702 121.904   8.111   8.111 1 U          2.592e+06  0.00e+00 m   0  983  984  984 0
 703 121.904   4.504   8.111 1 U         -1.122e+05  0.00e+00 m   0  983  986  984 0
 704 121.904   2.174   8.111 1 U         -2.226e+05  0.00e+00 m   0  983  988  984 0
 705 121.904   1.071   8.111 1 U         -9.101e+04  0.00e+00 m   0  983  989  984 0
 706 121.904   1.021   8.111 1 U         -2.443e+05  0.00e+00 m   0  983  990  984 0
 707 122.484   8.675   8.675 1 U          2.629e+06  0.00e+00 m   0 1017 1018 1018 0
 708 122.484   4.710   8.675 1 U         -1.560e+05  0.00e+00 m   0 1017 1020 1018 0
 709 122.484   2.250   8.675 1 U         -1.178e+05  0.00e+00 m   0 1017 1022 1018 0
 710 122.484   2.013   8.675 1 U         -2.221e+05  0.00e+00 m   0 1017 1023 1018 0
 711 122.484   7.746   8.675 1 U         -1.147e+04  0.00e+00 m   0 1017 1031 1018 0
 712 122.484   7.055   8.675 1 U         -6.829e+03  0.00e+00 m   0 1017 1032 1018 0
 713 122.484   2.548   8.675 1 U         -1.666e+05  0.00e+00 m   0 1017 1028 1018 0
 715 121.689   8.758   8.758 1 U         -2.715e+06  0.00e+00 m   0 1051 1052 1052 0
 716 121.689   4.334   8.758 1 U         -1.661e+05  0.00e+00 m   0 1051 1054 1052 0
 717 121.689   2.148   8.758 1 U         -1.648e+05  0.00e+00 m   0 1051 1056 1052 0
 718 121.689   2.052   8.758 1 U         -2.469e+05  0.00e+00 m   0 1051 1057 1052 0
 719 121.689   2.392   8.758 1 U         -1.843e+05  0.00e+00 m   0 1051 1062 1052 0
 721 125.534   8.425   8.425 1 U         -1.859e+06  0.00e+00 m   0 1066 1067 1067 0
 722 125.534   4.403   8.425 1 U         -1.405e+05  0.00e+00 m   0 1066 1069 1067 0
 723 125.534   1.490   8.425 1 U         -3.630e+05  0.00e+00 m   0 1066 1070 1067 0
 724 121.961   8.268   8.268 1 U         -2.826e+06  0.00e+00 m   0 1076 1077 1077 0
 725 121.961   4.203   8.268 1 U         -1.888e+04  0.00e+00 m   0 1076 1079 1077 0
 726 121.961   1.470   8.268 1 U         -3.769e+05  0.00e+00 m   0 1076 1081 1077 0
 727 121.961   1.540   8.268 1 U         -1.540e+05  0.00e+00 m   0 1076 1082 1077 0
 728 121.961   0.896   8.268 1 U          1.068e+03  0.00e+00 m   0 1076 1086 1077 0
 729 121.961   0.817   8.268 1 U         -1.863e+04  0.00e+00 m   0 1076 1087 1077 0
 730 121.961   1.514   8.268 1 U         -3.167e+05  0.00e+00 m   0 1076 1085 1077 0
 731 120.606   8.873   8.357 1 U         -4.402e+03  0.00e+00 m   0   19   35   20 0
 732 124.200   8.633   8.873 1 U         -2.346e+04  0.00e+00 m   0   34   50   35 0
 733 124.781   8.505   8.633 1 U         -4.409e+04  0.00e+00 m   0   49   72   50 0
 734 117.036   8.573   8.505 1 U         -4.178e+04  0.00e+00 m   0   71   82   72 0
 735 111.393   8.149   8.573 1 U         -1.675e+04  0.00e+00 m   0   81   89   82 0
 736 123.567   9.165   8.685 1 U         -1.856e+04  0.00e+00 m   0  129  152  130 0
 737 120.486   9.116   9.165 1 U         -6.217e+04  0.00e+00 m   0  151  162  152 0
 738 123.130   8.779   9.116 1 U         -1.688e+04  0.00e+00 m   0  161  185  162 0
 739 120.917   8.046   8.779 1 U         -4.146e+04  0.00e+00 m   0  184  195  185 0
 740 119.527   8.559   8.046 1 U         -5.084e+04  0.00e+00 m   0  194  210  195 0
 741 121.560   8.306   8.559 1 U         -5.431e+04  0.00e+00 m   0  209  235  210 0
 742 119.171   7.899   8.306 1 U         -6.572e+04  0.00e+00 m   0  234  250  235 0
 743 120.436   8.078   7.899 1 U         -6.872e+04  0.00e+00 m   0  249  275  250 0
 744 121.929   8.329   8.078 1 U         -6.381e+04  0.00e+00 m   0  274  297  275 0
 745 120.452   8.284   8.329 1 U         -2.432e+05  0.00e+00 m   0  296  322  297 0
 746 121.852   8.203   8.284 1 U         -2.193e+05  0.00e+00 m   0  321  337  322 0
 747 123.716   8.556   8.203 1 U         -4.255e+04  0.00e+00 m   0  336  362  337 0
 748 119.982   7.794   8.556 1 U         -3.786e+04  0.00e+00 m   0  361  384  362 0
 749 120.436   8.474   7.794 1 U         -6.799e+04  0.00e+00 m   0  383  394  384 0
 750 121.906   9.200   8.474 1 U         -3.363e+04  0.00e+00 m   0  393  417  394 0
 751 121.381   8.530   9.200 1 U         -2.793e+04  0.00e+00 m   0  416  439  417 0
 752 119.630   7.917   8.530 1 U         -4.628e+04  0.00e+00 m   0  438  464  439 0
 753 121.758   8.827   7.917 1 U         -5.264e+04  0.00e+00 m   0  463  489  464 0
