Content for NMR-STAR saveframe, "cali.peaks"

    save_cali.peaks
   _Spectral_peak_list.Sf_category                     spectral_peak_list
   _Spectral_peak_list.Sf_framecode                    cali.peaks
   _Spectral_peak_list.Entry_ID                        19312
   _Spectral_peak_list.ID                              2
   _Spectral_peak_list.Sample_ID                       1
   _Spectral_peak_list.Sample_label                   $hr4783b.009
   _Spectral_peak_list.Sample_condition_list_ID        1
   _Spectral_peak_list.Sample_condition_list_label    $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                   7
   _Spectral_peak_list.Experiment_name                '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY'
   _Spectral_peak_list.Number_of_spectral_dimensions   .
   _Spectral_peak_list.Details                         .
   _Spectral_peak_list.Text_data_format                text
   _Spectral_peak_list.Text_data                      
;
# Number of dimensions 3
#INAME 1 H1
#INAME 2 H1
#INAME 3 C13
#CYANAFORMAT HhC
   1   4.446   2.017  55.519 0 U          7.562e+02  0.00e+00 -   0    0    0    0 0
   2   2.435   2.793  32.201 0 U         -1.266e+04  0.00e+00 -   0  904  905  903 0
   3   1.443   9.555  18.973 0 U         -8.464e+03  0.00e+00 -   0  164  160  163 0
   4   1.419   4.324  18.989 0 U         -7.124e+03  0.00e+00 -   0 1077 1074 1076 0
   5   1.444   4.158  18.932 0 U         -1.518e+04  0.00e+00 -   0  164  162  163 0
   6   4.331   1.409  52.790 0 U          4.909e+03  0.00e+00 -   0 1074 1077 1075 0
   7   4.396   3.873  58.426 0 U          4.176e+03  0.00e+00 -   0   58  833   57 0
   8   4.335   8.405  55.295 0 U          7.624e+03  0.00e+00 -   0  255  267  254 0
   9   4.351   3.177  55.927 0 U          2.372e+03  0.00e+00 -   0  749 1067  748 0
  10   4.349   1.765  55.931 0 U          1.109e+04  0.00e+00 -   0    0    0    0 0
  11   4.350   1.608  55.927 0 U          6.101e+03  0.00e+00 -   0    0    0    0 0
  12   4.335   1.436  55.245 0 U          5.888e+03  0.00e+00 -   0  255  257  254 0
  13   4.337   0.913  55.329 0 U          4.623e+03  0.00e+00 -   0  255  865  254 0
  14   2.030   8.330  32.761 0 U         -1.786e+03  0.00e+00 -   0  295  314  294 0
  15   2.032   4.657  32.756 0 U         -1.743e+03  0.00e+00 -   0  295  293  294 0
  16   2.053   4.416  32.713 0 U         -2.246e+03  0.00e+00 -   0  943  637  638 0
  17   2.046   4.127  32.890 0 U         -9.043e+02  0.00e+00 -   0  115  113  114 0
  18   2.031   1.406  32.767 0 U         -8.271e+03  0.00e+00 -   0  295  296  294 0
  19   2.054   0.911  32.853 0 U         -9.464e+03  0.00e+00 -   0    0    0    0 0
  20   2.037   0.753  32.839 0 U         -1.302e+03  0.00e+00 -   0  295  893  294 0
  21   4.153   2.040  61.991 0 U          1.290e+03  0.00e+00 -   0  113  115  112 0
  22   4.146   1.218  62.686 0 U          7.883e+03  0.00e+00 -   0  245  860  244 0
  23   4.143   0.903  61.927 0 U          4.792e+03  0.00e+00 -   0    0    0    0 0
  24   3.890   7.786  44.873 0 U         -2.498e+03  0.00e+00 -   0  125  128  123 0
  25   0.267   4.013  22.993 0 U         -3.550e+03  0.00e+00 -   0  845  130  843 0
  26   0.267   1.776  22.986 0 U         -1.718e+03  0.00e+00 -   0    0    0    0 0
  27   0.267   0.890  23.000 0 U         -1.658e+03  0.00e+00 -   0  845  847  843 0
  28   0.263   0.735  23.004 0 U         -8.361e+02  0.00e+00 -   0  845  133  843 0
  29   0.267   0.259  22.993 0 U         -3.584e+05  0.00e+00 -   0    0    0    0 0
  30   0.920   7.792  26.443 0 U         -8.661e+02  0.00e+00 -   0  847  128  844 0
  31   0.924   0.277  26.308 0 U         -1.922e+03  0.00e+00 -   0    0    0    0 0
  32   0.283   0.924  42.043 0 U         -1.067e+03  0.00e+00 -   0  132  847  131 0
  33   0.287   0.747  41.994 0 U         -4.516e+03  0.00e+00 -   0  132  133  131 0
  34   4.020   7.362  54.695 0 U          7.988e+03  0.00e+00 -   0  130  142  129 0
  35   4.023   0.745  54.611 0 U          1.000e+03  0.00e+00 -   0  130  133  129 0
  36   4.020   0.265  54.681 0 U          4.619e+03  0.00e+00 -   0    0    0    0 0
  37   0.109   7.169  23.827 0 U         -7.845e+02  0.00e+00 -   0  846  987  842 0
  38   0.104   4.015  23.756 0 U         -1.069e+03  0.00e+00 -   0  846  130  842 0
  39   0.108   1.875  23.745 0 U         -9.969e+02  0.00e+00 -   0  846  391  842 0
  40   0.104   1.781  23.938 0 U         -1.354e+03  0.00e+00 -   0    0    0    0 0
  41   0.103   0.911  23.775 0 U         -2.407e+03  0.00e+00 -   0  846  847  842 0
