#########################
    #  Spectral peak lists  #
    #########################

save_spectral_peaks_1D_1H_set01
   _Spectral_peak_list.Sf_category                    spectral_peak_list
   _Spectral_peak_list.Sf_framecode                   spectral_peaks_1D_1H_set01
   _Spectral_peak_list.Entry_ID                       bmse001111
   _Spectral_peak_list.ID                             1
   _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                  1
   _Spectral_peak_list.Experiment_name                '1D 1H'
   _Spectral_peak_list.Number_of_spectral_dimensions  1
   _Spectral_peak_list.Details                        'F1: 1H'

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

     1   H   1   'Full H'   16.0307   ppm   bmse001111   1    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     1   $software_topspin   bmse001111   1    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1     bmse001111   1    
     2     bmse001111   1    
     3     bmse001111   1    
     4     bmse001111   1    
     5     bmse001111   1    
     6     bmse001111   1    
     7     bmse001111   1    
     8     bmse001111   1    
     9     bmse001111   1    
     10    bmse001111   1    
     11    bmse001111   1    
     12    bmse001111   1    
     13    bmse001111   1    
     14    bmse001111   1    
     15    bmse001111   1    
     16    bmse001111   1    
     17    bmse001111   1    
     18    bmse001111   1    
     19    bmse001111   1    
     20    bmse001111   1    
     21    bmse001111   1    
     22    bmse001111   1    
     23    bmse001111   1    
     24    bmse001111   1    
     25    bmse001111   1    
     26    bmse001111   1    
     27    bmse001111   1    
     28    bmse001111   1    
     29    bmse001111   1    
     30    bmse001111   1    
     31    bmse001111   1    
     32    bmse001111   1    
     33    bmse001111   1    
     34    bmse001111   1    
     35    bmse001111   1    
     36    bmse001111   1    
     37    bmse001111   1    
     38    bmse001111   1    
     39    bmse001111   1    
     40    bmse001111   1    
     41    bmse001111   1    
     42    bmse001111   1    
     43    bmse001111   1    
     44    bmse001111   1    
     45    bmse001111   1    
     46    bmse001111   1    
     47    bmse001111   1    
     48    bmse001111   1    
     49    bmse001111   1    
     50    bmse001111   1    
     51    bmse001111   1    
     52    bmse001111   1    
     53    bmse001111   1    
     54    bmse001111   1    
     55    bmse001111   1    
     56    bmse001111   1    
     57    bmse001111   1    
     58    bmse001111   1    
     59    bmse001111   1    
     60    bmse001111   1    
     61    bmse001111   1    
     62    bmse001111   1    
     63    bmse001111   1    
     64    bmse001111   1    
     65    bmse001111   1    
     66    bmse001111   1    
     67    bmse001111   1    
     68    bmse001111   1    
     69    bmse001111   1    
     70    bmse001111   1    
     71    bmse001111   1    
     72    bmse001111   1    
     73    bmse001111   1    
     74    bmse001111   1    
     75    bmse001111   1    
     76    bmse001111   1    
     77    bmse001111   1    
     78    bmse001111   1    
     79    bmse001111   1    
     80    bmse001111   1    
     81    bmse001111   1    
     82    bmse001111   1    
     83    bmse001111   1    
     84    bmse001111   1    
     85    bmse001111   1    
     86    bmse001111   1    
     87    bmse001111   1    
     88    bmse001111   1    
     89    bmse001111   1    
     90    bmse001111   1    
     91    bmse001111   1    
     92    bmse001111   1    
     93    bmse001111   1    
     94    bmse001111   1    
     95    bmse001111   1    
     96    bmse001111   1    
     97    bmse001111   1    
     98    bmse001111   1    
     99    bmse001111   1    
     100   bmse001111   1    
     101   bmse001111   1    
     102   bmse001111   1    
     103   bmse001111   1    
     104   bmse001111   1    
     105   bmse001111   1    
     106   bmse001111   1    
     107   bmse001111   1    
     108   bmse001111   1    
     109   bmse001111   1    
     110   bmse001111   1    
     111   bmse001111   1    
     112   bmse001111   1    
     113   bmse001111   1    
     114   bmse001111   1    
     115   bmse001111   1    
     116   bmse001111   1    
     117   bmse001111   1    
     118   bmse001111   1    
     119   bmse001111   1    
     120   bmse001111   1    
     121   bmse001111   1    

   stop_

   loop_
      _Spectral_transition_general_char.Spectral_transition_ID
      _Spectral_transition_general_char.Intensity_val
      _Spectral_transition_general_char.Measurement_method
      _Spectral_transition_general_char.Entry_ID
      _Spectral_transition_general_char.Spectral_peak_list_ID

