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                      339
   _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 . 339 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  2  2 ASN H H  1   9.14 . . 1 . . . . . . . . 339 1 
       2 . 1 1  2  2 ASN N N 15 127.4  . . 1 . . . . . . . . 339 1 
       3 . 1 1  3  3 CYS H H  1   9.02 . . 1 . . . . . . . . 339 1 
       4 . 1 1  3  3 CYS N N 15 120.5  . . 1 . . . . . . . . 339 1 
       5 . 1 1  4  4 LYS H H  1   8.05 . . 1 . . . . . . . . 339 1 
       6 . 1 1  4  4 LYS N N 15 119.8  . . 1 . . . . . . . . 339 1 
       7 . 1 1  5  5 ALA H H  1   7.23 . . 1 . . . . . . . . 339 1 
       8 . 1 1  5  5 ALA N N 15 119.9  . . 1 . . . . . . . . 339 1 
       9 . 1 1  7  7 GLU H H  1   9.12 . . 1 . . . . . . . . 339 1 
      10 . 1 1  7  7 GLU N N 15 122.2  . . 1 . . . . . . . . 339 1 
      11 . 1 1  8  8 THR H H  1   7.38 . . 1 . . . . . . . . 339 1 
      12 . 1 1  8  8 THR N N 15 107.4  . . 1 . . . . . . . . 339 1 
      13 . 1 1  9  9 ALA H H  1   8.96 . . 1 . . . . . . . . 339 1 
      14 . 1 1  9  9 ALA N N 15 126.5  . . 1 . . . . . . . . 339 1 
      15 . 1 1 10 10 LEU H H  1   8.3  . . 1 . . . . . . . . 339 1 
      16 . 1 1 10 10 LEU N N 15 119.4  . . 1 . . . . . . . . 339 1 
      17 . 1 1 11 11 CYS H H  1   7.78 . . 1 . . . . . . . . 339 1 
      18 . 1 1 11 11 CYS N N 15 117.1  . . 1 . . . . . . . . 339 1 
      19 . 1 1 12 12 ALA H H  1   8.47 . . 1 . . . . . . . . 339 1 
      20 . 1 1 12 12 ALA N N 15 123.5  . . 1 . . . . . . . . 339 1 
      21 . 1 1 13 13 ARG H H  1   7.99 . . 1 . . . . . . . . 339 1 
      22 . 1 1 13 13 ARG N N 15 117.5  . . 1 . . . . . . . . 339 1 
      23 . 1 1 14 14 ARG H H  1   8.26 . . 1 . . . . . . . . 339 1 
      24 . 1 1 14 14 ARG N N 15 120.7  . . 1 . . . . . . . . 339 1 
      25 . 1 1 15 15 CYS H H  1   8.41 . . 1 . . . . . . . . 339 1 
      26 . 1 1 15 15 CYS N N 15 116.7  . . 1 . . . . . . . . 339 1 
      27 . 1 1 16 16 GLN H H  1   7.68 . . 1 . . . . . . . . 339 1 
      28 . 1 1 16 16 GLN N N 15 119.4  . . 1 . . . . . . . . 339 1 
      29 . 1 1 17 17 GLN H H  1   7.95 . . 1 . . . . . . . . 339 1 
      30 . 1 1 17 17 GLN N N 15 119.5  . . 1 . . . . . . . . 339 1 
      31 . 1 1 18 18 HIS H H  1   8.31 . . 1 . . . . . . . . 339 1 
      32 . 1 1 18 18 HIS N N 15 119.6  . . 1 . . . . . . . . 339 1 

   stop_

save_