 754 121.947   9.179   8.827 1 U         -3.372e+04  0.00e+00 m   0  488  504  489 0
 755 125.885   8.380   9.179 1 U         -3.213e+04  0.00e+00 m   0  503  527  504 0
 756 115.549   8.454   8.380 1 U         -5.444e+04  0.00e+00 m   0  526  537  527 0
 757 122.330   8.127   8.454 1 U         -2.741e+04  0.00e+00 m   0  536  563  537 0
 758 119.674   8.691   8.127 1 U         -3.745e+04  0.00e+00 m   0  562  576  563 0
 759 123.831   8.021   8.691 1 U         -3.000e+04  0.00e+00 m   0  575  598  576 0
 760 120.337   7.657   8.021 1 U         -5.116e+04  0.00e+00 m   0  597  608  598 0
 761 118.698   7.909   7.657 1 U         -5.367e+04  0.00e+00 m   0  607  634  608 0
 762 120.860   8.622   7.909 1 U         -4.178e+04  0.00e+00 m   0  633  656  634 0
 763 119.011   8.210   8.622 1 U         -4.814e+04  0.00e+00 m   0  655  674  656 0
 764 120.475   7.965   8.210 1 U         -6.063e+04  0.00e+00 m   0  673  700  674 0
 765 123.306   8.211   7.965 1 U         -1.431e+05  0.00e+00 m   0  699  710  700 0
 766 120.730   8.256   8.211 1 U         -2.890e+05  0.00e+00 m   0  709  735  710 0
 767 121.725   8.223   8.256 1 U         -2.294e+05  0.00e+00 m   0  734  761  735 0
 768 124.078   8.158   8.223 1 U         -1.165e+05  0.00e+00 m   0  760  771  761 0
 769 120.340   8.322   8.158 1 U         -5.161e+04  0.00e+00 m   0  770  786  771 0
 770 122.426   8.391   8.322 1 U         -1.293e+05  0.00e+00 m   0  785  811  786 0
 771 125.553   8.447   8.391 1 U         -4.705e+05  0.00e+00 m   0  810  821  811 0
 772 121.367   8.546   8.447 1 U         -1.768e+04  0.00e+00 m   0  820  846  821 0
 773 119.609   8.389   8.546 1 U         -1.754e+04  0.00e+00 m   0  845  860  846 0
 774 117.199   8.498   8.389 1 U         -3.317e+03  0.00e+00 m   0  859  870  860 0
 775 123.867   8.383   8.498 1 U         -1.334e+04  0.00e+00 m   0  869  895  870 0
 776 123.149   8.515   8.383 1 U         -3.363e+04  0.00e+00 m   0  894  920  895 0
 777 126.568   8.262   8.515 1 U         -6.144e+04  0.00e+00 m   0  919  930  920 0
 778 120.799   8.660   8.262 1 U         -1.107e+05  0.00e+00 m   0  929  951  930 0
 779 125.334   8.472   8.660 1 U         -5.155e+04  0.00e+00 m   0  950  966  951 0
 780 122.576   8.469   8.472 1 U         -2.875e+06  0.00e+00 m   0  965  977  966 0
 781 109.757   8.111   8.469 1 U         -1.285e+05  0.00e+00 m   0  976  984  977 0
 782 121.689   8.425   8.758 1 U         -7.172e+04  0.00e+00 m   0 1051 1067 1052 0
 783 125.534   8.268   8.425 1 U         -6.299e+04  0.00e+00 m   0 1066 1077 1067 0
 784 121.961   8.417   8.268 1 U         -1.694e+05  0.00e+00 m   0 1076 1099 1077 0
 785 123.130   8.046   9.116 3 U         -7.567e+03  0.00e+00 m   0  161  195  162 0
 786 120.917   8.559   8.779 3 U         -1.112e+04  0.00e+00 m   0  184  210  185 0
 787 119.527   4.218   8.046 3 U         -2.877e+04  0.00e+00 m   0  194  164  195 0
 788 119.527   9.116   8.046 3 U         -1.162e+04  0.00e+00 m   0  194  162  195 0
 789 119.527   8.306   8.046 3 U         -1.775e+04  0.00e+00 m   0  194  235  195 0
 790 121.560   4.139   8.559 3 U         -2.089e+04  0.00e+00 m   0  209  187  210 0
 791 121.560   8.779   8.559 3 U         -1.868e+04  0.00e+00 m   0  209  185  210 0
 792 121.560   4.218   8.559 3 U         -2.606e+04  0.00e+00 m   0  209  164  210 0
 793 121.560   7.899   8.559 3 U         -1.425e+04  0.00e+00 m   0  209  250  210 0
 794 119.171   4.091   8.306 3 U         -3.722e+04  0.00e+00 m   0  234  197  235 0
 795 119.171   8.046   8.306 3 U         -2.082e+04  0.00e+00 m   0  234  195  235 0
 796 119.171   4.139   8.306 3 U         -4.666e+04  0.00e+00 m   0  234  187  235 0
 797 119.171   4.218   8.306 3 U         -3.513e+04  0.00e+00 m   0  234  164  235 0
 798 119.171   8.078   8.306 3 U         -2.160e+04  0.00e+00 m   0  234  275  235 0
 799 120.436   3.914   7.899 3 U         -1.793e+04  0.00e+00 m   0  249  212  250 0
 800 120.436   8.559   7.899 3 U         -1.761e+04  0.00e+00 m   0  249  210  250 0
 802 120.436   4.139   7.899 3 U         -3.745e+04  0.00e+00 m   0  249  187  250 0
 803 120.436   8.329   7.899 3 U         -7.526e+04  0.00e+00 m   0  249  297  250 0