     1     0.88    'relative height'   bmse001111   1    
     2     0.83    'relative height'   bmse001111   1    
     3     0.89    'relative height'   bmse001111   1    
     4     0.65    'relative height'   bmse001111   1    
     5     0.18    'relative height'   bmse001111   1    
     6     0.32    'relative height'   bmse001111   1    
     7     0.20    'relative height'   bmse001111   1    
     8     0.23    'relative height'   bmse001111   1    
     9     0.42    'relative height'   bmse001111   1    
     10    0.52    'relative height'   bmse001111   1    
     11    0.53    'relative height'   bmse001111   1    
     12    0.43    'relative height'   bmse001111   1    
     13    0.25    'relative height'   bmse001111   1    
     14    0.27    'relative height'   bmse001111   1    
     15    0.32    'relative height'   bmse001111   1    
     16    0.32    'relative height'   bmse001111   1    
     17    0.26    'relative height'   bmse001111   1    
     18    0.25    'relative height'   bmse001111   1    
     19    0.40    'relative height'   bmse001111   1    
     20    0.24    'relative height'   bmse001111   1    
     21    0.43    'relative height'   bmse001111   1    
     22    0.78    'relative height'   bmse001111   1    
     23    0.46    'relative height'   bmse001111   1    
     24    0.25    'relative height'   bmse001111   1    
     25    0.43    'relative height'   bmse001111   1    
     26    0.24    'relative height'   bmse001111   1    
     27    0.74    'relative height'   bmse001111   1    
     28    0.87    'relative height'   bmse001111   1    
     29    0.88    'relative height'   bmse001111   1    
     30    0.77    'relative height'   bmse001111   1    
     31    0.64    'relative height'   bmse001111   1    
     32    0.76    'relative height'   bmse001111   1    
     33    0.79    'relative height'   bmse001111   1    
     34    0.73    'relative height'   bmse001111   1    
     35    0.33    'relative height'   bmse001111   1    
     36    0.32    'relative height'   bmse001111   1    
     37    0.32    'relative height'   bmse001111   1    
     38    0.37    'relative height'   bmse001111   1    
     39    0.46    'relative height'   bmse001111   1    
     40    0.52    'relative height'   bmse001111   1    
     41    0.47    'relative height'   bmse001111   1    
     42    0.46    'relative height'   bmse001111   1    
     43    0.44    'relative height'   bmse001111   1    
     44    0.33    'relative height'   bmse001111   1    
     45    0.76    'relative height'   bmse001111   1    
     46    0.67    'relative height'   bmse001111   1    
     47    0.28    'relative height'   bmse001111   1    
     48    0.38    'relative height'   bmse001111   1    
     49    0.41    'relative height'   bmse001111   1    
     50    0.37    'relative height'   bmse001111   1    
     51    0.66    'relative height'   bmse001111   1    
     52    0.98    'relative height'   bmse001111   1    
     53    0.64    'relative height'   bmse001111   1    
     54    0.71    'relative height'   bmse001111   1    
     55    0.99    'relative height'   bmse001111   1    
     56    0.66    'relative height'   bmse001111   1    
     57    0.27    'relative height'   bmse001111   1    
     58    0.53    'relative height'   bmse001111   1    
     59    0.60    'relative height'   bmse001111   1    
     60    0.59    'relative height'   bmse001111   1    
     61    0.52    'relative height'   bmse001111   1    
     62    0.52    'relative height'   bmse001111   1    
     63    0.66    'relative height'   bmse001111   1    
     64    1.31    'relative height'   bmse001111   1    
     65    0.68    'relative height'   bmse001111   1    
     66    0.64    'relative height'   bmse001111   1    
     67    0.48    'relative height'   bmse001111   1    
     68    8.72    'relative height'   bmse001111   1    
     69    0.31    'relative height'   bmse001111   1    
     70    0.27    'relative height'   bmse001111   1    
     71    0.35    'relative height'   bmse001111   1    
