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                      430
   _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 . 430 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 LEU H   H 1 8.36 . . 1 . . . . . . . . 430 1 
       2 . 1 1  2  2 LEU HA  H 1 4.34 . . 1 . . . . . . . . 430 1 
       3 . 1 1  3  3 SER H   H 1 8.19 . . 1 . . . . . . . . 430 1 
       4 . 1 1  3  3 SER HA  H 1 4.46 . . 1 . . . . . . . . 430 1 
       5 . 1 1  4  4 TYR H   H 1 8.22 . . 1 . . . . . . . . 430 1 
       6 . 1 1  4  4 TYR HA  H 1 4.53 . . 1 . . . . . . . . 430 1 
       7 . 1 1  5  5 GLY H   H 1 8.32 . . 1 . . . . . . . . 430 1 
       8 . 1 1  5  5 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 430 1 
       9 . 1 1  5  5 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 430 1 
      10 . 1 1  6  6 TYR H   H 1 7.96 . . 1 . . . . . . . . 430 1 
      11 . 1 1  6  6 TYR HA  H 1 4.5  . . 1 . . . . . . . . 430 1 
      12 . 1 1  7  7 ASP H   H 1 8.29 . . 1 . . . . . . . . 430 1 
      13 . 1 1  7  7 ASP HA  H 1 4.55 . . 1 . . . . . . . . 430 1 
      14 . 1 1  8  8 GLU H   H 1 8.45 . . 1 . . . . . . . . 430 1 
      15 . 1 1  8  8 GLU HA  H 1 4.15 . . 1 . . . . . . . . 430 1 
      16 . 1 1  9  9 LYS H   H 1 8.35 . . 1 . . . . . . . . 430 1 
      17 . 1 1  9  9 LYS HA  H 1 4.29 . . 1 . . . . . . . . 430 1 
      18 . 1 1 10 10 SER H   H 1 8.26 . . 1 . . . . . . . . 430 1 
      19 . 1 1 10 10 SER HA  H 1 4.4  . . 1 . . . . . . . . 430 1 
      20 . 1 1 11 11 THR H   H 1 8.15 . . 1 . . . . . . . . 430 1 
      21 . 1 1 11 11 THR HA  H 1 4.33 . . 1 . . . . . . . . 430 1 
      22 . 1 1 12 12 GLY H   H 1 8.35 . . 1 . . . . . . . . 430 1 
      23 . 1 1 12 12 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 430 1 
      24 . 1 1 12 12 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 430 1 
      25 . 1 1 13 13 ILE H   H 1 7.95 . . 1 . . . . . . . . 430 1 
      26 . 1 1 13 13 ILE HA  H 1 4.21 . . 1 . . . . . . . . 430 1 
      27 . 1 1 14 14 SER H   H 1 8.41 . . 1 . . . . . . . . 430 1 
      28 . 1 1 14 14 SER HA  H 1 4.48 . . 1 . . . . . . . . 430 1 
      29 . 1 1 15 15 VAL H   H 1 8.22 . . 1 . . . . . . . . 430 1 
      30 . 1 1 15 15 VAL HA  H 1 4.44 . . 1 . . . . . . . . 430 1 
      31 . 1 1 16 16 PRO HA  H 1 4.42 . . 1 . . . . . . . . 430 1 
      32 . 1 1 17 17 GLY H   H 1 8.24 . . 1 . . . . . . . . 430 1 
      33 . 1 1 17 17 GLY HA2 H 1 4.21 . . 2 . . . . . . . . 430 1 
      34 . 1 1 17 17 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 430 1 
      35 . 1 1 18 18 PRO HA  H 1 4.43 . . 1 . . . . . . . . 430 1 
      36 . 1 1 19 19 MET H   H 1 8.03 . . 1 . . . . . . . . 430 1 
      37 . 1 1 19 19 MET HA  H 1 4.25 . . 1 . . . . . . . . 430 1 

   stop_

save_