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                      1066
   _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 . 1066 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 MET HE1  H 1 2.045 . . 1 . . . . . . . . 1066 1 
       2 . 1 1  1  1 MET HE2  H 1 2.045 . . 1 . . . . . . . . 1066 1 
       3 . 1 1  1  1 MET HE3  H 1 2.045 . . 1 . . . . . . . . 1066 1 
       4 . 1 1  6  6 LEU HA   H 1 4.56  . . 1 . . . . . . . . 1066 1 
       5 . 1 1  6  6 LEU HB2  H 1 1.08  . . 2 . . . . . . . . 1066 1 
       6 . 1 1  6  6 LEU HB3  H 1 1.44  . . 2 . . . . . . . . 1066 1 
       7 . 1 1 42 42 MET HE1  H 1 1.828 . . 1 . . . . . . . . 1066 1 
       8 . 1 1 42 42 MET HE2  H 1 1.828 . . 1 . . . . . . . . 1066 1 
       9 . 1 1 42 42 MET HE3  H 1 1.828 . . 1 . . . . . . . . 1066 1 
      10 . 1 1 45 45 LEU HA   H 1 4.56  . . 1 . . . . . . . . 1066 1 
      11 . 1 1 45 45 LEU HB2  H 1 1.08  . . 2 . . . . . . . . 1066 1 
      12 . 1 1 45 45 LEU HB3  H 1 1.44  . . 2 . . . . . . . . 1066 1 
      13 . 1 1 48 48 ILE HA   H 1 4.22  . . 1 . . . . . . . . 1066 1 
      14 . 1 1 48 48 ILE HB   H 1 1.53  . . 1 . . . . . . . . 1066 1 
      15 . 1 1 48 48 ILE HG12 H 1 1.35  . . 1 . . . . . . . . 1066 1 
      16 . 1 1 48 48 ILE HG13 H 1 1.35  . . 1 . . . . . . . . 1066 1 
      17 . 1 1 48 48 ILE HG21 H 1  .718 . . 1 . . . . . . . . 1066 1 
      18 . 1 1 48 48 ILE HG22 H 1  .718 . . 1 . . . . . . . . 1066 1 
      19 . 1 1 48 48 ILE HG23 H 1  .718 . . 1 . . . . . . . . 1066 1 
      20 . 1 1 48 48 ILE HD11 H 1  .672 . . 1 . . . . . . . . 1066 1 
      21 . 1 1 48 48 ILE HD12 H 1  .672 . . 1 . . . . . . . . 1066 1 
      22 . 1 1 48 48 ILE HD13 H 1  .672 . . 1 . . . . . . . . 1066 1 
      23 . 1 1 53 53 ALA HA   H 1 4.03  . . 1 . . . . . . . . 1066 1 
      24 . 1 1 53 53 ALA HB1  H 1 1.246 . . 1 . . . . . . . . 1066 1 
      25 . 1 1 53 53 ALA HB2  H 1 1.246 . . 1 . . . . . . . . 1066 1 
      26 . 1 1 53 53 ALA HB3  H 1 1.246 . . 1 . . . . . . . . 1066 1 
      27 . 1 1 56 56 LEU HB2  H 1 1.3   . . 1 . . . . . . . . 1066 1 
      28 . 1 1 56 56 LEU HB3  H 1 1.3   . . 1 . . . . . . . . 1066 1 
      29 . 1 1 56 56 LEU HG   H 1 1.3   . . 1 . . . . . . . . 1066 1 
      30 . 1 1 57 57 ALA HA   H 1 4.03  . . 1 . . . . . . . . 1066 1 
      31 . 1 1 57 57 ALA HB1  H 1 1.246 . . 1 . . . . . . . . 1066 1 
      32 . 1 1 57 57 ALA HB2  H 1 1.246 . . 1 . . . . . . . . 1066 1 
      33 . 1 1 57 57 ALA HB3  H 1 1.246 . . 1 . . . . . . . . 1066 1 

   stop_

save_