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                      2173
   _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 . 2173 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   6   6 TYR HD1  H 1 7.14 . . 1 . . . . . . . . 2173 1 
       2 . 1 1   6   6 TYR HD2  H 1 7.14 . . 1 . . . . . . . . 2173 1 
       3 . 1 1   6   6 TYR HE1  H 1 6.86 . . 1 . . . . . . . . 2173 1 
       4 . 1 1   6   6 TYR HE2  H 1 6.86 . . 1 . . . . . . . . 2173 1 
       5 . 1 1  15  15 HIS HD2  H 1 7.07 . . 1 . . . . . . . . 2173 1 
       6 . 1 1  15  15 HIS HE1  H 1 7.88 . . 1 . . . . . . . . 2173 1 
       7 . 1 1  18  18 TRP HE3  H 1 7.79 . . 1 . . . . . . . . 2173 1 
       8 . 1 1  18  18 TRP HZ2  H 1 7.38 . . 1 . . . . . . . . 2173 1 
       9 . 1 1  18  18 TRP HZ3  H 1 6.95 . . 1 . . . . . . . . 2173 1 
      10 . 1 1  18  18 TRP HH2  H 1 7.05 . . 1 . . . . . . . . 2173 1 
      11 . 1 1  21  21 PHE HD1  H 1 6.96 . . 1 . . . . . . . . 2173 1 
      12 . 1 1  21  21 PHE HD2  H 1 6.96 . . 1 . . . . . . . . 2173 1 
      13 . 1 1  21  21 PHE HE1  H 1 7.1  . . 1 . . . . . . . . 2173 1 
      14 . 1 1  21  21 PHE HE2  H 1 7.1  . . 1 . . . . . . . . 2173 1 
      15 . 1 1  29  29 TYR HD1  H 1 6.41 . . 1 . . . . . . . . 2173 1 
      16 . 1 1  29  29 TYR HD2  H 1 6.41 . . 1 . . . . . . . . 2173 1 
      17 . 1 1  29  29 TYR HE1  H 1 6.31 . . 1 . . . . . . . . 2173 1 
      18 . 1 1  29  29 TYR HE2  H 1 6.31 . . 1 . . . . . . . . 2173 1 
      19 . 1 1  34  34 HIS HD2  H 1 6.4  . . 1 . . . . . . . . 2173 1 
      20 . 1 1  34  34 HIS HE1  H 1 8.04 . . 1 . . . . . . . . 2173 1 
      21 . 1 1  43  43 THR HA   H 1 4.88 . . 1 . . . . . . . . 2173 1 
      22 . 1 1  50  50 LEU HD11 H 1  .42 . . 1 . . . . . . . . 2173 1 
      23 . 1 1  50  50 LEU HD12 H 1  .42 . . 1 . . . . . . . . 2173 1 
      24 . 1 1  50  50 LEU HD13 H 1  .42 . . 1 . . . . . . . . 2173 1 
      25 . 1 1  50  50 LEU HD21 H 1  .42 . . 1 . . . . . . . . 2173 1 
      26 . 1 1  50  50 LEU HD22 H 1  .42 . . 1 . . . . . . . . 2173 1 
      27 . 1 1  50  50 LEU HD23 H 1  .42 . . 1 . . . . . . . . 2173 1 
      28 . 1 1  56  56 ILE HG12 H 1 1.59 . . 1 . . . . . . . . 2173 1 
      29 . 1 1  56  56 ILE HG13 H 1 1.59 . . 1 . . . . . . . . 2173 1 
      30 . 1 1  56  56 ILE HD11 H 1  .92 . . 1 . . . . . . . . 2173 1 
      31 . 1 1  56  56 ILE HD12 H 1  .92 . . 1 . . . . . . . . 2173 1 
      32 . 1 1  56  56 ILE HD13 H 1  .92 . . 1 . . . . . . . . 2173 1 
      33 . 1 1  80  80 THR HG21 H 1 1.59 . . 1 . . . . . . . . 2173 1 
      34 . 1 1  80  80 THR HG22 H 1 1.59 . . 1 . . . . . . . . 2173 1 
      35 . 1 1  80  80 THR HG23 H 1 1.59 . . 1 . . . . . . . . 2173 1 
      36 . 1 1  98  98 TRP HD1  H 1 7.25 . . 1 . . . . . . . . 2173 1 
      37 . 1 1  98  98 TRP HE3  H 1 7.44 . . 1 . . . . . . . . 2173 1 
      38 . 1 1  98  98 TRP HZ2  H 1 7.05 . . 1 . . . . . . . . 2173 1 
      39 . 1 1  98  98 TRP HZ3  H 1 6.69 . . 1 . . . . . . . . 2173 1 
      40 . 1 1  98  98 TRP HH2  H 1 7.17 . . 1 . . . . . . . . 2173 1 
      41 . 1 1 102 102 VAL HG11 H 1  .32 . . 2 . . . . . . . . 2173 1 
      42 . 1 1 102 102 VAL HG12 H 1  .32 . . 2 . . . . . . . . 2173 1 
      43 . 1 1 102 102 VAL HG13 H 1  .32 . . 2 . . . . . . . . 2173 1 
      44 . 1 1 102 102 VAL HG21 H 1  .08 . . 2 . . . . . . . . 2173 1 
      45 . 1 1 102 102 VAL HG22 H 1  .08 . . 2 . . . . . . . . 2173 1 
      46 . 1 1 102 102 VAL HG23 H 1  .08 . . 2 . . . . . . . . 2173 1 

   stop_

save_