Content for NMR-STAR saveframe, "spectral_peak_list_1"

    save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         15652
   _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                    12
   _Spectral_peak_list.Experiment_name                  '3D 1H-13C NOESY (aliph)'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          'peak intensity'
   _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    'All H'       .   .   15    .   .   .   .   .   .   .   15652   1
      2   .   .   C   13   'All C'       .   .   150   .   .   .   .   .   .   .   15652   1
      3   .   .   H   1    'ali+aro H'   .   .   20    .   .   .   .   .   .   .   15652   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

      8   $SPARKY   .   .   15652   1
   stop_

   loop_
      _Peak_general_char.Peak_ID
      _Peak_general_char.Intensity_val
      _Peak_general_char.Intensity_val_err
      _Peak_general_char.Measurement_method
      _Peak_general_char.Entry_ID
      _Peak_general_char.Spectral_peak_list_ID

      1   460387.0    .   height   15652   1
      2   32649.0     .   height   15652   1
      3   55773.0     .   height   15652   1
      4   54742.0     .   height   15652   1
      5   42570.0     .   height   15652   1
      6   1010817.0   .   height   15652   1
      7   310148.0    .   height   15652   1
      8   81509.0     .   height   15652   1
   stop_

   loop_
      _Peak_char.Peak_ID
      _Peak_char.Spectral_dim_ID
      _Peak_char.Chem_shift_val
      _Peak_char.Chem_shift_val_err
      _Peak_char.Line_width_val
      _Peak_char.Line_width_val_err
      _Peak_char.Phase_val
      _Peak_char.Phase_val_err
      _Peak_char.Decay_rate_val
      _Peak_char.Decay_rate_val_err
      _Peak_char.Coupling_pattern
      _Peak_char.Bounding_box_upper_val
      _Peak_char.Bounding_box_lower_val
      _Peak_char.Bounding_box_range_val
      _Peak_char.Details
      _Peak_char.Derivation_method_ID
      _Peak_char.Entry_ID
      _Peak_char.Spectral_peak_list_ID

      1   1   6.862     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      1   2   16.017    .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      1   3   1.721     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      2   1   6.953     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      2   2   34.025    .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      2   3   1.914     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      3   1   6.953     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      3   2   34.025    .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      3   3   2.108     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      4   1   3.768     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      4   2   30.37     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      4   3   2.212     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      5   1   3.768     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      5   2   30.37     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      5   3   2.559     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      6   1   2.601     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      6   2   54.36     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      6   3   2.599     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      7   1   7.128     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      7   2   124.876   .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      7   3   7.131     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      8   1   10.266    .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      8   2   124.84    .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
      8   3   7.126     .   .   .   .   .   .   .   .   .   .   .   .   .   15652   1
   stop_

   loop_
      _Assigned_peak_chem_shift.Peak_ID
      _Assigned_peak_chem_shift.Spectral_dim_ID
      _Assigned_peak_chem_shift.Set_ID
      _Assigned_peak_chem_shift.Magnetization_linkage_ID
      _Assigned_peak_chem_shift.Assembly_atom_ID
      _Assigned_peak_chem_shift.Val
      _Assigned_peak_chem_shift.Contribution_fractional_val
      _Assigned_peak_chem_shift.Figure_of_merit
      _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
      _Assigned_peak_chem_shift.Atom_chem_shift_ID
      _Assigned_peak_chem_shift.Entity_assembly_ID
      _Assigned_peak_chem_shift.Entity_ID
      _Assigned_peak_chem_shift.Comp_index_ID
      _Assigned_peak_chem_shift.Comp_ID
      _Assigned_peak_chem_shift.Atom_ID
      _Assigned_peak_chem_shift.Ambiguity_code
      _Assigned_peak_chem_shift.Ambiguity_set_ID
      _Assigned_peak_chem_shift.Auth_atom_peak_num
      _Assigned_peak_chem_shift.Auth_entity_ID
      _Assigned_peak_chem_shift.Auth_seq_ID
      _Assigned_peak_chem_shift.Auth_comp_ID
      _Assigned_peak_chem_shift.Auth_atom_ID
      _Assigned_peak_chem_shift.Auth_ambiguity_code
      _Assigned_peak_chem_shift.Auth_ambiguity_set_ID
      _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
      _Assigned_peak_chem_shift.Resonance_ID
      _Assigned_peak_chem_shift.Details
      _Assigned_peak_chem_shift.Entry_ID
      _Assigned_peak_chem_shift.Spectral_peak_list_ID