 804 121.929   3.978   8.078 3 U         -2.182e+04  0.00e+00 m   0  274  237  275 0
 805 121.929   8.306   8.078 3 U         -6.444e+04  0.00e+00 m   0  274  235  275 0
 806 121.929   3.914   8.078 3 U         -2.845e+04  0.00e+00 m   0  274  212  275 0
 807 121.929   4.091   8.078 3 U         -5.135e+04  0.00e+00 m   0  274  197  275 0
 808 121.929   8.284   8.078 3 U         -6.444e+04  0.00e+00 m   0  274  322  275 0
 809 120.452   4.230   8.329 3 U         -3.445e+04  0.00e+00 m   0  296  252  297 0
 810 120.452   7.899   8.329 3 U         -1.261e+04  0.00e+00 m   0  296  250  297 0
 811 120.452   3.978   8.329 3 U         -5.097e+04  0.00e+00 m   0  296  237  297 0
 812 120.452   3.914   8.329 3 U         -3.940e+04  0.00e+00 m   0  296  212  297 0
 813 120.452   8.203   8.329 3 U         -2.995e+04  0.00e+00 m   0  296  337  297 0
 814 121.852   4.250   8.284 3 U         -1.387e+05  0.00e+00 m   0  321  277  322 0
 815 121.852   8.078   8.284 3 U         -9.191e+03  0.00e+00 m   0  321  275  322 0
 816 121.852   4.230   8.284 3 U         -1.258e+05  0.00e+00 m   0  321  252  322 0
 817 121.852   3.978   8.284 3 U         -3.186e+04  0.00e+00 m   0  321  237  322 0
 818 121.852   8.556   8.284 3 U         -1.956e+04  0.00e+00 m   0  321  362  322 0
 819 123.716   3.957   8.203 3 U         -1.350e+04  0.00e+00 m   0  336  299  337 0
 820 123.716   8.329   8.203 3 U         -5.854e+04  0.00e+00 m   0  336  297  337 0
 821 123.716   4.250   8.203 3 U         -7.599e+04  0.00e+00 m   0  336  277  337 0
 822 123.716   4.230   8.203 3 U         -6.863e+04  0.00e+00 m   0  336  252  337 0
 823 123.716   7.794   8.203 3 U         -1.181e+04  0.00e+00 m   0  336  384  337 0
 824 119.982   4.262   8.556 3 U         -2.972e+04  0.00e+00 m   0  361  324  362 0
 825 119.982   8.284   8.556 3 U         -1.609e+04  0.00e+00 m   0  361  322  362 0
 826 119.982   3.957   8.556 3 U         -2.904e+04  0.00e+00 m   0  361  299  362 0
 827 119.982   4.250   8.556 3 U         -2.972e+04  0.00e+00 m   0  361  277  362 0
 828 119.982   8.474   8.556 3 U         -4.081e+04  0.00e+00 m   0  361  394  362 0
 829 120.436   4.492   7.794 3 U         -2.836e+04  0.00e+00 m   0  383  339  384 0
 830 120.436   8.203   7.794 3 U         -1.641e+04  0.00e+00 m   0  383  337  384 0
 831 120.436   4.262   7.794 3 U         -4.949e+04  0.00e+00 m   0  383  324  384 0
 832 120.436   3.957   7.794 3 U         -1.772e+04  0.00e+00 m   0  383  299  384 0
 833 120.436   9.200   7.794 3 U         -1.006e+04  0.00e+00 m   0  383  417  384 0
 834 121.906   4.104   8.474 3 U         -9.862e+03  0.00e+00 m   0  393  364  394 0
 835 121.906   8.556   8.474 3 U         -2.909e+04  0.00e+00 m   0  393  362  394 0
 836 121.906   4.492   8.474 3 U         -8.098e+04  0.00e+00 m   0  393  339  394 0
 837 121.906   4.262   8.474 3 U         -2.558e+04  0.00e+00 m   0  393  324  394 0
 838 121.906   8.530   8.474 3 U         -2.909e+04  0.00e+00 m   0  393  439  394 0
 839 121.381   4.337   9.200 3 U         -7.748e+03  0.00e+00 m   0  416  386  417 0
 840 121.381   7.794   9.200 3 U         -7.123e+03  0.00e+00 m   0  416  384  417 0
 841 121.381   4.104   9.200 3 U         -1.625e+04  0.00e+00 m   0  416  364  417 0
 842 121.381   4.492   9.200 3 U         -2.986e+04  0.00e+00 m   0  416  339  417 0
 843 121.381   7.917   9.200 3 U         -8.873e+03  0.00e+00 m   0  416  464  417 0
 844 119.630   4.503   8.530 3 U         -1.613e+04  0.00e+00 m   0  438  396  439 0
 845 119.630   8.474   8.530 3 U         -4.493e+04  0.00e+00 m   0  438  394  439 0
 846 119.630   4.337   8.530 3 U         -5.129e+04  0.00e+00 m   0  438  386  439 0
 847 119.630   4.104   8.530 3 U         -1.809e+04  0.00e+00 m   0  438  364  439 0
 848 119.630   8.827   8.530 3 U         -1.234e+04  0.00e+00 m   0  438  489  439 0
 849 121.758   3.993   7.917 3 U         -2.147e+04  0.00e+00 m   0  463  419  464 0
 850 121.758   9.200   7.917 3 U         -1.695e+04  0.00e+00 m   0  463  417  464 0
 851 121.758   4.503   7.917 3 U         -2.066e+04  0.00e+00 m   0  463  396  464 0
 852 121.758   4.337   7.917 3 U         -2.278e+04  0.00e+00 m   0  463  386  464 0
 853 121.758   9.179   7.917 3 U         -1.395e+04  0.00e+00 m   0  463  504  464 0
