########################
    #  Coupling constants  #
    ########################

save_J_values_set_1
   _Coupling_constant_list.Sf_category                  coupling_constants
   _Coupling_constant_list.Sf_framecode                 J_values_set_1
   _Coupling_constant_list.Entry_ID                     6413
   _Coupling_constant_list.ID                           1
   _Coupling_constant_list.Sample_condition_list_ID     1
   _Coupling_constant_list.Sample_condition_list_label  $Ex-cond_1
   _Coupling_constant_list.Spectrometer_frequency_1H    500
   _Coupling_constant_list.Details                      .
   _Coupling_constant_list.Text_data_format             .
   _Coupling_constant_list.Text_data                    .

   loop_
      _Coupling_constant_experiment.Experiment_ID
      _Coupling_constant_experiment.Experiment_name
      _Coupling_constant_experiment.Sample_ID
      _Coupling_constant_experiment.Sample_label
      _Coupling_constant_experiment.Sample_state
      _Coupling_constant_experiment.Entry_ID
      _Coupling_constant_experiment.Coupling_constant_list_ID

     .   .   1   $sample_1   .   6413   1    

   stop_

   loop_
      _Coupling_constant.ID
      _Coupling_constant.Code
      _Coupling_constant.Assembly_atom_ID_1
      _Coupling_constant.Entity_assembly_ID_1
      _Coupling_constant.Entity_ID_1
      _Coupling_constant.Comp_index_ID_1
      _Coupling_constant.Seq_ID_1
      _Coupling_constant.Comp_ID_1
      _Coupling_constant.Atom_ID_1
      _Coupling_constant.Atom_type_1
      _Coupling_constant.Atom_isotope_number_1
      _Coupling_constant.Ambiguity_code_1
      _Coupling_constant.Assembly_atom_ID_2
      _Coupling_constant.Entity_assembly_ID_2
      _Coupling_constant.Entity_ID_2
      _Coupling_constant.Comp_index_ID_2
      _Coupling_constant.Seq_ID_2
      _Coupling_constant.Comp_ID_2
      _Coupling_constant.Atom_ID_2
      _Coupling_constant.Atom_type_2
      _Coupling_constant.Atom_isotope_number_2
      _Coupling_constant.Ambiguity_code_2
      _Coupling_constant.Val
      _Coupling_constant.Val_min
      _Coupling_constant.Val_max
      _Coupling_constant.Val_err
      _Coupling_constant.Resonance_ID_1
      _Coupling_constant.Resonance_ID_2
      _Coupling_constant.Auth_entity_assembly_ID_1
      _Coupling_constant.Auth_seq_ID_1
      _Coupling_constant.Auth_comp_ID_1
      _Coupling_constant.Auth_atom_ID_1
      _Coupling_constant.Auth_entity_assembly_ID_2
      _Coupling_constant.Auth_seq_ID_2
      _Coupling_constant.Auth_comp_ID_2
      _Coupling_constant.Auth_atom_ID_2
      _Coupling_constant.Details
      _Coupling_constant.Entry_ID
      _Coupling_constant.Coupling_constant_list_ID

     1    3JHNHA   .   1   1   2    2    THR   H   .   .   .   .   1   1   2    2    THR   HA   .   .   .   8.0    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     2    3JHNHA   .   1   1   3    3    TYR   H   .   .   .   .   1   1   3    3    TYR   HA   .   .   .   8.2    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     3    3JHNHA   .   1   1   4    4    PHE   H   .   .   .   .   1   1   4    4    PHE   HA   .   .   .   7.8    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     4    3JHNHA   .   1   1   8    8    ASP   H   .   .   .   .   1   1   8    8    ASP   HA   .   .   .   8.0    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     5    3JHNHA   .   1   1   9    9    LEU   H   .   .   .   .   1   1   9    9    LEU   HA   .   .   .   6.1    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     6    3JHNHA   .   1   1   10   10   SER   H   .   .   .   .   1   1   10   10   SER   HA   .   .   .   6.6    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     7    3JHNHA   .   1   1   11   11   HIS   H   .   .   .   .   1   1   11   11   HIS   HA   .   .   .   7.2    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     8    3JHNHA   .   1   1   12   12   GLY   H   .   .   .   .   1   1   12   12   GLY   HA   .   .   .   10.9   .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     9    3JHNHA   .   1   1   13   13   SER   H   .   .   .   .   1   1   13   13   SER   HA   .   .   .   6.8    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     10   3JHNHA   .   1   1   14   14   ALA   H   .   .   .   .   1   1   14   14   ALA   HA   .   .   .   6.3    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     11   3JHNHA   .   1   1   15   15   GLN   H   .   .   .   .   1   1   15   15   GLN   HA   .   .   .   7.7    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     12   3JHNHA   .   1   1   16   16   VAL   H   .   .   .   .   1   1   16   16   VAL   HA   .   .   .   7.0    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     13   3JHNHA   .   1   1   17   17   LYS   H   .   .   .   .   1   1   17   17   LYS   HA   .   .   .   7.1    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     14   3JHNHA   .   1   1   18   18   GLY   H   .   .   .   .   1   1   18   18   GLY   HA   .   .   .   11.9   .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     15   3JHNHA   .   1   1   20   20   GLY   H   .   .   .   .   1   1   20   20   GLY   HA   .   .   .   11.3   .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     16   3JHNHA   .   1   1   21   21   ALA   H   .   .   .   .   1   1   21   21   ALA   HA   .   .   .   6.4    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    
     17   3JHNHA   .   1   1   22   22   LYS   H   .   .   .   .   1   1   22   22   LYS   HA   .   .   .   7.2    .   .   0.5   .   .   .   .   .   .   .   .   .   .   .   6413   1    

   stop_

save_