Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"

    save_chemical_shift_assignment_data_set_one
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 'chemical_shift_assignment_data_set_one'
   _Assigned_chem_shift_list.Entry_ID                      1013
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      . . 1 $sample_one . 1013 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

       1 . 1 1  1  1 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 1013 1 
       2 . 1 1  1  1 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 1013 1 
       3 . 1 1  1  1 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 1013 1 
       4 . 1 1  1  1 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 1013 1 
       5 . 1 1  1  1 PHE HZ  H 1 7.2  . . 1 . . . . . . . . 1013 1 
       6 . 1 1  5  5 HIS HD2 H 1 6.76 . . 1 . . . . . . . . 1013 1 
       7 . 1 1  5  5 HIS HE1 H 1 7.54 . . 1 . . . . . . . . 1013 1 
       8 . 1 1 10 10 HIS HD2 H 1 7.14 . . 1 . . . . . . . . 1013 1 
       9 . 1 1 10 10 HIS HE1 H 1 7.72 . . 1 . . . . . . . . 1013 1 
      10 . 1 1 16 16 TYR HD1 H 1 7.19 . . 1 . . . . . . . . 1013 1 
      11 . 1 1 16 16 TYR HD2 H 1 7.19 . . 1 . . . . . . . . 1013 1 
      12 . 1 1 16 16 TYR HE1 H 1 6.67 . . 1 . . . . . . . . 1013 1 
      13 . 1 1 16 16 TYR HE2 H 1 6.67 . . 1 . . . . . . . . 1013 1 
      14 . 1 1 24 24 PHE HD1 H 1 6.85 . . 1 . . . . . . . . 1013 1 
      15 . 1 1 24 24 PHE HD2 H 1 6.85 . . 1 . . . . . . . . 1013 1 
      16 . 1 1 24 24 PHE HE1 H 1 7.02 . . 1 . . . . . . . . 1013 1 
      17 . 1 1 24 24 PHE HE2 H 1 7.02 . . 1 . . . . . . . . 1013 1 
      18 . 1 1 24 24 PHE HZ  H 1 7.14 . . 1 . . . . . . . . 1013 1 
      19 . 1 1 25 25 PHE HD1 H 1 7.3  . . 1 . . . . . . . . 1013 1 
      20 . 1 1 25 25 PHE HD2 H 1 7.3  . . 1 . . . . . . . . 1013 1 
      21 . 1 1 25 25 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 1013 1 
      22 . 1 1 25 25 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 1013 1 
      23 . 1 1 25 25 PHE HZ  H 1 7.3  . . 1 . . . . . . . . 1013 1 
      24 . 1 1 26 26 TYR HD1 H 1 6.76 . . 1 . . . . . . . . 1013 1 
      25 . 1 1 26 26 TYR HD2 H 1 6.76 . . 1 . . . . . . . . 1013 1 
      26 . 1 1 26 26 TYR HE1 H 1 6.5  . . 1 . . . . . . . . 1013 1 
      27 . 1 1 26 26 TYR HE2 H 1 6.5  . . 1 . . . . . . . . 1013 1 

   stop_

save_