 854 121.947   3.983   8.827 3 U         -2.105e+04  0.00e+00 m   0  488  441  489 0
 855 121.947   8.530   8.827 3 U         -1.194e+04  0.00e+00 m   0  488  439  489 0
 856 121.947   3.993   8.827 3 U         -2.070e+04  0.00e+00 m   0  488  419  489 0
 857 121.947   4.503   8.827 3 U         -7.089e+03  0.00e+00 m   0  488  396  489 0
 858 121.947   8.380   8.827 3 U         -1.813e+04  0.00e+00 m   0  488  527  489 0
 859 125.885   4.259   9.179 3 U         -2.603e+04  0.00e+00 m   0  503  466  504 0
 860 125.885   7.917   9.179 3 U         -9.703e+03  0.00e+00 m   0  503  464  504 0
 861 125.885   3.983   9.179 3 U         -3.150e+04  0.00e+00 m   0  503  441  504 0
 862 125.885   3.993   9.179 3 U         -2.372e+04  0.00e+00 m   0  503  419  504 0
 863 125.885   8.454   9.179 3 U         -3.259e+04  0.00e+00 m   0  503  537  504 0
 864 115.549   4.193   8.380 3 U         -1.289e+05  0.00e+00 m   0  526  491  527 0
 865 115.549   8.827   8.380 3 U         -7.760e+03  0.00e+00 m   0  526  489  527 0
 866 115.549   4.259   8.380 3 U         -1.143e+05  0.00e+00 m   0  526  466  527 0
 867 115.549   3.983   8.380 3 U         -2.642e+04  0.00e+00 m   0  526  441  527 0
 868 115.549   8.127   8.380 3 U         -6.307e+03  0.00e+00 m   0  526  563  527 0
 869 122.330   3.910   8.454 3 U         -1.927e+04  0.00e+00 m   0  536  506  537 0
 870 122.330   9.179   8.454 3 U         -5.232e+04  0.00e+00 m   0  536  504  537 0
 871 122.330   4.193   8.454 3 U         -1.402e+05  0.00e+00 m   0  536  491  537 0
 872 122.330   4.259   8.454 3 U         -1.118e+05  0.00e+00 m   0  536  466  537 0
 873 122.330   8.691   8.454 3 U         -3.636e+04  0.00e+00 m   0  536  576  537 0
 874 119.674   4.230   8.127 3 U         -6.499e+04  0.00e+00 m   0  562  529  563 0
 875 119.674   8.380   8.127 3 U         -1.046e+04  0.00e+00 m   0  562  527  563 0
 876 119.674   3.910   8.127 3 U         -2.767e+04  0.00e+00 m   0  562  506  563 0
 877 119.674   4.193   8.127 3 U         -5.663e+04  0.00e+00 m   0  562  491  563 0
 878 119.674   8.021   8.127 3 U         -2.384e+04  0.00e+00 m   0  562  598  563 0
 879 123.831   4.221   8.691 3 U         -3.991e+04  0.00e+00 m   0  575  539  576 0
 880 123.831   8.454   8.691 3 U         -6.958e+03  0.00e+00 m   0  575  537  576 0
 881 123.831   4.230   8.691 3 U         -3.991e+04  0.00e+00 m   0  575  529  576 0
 882 123.831   3.910   8.691 3 U         -3.113e+04  0.00e+00 m   0  575  506  576 0
 883 123.831   7.657   8.691 3 U         -6.427e+03  0.00e+00 m   0  575  608  576 0
 884 120.337   8.127   8.021 3 U         -3.813e+04  0.00e+00 m   0  597  563  598 0
 885 120.337   4.221   8.021 3 U         -8.574e+04  0.00e+00 m   0  597  539  598 0
 886 120.337   4.230   8.021 3 U         -8.574e+04  0.00e+00 m   0  597  529  598 0
 887 120.337   7.909   8.021 3 U         -2.523e+04  0.00e+00 m   0  597  634  598 0
 888 118.698   3.952   7.657 3 U         -9.884e+03  0.00e+00 m   0  607  578  608 0
 889 118.698   8.691   7.657 3 U         -1.532e+04  0.00e+00 m   0  607  576  608 0
 890 118.698   4.221   7.657 3 U         -6.554e+04  0.00e+00 m   0  607  539  608 0
 891 118.698   8.622   7.657 3 U         -1.452e+04  0.00e+00 m   0  607  656  608 0
 892 120.860   4.282   7.909 3 U         -3.522e+04  0.00e+00 m   0  633  600  634 0
 893 120.860   8.021   7.909 3 U         -2.868e+04  0.00e+00 m   0  633  598  634 0
 894 120.860   3.952   7.909 3 U         -2.900e+04  0.00e+00 m   0  633  578  634 0
 895 120.860   8.210   7.909 3 U         -5.103e+04  0.00e+00 m   0  633  674  634 0
 896 119.011   4.194   8.622 3 U         -5.754e+04  0.00e+00 m   0  655  610  656 0
 897 119.011   7.657   8.622 3 U         -6.749e+03  0.00e+00 m   0  655  608  656 0
 898 119.011   4.282   8.622 3 U         -5.103e+04  0.00e+00 m   0  655  600  656 0
 899 119.011   3.952   8.622 3 U         -1.102e+04  0.00e+00 m   0  655  578  656 0
 900 119.011   7.965   8.622 3 U         -1.882e+04  0.00e+00 m   0  655  700  656 0
 901 120.475   4.148   8.210 3 U         -2.442e+04  0.00e+00 m   0  673  636  674 0
 902 120.475   7.909   8.210 3 U         -3.836e+04  0.00e+00 m   0  673  634  674 0
 903 120.475   4.194   8.210 3 U         -8.947e+04  0.00e+00 m   0  673  610  674 0