  42   0.104   0.751  23.760 0 U         -2.086e+03  0.00e+00 -   0  846  133  842 0
  43   0.757   0.912  42.026 0 U         -3.539e+03  0.00e+00 -   0  133  847  131 0
  44   0.758   0.279  41.985 0 U         -7.816e+03  0.00e+00 -   0    0    0    0 0
  45   0.759   0.113  41.922 0 U         -1.655e+03  0.00e+00 -   0  133  846  131 0
  46   3.533   8.841  65.423 0 U          1.486e+03  0.00e+00 -   0  147  151  145 0
  47   3.533   7.367  65.358 0 U          1.012e+03  0.00e+00 -   0  147  142  145 0
  48   3.531   5.002  65.468 0 U          3.696e+03  0.00e+00 -   0  147  144  145 0
  49   3.532   4.275  65.350 0 U          1.018e+03  0.00e+00 -   0  147  190  145 0
  50   3.532   1.328  65.452 0 U          2.594e+03  0.00e+00 -   0  147  852  145 0
  51   3.456   8.839  65.429 0 U          1.412e+03  0.00e+00 -   0  146  151  145 0
  52   3.457   7.357  65.399 0 U          1.277e+03  0.00e+00 -   0  146  142  145 0
  53   3.454   5.001  65.417 0 U          3.816e+03  0.00e+00 -   0  146  144  145 0
  54   3.457   4.260  65.337 0 U          9.086e+02  0.00e+00 -   0  146  190  145 0
  55   3.454   1.328  65.453 0 U          2.723e+03  0.00e+00 -   0  146  852  145 0
  56   5.009   8.839  56.068 0 U          7.079e+03  0.00e+00 -   0  144  151  143 0
  57   5.005   7.360  56.003 0 U          2.068e+03  0.00e+00 -   0  144  142  143 0
  58   5.009   7.066  55.997 0 U          3.875e+03  0.00e+00 -   0    0    0    0 0
  59   5.008   3.491  56.015 0 U          5.714e+03  0.00e+00 -   0    0    0    0 0
  60   4.982   2.690  55.743 0 U          4.545e+03  0.00e+00 -   0  169  171  168 0
  61   5.011   1.334  56.037 0 U          2.820e+03  0.00e+00 -   0  144  852  143 0
  62   3.488   8.837  31.202 0 U         -2.615e+03  0.00e+00 -   0  156  151  154 0
  63   3.486   8.560  31.164 0 U         -1.940e+03  0.00e+00 -   0  156  203  154 0
  64   3.486   8.142  31.129 0 U         -1.685e+03  0.00e+00 -   0  156  188  154 0
  65   3.487   4.425  31.180 0 U         -1.177e+03  0.00e+00 -   0  156  153  154 0
  66   3.486   3.014  31.140 0 U         -8.157e+03  0.00e+00 -   0  156  155  154 0
  67   3.483   2.465  31.078 0 U         -1.018e+03  0.00e+00 -   0    0    0    0 0
  68   3.483   1.172  31.177 0 U         -1.982e+03  0.00e+00 -   0  156  851  154 0
  69   3.016   9.818  31.108 0 U         -1.644e+03  0.00e+00 -   0  155  410  154 0
  70   3.019   8.839  31.108 0 U         -3.044e+03  0.00e+00 -   0  155  151  154 0
  71   3.023   8.559  31.214 0 U         -9.028e+02  0.00e+00 -   0  155  203  154 0
  72   3.017   8.150  31.159 0 U         -1.114e+03  0.00e+00 -   0  155  188  154 0
  73   3.024   6.309  31.109 0 U         -1.226e+03  0.00e+00 -   0  155  997  154 0
  74   3.020   4.432  31.148 0 U         -1.996e+03  0.00e+00 -   0  155  153  154 0
  75   2.989   4.217  31.054 0 U         -2.968e+03  0.00e+00 -   0  415  412  413 0
  76   3.021   3.477  31.148 0 U         -9.782e+03  0.00e+00 -   0  155  156  154 0
  77   2.993   2.456  31.054 0 U         -8.771e+03  0.00e+00 -   0  415  895  413 0
  78   3.013   1.177  31.135 0 U         -3.902e+03  0.00e+00 -   0    0    0    0 0
  79   4.438   9.557  59.652 0 U          6.693e+03  0.00e+00 -   0  153  160  152 0
  80   4.436   5.737  59.612 0 U          4.011e+03  0.00e+00 -   0  153  401  152 0
  81   4.439   3.010  59.594 0 U          2.463e+03  0.00e+00 -   0  153  155  152 0
  82   1.441   9.072  18.961 0 U         -2.439e+03  0.00e+00 -   0  164  167  163 0
  83   1.443   7.763  18.968 0 U         -2.289e+03  0.00e+00 -   0  164 1049  163 0
  84   1.444   7.491  18.992 0 U         -2.232e+03  0.00e+00 -   0  164  971  163 0
  85   1.439   5.731  19.034 0 U         -1.021e+03  0.00e+00 -   0  164  401  163 0
  86   1.444   4.976  18.964 0 U         -1.014e+03  0.00e+00 -   0  164  169  163 0
  87   1.443   4.417  18.966 0 U         -8.529e+02  0.00e+00 -   0  164  153  163 0
  88   1.443   3.796  18.989 0 U         -1.492e+03  0.00e+00 -   0  164  890  163 0
  89   1.443   2.241  18.950 0 U         -2.204e+03  0.00e+00 -   0    0    0    0 0
  90   1.444   2.054  18.959 0 U         -5.430e+03  0.00e+00 -   0  164  882  163 0
  91   1.443   1.887  18.963 0 U         -3.719e+03  0.00e+00 -   0  164  881  163 0
  92   1.443   1.734  18.984 0 U         -1.375e+03  0.00e+00 -   0  164  889  163 0
  94   4.168   9.551  55.002 0 U          3.045e+03  0.00e+00 -   0  162  160  161 0
  95   4.165   9.069  55.004 0 U          1.003e+03  0.00e+00 -   0  162  167  161 0
