#########################
    #  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                        bmse001244
   _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.Experiment_class                .
   _Spectral_peak_list.Experiment_type                 .
   _Spectral_peak_list.Number_of_spectral_dimensions   1
   _Spectral_peak_list.Chemical_shift_list             .
   _Spectral_peak_list.Assigned_chem_shift_list_ID     1
   _Spectral_peak_list.Assigned_chem_shift_list_label  $chem_shift_set01
   _Spectral_peak_list.Details                         'F1: 1H'
   _Spectral_peak_list.Text_data_format                .
   _Spectral_peak_list.Text_data                       .

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

     1   .   .   H   1   'Full H'   .   .   16.03   ppm   .   .   .   .   .   .   bmse001244   1    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     3   $software_topspin   .   .   bmse001244   1    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Peak_ID
      _Spectral_transition.Figure_of_merit
      _Spectral_transition.Details
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1    .   .   .   bmse001244   1    
     2    .   .   .   bmse001244   1    
     3    .   .   .   bmse001244   1    
     4    .   .   .   bmse001244   1    
     5    .   .   .   bmse001244   1    
     6    .   .   .   bmse001244   1    
     7    .   .   .   bmse001244   1    
     8    .   .   .   bmse001244   1    
     9    .   .   .   bmse001244   1    
     10   .   .   .   bmse001244   1    
     11   .   .   .   bmse001244   1    
     12   .   .   .   bmse001244   1    
     13   .   .   .   bmse001244   1    

   stop_

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

     1    .   4.34    .   'relative height'   bmse001244   1    
     2    .   4.41    .   'relative height'   bmse001244   1    
     3    .   15.00   .   'relative height'   bmse001244   1    
     4    .   11.10   .   'relative height'   bmse001244   1    
     5    .   13.44   .   'relative height'   bmse001244   1    
     6    .   3.36    .   'relative height'   bmse001244   1    
     7    .   3.64    .   'relative height'   bmse001244   1    
     8    .   3.51    .   'relative height'   bmse001244   1    
     9    .   3.30    .   'relative height'   bmse001244   1    
     10   .   2.84    .   'relative height'   bmse001244   1    
     11   .   3.00    .   'relative height'   bmse001244   1    
     12   .   2.96    .   'relative height'   bmse001244   1    
     13   .   2.71    .   'relative height'   bmse001244   1    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Peak_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Chem_shift_val_err
      _Spectral_transition_char.Line_width_val
      _Spectral_transition_char.Line_width_val_err
      _Spectral_transition_char.Phase_val
      _Spectral_transition_char.Phase_val_err
      _Spectral_transition_char.Decay_rate_val
      _Spectral_transition_char.Decay_rate_val_err
      _Spectral_transition_char.Bounding_box_upper_val
      _Spectral_transition_char.Bounding_box_lower_val
      _Spectral_transition_char.Bounding_box_width_val
      _Spectral_transition_char.Derivation_method_ID
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1    .   1   7.7863   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     2    .   1   7.7826   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     3    .   1   7.6719   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     4    .   1   7.3860   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     5    .   1   7.3686   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     6    .   1   7.2000   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     7    .   1   7.1984   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     8    .   1   7.1951   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     9    .   1   7.1934   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     10   .   1   7.1826   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     11   .   1   7.1810   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     12   .   1   7.1776   .   .   .   .   .   .   .   .   .   .   .   bmse001244   1    
     13   .   1   7.1761   .   .   .   .   .   .   .   .   .   .   .   bmse001244   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                        bmse001244
   _Spectral_peak_list.ID                              2
   _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.Experiment_class                .
   _Spectral_peak_list.Experiment_type                 .
   _Spectral_peak_list.Number_of_spectral_dimensions   1
   _Spectral_peak_list.Chemical_shift_list             .
   _Spectral_peak_list.Assigned_chem_shift_list_ID     1
   _Spectral_peak_list.Assigned_chem_shift_list_label  $chem_shift_set01
   _Spectral_peak_list.Details                         'F1: 13C'
   _Spectral_peak_list.Text_data_format                .
   _Spectral_peak_list.Text_data                       .