 904 120.475   4.282   8.210 3 U         -8.124e+04  0.00e+00 m   0  673  600  674 0
 905 120.475   8.211   8.210 3 U         -4.603e+05  0.00e+00 m   0  673  710  674 0
 906 123.306   4.235   7.965 3 U         -6.844e+04  0.00e+00 m   0  699  658  700 0
 907 123.306   8.622   7.965 3 U         -1.359e+04  0.00e+00 m   0  699  656  700 0
 908 123.306   4.148   7.965 3 U         -2.102e+04  0.00e+00 m   0  699  636  700 0
 909 123.306   4.194   7.965 3 U         -5.187e+04  0.00e+00 m   0  699  610  700 0
 910 123.306   8.256   7.965 3 U         -4.158e+04  0.00e+00 m   0  699  735  700 0
 911 120.730   4.226   8.211 3 U         -1.294e+05  0.00e+00 m   0  709  676  710 0
 912 120.730   8.210   8.211 3 U         -7.044e+05  0.00e+00 m   0  709  674  710 0
 913 120.730   4.235   8.211 3 U         -1.294e+05  0.00e+00 m   0  709  658  710 0
 914 120.730   4.148   8.211 3 U         -3.040e+04  0.00e+00 m   0  709  636  710 0
 915 121.725   4.418   8.256 3 U         -7.390e+04  0.00e+00 m   0  734  702  735 0
 916 121.725   7.965   8.256 3 U         -6.990e+03  0.00e+00 m   0  734  700  735 0
 917 121.725   4.226   8.256 3 U         -1.525e+04  0.00e+00 m   0  734  676  735 0
 918 121.725   4.235   8.256 3 U         -1.525e+04  0.00e+00 m   0  734  658  735 0
 921 124.200   8.873   8.873 1 U         -1.551e+06  0.00e+00 m   0   34   35   35 0
 923 124.781   8.633   8.633 1 U         -2.118e+06  0.00e+00 m   0   49   50   50 0
 924 123.567   8.573   8.685 1 U         -7.644e+04  0.00e+00 m   0  129    0  130 0
 925 120.486   8.945   9.165 1 U         -2.854e+04  0.00e+00 m   0  151    0  152 0
 926 120.486   8.041   9.165 1 U         -1.770e+04  0.00e+00 m   0  151    0  152 0
 927 120.486   8.552   9.165 1 U         -1.093e+04  0.00e+00 m   0  151    0  152 0
 928 120.486   4.087   9.165 1 U         -1.509e+04  0.00e+00 m   0  151    0  152 0
 929 120.486   2.497   9.165 1 U         -2.294e+04  0.00e+00 m   0  151    0  152 0
 930 120.486   2.366   9.165 1 U         -6.908e+04  0.00e+00 m   0  151    0  152 0
 931 120.486   2.094   9.165 1 U         -3.722e+04  0.00e+00 m   0  151    0  152 0
 932 123.130   7.281   9.116 1 U         -1.345e+04  0.00e+00 m   0  161    0  162 0
 934 123.130   1.578   9.116 1 U         -1.011e+04  0.00e+00 m   0  161    0  162 0
 935 120.917   4.525   8.779 1 U         -2.468e+04  0.00e+00 m   0  184    0  185 0
 936 120.917   7.266   8.779 1 U         -3.059e+04  0.00e+00 m   0  184    0  185 0
 937 120.917   8.682   8.779 1 U         -4.512e+04  0.00e+00 m   0  184    0  185 0
 938 120.917   2.366   8.779 1 U         -1.420e+04  0.00e+00 m   0  184    0  185 0
 939 120.917   2.064   8.779 1 U         -1.577e+04  0.00e+00 m   0  184    0  185 0
 940 119.527   9.171   8.046 1 U         -1.486e+04  0.00e+00 m   0  194    0  195 0
 941 119.527   0.948   8.046 1 U         -1.989e+04  0.00e+00 m   0  194    0  195 0
 944 121.560   4.640   8.559 1 U         -1.057e+04  0.00e+00 m   0  209    0  210 0
 945 121.560   0.971   8.559 1 U         -4.210e+04  0.00e+00 m   0  209    0  210 0
 947 119.171   0.971   8.306 1 U         -1.522e+04  0.00e+00 m   0  234    0  235 0
 948 120.436   2.280   7.899 1 U         -2.703e+04  0.00e+00 m   0  249    0  250 0
 949 121.929   1.358   8.078 1 U         -2.900e+04  0.00e+00 m   0  274    0  275 0
 950 120.452   0.987   8.329 1 U         -4.769e+04  0.00e+00 m   0  296    0  297 0
 951 120.452   7.996   8.329 1 U         -4.686e+04  0.00e+00 m   0  296    0  297 0
 952 121.852   1.738   8.284 1 U         -5.412e+04  0.00e+00 m   0  321    0  322 0
 953 123.716   8.511   8.203 1 U         -3.113e+04  0.00e+00 m   0  336    0  337 0
 954 123.716   1.260   8.203 1 U         -1.554e+04  0.00e+00 m   0  336    0  337 0
 955 123.716   1.020   8.203 1 U         -2.552e+04  0.00e+00 m   0  336    0  337 0
 956 119.982   6.890   8.556 1 U         -9.089e+03  0.00e+00 m   0  361    0  362 0
 957 119.982   1.024   8.556 1 U         -3.168e+04  0.00e+00 m   0  361    0  362 0
 958 119.982   1.252   8.556 1 U         -2.118e+04  0.00e+00 m   0  361    0  362 0
 959 120.436   8.135   7.794 1 U         -6.026e+04  0.00e+00 m   0  383    0  384 0
 960 120.436   8.277   7.794 1 U         -2.455e+04  0.00e+00 m   0  383    0  384 0