  97   4.167   1.436  55.013 0 U          1.299e+04  0.00e+00 -   0  162  164  161 0
  98   3.519   9.075  40.044 0 U         -1.798e+03  0.00e+00 -   0  172  167  170 0
  99   3.516   8.725  40.046 0 U         -3.470e+03  0.00e+00 -   0    0    0    0 0
 100   3.517   7.590  39.993 0 U         -8.801e+02  0.00e+00 -   0  172  970  170 0
 101   3.517   4.979  40.001 0 U         -1.375e+03  0.00e+00 -   0  172  169  170 0
 102   3.515   2.688  40.048 0 U         -1.011e+04  0.00e+00 -   0  172  171  170 0
 103   2.699   9.077  40.069 0 U         -2.832e+03  0.00e+00 -   0  171  167  170 0
 104   2.696   8.721  40.050 0 U         -3.085e+03  0.00e+00 -   0    0    0    0 0
 105   2.696   4.972  40.025 0 U         -3.556e+03  0.00e+00 -   0  171  169  170 0
 106   2.696   3.508  40.054 0 U         -1.377e+04  0.00e+00 -   0  171  172  170 0
 107   2.709   3.229  39.501 0 U         -9.862e+03  0.00e+00 -   0  423  424  422 0
 108   2.698   1.148  39.973 0 U         -1.109e+03  0.00e+00 -   0  171  894  170 0
 109   4.982   9.073  55.854 0 U          2.543e+03  0.00e+00 -   0  169  167  168 0
 110   2.429   8.739  33.680 0 U         -1.468e+03  0.00e+00 -   0  184  179  182 0
 111   2.434   4.904  33.677 0 U         -3.618e+03  0.00e+00 -   0  184  181  182 0
 112   2.434   3.278  33.660 0 U         -1.545e+04  0.00e+00 -   0  184  183  182 0
 113   2.425   0.867  33.565 0 U         -9.804e+02  0.00e+00 -   0  184  941  182 0
 114   2.433   0.711  33.606 0 U         -1.098e+03  0.00e+00 -   0  184  940  182 0
 115   3.282   8.741  33.692 0 U         -1.068e+03  0.00e+00 -   0  183  179  182 0
 116   3.286   4.905  33.681 0 U         -4.169e+03  0.00e+00 -   0  183  181  182 0
 117   3.285   2.427  33.667 0 U         -1.534e+04  0.00e+00 -   0  183  184  182 0
 118   3.283   0.867  33.679 0 U         -9.087e+02  0.00e+00 -   0  183  941  182 0
 119   3.285   0.720  33.641 0 U         -1.086e+03  0.00e+00 -   0  183  940  182 0
 120   4.914   3.300  59.158 0 U          4.295e+03  0.00e+00 -   0  181  183  180 0
 121   4.915   2.423  59.166 0 U          3.687e+03  0.00e+00 -   0  181  184  180 0
 122   4.916   0.866  59.105 0 U          3.739e+03  0.00e+00 -   0  181  941  180 0
 123   4.280   8.833  58.416 0 U          1.025e+03  0.00e+00 -   0  190  151  189 0
 124   4.282   8.147  58.289 0 U          8.102e+03  0.00e+00 -   0  190  188  189 0
 125   4.286   3.449  58.219 0 U          2.479e+03  0.00e+00 -   0  190  156  189 0
 126   4.283   2.492  58.249 0 U          2.253e+03  0.00e+00 -   0  190  193  189 0
 127   4.283   2.350  58.254 0 U          3.646e+03  0.00e+00 -   0  190  192  189 0
 128   2.501   4.282  25.915 0 U         -1.628e+03  0.00e+00 -   0  193  190  191 0
 130   2.502   2.360  25.996 0 U         -1.815e+04  0.00e+00 -   0  193  192  191 0
 131   2.271   8.142  34.448 0 U         -1.775e+03  0.00e+00 -   0  849  188  848 0
 132   2.268   4.278  34.462 0 U         -3.590e+03  0.00e+00 -   0  849  190  848 0
 133   2.266   2.489  34.481 0 U         -1.171e+04  0.00e+00 -   0  849  193  848 0
 134   2.372   4.273  25.959 0 U         -2.093e+03  0.00e+00 -   0  192  190  191 0
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 139   1.184   7.060  22.006 0 U         -1.755e+03  0.00e+00 -   0  851  993  850 0
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 145   1.183   2.455  21.987 0 U         -4.896e+03  0.00e+00 -   0    0    0    0 0
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 150   1.338   5.101  21.482 0 U         -6.154e+03  0.00e+00 -   0  852  215  853 0
 151   1.338   4.756  21.486 0 U         -9.203e+03  0.00e+00 -   0  852  217  853 0
 152   1.339   4.588  21.500 0 U         -1.059e+03  0.00e+00 -   0  852  205  853 0
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 159   1.155   4.792  20.648 0 U         -3.902e+03  0.00e+00 -   0  855  225  854 0
 160   1.154   3.997  20.658 0 U         -9.487e+03  0.00e+00 -   0  855  227  854 0
 161   4.006   8.277  70.586 0 U          1.162e+03  0.00e+00 -   0  227  223  226 0
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 163   4.005   1.148  70.629 0 U          8.942e+03  0.00e+00 -   0  227  855  226 0
 164   3.724   4.468  67.485 0 U          1.473e+03  0.00e+00 -   0  857  856  815 0
 165   3.716   2.985  67.499 0 U          2.247e+03  0.00e+00 -   0  857  415  815 0
 166   3.723  -0.760  67.484 0 U          1.870e+03  0.00e+00 -   0  857  859  815 0
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 173   1.356   4.323  26.850 0 U         -8.350e+02  0.00e+00 -   0  867  255  864 0