   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   'Full C'   .   .   248.61   ppm   .   .   .   .   .   .   bmse001244   2    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     3   $software_topspin   .   .   bmse001244   2    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Peak_ID
      _Spectral_transition.Figure_of_merit
      _Spectral_transition.Details
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1   .   .   .   bmse001244   2    
     2   .   .   .   bmse001244   2    
     3   .   .   .   bmse001244   2    
     4   .   .   .   bmse001244   2    
     5   .   .   .   bmse001244   2    
     6   .   .   .   bmse001244   2    
     7   .   .   .   bmse001244   2    
     8   .   .   .   bmse001244   2    

   stop_

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

     1   .   2.52   .   'relative height'   bmse001244   2    
     2   .   2.32   .   'relative height'   bmse001244   2    
     3   .   0.57   .   'relative height'   bmse001244   2    
     4   .   1.23   .   'relative height'   bmse001244   2    
     5   .   0.46   .   'relative height'   bmse001244   2    
     6   .   1.68   .   'relative height'   bmse001244   2    
     7   .   2.83   .   'relative height'   bmse001244   2    
     8   .   1.72   .   'relative height'   bmse001244   2    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Peak_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Chem_shift_val_err
      _Spectral_transition_char.Line_width_val
      _Spectral_transition_char.Line_width_val_err
      _Spectral_transition_char.Phase_val
      _Spectral_transition_char.Phase_val_err
      _Spectral_transition_char.Decay_rate_val
      _Spectral_transition_char.Decay_rate_val_err
      _Spectral_transition_char.Bounding_box_upper_val
      _Spectral_transition_char.Bounding_box_lower_val
      _Spectral_transition_char.Bounding_box_width_val
      _Spectral_transition_char.Derivation_method_ID
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1   .   1   167.6670   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     2   .   1   151.9149   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     3   .   1   141.9911   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     4   .   1   131.8503   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     5   .   1   119.1884   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     6   .   1   118.9056   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     7   .   1   117.8755   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    
     8   .   1   114.3877   .   .   .   .   .   .   .   .   .   .   .   bmse001244   2    

   stop_

   loop_
      _Assigned_spectral_transition.Spectral_transition_ID
      _Assigned_spectral_transition.Spectral_dim_ID
      _Assigned_spectral_transition.Contribution_fractional_val
      _Assigned_spectral_transition.Peak_ID
      _Assigned_spectral_transition.Set_ID
      _Assigned_spectral_transition.Magnetization_linkage_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.Figure_of_merit
      _Assigned_spectral_transition.Resonance_ID
      _Assigned_spectral_transition.Details
      _Assigned_spectral_transition.Entry_ID
      _Assigned_spectral_transition.Spectral_peak_list_ID

     1   1   .   .   .   .   8   167.6670   1   .   1   1   1   BMET001244   C8   .   .   .   bmse001244   2    
     2   1   .   .   .   .   4   151.9149   1   .   1   1   1   BMET001244   C4   .   .   .   bmse001244   2    
     3   1   .   .   .   .   6   141.9911   1   .   1   1   1   BMET001244   C6   .   .   .   bmse001244   2    
     4   1   .   .   .   .   5   131.8503   1   .   1   1   1   BMET001244   C5   .   .   .   bmse001244   2    
     5   1   .   .   .   .   2   119.1884   1   .   1   1   1   BMET001244   C2   .   .   .   bmse001244   2    
     6   1   .   .   .   .   7   118.9056   1   .   1   1   1   BMET001244   C7   .   .   .   bmse001244   2    
     7   1   .   .   .   .   1   117.8755   1   .   1   1   1   BMET001244   C1   .   .   .   bmse001244   2    
     8   1   .   .   .   .   3   114.3877   1   .   1   1   1   BMET001244   C3   .   .   .   bmse001244   2    