 961 120.436   2.268   7.794 1 U         -1.688e+04  0.00e+00 m   0  383    0  384 0
 962 120.436   2.355   7.794 1 U         -1.089e+04  0.00e+00 m   0  383    0  384 0
 963 120.436   1.629   7.794 1 U         -4.210e+04  0.00e+00 m   0  383    0  384 0
 964 120.436   1.004   7.794 1 U         -1.351e+04  0.00e+00 m   0  383    0  384 0
 965 120.436   3.548   7.794 1 U         -1.641e+04  0.00e+00 m   0  383    0  384 0
 966 121.381   2.111   9.200 1 U         -2.131e+04  0.00e+00 m   0  416    0  417 0
 967 121.381   2.005   9.200 1 U         -1.970e+04  0.00e+00 m   0  416    0  417 0
 968 121.381   1.904   9.200 1 U         -1.566e+04  0.00e+00 m   0  416    0  417 0
 969 121.381   1.722   9.200 1 U         -2.397e+04  0.00e+00 m   0  416    0  417 0
 970 121.381   4.192   9.200 1 U         -1.003e+04  0.00e+00 m   0  416    0  417 0
 971 121.381   3.104   9.200 1 U         -8.123e+03  0.00e+00 m   0  416    0  417 0
 972 121.381   7.419   9.200 1 U         -2.124e+04  0.00e+00 m   0  416    0  417 0
 973 121.381   7.096   9.200 1 U         -1.070e+04  0.00e+00 m   0  416    0  417 0
 975 121.381   8.382   9.200 1 U         -2.603e+04  0.00e+00 m   0  416    0  417 0
 976 121.381   7.489   9.200 1 U         -1.126e+04  0.00e+00 m   0  416    0  417 0
 977 119.630   7.087   8.530 1 U         -1.809e+04  0.00e+00 m   0  438    0  439 0
 978 119.630   6.913   8.530 1 U         -1.875e+04  0.00e+00 m   0  438    0  439 0
 979 119.630   1.010   8.530 1 U         -1.741e+04  0.00e+00 m   0  438    0  439 0
 980 121.947   1.236   8.827 1 U         -2.053e+04  0.00e+00 m   0  488    0  489 0
 981 121.947   1.020   8.827 1 U         -1.396e+04  0.00e+00 m   0  488    0  489 0
 982 121.947   8.455   8.827 1 U         -2.890e+04  0.00e+00 m   0  488    0  489 0
 983 121.947   7.435   8.827 1 U         -9.044e+03  0.00e+00 m   0  488    0  489 0
 984 121.947   3.315   8.827 1 U         -8.805e+03  0.00e+00 m   0  488    0  489 0
 985 125.885   7.077   9.179 1 U         -1.870e+04  0.00e+00 m   0  503    0  504 0
 986 125.885   1.036   9.179 1 U         -2.741e+04  0.00e+00 m   0  503    0  504 0
 987 125.885   0.756   9.179 1 U         -1.094e+04  0.00e+00 m   0  503    0  504 0
 988 125.885   1.240   9.179 1 U         -1.977e+04  0.00e+00 m   0  503    0  504 0
 989 115.549   7.904   8.380 1 U         -9.055e+03  0.00e+00 m   0  526    0  527 0
 990 115.549   7.089   8.380 1 U         -2.674e+04  0.00e+00 m   0  526    0  527 0
 991 115.549   0.999   8.380 1 U         -1.650e+04  0.00e+00 m   0  526    0  527 0
 992 115.549   0.749   8.380 1 U         -9.464e+03  0.00e+00 m   0  526    0  527 0
 993 115.549   2.084   8.380 1 U         -1.902e+04  0.00e+00 m   0  526    0  527 0
 994 122.330   0.999   8.454 1 U         -1.961e+04  0.00e+00 m   0  536    0  537 0
 995 122.330   1.542   8.454 1 U         -1.228e+04  0.00e+00 m   0  536    0  537 0
 996 122.330   1.628   8.454 1 U         -1.684e+04  0.00e+00 m   0  536    0  537 0
 998 119.674   3.106   8.127 1 U         -9.021e+03  0.00e+00 m   0  562    0  563 0
 999 119.674   0.998   8.127 1 U         -1.870e+04  0.00e+00 m   0  562    0  563 0
1000 119.674   1.261   8.127 1 U         -2.927e+04  0.00e+00 m   0  562    0  563 0
1001 119.674   0.472   8.127 1 U         -1.310e+04  0.00e+00 m   0  562    0  563 0
1003 118.698   8.202   7.657 1 U         -1.221e+04  0.00e+00 m   0  607    0  608 0
1004 118.698   3.894   7.657 1 U         -1.932e+04  0.00e+00 m   0  607    0  608 0
1005 118.698   1.262   7.657 1 U         -1.114e+04  0.00e+00 m   0  607    0  608 0
1006 118.698   0.967   7.657 1 U         -2.986e+04  0.00e+00 m   0  607    0  608 0
1007 120.860   1.306   7.909 1 U         -1.004e+04  0.00e+00 m   0  633    0  634 0
1008 120.860   1.630   7.909 1 U         -3.213e+04  0.00e+00 m   0  633    0  634 0
1009 119.011   8.365   8.622 1 U         -3.200e+04  0.00e+00 m   0  655    0  656 0
1010 119.011   1.616   8.622 1 U         -2.220e+04  0.00e+00 m   0  655    0  656 0
1011 119.011   2.040   8.622 1 U         -2.519e+04  0.00e+00 m   0  655    0  656 0
1012 112.209   0.962   7.570 1 U         -5.636e+04  0.00e+00 m   0  668    0  669 0
