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                      337
   _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 'Experiment Name' 1 $sample_one . 337 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  6  6 PHE HD1  H 1  7.32 . . 1 . . . . . . . . 337 1 
       2 . 1 1  6  6 PHE HD2  H 1  7.32 . . 1 . . . . . . . . 337 1 
       3 . 1 1  6  6 PHE HE1  H 1  7.08 . . 3 . . . . . . . . 337 1 
       4 . 1 1  6  6 PHE HE2  H 1  6.41 . . 3 . . . . . . . . 337 1 
       5 . 1 1  6  6 PHE HZ   H 1  6.57 . . 1 . . . . . . . . 337 1 
       6 . 1 1 14 14 HIS HD2  H 1  0.27 . . 1 . . . . . . . . 337 1 
       7 . 1 1 14 14 HIS HE1  H 1  1.05 . . 1 . . . . . . . . 337 1 
       8 . 1 1 27 27 LEU HG   H 1  0.08 . . 1 . . . . . . . . 337 1 
       9 . 1 1 27 27 LEU HD11 H 1  0.61 . . 2 . . . . . . . . 337 1 
      10 . 1 1 27 27 LEU HD12 H 1  0.61 . . 2 . . . . . . . . 337 1 
      11 . 1 1 27 27 LEU HD13 H 1  0.61 . . 2 . . . . . . . . 337 1 
      12 . 1 1 27 27 LEU HD21 H 1  0.86 . . 2 . . . . . . . . 337 1 
      13 . 1 1 27 27 LEU HD22 H 1  0.86 . . 2 . . . . . . . . 337 1 
      14 . 1 1 27 27 LEU HD23 H 1  0.86 . . 2 . . . . . . . . 337 1 
      15 . 1 1 56 56 MET HA   H 1  3    . . 1 . . . . . . . . 337 1 
      16 . 1 1 56 56 MET HB2  H 1  0.3  . . 2 . . . . . . . . 337 1 
      17 . 1 1 56 56 MET HB3  H 1  3.1  . . 2 . . . . . . . . 337 1 
      18 . 1 1 56 56 MET HG2  H 1  1.2  . . 2 . . . . . . . . 337 1 
      19 . 1 1 56 56 MET HG3  H 1  3.1  . . 2 . . . . . . . . 337 1 
      20 . 1 1 56 56 MET HE1  H 1 -2.76 . . 1 . . . . . . . . 337 1 
      21 . 1 1 56 56 MET HE2  H 1 -2.76 . . 1 . . . . . . . . 337 1 
      22 . 1 1 56 56 MET HE3  H 1 -2.76 . . 1 . . . . . . . . 337 1 
      23 . 1 1 59 59 TRP HD1  H 1  6.95 . . 1 . . . . . . . . 337 1 
      24 . 1 1 59 59 TRP HE3  H 1  8.36 . . 1 . . . . . . . . 337 1 
      25 . 1 1 59 59 TRP HZ2  H 1  7.47 . . 1 . . . . . . . . 337 1 
      26 . 1 1 59 59 TRP HZ3  H 1  7.89 . . 1 . . . . . . . . 337 1 
      27 . 1 1 59 59 TRP HH2  H 1  7.39 . . 1 . . . . . . . . 337 1 
      28 . 1 1 83 83 TRP HD1  H 1  6.59 . . 1 . . . . . . . . 337 1 

   stop_

save_