 174   1.340   0.920  26.901 0 U         -2.241e+03  0.00e+00 -   0  867  865  864 0
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 179   1.442   0.912  44.592 0 U         -3.506e+03  0.00e+00 -   0  257  865  256 0
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 182   0.922   4.331  23.786 0 U         -5.543e+03  0.00e+00 -   0  865  255  862 0
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 580   3.068   0.903  31.985 0 U         -2.303e+03  0.00e+00 -   0  922 1006  535 0
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 583   2.693   6.593  31.963 0 U         -8.500e+02  0.00e+00 -   0  921  985  535 0
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 585   2.693   3.059  31.969 0 U         -1.213e+04  0.00e+00 -   0  921  922  535 0
 586   2.696   0.900  32.017 0 U         -1.669e+03  0.00e+00 -   0  921 1006  535 0
 587   4.148   8.523  46.082 0 U         -2.059e+03  0.00e+00 -   0  551  548  549 0
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 590   4.150   3.923  46.066 0 U         -1.695e+04  0.00e+00 -   0  551  550  549 0
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 594   3.929   4.139  46.071 0 U         -1.936e+04  0.00e+00 -   0  550  551  549 0
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 599   0.911   3.632  18.556 0 U         -1.751e+03  0.00e+00 -   0 1006 1008 1004 0
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 601   0.910   2.682  18.626 0 U         -2.136e+03  0.00e+00 -   0 1006  921 1004 0
 602   0.911   2.317  18.614 0 U         -1.091e+04  0.00e+00 -   0 1006 1003 1004 0
 603   2.324   4.751  33.447 0 U         -4.459e+03  0.00e+00 -   0 1003  923  819 0
 604   2.323   3.744  33.414 0 U         -2.986e+03  0.00e+00 -   0 1003  930  819 0
 605   2.325   3.636  33.473 0 U         -5.876e+03  0.00e+00 -   0 1003 1008  819 0
 606   2.324   1.021  33.471 0 U         -7.245e+03  0.00e+00 -   0 1003 1007  819 0
 607   2.326   0.905  33.478 0 U         -6.367e+03  0.00e+00 -   0 1003 1006  819 0
 608   1.030   7.357  22.025 0 U         -1.377e+03  0.00e+00 -   0 1007  554 1005 0
 609   1.028   4.751  22.085 0 U         -7.203e+03  0.00e+00 -   0 1007  923 1005 0
 610   1.027   3.748  22.061 0 U         -1.573e+03  0.00e+00 -   0 1007  930 1005 0
 611   1.026   3.632  22.147 0 U         -1.874e+03  0.00e+00 -   0 1007 1008 1005 0
 612   1.027   2.317  22.071 0 U         -1.081e+04  0.00e+00 -   0 1007 1003 1005 0
 613   1.196   1.187  21.626 0 U         -9.773e+05  0.00e+00 -   0    0    0    0 0
 614   1.735   8.747  32.220 0 U         -8.675e+02  0.00e+00 -   0  928   27  568 0
 615   1.737   4.603  32.129 0 U         -2.013e+03  0.00e+00 -   0  928  567  568 0
 616   1.740   3.762  32.164 0 U         -9.150e+02  0.00e+00 -   0  928  930  568 0
 617   1.743   3.636  32.110 0 U         -1.466e+03  0.00e+00 -   0  928 1008  568 0
 618   1.744   2.179  32.108 0 U         -1.366e+04  0.00e+00 -   0  928  929  568 0
 619   1.926   3.747  27.594 0 U         -2.642e+03  0.00e+00 -   0  927  930  924 0
 620   1.915   3.634  27.493 0 U         -2.188e+03  0.00e+00 -   0  927 1008  924 0
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 630   3.755   3.636  50.350 0 U          2.804e+04  0.00e+00 -   0  930 1008  925 0
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 632   3.752   2.188  50.353 0 U          1.124e+03  0.00e+00 -   0  930  929  925 0
 633   3.757   2.012  50.349 0 U          3.393e+03  0.00e+00 -   0    0    0    0 0
 634   3.753   1.003  50.309 0 U          1.212e+03  0.00e+00 -   0  930 1007  925 0
 635   2.188   8.745  32.173 0 U         -1.114e+03  0.00e+00 -   0  929   27  568 0
 636   2.188   4.605  32.125 0 U         -4.187e+03  0.00e+00 -   0  929  567  568 0
 637   2.187   3.744  32.092 0 U         -1.158e+03  0.00e+00 -   0  929  930  568 0
 638   2.185   3.635  32.096 0 U         -1.872e+03  0.00e+00 -   0    0    0    0 0
 639   2.186   2.179  32.059 0 U         -1.069e+05  0.00e+00 -   0    0    0    0 0
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 643   2.014   3.743  27.615 0 U         -3.161e+03  0.00e+00 -   0  926  930  924 0
 644   2.013   3.634  27.609 0 U         -3.273e+03  0.00e+00 -   0  926 1008  924 0
 645   2.014   2.167  27.622 0 U         -6.907e+03  0.00e+00 -   0  926  929  924 0
 646   2.015   1.926  27.608 0 U         -4.634e+04  0.00e+00 -   0  926  927  924 0
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 648   3.137   7.326  54.402 0 U          8.924e+02  0.00e+00 -   0 1010  983   28 0