1013 120.475   0.969   8.210 1 U         -2.336e+04  0.00e+00 m   0  673    0  674 0
1014 123.306   0.964   7.965 1 U         -2.076e+04  0.00e+00 m   0  699    0  700 0
1015 123.306   1.539   7.965 1 U         -2.413e+04  0.00e+00 m   0  699    0  700 0
1016 122.426   8.436   8.322 1 U         -8.073e+04  0.00e+00 m   0  785    0  786 0
1017 125.334   2.381   8.660 1 U         -1.394e+05  0.00e+00 m   0  950    0  951 0
1018 125.334   1.525   8.660 1 U         -4.769e+04  0.00e+00 m   0  950    0  951 0
1019 122.576   1.013   8.472 1 U         -2.523e+04  0.00e+00 m   0  965    0  966 0
1020 121.904   2.057   8.111 1 U         -3.418e+04  0.00e+00 m   0  983    0  984 0
1021 122.484   3.901   8.675 1 U         -2.845e+04  0.00e+00 m   0 1017    0 1018 0
1022 123.567   2.070   8.685 1 U         -3.318e+04  0.00e+00 m   0  129    0  130 0
1023 123.567   2.367   8.685 1 U         -4.853e+04  0.00e+00 m   0  129    0  130 0
1024 123.567   9.172   8.685 1 U         -1.856e+04  0.00e+00 m   0  129    0  130 0
1025 120.486   1.857   9.165 1 U         -2.195e+04  0.00e+00 m   0  151    0  152 0
1026 120.486   1.651   9.165 1 U         -4.583e+04  0.00e+00 m   0  151    0  152 0
1027 120.486   0.957   9.165 1 U         -6.526e+04  0.00e+00 m   0  151    0  152 0
1028 123.130   8.786   9.116 1 U         -1.688e+04  0.00e+00 m   0  161    0  162 0
1031 120.917   9.166   8.779 1 U         -1.285e+04  0.00e+00 m   0  184  152  185 0
1032 120.917   8.059   8.779 1 U         -4.146e+04  0.00e+00 m   0  184    0  185 0
1037 119.527   1.618   8.046 1 U         -5.264e+04  0.00e+00 m   0  194    0  195 0
1038 119.527   1.738   8.046 1 U         -1.457e+04  0.00e+00 m   0  194    0  195 0
1039 119.527   8.557   8.046 1 U         -5.084e+04  0.00e+00 m   0  194    0  195 0
1040 121.560   4.093   8.559 1 U         -3.313e+04  0.00e+00 m   0  209    0  210 0
1041 121.560   8.048   8.559 1 U         -5.039e+04  0.00e+00 m   0  209    0  210 0
1042 121.560   8.296   8.559 1 U         -5.431e+04  0.00e+00 m   0  209    0  210 0
1043 121.560   7.898   8.559 1 U         -1.425e+04  0.00e+00 m   0  209    0  210 0
1044 119.527   7.904   8.046 1 U         -1.902e+04  0.00e+00 m   0  194    0  195 0
1046 121.560   2.367   8.559 1 U         -3.840e+04  0.00e+00 m   0  209    0  210 0
1047 121.560   2.494   8.559 1 U         -1.287e+04  0.00e+00 m   0  209    0  210 0
1048 119.171   7.904   8.306 1 U         -6.454e+04  0.00e+00 m   0  234    0  235 0
1049 119.171   8.083   8.306 1 U         -2.160e+04  0.00e+00 m   0  234    0  235 0
1050 119.171   8.550   8.306 1 U         -5.944e+04  0.00e+00 m   0  234    0  235 0
1052 119.171   1.586   8.306 1 U         -3.172e+04  0.00e+00 m   0  234    0  235 0
1053 119.171   1.748   8.306 1 U         -3.395e+04  0.00e+00 m   0  234    0  235 0
1054 120.436   8.075   7.899 1 U         -6.872e+04  0.00e+00 m   0  249    0  250 0
1055 120.436   8.307   7.899 1 U         -7.983e+04  0.00e+00 m   0  249    0  250 0
1056 120.436   4.085   7.899 1 U         -4.480e+04  0.00e+00 m   0  249  197  250 0
1057 120.452   8.551   8.329 1 U         -1.634e+04  0.00e+00 m   0  296    0  297 0
1058 120.452   8.074   8.329 1 U         -4.711e+04  0.00e+00 m   0  296    0  297 0
1060 120.452   2.240   8.329 1 U         -3.445e+04  0.00e+00 m   0  296    0  297 0
1061 120.452   4.088   8.329 1 U         -1.809e+04  0.00e+00 m   0  296    0  297 0
1062 120.452   4.243   8.329 1 U         -4.101e+04  0.00e+00 m   0  296    0  297 0
1063 120.452   1.327   8.329 1 U         -1.289e+04  0.00e+00 m   0  296    0  297 0
1064 121.852   3.971   8.284 1 U         -3.186e+04  0.00e+00 m   0  321    0  322 0
1065 121.852   2.032   8.284 1 U         -1.196e+05  0.00e+00 m   0  321    0  322 0
1066 120.436   1.904   7.794 1 U         -3.081e+04  0.00e+00 m   0  383    0  384 0
1067 120.436   2.059   7.794 1 U         -5.872e+04  0.00e+00 m   0  383    0  384 0
1068 120.436   1.253   7.794 1 U         -1.350e+04  0.00e+00 m   0  383    0  384 0
1069 120.436   0.727   7.794 1 U         -1.996e+04  0.00e+00 m   0  383    0  384 0
1070 120.436   0.442   7.794 1 U         -1.313e+04  0.00e+00 m   0  383    0  384 0
1071 119.982   7.780   8.556 1 U         -3.404e+04  0.00e+00 m   0  361    0  362 0
