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

save_spectral_peaks_1D_1H
   _Spectral_peak_list.Sf_category                    spectral_peak_list
   _Spectral_peak_list.Sf_framecode                   spectral_peaks_1D_1H
   _Spectral_peak_list.Entry_ID                       bmse011336
   _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.Assigned_chem_shift_list_ID    1
   _Spectral_peak_list.Details                        'F1: 1H'

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Spectrometer_frequency
      _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   600.1728185   H   1   'Full H'   12.0157698570257   ppm   bmse011336   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   bmse011336   1    

   stop_

   loop_
      _Peak.ID
      _Peak.Entry_ID
      _Peak.Spectral_peak_list_ID

     1    bmse011336   1    
     2    bmse011336   1    
     3    bmse011336   1    
     4    bmse011336   1    
     5    bmse011336   1    
     6    bmse011336   1    
     8    bmse011336   1    
     9    bmse011336   1    
     10   bmse011336   1    

   stop_

   loop_
      _Peak_char.Peak_ID
      _Peak_char.Spectral_dim_ID
      _Peak_char.Chem_shift_val
      _Peak_char.Details
      _Peak_char.Entry_ID
      _Peak_char.Spectral_peak_list_ID

     1   1   7.1188   10,13_m      bmse011336   1    
     2   1   4.6500   SUP          bmse011336   1    
     3   1   3.3366   6_s          bmse011336   1    
     4   1   3.7533   16,17_t_Q2   bmse011336   1    
     5   1   2.2283   18_s         bmse011336   1    
     6   1   2.6981   11,12_dd     bmse011336   1    
     7   1   2.6032   DMSO         bmse011336   1    
     8   1   2.0386   14_s_Q1      bmse011336   1    
     9   1   7.0180   15_d_Q3      bmse011336   1    

   stop_

   loop_
      _Peak_coupling.ID
      _Peak_coupling.Peak_ID
      _Peak_coupling.Spectral_dim_ID
      _Peak_coupling.Coupling_val
      _Peak_coupling.Entry_ID
      _Peak_coupling.Spectral_peak_list_ID

     1    1   1   58.3081   bmse011336   1    
     2    2   1   0.0000    bmse011336   1    
     3    3   1   0.0000    bmse011336   1    
     4    4   1   4.6767    bmse011336   1    
     5    5   1   0.0000    bmse011336   1    
     6    6   1   4.4566    bmse011336   1    
     7    6   1   4.4566    bmse011336   1    
     8    7   1   1.8432    bmse011336   1    
     9    8   1   0.0000    bmse011336   1    
     10   9   1   7.3726    bmse011336   1    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1    bmse011336   1    
     2    bmse011336   1    
     3    bmse011336   1    
     4    bmse011336   1    
     5    bmse011336   1    
     6    bmse011336   1    
     7    bmse011336   1    
     8    bmse011336   1    
     9    bmse011336   1    
     10   bmse011336   1    
     11   bmse011336   1    
     12   bmse011336   1    
     13   bmse011336   1    
     14   bmse011336   1    
     15   bmse011336   1    
     16   bmse011336   1    
     17   bmse011336   1    
     18   bmse011336   1    
     19   bmse011336   1    
     20   bmse011336   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   7.1674   bmse011336   1    
     2    1   7.0703   bmse011336   1    
     3    1   4.6500   bmse011336   1    
     4    1   3.3366   bmse011336   1    
     5    1   3.7455   bmse011336   1    
     6    1   3.7534   bmse011336   1    
     7    1   3.7611   bmse011336   1    
     8    1   2.2283   bmse011336   1    
     9    1   2.7056   bmse011336   1    
     10   1   2.6982   bmse011336   1    
     11   1   2.6982   bmse011336   1    
     12   1   2.6907   bmse011336   1    
     13   1   2.5970   bmse011336   1    
     14   1   2.6001   bmse011336   1    
     15   1   2.6031   bmse011336   1    
     16   1   2.6062   bmse011336   1    
     17   1   2.6093   bmse011336   1    
     18   1   2.0386   bmse011336   1    
     19   1   7.0118   bmse011336   1    
     20   1   7.0241   bmse011336   1    

   stop_

save_