 649   3.132   3.637  54.514 0 U          3.881e+03  0.00e+00 -   0 1010  935   28 0
 650   3.133   2.897  54.547 0 U          2.543e+03  0.00e+00 -   0 1010  936   28 0
 651   3.135   1.685  54.532 0 U          7.608e+02  0.00e+00 -   0 1010 1015   28 0
 652   3.140   1.176  54.522 0 U          1.188e+03  0.00e+00 -   0 1010 1009   28 0
 653   3.140   0.774  54.489 0 U          1.202e+03  0.00e+00 -   0 1010 1014   28 0
 654   1.691   8.729  32.817 0 U         -1.953e+03  0.00e+00 -   0    0    0    0 0
 655   1.687   7.595  32.816 0 U         -1.022e+03  0.00e+00 -   0 1015  970   30 0
 656   1.693   3.140  32.786 0 U         -7.022e+02  0.00e+00 -   0 1015 1010   30 0
 657   1.688   1.140  32.839 0 U         -5.579e+03  0.00e+00 -   0 1015 1009   30 0
 658   1.679   0.778  32.783 0 U         -1.012e+03  0.00e+00 -   0 1015 1014   30 0
 659   0.795   3.234  27.232 0 U         -1.326e+03  0.00e+00 -   0    0    0    0 0
 660   0.792   2.891  27.174 0 U         -1.582e+03  0.00e+00 -   0    0    0    0 0
 661   0.788   1.240  27.210 0 U         -6.241e+03  0.00e+00 -   0 1014 1013 1011 0
 662   2.889   7.331  43.966 0 U         -8.179e+02  0.00e+00 -   0 1016  983 1012 0
 663   2.880   4.006  43.861 0 U         -1.055e+03  0.00e+00 -   0 1016  440 1012 0
 664   2.884   3.252  43.929 0 U         -1.372e+04  0.00e+00 -   0    0    0    0 0
 665   2.881   1.667  43.975 0 U         -1.041e+03  0.00e+00 -   0 1016 1015 1012 0
 666   2.883   1.224  43.975 0 U         -1.245e+03  0.00e+00 -   0 1016 1013 1012 0
 667   2.882   0.776  43.937 0 U         -1.934e+03  0.00e+00 -   0 1016 1014 1012 0
 668   1.139   8.741  32.836 0 U         -1.359e+03  0.00e+00 -   0    0    0    0 0
 669   1.144   3.181  32.857 0 U         -1.628e+03  0.00e+00 -   0    0    0    0 0
 670   1.146   1.681  32.821 0 U         -4.408e+03  0.00e+00 -   0 1009 1015   30 0
 671   1.155   0.769  32.906 0 U         -1.397e+03  0.00e+00 -   0 1009 1014   30 0
 672   1.247   3.237  27.149 0 U         -1.355e+03  0.00e+00 -   0    0    0    0 0
 673   1.250   3.141  27.270 0 U         -1.058e+03  0.00e+00 -   0 1013 1010 1011 0
 674   1.252   2.880  27.227 0 U         -1.353e+03  0.00e+00 -   0    0    0    0 0
 675   1.249   1.684  27.173 0 U         -1.628e+03  0.00e+00 -   0 1013 1015 1011 0
 676   1.248   0.779  27.217 0 U         -6.676e+03  0.00e+00 -   0 1013 1014 1011 0
 677   3.259   3.247  43.778 0 U         -4.378e+04  0.00e+00 -   0    0    0    0 0
 678   1.885   4.304  27.157 0 U         -1.600e+03  0.00e+00 -   0  934  603  932 0
 679   1.889   3.637  27.191 0 U         -4.612e+03  0.00e+00 -   0  934  935  932 0
 680   1.879   3.127  27.076 0 U         -8.460e+02  0.00e+00 -   0  934 1010  932 0
 681   1.884   2.896  27.136 0 U         -4.681e+03  0.00e+00 -   0  934  936  932 0
 682   1.892   2.178  27.217 0 U         -5.557e+03  0.00e+00 -   0  934  605  932 0
 683   1.922   1.995  27.598 0 U         -4.235e+04  0.00e+00 -   0  927  926  924 0
 686   2.904   6.597  51.790 0 U          6.392e+02  0.00e+00 -   0  936  985  933 0
 687   2.905   3.636  51.778 0 U          1.232e+04  0.00e+00 -   0  936  935  933 0
 688   2.907   3.122  51.760 0 U          4.386e+03  0.00e+00 -   0  936 1010  933 0
 689   2.904   1.878  51.779 0 U          4.278e+03  0.00e+00 -   0  936  934  933 0
 690   2.903   1.239  51.725 0 U          8.150e+02  0.00e+00 -   0  936 1013  933 0
 691   2.906   0.775  51.753 0 U          1.266e+03  0.00e+00 -   0  936 1014  933 0
 692   3.644   6.598  51.791 0 U          1.549e+03  0.00e+00 -   0  935  985  933 0
 693   3.644   3.125  51.773 0 U          6.693e+03  0.00e+00 -   0  935 1010  933 0
 694   3.643   2.897  51.778 0 U          1.434e+04  0.00e+00 -   0  935  936  933 0
 695   3.644   2.191  51.694 0 U          7.134e+02  0.00e+00 -   0  935  605  933 0
 696   3.642   1.878  51.766 0 U          5.141e+03  0.00e+00 -   0  935  934  933 0
 697   3.640   0.781  51.687 0 U          7.919e+02  0.00e+00 -   0  935 1014  933 0
 698   4.311   8.278  62.465 0 U          6.846e+03  0.00e+00 -   0  603  614  602 0
 699   4.312   2.177  62.453 0 U          7.670e+03  0.00e+00 -   0  603  605  602 0
 700   4.310   1.879  62.384 0 U          2.580e+03  0.00e+00 -   0  603  934  602 0
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 702   0.721   8.708  22.994 0 U         -8.019e+02  0.00e+00 -   0    0    0    0 0
 703   0.723   4.905  22.989 0 U         -1.723e+03  0.00e+00 -   0  940  181  937 0