     72    0.18    'relative height'   bmse001111   1    
     73    0.62    'relative height'   bmse001111   1    
     74    0.18    'relative height'   bmse001111   1    
     75    0.17    'relative height'   bmse001111   1    
     76    0.20    'relative height'   bmse001111   1    
     77    0.22    'relative height'   bmse001111   1    
     78    0.36    'relative height'   bmse001111   1    
     79    0.41    'relative height'   bmse001111   1    
     80    1.44    'relative height'   bmse001111   1    
     81    1.23    'relative height'   bmse001111   1    
     82    2.25    'relative height'   bmse001111   1    
     83    1.87    'relative height'   bmse001111   1    
     84    1.56    'relative height'   bmse001111   1    
     85    1.61    'relative height'   bmse001111   1    
     86    0.69    'relative height'   bmse001111   1    
     87    0.20    'relative height'   bmse001111   1    
     88    0.21    'relative height'   bmse001111   1    
     89    0.19    'relative height'   bmse001111   1    
     90    0.23    'relative height'   bmse001111   1    
     91    0.47    'relative height'   bmse001111   1    
     92    0.35    'relative height'   bmse001111   1    
     93    0.39    'relative height'   bmse001111   1    
     94    0.41    'relative height'   bmse001111   1    
     95    0.81    'relative height'   bmse001111   1    
     96    0.80    'relative height'   bmse001111   1    
     97    0.76    'relative height'   bmse001111   1    
     98    0.58    'relative height'   bmse001111   1    
     99    0.72    'relative height'   bmse001111   1    
     100   0.34    'relative height'   bmse001111   1    
     101   0.34    'relative height'   bmse001111   1    
     102   0.24    'relative height'   bmse001111   1    
     103   0.26    'relative height'   bmse001111   1    
     104   1.11    'relative height'   bmse001111   1    
     105   0.24    'relative height'   bmse001111   1    
     106   1.87    'relative height'   bmse001111   1    
     107   15.00   'relative height'   bmse001111   1    
     108   0.21    'relative height'   bmse001111   1    
     109   0.20    'relative height'   bmse001111   1    
     110   0.28    'relative height'   bmse001111   1    
     111   5.26    'relative height'   bmse001111   1    
     112   2.84    'relative height'   bmse001111   1    
     113   4.51    'relative height'   bmse001111   1    
     114   0.31    'relative height'   bmse001111   1    
     115   0.37    'relative height'   bmse001111   1    
     116   0.25    'relative height'   bmse001111   1    
     117   0.19    'relative height'   bmse001111   1    
     118   0.83    'relative height'   bmse001111   1    
     119   0.27    'relative height'   bmse001111   1    
     120   0.23    'relative height'   bmse001111   1    
     121   0.17    'relative height'   bmse001111   1    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1     1   5.3378   bmse001111   1    
     2     1   5.3328   bmse001111   1    
     3     1   5.3277   bmse001111   1    
     4     1   4.6814   bmse001111   1    
     5     1   2.3515   bmse001111   1    
     6     1   2.3364   bmse001111   1    
     7     1   2.3271   bmse001111   1    
     8     1   2.3187   bmse001111   1    
     9     1   2.3124   bmse001111   1    
     10    1   2.3086   bmse001111   1    
     11    1   2.3030   bmse001111   1    
     12    1   2.2993   bmse001111   1    
     13    1   2.2929   bmse001111   1    
     14    1   2.2847   bmse001111   1    
     15    1   2.2809   bmse001111   1    
     16    1   2.2752   bmse001111   1    
     17    1   2.2715   bmse001111   1    
     18    1   2.2640   bmse001111   1    
     19    1   2.2564   bmse001111   1    
     20    1   2.2501   bmse001111   1    
     21    1   2.2374   bmse001111   1    
     22    1   2.2314   bmse001111   1    
     23    1   2.2252   bmse001111   1    
     24    1   2.2126   bmse001111   1    
     25    1   2.2065   bmse001111   1    
     26    1   2.2004   bmse001111   1    