   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                        bmse001244
   _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                   4
   _Spectral_peak_list.Experiment_name                 '1D DEPT90'
   _Spectral_peak_list.Experiment_class                .
   _Spectral_peak_list.Experiment_type                 .
   _Spectral_peak_list.Number_of_spectral_dimensions   1
   _Spectral_peak_list.Chemical_shift_list             .
   _Spectral_peak_list.Assigned_chem_shift_list_ID     1
   _Spectral_peak_list.Assigned_chem_shift_list_label  $chem_shift_set01
   _Spectral_peak_list.Details                         'F1: 13C'
   _Spectral_peak_list.Text_data_format                .
   _Spectral_peak_list.Text_data                       .

   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   'Full C'   .   .   236.77   ppm   .   .   .   .   .   .   bmse001244   3    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     3   $software_topspin   .   .   bmse001244   3    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Peak_ID
      _Spectral_transition.Figure_of_merit
      _Spectral_transition.Details
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1   .   .   .   bmse001244   3    
     2   .   .   .   bmse001244   3    
     3   .   .   .   bmse001244   3    

   stop_

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

     1   .   9.25    .   'relative height'   bmse001244   3    
     2   .   15.00   .   'relative height'   bmse001244   3    
     3   .   9.19    .   'relative height'   bmse001244   3    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Peak_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Chem_shift_val_err
      _Spectral_transition_char.Line_width_val
      _Spectral_transition_char.Line_width_val_err
      _Spectral_transition_char.Phase_val
      _Spectral_transition_char.Phase_val_err
      _Spectral_transition_char.Decay_rate_val
      _Spectral_transition_char.Decay_rate_val_err
      _Spectral_transition_char.Bounding_box_upper_val
      _Spectral_transition_char.Bounding_box_lower_val
      _Spectral_transition_char.Bounding_box_width_val
      _Spectral_transition_char.Derivation_method_ID
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1   .   1   118.7312   .   .   .   .   .   .   .   .   .   .   .   bmse001244   3    
     2   .   1   117.7011   .   .   .   .   .   .   .   .   .   .   .   bmse001244   3    
     3   .   1   114.2135   .   .   .   .   .   .   .   .   .   .   .   bmse001244   3    

   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                        bmse001244
   _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                   5
   _Spectral_peak_list.Experiment_name                 '1D DEPT135'
   _Spectral_peak_list.Experiment_class                .
   _Spectral_peak_list.Experiment_type                 .
   _Spectral_peak_list.Number_of_spectral_dimensions   1
   _Spectral_peak_list.Chemical_shift_list             .
   _Spectral_peak_list.Assigned_chem_shift_list_ID     1
   _Spectral_peak_list.Assigned_chem_shift_list_label  $chem_shift_set01
   _Spectral_peak_list.Details                         'F1: 13C'
   _Spectral_peak_list.Text_data_format                .
   _Spectral_peak_list.Text_data                       .

   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   'Full C'   .   .   236.77   ppm   .   .   .   .   .   .   bmse001244   4    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     3   $software_topspin   .   .   bmse001244   4    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Peak_ID
      _Spectral_transition.Figure_of_merit
      _Spectral_transition.Details
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1   .   .   .   bmse001244   4    
     2   .   .   .   bmse001244   4    
     3   .   .   .   bmse001244   4    

