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                      508
   _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 . 508 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 LEU CA  C 13 53   . . 1 . . . . . . . . 508 1 
       2 . 1 1  1  1 LEU CD1 C 13 23   . . 2 . . . . . . . . 508 1 
       3 . 1 1  1  1 LEU CD2 C 13 22.4 . . 2 . . . . . . . . 508 1 
       4 . 1 1  2  2 ALA CA  C 13 50.8 . . 1 . . . . . . . . 508 1 
       5 . 1 1  2  2 ALA CB  C 13 17.8 . . 1 . . . . . . . . 508 1 
       6 . 1 1  3  3 ALA CA  C 13 50.9 . . 1 . . . . . . . . 508 1 
       7 . 1 1  3  3 ALA CB  C 13 17.8 . . 1 . . . . . . . . 508 1 
       8 . 1 1  4  4 VAL CA  C 13 60.4 . . 1 . . . . . . . . 508 1 
       9 . 1 1  4  4 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 508 1 
      10 . 1 1  4  4 VAL CG2 C 13 18.8 . . 2 . . . . . . . . 508 1 
      11 . 1 1  5  5 SER CA  C 13 56.2 . . 1 . . . . . . . . 508 1 
      12 . 1 1  5  5 SER CB  C 13 63   . . 1 . . . . . . . . 508 1 
      13 . 1 1  6  6 VAL CA  C 13 60   . . 1 . . . . . . . . 508 1 
      14 . 1 1  6  6 VAL CG1 C 13 20.3 . . 2 . . . . . . . . 508 1 
      15 . 1 1  6  6 VAL CG2 C 13 20.6 . . 2 . . . . . . . . 508 1 
      16 . 1 1  7  7 ASP CA  C 13 51.7 . . 1 . . . . . . . . 508 1 
      17 . 1 1  8  8 CYS CA  C 13 50.6 . . 1 . . . . . . . . 508 1 
      18 . 1 1  9  9 SER CA  C 13 59.6 . . 1 . . . . . . . . 508 1 
      19 . 1 1  9  9 SER CB  C 13 61.6 . . 1 . . . . . . . . 508 1 
      20 . 1 1 10 10 GLU CA  C 13 54.7 . . 1 . . . . . . . . 508 1 
      21 . 1 1 10 10 GLU CG  C 13 32.6 . . 1 . . . . . . . . 508 1 
      22 . 1 1 11 11 TYR CA  C 13 56.1 . . 1 . . . . . . . . 508 1 
      23 . 1 1 12 12 PRO CA  C 13 61   . . 1 . . . . . . . . 508 1 
      24 . 1 1 12 12 PRO CD  C 13 49.8 . . 1 . . . . . . . . 508 1 
      25 . 1 1 13 13 LYS CA  C 13 51.6 . . 1 . . . . . . . . 508 1 
      26 . 1 1 13 13 LYS CE  C 13 40.3 . . 1 . . . . . . . . 508 1 
      27 . 1 1 14 14 PRO CA  C 13 62.8 . . 1 . . . . . . . . 508 1 
      28 . 1 1 14 14 PRO CD  C 13 49.2 . . 1 . . . . . . . . 508 1 
      29 . 1 1 15 15 ALA CA  C 13 50.3 . . 1 . . . . . . . . 508 1 
      30 . 1 1 15 15 ALA CB  C 13 19   . . 1 . . . . . . . . 508 1 
      31 . 1 1 16 16 CYS CA  C 13 52.1 . . 1 . . . . . . . . 508 1 
      32 . 1 1 17 17 THR CA  C 13 60.3 . . 1 . . . . . . . . 508 1 
      33 . 1 1 17 17 THR CB  C 13 68.4 . . 1 . . . . . . . . 508 1 
      34 . 1 1 17 17 THR CG2 C 13 19.9 . . 1 . . . . . . . . 508 1 
      35 . 1 1 18 18 LEU CA  C 13 54.8 . . 1 . . . . . . . . 508 1 
      36 . 1 1 18 18 LEU CD1 C 13 22.3 . . 2 . . . . . . . . 508 1 
      37 . 1 1 18 18 LEU CD2 C 13 23.7 . . 2 . . . . . . . . 508 1 

   stop_

save_