     27    1   2.1049   bmse001111   1    
     28    1   2.0997   bmse001111   1    
     29    1   2.0967   bmse001111   1    
     30    1   2.0915   bmse001111   1    
     31    1   2.0770   bmse001111   1    
     32    1   2.0716   bmse001111   1    
     33    1   2.0688   bmse001111   1    
     34    1   2.0635   bmse001111   1    
     35    1   2.0535   bmse001111   1    
     36    1   2.0496   bmse001111   1    
     37    1   2.0391   bmse001111   1    
     38    1   2.0327   bmse001111   1    
     39    1   2.0251   bmse001111   1    
     40    1   2.0191   bmse001111   1    
     41    1   2.0141   bmse001111   1    
     42    1   2.0041   bmse001111   1    
     43    1   1.9995   bmse001111   1    
     44    1   1.9931   bmse001111   1    
     45    1   1.9513   bmse001111   1    
     46    1   1.9458   bmse001111   1    
     47    1   1.9253   bmse001111   1    
     48    1   1.9197   bmse001111   1    
     49    1   1.9157   bmse001111   1    
     50    1   1.9102   bmse001111   1    
     51    1   1.8883   bmse001111   1    
     52    1   1.8832   bmse001111   1    
     53    1   1.8778   bmse001111   1    
     54    1   1.8629   bmse001111   1    
     55    1   1.8579   bmse001111   1    
     56    1   1.8519   bmse001111   1    
     57    1   1.7900   bmse001111   1    
     58    1   1.7848   bmse001111   1    
     59    1   1.7789   bmse001111   1    
     60    1   1.7759   bmse001111   1    
     61    1   1.7699   bmse001111   1    
     62    1   1.7650   bmse001111   1    
     63    1   1.7600   bmse001111   1    
     64    1   1.7538   bmse001111   1    
     65    1   1.7452   bmse001111   1    
     66    1   1.7398   bmse001111   1    
     67    1   1.7284   bmse001111   1    
     68    1   1.7134   bmse001111   1    
     69    1   1.6852   bmse001111   1    
     70    1   1.6713   bmse001111   1    
     71    1   1.6536   bmse001111   1    
     72    1   1.6380   bmse001111   1    
     73    1   1.6077   bmse001111   1    
     74    1   1.5802   bmse001111   1    
     75    1   1.5736   bmse001111   1    
     76    1   1.5612   bmse001111   1    
     77    1   1.5543   bmse001111   1    
     78    1   1.4506   bmse001111   1    
     79    1   1.4411   bmse001111   1    
     80    1   1.4270   bmse001111   1    
     81    1   1.4233   bmse001111   1    
     82    1   1.4161   bmse001111   1    
     83    1   1.4120   bmse001111   1    
     84    1   1.4069   bmse001111   1    
     85    1   1.4043   bmse001111   1    
     86    1   1.3935   bmse001111   1    
     87    1   1.3608   bmse001111   1    
     88    1   1.3498   bmse001111   1    
     89    1   1.3250   bmse001111   1    
     90    1   1.3097   bmse001111   1    
     91    1   1.2788   bmse001111   1    
     92    1   1.2587   bmse001111   1    
     93    1   1.2303   bmse001111   1    
     94    1   1.2219   bmse001111   1    
     95    1   1.2055   bmse001111   1    
     96    1   1.1972   bmse001111   1    
     97    1   1.1781   bmse001111   1    
     98    1   1.1725   bmse001111   1    
     99    1   1.1697   bmse001111   1    
     100   1   1.1534   bmse001111   1    
     101   1   1.1449   bmse001111   1    
     102   1   1.1365   bmse001111   1    
     103   1   1.0659   bmse001111   1    
     104   1   0.9982   bmse001111   1    
     105   1   0.9882   bmse001111   1    
     106   1   0.9728   bmse001111   1    
     107   1   0.9491   bmse001111   1    
     108   1   0.9302   bmse001111   1    
     109   1   0.9164   bmse001111   1    
     110   1   0.9013   bmse001111   1    
     111   1   0.8807   bmse001111   1    
     112   1   0.8740   bmse001111   1    
     113   1   0.8681   bmse001111   1    
     114   1   0.8510   bmse001111   1    
     115   1   0.8443   bmse001111   1    
     116   1   0.8375   bmse001111   1    
     117   1   0.8220   bmse001111   1    
     118   1   0.8000   bmse001111   1    
     119   1   0.7918   bmse001111   1    
     120   1   0.7780   bmse001111   1    
     121   1   0.7566   bmse001111   1    