   stop_

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

     1   .   9.73    .   'relative height'   bmse001244   4    
     2   .   15.00   .   'relative height'   bmse001244   4    
     3   .   9.62    .   'relative height'   bmse001244   4    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Peak_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Chem_shift_val_err
      _Spectral_transition_char.Line_width_val
      _Spectral_transition_char.Line_width_val_err
      _Spectral_transition_char.Phase_val
      _Spectral_transition_char.Phase_val_err
      _Spectral_transition_char.Decay_rate_val
      _Spectral_transition_char.Decay_rate_val_err
      _Spectral_transition_char.Bounding_box_upper_val
      _Spectral_transition_char.Bounding_box_lower_val
      _Spectral_transition_char.Bounding_box_width_val
      _Spectral_transition_char.Derivation_method_ID
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1   .   1   118.7306   .   .   .   .   .   .   .   .   .   .   .   bmse001244   4    
     2   .   1   117.7006   .   .   .   .   .   .   .   .   .   .   .   bmse001244   4    
     3   .   1   114.2130   .   .   .   .   .   .   .   .   .   .   .   bmse001244   4    

   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                        bmse001244
   _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                   6
   _Spectral_peak_list.Experiment_name                 '2D 1H-13C HSQC'
   _Spectral_peak_list.Experiment_class                .
   _Spectral_peak_list.Experiment_type                 .
   _Spectral_peak_list.Number_of_spectral_dimensions   2
   _Spectral_peak_list.Chemical_shift_list             .
   _Spectral_peak_list.Assigned_chem_shift_list_ID     1
   _Spectral_peak_list.Assigned_chem_shift_list_label  $chem_shift_set01
   _Spectral_peak_list.Details                         'F1: 13C, F2: 1H'
   _Spectral_peak_list.Text_data_format                .
   _Spectral_peak_list.Text_data                       .

   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   'Full C'   .   .   165.64   ppm   .   .   .   .   .   .   bmse001244   5    
     2   .   .   H   1    'Full H'   .   .   12.99    ppm   .   .   .   .   .   .   bmse001244   5    

   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

     3   $software_topspin   .   .   bmse001244   5    

   stop_

   loop_
      _Spectral_transition.ID
      _Spectral_transition.Peak_ID
      _Spectral_transition.Figure_of_merit
      _Spectral_transition.Details
      _Spectral_transition.Entry_ID
      _Spectral_transition.Spectral_peak_list_ID

     1   .   .   .   bmse001244   5    
     2   .   .   .   bmse001244   5    
     3   .   .   .   bmse001244   5    

   stop_

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

     1   .   185211.15   .   'relative height'   bmse001244   5    
     2   .   214212.70   .   'relative height'   bmse001244   5    
     3   .   192397.47   .   'relative height'   bmse001244   5    

   stop_

   loop_
      _Spectral_transition_char.Spectral_transition_ID
      _Spectral_transition_char.Peak_ID
      _Spectral_transition_char.Spectral_dim_ID
      _Spectral_transition_char.Chem_shift_val
      _Spectral_transition_char.Chem_shift_val_err
      _Spectral_transition_char.Line_width_val
      _Spectral_transition_char.Line_width_val_err
      _Spectral_transition_char.Phase_val
      _Spectral_transition_char.Phase_val_err
      _Spectral_transition_char.Decay_rate_val
      _Spectral_transition_char.Decay_rate_val_err
      _Spectral_transition_char.Bounding_box_upper_val
      _Spectral_transition_char.Bounding_box_lower_val
      _Spectral_transition_char.Bounding_box_width_val
      _Spectral_transition_char.Derivation_method_ID
      _Spectral_transition_char.Entry_ID
      _Spectral_transition_char.Spectral_peak_list_ID

     1   .   1   118.9346   .   .   .   .   .   .   .   .   .   .   .   bmse001244   5    
     1   .   2   7.1933     .   .   .   .   .   .   .   .   .   .   .   bmse001244   5    
     2   .   1   117.7410   .   .   .   .   .   .   .   .   .   .   .   bmse001244   5    
     2   .   2   7.3775     .   .   .   .   .   .   .   .   .   .   .   bmse001244   5    
     3   .   1   114.4159   .   .   .   .   .   .   .   .   .   .   .   bmse001244   5    
     3   .   2   7.7827     .   .   .   .   .   .   .   .   .   .   .   bmse001244   5    

   stop_

save_