1072 119.982   9.197   8.556 1 U         -1.400e+04  0.00e+00 m   0  361    0  362 0
1073 120.436   8.471   7.794 1 U         -6.799e+04  0.00e+00 m   0  383    0  384 0
1074 120.436   8.545   7.794 1 U         -6.117e+04  0.00e+00 m   0  383    0  384 0
1079 120.436   9.197   7.794 1 U         -1.006e+04  0.00e+00 m   0  383    0  384 0
1080 121.906   7.426   8.474 1 U         -2.552e+04  0.00e+00 m   0  393    0  394 0
1081 121.906   9.199   8.474 1 U         -3.363e+04  0.00e+00 m   0  393    0  394 0
1082 121.381   8.478   9.200 1 U         -4.229e+04  0.00e+00 m   0  416    0  417 0
1083 121.381   4.516   9.200 1 U         -2.233e+04  0.00e+00 m   0  416    0  417 0
1084 121.381   3.559   9.200 1 U         -3.304e+04  0.00e+00 m   0  416    0  417 0
1085 119.630   7.927   8.530 1 U         -4.628e+04  0.00e+00 m   0  438    0  439 0
1086 121.758   8.533   7.917 1 U         -4.955e+04  0.00e+00 m   0  463    0  464 0
1087 121.758   9.182   7.917 1 U         -1.395e+04  0.00e+00 m   0  463    0  464 0
1088 121.758   8.831   7.917 1 U         -4.666e+04  0.00e+00 m   0  463    0  464 0
1089 119.630   9.182   8.530 1 U         -3.190e+04  0.00e+00 m   0  438    0  439 0
1090 121.758   3.997   7.917 1 U         -2.147e+04  0.00e+00 m   0  463    0  464 0
1091 121.758   1.026   7.917 1 U         -1.226e+04  0.00e+00 m   0  463    0  464 0
1092 120.436   3.973   7.899 1 U         -3.118e+04  0.00e+00 m   0  249    0  250 0
1093 125.885   4.188   9.179 1 U         -3.077e+04  0.00e+00 m   0  503    0  504 0
1094 121.947   9.186   8.827 1 U         -3.195e+04  0.00e+00 m   0  488    0  489 0
1095 121.947   7.920   8.827 1 U         -4.364e+04  0.00e+00 m   0  488    0  489 0
1096 121.947   4.001   8.827 1 U         -2.070e+04  0.00e+00 m   0  488    0  489 0
1097 121.947   3.087   8.827 1 U         -6.307e+03  0.00e+00 m   0  488    0  489 0
1098 125.885   8.823   9.179 1 U         -2.474e+04  0.00e+00 m   0  503    0  504 0
1099 125.885   8.427   9.179 1 U         -3.877e+04  0.00e+00 m   0  503    0  504 0
1100 115.549   9.186   8.380 1 U         -3.431e+04  0.00e+00 m   0  526    0  527 0
1101 115.549   3.943   8.380 1 U         -2.670e+04  0.00e+00 m   0  526    0  527 0
1102 115.549   1.756   8.380 1 U         -1.019e+04  0.00e+00 m   0  526    0  527 0
1103 115.549   3.049   8.380 1 U         -1.536e+04  0.00e+00 m   0  526    0  527 0
1104 115.549   3.365   8.380 1 U         -3.018e+04  0.00e+00 m   0  526    0  527 0
1105 119.674   8.299   8.127 1 U         -2.613e+04  0.00e+00 m   0  562    0  563 0
1106 120.337   8.210   8.021 1 U         -2.674e+04  0.00e+00 m   0  597    0  598 0
1107 120.337   2.016   8.021 1 U         -2.590e+04  0.00e+00 m   0  597    0  598 0
1108 112.209   0.964   7.064 1 U         -6.899e+04  0.00e+00 m   0  668    0  670 0
1110 120.917   4.624   8.779 1 U         -1.041e+04  0.00e+00 m   0  184  132  185 0
1111 119.527   4.610   8.046 1 U         -1.629e+04  0.00e+00 m   0  194  154  195 0
1112 119.527   4.630   8.046 1 U         -2.654e+04  0.00e+00 m   0  194  132  195 0
1114 120.436   4.091   7.899 1 U         -4.480e+04  0.00e+00 m   0  249    0  250 0
1115 120.632   9.199   8.474 1 U          5.450e+02  0.00e+00 m   0    0    0  394 0
1116 120.632   9.103   8.474 1 U         -4.400e+02  0.00e+00 m   0    0    0  394 0
1117 120.797   9.103   8.474 1 U         -9.990e+02  0.00e+00 m   0    0    0  394 0
1119 120.337   3.876   8.021 1 U         -9.475e+03  0.00e+00 m   0  597    0  598 0
1120 118.698   3.876   7.657 1 U         -1.659e+04  0.00e+00 m   0  607  565  608 0
1121 120.860   3.876   7.909 1 U         -1.236e+04  0.00e+00 m   0  633  565  634 0
1123 120.730   4.194   8.211 1 U         -9.628e+04  0.00e+00 m   0  709    0  710 0
1124 120.730   8.224   8.211 1 U         -7.044e+05  0.00e+00 m   0  709  761  710 0
1125 121.725   8.158   8.256 1 U         -4.499e+04  0.00e+00 m   0  734    0  735 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   .   .   C   13   C   .   .   70   ppm   .   .   .   43    .   .   30493   4
      2   .   .   H   1    H   .   .   14   ppm   .   .   .   4.8   .   .   30493   4
      2   .   .   H   1    H   .   .   14   ppm   .   .   .   4.8   .   .   30493   4
   stop_
save_