   stop_

save_

    #########################
    #  Spectral peak lists  #
    #########################

save_spectral_peaks_1D_13C_set01
   _Spectral_peak_list.Sf_category                    spectral_peak_list
   _Spectral_peak_list.Sf_framecode                   spectral_peaks_1D_13C_set01
   _Spectral_peak_list.Entry_ID                       bmse001111
   _Spectral_peak_list.ID                             3
   _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                  3
   _Spectral_peak_list.Experiment_name                '1D 13C'
   _Spectral_peak_list.Number_of_spectral_dimensions  1
   _Spectral_peak_list.Details                        'F1: 13C'

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

     1   C   13   'Full C'   236.7742   ppm   bmse001111   3    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     1   $software_topspin   bmse001111   3    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1    bmse001111   3    
     2    bmse001111   3    
     3    bmse001111   3    
     4    bmse001111   3    
     5    bmse001111   3    
     6    bmse001111   3    
     7    bmse001111   3    
     8    bmse001111   3    
     9    bmse001111   3    
     10   bmse001111   3    
     11   bmse001111   3    
     12   bmse001111   3    
     13   bmse001111   3    
     14   bmse001111   3    
     15   bmse001111   3    

   stop_

   loop_
      _Spectral_transition_general_char.Spectral_transition_ID
      _Spectral_transition_general_char.Intensity_val
      _Spectral_transition_general_char.Measurement_method
      _Spectral_transition_general_char.Entry_ID
      _Spectral_transition_general_char.Spectral_peak_list_ID

     1    2.09   'relative height'   bmse001111   3    
     2    1.56   'relative height'   bmse001111   3    
     3    4.19   'relative height'   bmse001111   3    
     4    3.60   'relative height'   bmse001111   3    
     5    3.16   'relative height'   bmse001111   3    
     6    5.42   'relative height'   bmse001111   3    
     7    5.02   'relative height'   bmse001111   3    
     8    3.29   'relative height'   bmse001111   3    
     9    3.24   'relative height'   bmse001111   3    
     10   5.02   'relative height'   bmse001111   3    
     11   3.89   'relative height'   bmse001111   3    
     12   4.99   'relative height'   bmse001111   3    
     13   3.96   'relative height'   bmse001111   3    
     14   3.01   'relative height'   bmse001111   3    
     15   3.05   'relative height'   bmse001111   3    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1    1   150.8021   bmse001111   3    
     2    1   143.1139   bmse001111   3    
     3    1   120.1185   bmse001111   3    
     4    1   108.2739   bmse001111   3    
     5    1   44.9135    bmse001111   3    
     6    1   40.9813    bmse001111   3    
     7    1   40.9018    bmse001111   3    
     8    1   37.8233    bmse001111   3    
     9    1   33.1105    bmse001111   3    
     10   1   32.6780    bmse001111   3    
     11   1   27.1349    bmse001111   3    
     12   1   25.8924    bmse001111   3    
     13   1   20.8557    bmse001111   3    
     14   1   18.4147    bmse001111   3    
     15   1   15.6616    bmse001111   3    

   stop_

   loop_
      _Assigned_spectral_transition.Spectral_transition_ID
      _Assigned_spectral_transition.Spectral_dim_ID
      _Assigned_spectral_transition.Assembly_atom_ID
      _Assigned_spectral_transition.Val
      _Assigned_spectral_transition.Assigned_chem_shift_list_ID
      _Assigned_spectral_transition.Atom_chem_shift_ID
      _Assigned_spectral_transition.Entity_assembly_ID
      _Assigned_spectral_transition.Entity_ID
      _Assigned_spectral_transition.Comp_index_ID
      _Assigned_spectral_transition.Comp_ID
      _Assigned_spectral_transition.Atom_ID
      _Assigned_spectral_transition.Entry_ID
      _Assigned_spectral_transition.Spectral_peak_list_ID

     1    1   13   150.8021   1   13   1   1   1   BMET001111   C11   bmse001111   3    
     10   1   6    32.6780    1   6    1   1   1   BMET001111   C9    bmse001111   3    
     11   1   7    27.1349    1   7    1   1   1   BMET001111   C6    bmse001111   3    
     12   1   10   25.8924    1   10   1   1   1   BMET001111   C5    bmse001111   3    
     13   1   14   20.8557    1   14   1   1   1   BMET001111   C2    bmse001111   3    
     14   1   9    18.4147    1   9    1   1   1   BMET001111   C4    bmse001111   3    
     15   1   12   15.6616    1   12   1   1   1   BMET001111   C3    bmse001111   3    
     2    1   4    143.1139   1   4    1   1   1   BMET001111   C14   bmse001111   3    
     3    1   11   120.1185   1   11   1   1   1   BMET001111   C7    bmse001111   3    
     4    1   15   108.2739   1   15   1   1   1   BMET001111   C1    bmse001111   3    
     5    1   3    44.9135    1   3    1   1   1   BMET001111   C10   bmse001111   3    
     6    1   2    40.9813    1   2    1   1   1   BMET001111   C12   bmse001111   3    
     7    1   5    40.9018    1   5    1   1   1   BMET001111   C13   bmse001111   3    
     8    1   1    37.8233    1   1    1   1   1   BMET001111   C15   bmse001111   3    
     9    1   8    33.1105    1   8    1   1   1   BMET001111   C8    bmse001111   3    