 704   0.724   4.274  23.012 0 U         -7.294e+03  0.00e+00 -   0  940  616  937 0
 705   0.722   3.278  22.971 0 U         -1.900e+03  0.00e+00 -   0  940  183  937 0
 706   0.723   2.426  23.018 0 U         -2.084e+03  0.00e+00 -   0  940  184  937 0
 707   0.722   1.658  23.011 0 U         -5.162e+03  0.00e+00 -   0  940  942  937 0
 708   0.723   1.510  22.999 0 U         -3.698e+03  0.00e+00 -   0  940  618  937 0
 709   4.279   8.278  54.600 0 U          1.609e+03  0.00e+00 -   0  616  614  615 0
 710   4.280   1.523  54.517 0 U          4.385e+03  0.00e+00 -   0  616  618  615 0
 711   4.276   0.852  54.537 0 U          1.075e+03  0.00e+00 -   0  616  941  615 0
 712   4.279   0.714  54.530 0 U          5.597e+03  0.00e+00 -   0  616  940  615 0
 713   0.870   4.904  25.195 0 U         -2.249e+03  0.00e+00 -   0  941  181  938 0
 714   1.590   8.285  42.321 0 U         -1.284e+03  0.00e+00 -   0  619  614  617 0
 715   1.592   4.272  42.322 0 U         -2.791e+03  0.00e+00 -   0  619  616  617 0
 716   1.591   0.861  42.342 0 U         -2.825e+03  0.00e+00 -   0  619  941  617 0
 717   1.592   0.716  42.376 0 U         -1.852e+03  0.00e+00 -   0  619  940  617 0
 718   1.345   4.240  18.978 0 U         -1.141e+04  0.00e+00 -   0  632  630  631 0
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 720   1.949   2.033  32.625 0 U         -1.052e+05  0.00e+00 -   0  640  943  638 0
 721   1.948   1.941  32.494 0 U         -1.111e+05  0.00e+00 -   0    0    0    0 0
 722   4.414   2.014  55.392 0 U          2.907e+03  0.00e+00 -   0    0    0    0 0
 723   1.760   4.335  30.700 0 U         -6.284e+03  0.00e+00 -   0    0    0    0 0
 724   1.764   3.182  30.697 0 U         -2.218e+03  0.00e+00 -   0  751 1067  750 0
 725   1.762   1.845  30.730 0 U         -2.592e+05  0.00e+00 -   0  751  752  750 0
 726   4.298   1.774  56.296 0 U          6.712e+03  0.00e+00 -   0    0    0    0 0
 727   1.824   4.289  32.920 0 U         -4.141e+03  0.00e+00 -   0    0    0    0 0
 728   1.783   1.778  32.094 0 U         -8.834e+04  0.00e+00 -   0    0    0    0 0
 729   1.825   1.443  32.965 0 U         -6.637e+03  0.00e+00 -   0    0    0    0 0
 730   1.750   4.288  32.893 0 U         -3.167e+03  0.00e+00 -   0    0    0    0 0
 731   1.748   1.807  32.951 0 U         -1.990e+05  0.00e+00 -   0    0    0    0 0
 732   1.750   1.434  32.929 0 U         -4.036e+03  0.00e+00 -   0    0    0    0 0
 733   1.451   4.285  24.643 0 U         -1.211e+03  0.00e+00 -   0  949  673  947 0
 734   1.453   1.667  24.667 0 U         -6.259e+03  0.00e+00 -   0  949  951  947 0
 735   1.507   1.624  24.618 0 U         -9.293e+03  0.00e+00 -   0  908  911  906 0
 736   2.055   4.285  30.250 0 U         -1.874e+03  0.00e+00 -   0  695  692  693 0
 737   2.056   2.263  30.190 0 U         -6.075e+03  0.00e+00 -   0  695  953  693 0
 738   2.273   4.294  36.099 0 U         -1.424e+03  0.00e+00 -   0  953  692  954 0
 739   1.944   4.295  30.277 0 U         -1.094e+03  0.00e+00 -   0  694  692  693 0
 740   1.946   2.265  30.256 0 U         -9.799e+03  0.00e+00 -   0  694  953  693 0
 741   1.946   2.045  30.244 0 U         -7.552e+04  0.00e+00 -   0  694  695  693 0
 743   0.903   4.143  17.375 0 U         -2.317e+03  0.00e+00 -   0  958  710  957 0
 744   0.892   1.853  17.425 0 U         -2.751e+03  0.00e+00 -   0  958  712  957 0
 745   0.902   1.189  17.432 0 U         -2.224e+03  0.00e+00 -   0  958  961  957 0
 746   1.455   4.144  27.163 0 U         -6.844e+02  0.00e+00 -   0  960  710  955 0
 748   1.455   1.179  27.255 0 U         -3.418e+04  0.00e+00 -   0  960  961  955 0
 749   1.453   0.881  27.272 0 U         -1.900e+03  0.00e+00 -   0    0    0    0 0
 750   1.182   1.443  27.253 0 U         -3.100e+04  0.00e+00 -   0  961  960  955 0
 751   1.861   4.146  38.601 0 U         -1.202e+03  0.00e+00 -   0  712  710  711 0
 752   1.868   0.884  38.566 0 U         -2.221e+03  0.00e+00 -   0    0    0    0 0
 753   4.151   1.856  61.303 0 U          1.605e+03  0.00e+00 -   0  710  712  709 0
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 756   0.861   1.159  12.890 0 U         -5.398e+03  0.00e+00 -   0  959  961  956 0
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 760   2.124   1.990  29.252 0 U         -7.562e+04  0.00e+00 -   0  727  726  725 0
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 762   2.384   2.122  33.697 0 U         -6.049e+03  0.00e+00 -   0  963  727  962 0
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 766   1.854   3.180  30.652 0 U         -2.198e+03  0.00e+00 -   0  752 1067  750 0