      1   1   .   .   .   6.862     .   .   .   .   .   .   .   .   .   .   .   .   .   78   PHE   HZ    .   .   1   .   .   15652   1
      1   2   .   .   .   16.017    .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   CE    .   .   1   .   .   15652   1
      1   3   .   .   .   1.721     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   HE    .   .   1   .   .   15652   1
      2   1   .   .   .   6.953     .   .   .   .   .   .   .   .   .   .   .   .   .   31   TYR   HE2   .   .   1   .   .   15652   1
      2   2   .   .   .   34.025    .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   CB    .   .   1   .   .   15652   1
      2   3   .   .   .   1.914     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   HB3   .   .   1   .   .   15652   1
      3   1   .   .   .   6.953     .   .   .   .   .   .   .   .   .   .   .   .   .   31   TYR   HE1   .   .   1   .   .   15652   1
      3   2   .   .   .   34.025    .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   CB    .   .   1   .   .   15652   1
      3   3   .   .   .   2.108     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   HB2   .   .   1   .   .   15652   1
      4   1   .   .   .   3.768     .   .   .   .   .   .   .   .   .   .   .   .   .   24   MET   HA    .   .   1   .   .   15652   1
      4   2   .   .   .   30.37     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   CG    .   .   1   .   .   15652   1
      4   3   .   .   .   2.212     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   HG3   .   .   1   .   .   15652   1
      5   1   .   .   .   3.768     .   .   .   .   .   .   .   .   .   .   .   .   .   24   MET   HA    .   .   1   .   .   15652   1
      5   2   .   .   .   30.37     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   CG    .   .   1   .   .   15652   1
      5   3   .   .   .   2.559     .   .   .   .   .   .   .   .   .   .   .   .   .   27   MET   HG2   .   .   1   .   .   15652   1
      6   1   .   .   .   2.601     .   .   .   .   .   .   .   .   .   .   .   .   .   20   ALA   HA    .   .   1   .   .   15652   1
      6   2   .   .   .   54.36     .   .   .   .   .   .   .   .   .   .   .   .   .   20   ALA   CA    .   .   1   .   .   15652   1
      6   3   .   .   .   2.599     .   .   .   .   .   .   .   .   .   .   .   .   .   20   ALA   HA    .   .   1   .   .   15652   1
      7   1   .   .   .   7.128     .   .   .   .   .   .   .   .   .   .   .   .   .   79   TRP   HD1   .   .   1   .   .   15652   1
      7   2   .   .   .   124.876   .   .   .   .   .   .   .   .   .   .   .   .   .   79   TRP   CD1   .   .   1   .   .   15652   1
      7   3   .   .   .   7.131     .   .   .   .   .   .   .   .   .   .   .   .   .   79   TRP   HD1   .   .   1   .   .   15652   1
      8   1   .   .   .   10.266    .   .   .   .   .   .   .   .   .   .   .   .   .   79   TRP   HE1   .   .   1   .   .   15652   1
      8   2   .   .   .   124.84    .   .   .   .   .   .   .   .   .   .   .   .   .   79   TRP   CD1   .   .   1   .   .   15652   1
      8   3   .   .   .   7.126     .   .   .   .   .   .   .   .   .   .   .   .   .   79   TRP   HD1   .   .   1   .   .   15652   1
   stop_
save_