   stop_

save_

    #########################
    #  Spectral peak lists  #
    #########################

save_spectral_peaks_1D_DEPT90_set01
   _Spectral_peak_list.Sf_category                    spectral_peak_list
   _Spectral_peak_list.Sf_framecode                   spectral_peaks_1D_DEPT90_set01
   _Spectral_peak_list.Entry_ID                       bmse001111
   _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                  4
   _Spectral_peak_list.Experiment_name                '1D DEPT90'
   _Spectral_peak_list.Number_of_spectral_dimensions  1
   _Spectral_peak_list.Details                        'F1: 13C'

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

     1   C   13   'Full C'   236.7742   ppm   bmse001111   4    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     1   $software_topspin   bmse001111   4    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1   bmse001111   4    
     2   bmse001111   4    
     3   bmse001111   4    

   stop_

   loop_
      _Spectral_transition_general_char.Spectral_transition_ID
      _Spectral_transition_general_char.Intensity_val
      _Spectral_transition_general_char.Measurement_method
      _Spectral_transition_general_char.Entry_ID
      _Spectral_transition_general_char.Spectral_peak_list_ID

     1   15.00   'relative height'   bmse001111   4    
     2   10.48   'relative height'   bmse001111   4    
     3   9.44    'relative height'   bmse001111   4    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1   1   120.1363   bmse001111   4    
     2   1   40.9993    bmse001111   4    
     3   1   40.9200    bmse001111   4    

   stop_

save_

    #########################
    #  Spectral peak lists  #
    #########################

save_spectral_peaks_1D_DEPT135_set01
   _Spectral_peak_list.Sf_category                    spectral_peak_list
   _Spectral_peak_list.Sf_framecode                   spectral_peaks_1D_DEPT135_set01
   _Spectral_peak_list.Entry_ID                       bmse001111
   _Spectral_peak_list.ID                             5
   _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                  5
   _Spectral_peak_list.Experiment_name                '1D DEPT135'
   _Spectral_peak_list.Number_of_spectral_dimensions  1
   _Spectral_peak_list.Details                        'F1: 13C'

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

     1   C   13   'Full C'   236.7742   ppm   bmse001111   5    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     1   $software_topspin   bmse001111   5    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1    bmse001111   5    
     2    bmse001111   5    
     3    bmse001111   5    
     4    bmse001111   5    
     5    bmse001111   5    
     6    bmse001111   5    
     7    bmse001111   5    
     8    bmse001111   5    
     9    bmse001111   5    
     10   bmse001111   5    
     11   bmse001111   5    
     12   bmse001111   5    

   stop_

   loop_
      _Spectral_transition_general_char.Spectral_transition_ID
      _Spectral_transition_general_char.Intensity_val
      _Spectral_transition_general_char.Measurement_method
      _Spectral_transition_general_char.Entry_ID
      _Spectral_transition_general_char.Spectral_peak_list_ID

     1    15.00    'relative height'   bmse001111   5    
     2    14.54    'relative height'   bmse001111   5    
     3    14.10    'relative height'   bmse001111   5    
     4    0.25     'relative height'   bmse001111   5    
     5    0.58     'relative height'   bmse001111   5    
     6    0.66     'relative height'   bmse001111   5    
     7    -19.12   'relative height'   bmse001111   5    
     8    -19.56   'relative height'   bmse001111   5    
     9    -11.32   'relative height'   bmse001111   5    
     10   -17.31   'relative height'   bmse001111   5    
     11   -19.03   'relative height'   bmse001111   5    
     12   -19.24   'relative height'   bmse001111   5    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1    1   120.1185   bmse001111   5    
     2    1   40.9811    bmse001111   5    
     3    1   40.9050    bmse001111   5    
     4    1   20.8726    bmse001111   5    
     5    1   18.4357    bmse001111   5    
     6    1   15.6803    bmse001111   5    
     7    1   25.8932    bmse001111   5    
     8    1   108.2746   bmse001111   5    
     9    1   44.9201    bmse001111   5    
     10   1   33.1121    bmse001111   5    
     11   1   32.6785    bmse001111   5    
     12   1   27.1357    bmse001111   5    

