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                      243
   _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 . 243 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  5  5 LYS H    H 1 8.09 . . 1 . . . . . . . . 243 1 
       2 . 1 1  5  5 LYS HA   H 1 4.01 . . 1 . . . . . . . . 243 1 
       3 . 1 1  5  5 LYS HB2  H 1 1.86 . . 1 . . . . . . . . 243 1 
       4 . 1 1  5  5 LYS HB3  H 1 1.86 . . 1 . . . . . . . . 243 1 
       5 . 1 1  6  6 GLY H    H 1 8.84 . . 1 . . . . . . . . 243 1 
       6 . 1 1  6  6 GLY HA2  H 1 3.56 . . 2 . . . . . . . . 243 1 
       7 . 1 1  6  6 GLY HA3  H 1 4.2  . . 2 . . . . . . . . 243 1 
       8 . 1 1  7  7 LYS H    H 1 8.06 . . 1 . . . . . . . . 243 1 
       9 . 1 1  7  7 LYS HA   H 1 3.58 . . 1 . . . . . . . . 243 1 
      10 . 1 1  7  7 LYS HB2  H 1 1.9  . . 1 . . . . . . . . 243 1 
      11 . 1 1  7  7 LYS HB3  H 1 1.9  . . 1 . . . . . . . . 243 1 
      12 . 1 1  8  8 LYS H    H 1 7.03 . . 1 . . . . . . . . 243 1 
      13 . 1 1  8  8 LYS HA   H 1 3.96 . . 1 . . . . . . . . 243 1 
      14 . 1 1  8  8 LYS HB2  H 1 1.98 . . 1 . . . . . . . . 243 1 
      15 . 1 1  8  8 LYS HB3  H 1 1.98 . . 1 . . . . . . . . 243 1 
      16 . 1 1  9  9 ILE H    H 1 7.77 . . 1 . . . . . . . . 243 1 
      17 . 1 1  9  9 ILE HA   H 1 3.88 . . 1 . . . . . . . . 243 1 
      18 . 1 1  9  9 ILE HB   H 1 2.18 . . 1 . . . . . . . . 243 1 
      19 . 1 1  9  9 ILE HG12 H 1 1.29 . . 1 . . . . . . . . 243 1 
      20 . 1 1  9  9 ILE HG13 H 1 1.29 . . 1 . . . . . . . . 243 1 
      21 . 1 1  9  9 ILE HG21 H 1 1.13 . . 1 . . . . . . . . 243 1 
      22 . 1 1  9  9 ILE HG22 H 1 1.13 . . 1 . . . . . . . . 243 1 
      23 . 1 1  9  9 ILE HG23 H 1 1.13 . . 1 . . . . . . . . 243 1 
      24 . 1 1 10 10 PHE H    H 1 8.68 . . 1 . . . . . . . . 243 1 
      25 . 1 1 10 10 PHE HA   H 1 4.07 . . 1 . . . . . . . . 243 1 
      26 . 1 1 10 10 PHE HB2  H 1 3.14 . . 2 . . . . . . . . 243 1 
      27 . 1 1 10 10 PHE HB3  H 1 3.02 . . 2 . . . . . . . . 243 1 
      28 . 1 1 11 11 VAL H    H 1 8.78 . . 1 . . . . . . . . 243 1 
      29 . 1 1 11 11 VAL HA   H 1 3.6  . . 1 . . . . . . . . 243 1 
      30 . 1 1 11 11 VAL HB   H 1 2.21 . . 1 . . . . . . . . 243 1 
      31 . 1 1 11 11 VAL HG11 H 1  .98 . . 2 . . . . . . . . 243 1 
      32 . 1 1 11 11 VAL HG12 H 1  .98 . . 2 . . . . . . . . 243 1 
      33 . 1 1 11 11 VAL HG13 H 1  .98 . . 2 . . . . . . . . 243 1 
      34 . 1 1 11 11 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 243 1 
      35 . 1 1 11 11 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 243 1 
      36 . 1 1 11 11 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 243 1 
      37 . 1 1 12 12 GLN H    H 1 7.95 . . 1 . . . . . . . . 243 1 
      38 . 1 1 12 12 GLN HA   H 1 4.25 . . 1 . . . . . . . . 243 1 
      39 . 1 1 12 12 GLN HB2  H 1 2.33 . . 1 . . . . . . . . 243 1 
      40 . 1 1 12 12 GLN HB3  H 1 2.33 . . 1 . . . . . . . . 243 1 
      41 . 1 1 12 12 GLN HG2  H 1 2.71 . . 1 . . . . . . . . 243 1 
      42 . 1 1 12 12 GLN HG3  H 1 2.71 . . 1 . . . . . . . . 243 1 
      43 . 1 1 13 13 LYS H    H 1 8.97 . . 1 . . . . . . . . 243 1 
      44 . 1 1 13 13 LYS HA   H 1 5.07 . . 1 . . . . . . . . 243 1 
      45 . 1 1 13 13 LYS HB2  H 1 2.11 . . 1 . . . . . . . . 243 1 
      46 . 1 1 13 13 LYS HB3  H 1 2.11 . . 1 . . . . . . . . 243 1 
      47 . 1 1 14 14 CYS H    H 1 8.35 . . 1 . . . . . . . . 243 1 
      48 . 1 1 14 14 CYS HA   H 1 5.35 . . 1 . . . . . . . . 243 1 
      49 . 1 1 14 14 CYS HB2  H 1 1.15 . . 1 . . . . . . . . 243 1 
      50 . 1 1 14 14 CYS HB3  H 1 1.15 . . 1 . . . . . . . . 243 1 
      51 . 1 1 15 15 ALA H    H 1 7.42 . . 1 . . . . . . . . 243 1 
      52 . 1 1 15 15 ALA HA   H 1 3.94 . . 1 . . . . . . . . 243 1 
      53 . 1 1 15 15 ALA HB1  H 1 1.41 . . 1 . . . . . . . . 243 1 
      54 . 1 1 15 15 ALA HB2  H 1 1.41 . . 1 . . . . . . . . 243 1 
      55 . 1 1 15 15 ALA HB3  H 1 1.41 . . 1 . . . . . . . . 243 1 

   stop_

save_