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 800   3.023   7.068  31.196 0 U         -6.143e+02  0.00e+00 -   0  155  993  154 0
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 804   2.501   2.265  25.963 0 U         -7.842e+03  0.00e+00 -   0  193  849  191 0
 805   2.369   2.265  25.963 0 U         -1.176e+04  0.00e+00 -   0  192  849  191 0
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 827   2.033   9.147  32.755 0 U         -6.654e+02  0.00e+00 -   0  295  291  294 0
 828   1.412   3.079  32.741 0 U         -4.036e+02  0.00e+00 -   0  296  872  294 0
 829   1.411   1.636  32.756 0 U         -2.292e+03  0.00e+00 -   0  296  869  294 0
 830   1.499   3.254  29.040 0 U         -6.503e+02  0.00e+00 -   0    0    0    0 0
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 836   3.258   3.513  43.676 0 U         -1.648e+03  0.00e+00 -   0  871  450  300 0
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 838   5.375   1.489  54.256 0 U          6.362e+02  0.00e+00 -   0  316  875  315 0
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 840   1.622   1.708  33.981 0 U         -3.204e+04  0.00e+00 -   0  318  319  317 0
 841   1.622   1.489  33.981 0 U         -6.514e+03  0.00e+00 -   0  318  875  317 0
 842   1.622   8.840  33.981 0 U         -6.073e+02  0.00e+00 -   0  318  337  317 0
 843   1.622   8.319  33.981 0 U         -5.094e+02  0.00e+00 -   0  318  314  317 0
 844   1.485   8.315  26.586 0 U         -4.767e+02  0.00e+00 -   0  875  314  873 0
 845   3.619   7.769  38.667 0 U         -5.016e+02  0.00e+00 -   0  341 1049  340 0
 846   4.322   2.346  56.619 0 U          2.539e+03  0.00e+00 -   0  358  879  357 0
 847   2.236   2.346  29.207 0 U         -6.841e+03  0.00e+00 -   0  360  879  359 0
 848   4.271   1.626  45.254 0 U         -7.396e+02  0.00e+00 -   0    0    0    0 0
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 851   4.998   3.798  62.766 0 U          6.653e+02  0.00e+00 -   0  388  890  387 0
 852   2.246   7.372  27.536 0 U         -6.262e+02  0.00e+00 -   0  888  142  886 0
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 863   0.751   9.812  19.112 0 U         -5.945e+02  0.00e+00 -   0  893  410  891 0
 864   4.077   9.264  57.626 0 U          6.924e+02  0.00e+00 -   0    0    0    0 0
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 866   1.514   2.888  18.382 0 U         -6.172e+02  0.00e+00 -   0  435 1016  434 0
 867   1.514   3.244  18.382 0 U         -8.119e+02  0.00e+00 -   0  435 1017  434 0
 868   4.014   7.843  65.467 0 U          6.532e+02  0.00e+00 -   0    0    0    0 0
 869   3.146   9.812  28.909 0 U         -6.473e+02  0.00e+00 -   0  896  410  441 0
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 874   3.208   2.877  39.741 0 U         -1.120e+03  0.00e+00 -   0  471 1016  470 0
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 876   4.524   2.053  57.672 0 U          6.521e+02  0.00e+00 -   0  488 1001  487 0
 877   4.530   2.793  57.682 0 U          8.361e+02  0.00e+00 -   0  488  905  487 0
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 887   0.720   7.776  24.048 0 U         -6.704e+02  0.00e+00 -   0  919  518  914 0
 888   2.683   5.524  31.970 0 U         -5.605e+02  0.00e+00 -   0  921  998  535 0
 889   3.079   7.371  31.961 0 U         -1.024e+03  0.00e+00 -   0    0    0    0 0
 890   1.027   4.178  22.080 0 U         -6.955e+02  0.00e+00 -   0 1007  551 1005 0
 891   1.924   4.615  27.593 0 U         -5.950e+02  0.00e+00 -   0  927  567  924 0
 892   1.922   1.741  27.596 0 U         -6.306e+03  0.00e+00 -   0  927  928  924 0
 893   3.756   0.906  50.352 0 U          8.436e+02  0.00e+00 -   0  930 1006  925 0
 894   3.639   1.922  50.352 0 U          1.477e+03  0.00e+00 -   0 1008  927  925 0
 895   3.756   1.741  50.352 0 U          1.141e+03  0.00e+00 -   0  930  928  925 0
 896   3.132   6.593  54.455 0 U          9.009e+02  0.00e+00 -   0 1010  985   28 0
 897   3.124   8.737  54.482 0 U          6.984e+02  0.00e+00 -   0 1010   27   28 0
 898   1.147   1.247  32.836 0 U         -2.703e+03  0.00e+00 -   0 1009 1013   30 0
 899   1.687   1.247  32.836 0 U         -2.182e+03  0.00e+00 -   0 1015 1013   30 0
 900   1.135   2.886  32.837 0 U         -6.393e+02  0.00e+00 -   0    0    0    0 0
 901   1.687   2.881  32.836 0 U         -6.321e+02  0.00e+00 -   0    0    0    0 0
 902   0.788   1.147  27.210 0 U         -1.575e+03  0.00e+00 -   0 1014 1009 1011 0