   stop_

save_

    #########################
    #  Spectral peak lists  #
    #########################

save_spectral_peaks_2D_1H_13C_HSQC_set01
   _Spectral_peak_list.Sf_category                    spectral_peak_list
   _Spectral_peak_list.Sf_framecode                   spectral_peaks_2D_1H_13C_HSQC_set01
   _Spectral_peak_list.Entry_ID                       bmse001111
   _Spectral_peak_list.ID                             6
   _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                  6
   _Spectral_peak_list.Experiment_name                '2D 1H-13C HSQC'
   _Spectral_peak_list.Number_of_spectral_dimensions  2
   _Spectral_peak_list.Details                        'F1: 13C, F2: 1H'

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

     1   C   13   'Full C'   165.6393   ppm   bmse001111   6    
     2   H   1    'Full H'   13.3375    ppm   bmse001111   6    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     1   $software_topspin   bmse001111   6    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1    bmse001111   6    
     2    bmse001111   6    
     3    bmse001111   6    
     4    bmse001111   6    
     5    bmse001111   6    
     6    bmse001111   6    
     7    bmse001111   6    
     8    bmse001111   6    
     9    bmse001111   6    
     10   bmse001111   6    
     11   bmse001111   6    
     12   bmse001111   6    
     13   bmse001111   6    
     14   bmse001111   6    
     15   bmse001111   6    
     16   bmse001111   6    

   stop_

   loop_
      _Spectral_transition_general_char.Spectral_transition_ID
      _Spectral_transition_general_char.Intensity_val
      _Spectral_transition_general_char.Measurement_method
      _Spectral_transition_general_char.Entry_ID
      _Spectral_transition_general_char.Spectral_peak_list_ID

     1    78937.79    'absolute height'   bmse001111   6    
     2    257644.65   'absolute height'   bmse001111   6    
     3    81161.68    'absolute height'   bmse001111   6    
     4    91518.71    'absolute height'   bmse001111   6    
     5    86490.37    'absolute height'   bmse001111   6    
     6    64499.80    'absolute height'   bmse001111   6    
     7    52417.20    'absolute height'   bmse001111   6    
     8    82909.82    'absolute height'   bmse001111   6    
     9    90945.53    'absolute height'   bmse001111   6    
     10   74932.31    'absolute height'   bmse001111   6    
     11   155639.67   'absolute height'   bmse001111   6    
     12   63144.74    'absolute height'   bmse001111   6    
     13   50806.60    'absolute height'   bmse001111   6    
     14   211323.53   'absolute height'   bmse001111   6    
     15   206064.19   'absolute height'   bmse001111   6    
     16   324308.51   'absolute height'   bmse001111   6    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1    1   120.1081   bmse001111   6    
     1    2   5.3347     bmse001111   6    
     2    1   108.0119   bmse001111   6    
     2    2   4.6778     bmse001111   6    
     3    1   44.8612    bmse001111   6    
     3    2   0.9807     bmse001111   6    
     4    1   44.8612    bmse001111   6    
     4    2   1.8748     bmse001111   6    
     5    1   40.9790    bmse001111   6    
     5    2   1.4169     bmse001111   6    
     6    1   40.9790    bmse001111   6    
     6    2   2.2390     bmse001111   6    
     7    1   32.9771    bmse001111   6    
     7    2   1.1954     bmse001111   6    
     8    1   32.9294    bmse001111   6    
     8    2   1.7759     bmse001111   6    
     9    1   32.5482    bmse001111   6    
     9    2   2.0855     bmse001111   6    
     10   1   32.5482    bmse001111   6    
     10   2   2.3091     bmse001111   6    
     11   1   27.1156    bmse001111   6    
     11   2   1.4147     bmse001111   6    
     12   1   25.8289    bmse001111   6    
     12   2   1.9436     bmse001111   6    
     13   1   25.8289    bmse001111   6    
     13   2   2.0296     bmse001111   6    
     14   1   20.7298    bmse001111   6    
     14   2   1.7157     bmse001111   6    
     15   1   18.3471    bmse001111   6    
     15   2   0.9589     bmse001111   6    
     16   1   15.4878    bmse001111   6    
     16   2   0.8729     bmse001111   6    

   stop_

save_