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                      1358
   _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 . 1358 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 LYS HZ1  H 1 7.531 . . 1 . . . .  1 . . . 1358 1 
       2 . 1 1  1  1 LYS HZ2  H 1 7.531 . . 1 . . . .  1 . . . 1358 1 
       3 . 1 1  1  1 LYS HZ3  H 1 7.531 . . 1 . . . .  1 . . . 1358 1 
       4 . 1 1  2  2 GLU H    H 1 8.877 . . 1 . . . .  2 . . . 1358 1 
       5 . 1 1  3  3 THR H    H 1 8.435 . . 1 . . . .  3 . . . 1358 1 
       6 . 1 1  4  4 ALA H    H 1 8.512 . . 1 . . . .  4 . . . 1358 1 
       7 . 1 1  5  5 ALA H    H 1 8.324 . . 1 . . . .  5 . . . 1358 1 
       8 . 1 1  6  6 ALA H    H 1 8.186 . . 1 . . . .  6 . . . 1358 1 
       9 . 1 1  7  7 LYS H    H 1 8.183 . . 1 . . . .  7 . . . 1358 1 
      10 . 1 1  7  7 LYS HZ1  H 1 7.531 . . 1 . . . .  7 . . . 1358 1 
      11 . 1 1  7  7 LYS HZ2  H 1 7.531 . . 1 . . . .  7 . . . 1358 1 
      12 . 1 1  7  7 LYS HZ3  H 1 7.531 . . 1 . . . .  7 . . . 1358 1 
      13 . 1 1  8  8 PHE H    H 1 8.148 . . 1 . . . .  8 . . . 1358 1 
      14 . 1 1  9  9 GLU H    H 1 8.179 . . 1 . . . .  9 . . . 1358 1 
      15 . 1 1 10 10 ARG H    H 1 8.281 . . 1 . . . . 10 . . . 1358 1 
      16 . 1 1 10 10 ARG HE   H 1 7.289 . . 1 . . . . 10 . . . 1358 1 
      17 . 1 1 10 10 ARG HH11 H 1 6.709 . . 1 . . . . 10 . . . 1358 1 
      18 . 1 1 10 10 ARG HH12 H 1 6.709 . . 1 . . . . 10 . . . 1358 1 
      19 . 1 1 10 10 ARG HH21 H 1 6.709 . . 1 . . . . 10 . . . 1358 1 
      20 . 1 1 10 10 ARG HH22 H 1 6.709 . . 1 . . . . 10 . . . 1358 1 
      21 . 1 1 11 11 GLN H    H 1 8.351 . . 1 . . . . 11 . . . 1358 1 
      22 . 1 1 11 11 GLN HE21 H 1 6.867 . . 2 . . . . 11 . . . 1358 1 
      23 . 1 1 11 11 GLN HE22 H 1 7.5   . . 2 . . . . 11 . . . 1358 1 
      24 . 1 1 12 12 HIS H    H 1 8.505 . . 1 . . . . 12 . . . 1358 1 
      25 . 1 1 12 12 HIS HD1  H 1 8.578 . . 1 . . . . 12 . . . 1358 1 
      26 . 1 1 13 13 MET H    H 1 8.39  . . 1 . . . . 13 . . . 1358 1 
      27 . 1 1 14 14 ASP H    H 1 8.592 . . 1 . . . . 14 . . . 1358 1 
      28 . 1 1 15 15 SER H    H 1 8.355 . . 1 . . . . 15 . . . 1358 1 
      29 . 1 1 16 16 SER H    H 1 8.272 . . 1 . . . . 16 . . . 1358 1 
      30 . 1 1 17 17 THR H    H 1 8.211 . . 1 . . . . 17 . . . 1358 1 
      31 . 1 1 18 18 SER H    H 1 8.432 . . 1 . . . . 18 . . . 1358 1 
      32 . 1 1 19 19 ALA H    H 1 8.259 . . 1 . . . . 19 . . . 1358 1 

   stop_

save_