 903   0.797   3.141  27.206 0 U         -1.073e+03  0.00e+00 -   0 1014 1010 1011 0
 904   2.881   1.147  43.940 0 U         -1.073e+03  0.00e+00 -   0 1016 1009 1012 0
 905   3.262   1.147  43.910 0 U         -1.202e+03  0.00e+00 -   0 1017 1009 1012 0
 906   2.242   2.434  31.780 0 U         -2.312e+03  0.00e+00 -   0  490  904  489 0
 907   2.219   2.434  31.780 0 U         -2.981e+03  0.00e+00 -   0  491  904  489 0
 908   2.194   8.287  32.058 0 U         -7.637e+02  0.00e+00 -   0  605  614  604 0
 909   1.776   8.276  31.891 0 U         -6.222e+02  0.00e+00 -   0  606  614  604 0
 910   2.905   1.776  51.764 0 U          9.004e+02  0.00e+00 -   0  936  606  933 0
 911   3.636   7.329  51.760 0 U          7.407e+02  0.00e+00 -   0  935  983  933 0
 912   3.642   4.288  51.737 0 U          5.743e+02  0.00e+00 -   0  935  603  933 0
 913   4.279   1.592  54.535 0 U          2.779e+03  0.00e+00 -   0  616  619  615 0
 914   0.870   4.279  25.195 0 U         -6.794e+02  0.00e+00 -   0  941  616  938 0
 915   0.870   2.439  25.195 0 U         -8.099e+02  0.00e+00 -   0  941  184  938 0
 916   0.870   3.275  25.195 0 U         -8.300e+02  0.00e+00 -   0  941  183  938 0
 917   0.870   1.512  25.195 0 U         -1.457e+03  0.00e+00 -   0  941  618  938 0
 918   0.870   1.592  25.195 0 U         -2.728e+03  0.00e+00 -   0  941  619  938 0
 919   0.870   7.602  25.195 0 U         -6.553e+02  0.00e+00 -   0  941  970  938 0
 920   0.724   7.607  23.014 0 U         -6.864e+02  0.00e+00 -   0  940  970  937 0
 921   1.675   4.279  26.725 0 U         -1.261e+03  0.00e+00 -   0  942  616  939 0
 922   4.414   8.234  55.392 0 U          6.581e+02  0.00e+00 -   0  637  648  636 0
 923   2.048   8.140  32.700 0 U         -1.866e+02  0.00e+00 -   0  943  635  638 0
 924   4.302   8.525  56.547 0 U          8.530e+02  0.00e+00 -   0    0    0    0 0
 925   1.952   9.584  30.247 0 U         -5.867e+02  0.00e+00 -   0    0    0    0 0
 926   4.149   0.892  61.280 0 U          2.290e+03  0.00e+00 -   0    0    0    0 0
 927   1.858   1.454  38.550 0 U         -1.335e+03  0.00e+00 -   0  712  960  711 0
 928   1.454   1.847  27.256 0 U         -7.366e+02  0.00e+00 -   0  960  712  955 0
 929   0.902   1.450  17.405 0 U         -6.051e+02  0.00e+00 -   0  958  960  957 0
 930   4.197   1.196  69.586 0 U          4.231e+03  0.00e+00 -   0  741  965  740 0
 931   4.197   4.308  69.586 0 U          1.024e+04  0.00e+00 -   0  741  739  740 0
 932   1.196   4.296  21.626 0 U         -2.905e+03  0.00e+00 -   0  965  739  964 0
 933   1.794   4.119  33.490 0 U         -8.730e+02  0.00e+00 -   0 1040 1029 1026 0
 934   1.794   1.399  33.490 0 U         -3.127e+03  0.00e+00 -   0 1040 1043 1026 0
 935   1.684   4.046  29.022 0 U         -6.969e+02  0.00e+00 -   0 1062  501  907 0
 936   4.350   8.129  55.927 0 U          1.401e+03  0.00e+00 -   0  749  770  748 0
 938   0.850   4.138  24.821 0 U         -1.085e+03  0.00e+00 -   0  901  433  898 0
 939   2.044   2.803  17.383 0 U         -1.928e+03  0.00e+00 -   0 1001  905 1002 0
 940   4.640   4.267  57.090 0 U          1.384e+03  0.00e+00 -   0  269  412  268 0
 941   4.411   2.122  55.731 0 U          2.156e+03  0.00e+00 -   0  724  727  723 0
 942   4.411   2.006  55.731 0 U          2.075e+03  0.00e+00 -   0    0    0    0 0
 943   3.010  -0.755  31.148 0 U         -3.415e+02  0.00e+00 -   0    0    0    0 0
 944   0.859   1.863  12.996 0 U         -1.083e+03  0.00e+00 -   0  959  712  956 0
 945   4.436   6.317  59.612 0 U          1.348e+03  0.00e+00 -   0  153  997  152 0
 946   4.436   1.443  59.544 0 U          8.743e+02  0.00e+00 -   0  153  164  152 0
 948   3.801   4.996  50.257 0 U          5.942e+02  0.00e+00 -   0  890  388  887 0
 949   2.256   1.443  36.004 0 U         -5.441e+02  0.00e+00 -   0  884  164  883 0
 950   5.005   0.741  62.680 0 U          7.316e+02  0.00e+00 -   0  388  893  387 0
 951   3.211   1.678  39.645 0 U         -6.059e+02  0.00e+00 -   0  471 1015  470 0
 952   1.701   3.209  32.844 0 U         -7.551e+02  0.00e+00 -   0 1015  471   30 0
 953   4.289   7.710  45.405 0 U         -6.202e+02  0.00e+00 -   0  370  356  369 0
 954   3.629   1.235  51.710 0 U          6.099e+02  0.00e+00 -   0  935 1013  933 0
 955   2.042   7.476  29.080 0 U         -6.232e+02  0.00e+00 -   0  882  971  377 0
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1 H  1 all  . 9000.9 . . . 19312 2 
      2 H  1 all  . 9000.9 . . . 19312 2 
      3 C 13 cali . 7204   . . . 19312 2 

   stop_

save_