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                      398
   _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 . 398 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 41 41 ALA H    H 1 8.61 . . 1 . . . . . . . . 398 1 
       2 . 1 1 41 41 ALA HA   H 1 4.13 . . 1 . . . . . . . . 398 1 
       3 . 1 1 41 41 ALA HB1  H 1 1.33 . . 1 . . . . . . . . 398 1 
       4 . 1 1 41 41 ALA HB2  H 1 1.33 . . 1 . . . . . . . . 398 1 
       5 . 1 1 41 41 ALA HB3  H 1 1.33 . . 1 . . . . . . . . 398 1 
       6 . 1 1 42 42 GLU H    H 1 9.19 . . 1 . . . . . . . . 398 1 
       7 . 1 1 42 42 GLU HA   H 1 4.07 . . 1 . . . . . . . . 398 1 
       8 . 1 1 42 42 GLU HB2  H 1 2.09 . . 2 . . . . . . . . 398 1 
       9 . 1 1 42 42 GLU HB3  H 1 2.11 . . 2 . . . . . . . . 398 1 
      10 . 1 1 43 43 CYS H    H 1 8.49 . . 1 . . . . . . . . 398 1 
      11 . 1 1 43 43 CYS HA   H 1 4.66 . . 1 . . . . . . . . 398 1 
      12 . 1 1 43 43 CYS HB2  H 1 2.93 . . 2 . . . . . . . . 398 1 
      13 . 1 1 43 43 CYS HB3  H 1 3.8  . . 2 . . . . . . . . 398 1 
      14 . 1 1 44 44 ALA H    H 1 7.71 . . 1 . . . . . . . . 398 1 
      15 . 1 1 44 44 ALA HA   H 1 4.02 . . 1 . . . . . . . . 398 1 
      16 . 1 1 44 44 ALA HB1  H 1 1.4  . . 1 . . . . . . . . 398 1 
      17 . 1 1 44 44 ALA HB2  H 1 1.4  . . 1 . . . . . . . . 398 1 
      18 . 1 1 44 44 ALA HB3  H 1 1.4  . . 1 . . . . . . . . 398 1 
      19 . 1 1 45 45 GLN H    H 1 7.67 . . 1 . . . . . . . . 398 1 
      20 . 1 1 45 45 GLN HA   H 1 3.82 . . 1 . . . . . . . . 398 1 
      21 . 1 1 45 45 GLN HB2  H 1 2.11 . . 2 . . . . . . . . 398 1 
      22 . 1 1 45 45 GLN HB3  H 1 2.16 . . 2 . . . . . . . . 398 1 
      23 . 1 1 45 45 GLN HG2  H 1 2.33 . . 2 . . . . . . . . 398 1 
      24 . 1 1 45 45 GLN HG3  H 1 2.36 . . 2 . . . . . . . . 398 1 
      25 . 1 1 45 45 GLN HE21 H 1 6.78 . . 2 . . . . . . . . 398 1 
      26 . 1 1 45 45 GLN HE22 H 1 7.78 . . 2 . . . . . . . . 398 1 
      27 . 1 1 46 46 ASP H    H 1 7.06 . . 1 . . . . . . . . 398 1 
      28 . 1 1 46 46 ASP HA   H 1 4.23 . . 1 . . . . . . . . 398 1 
      29 . 1 1 46 46 ASP HB2  H 1 2.61 . . 2 . . . . . . . . 398 1 
      30 . 1 1 46 46 ASP HB3  H 1 2.69 . . 2 . . . . . . . . 398 1 
      31 . 1 1 47 47 ALA H    H 1 7.75 . . 1 . . . . . . . . 398 1 
      32 . 1 1 47 47 ALA HA   H 1 3.5  . . 1 . . . . . . . . 398 1 
      33 . 1 1 47 47 ALA HB1  H 1  .92 . . 1 . . . . . . . . 398 1 
      34 . 1 1 47 47 ALA HB2  H 1  .92 . . 1 . . . . . . . . 398 1 
      35 . 1 1 47 47 ALA HB3  H 1  .92 . . 1 . . . . . . . . 398 1 
      36 . 1 1 48 48 ILE H    H 1 7.91 . . 1 . . . . . . . . 398 1 
      37 . 1 1 48 48 ILE HA   H 1 3.19 . . 1 . . . . . . . . 398 1 
      38 . 1 1 48 48 ILE HB   H 1 1.86 . . 1 . . . . . . . . 398 1 
      39 . 1 1 48 48 ILE HG12 H 1  .53 . . 2 . . . . . . . . 398 1 
      40 . 1 1 48 48 ILE HG13 H 1 1.69 . . 2 . . . . . . . . 398 1 
      41 . 1 1 48 48 ILE HG21 H 1  .8  . . 1 . . . . . . . . 398 1 
      42 . 1 1 48 48 ILE HG22 H 1  .8  . . 1 . . . . . . . . 398 1 
      43 . 1 1 48 48 ILE HG23 H 1  .8  . . 1 . . . . . . . . 398 1 
      44 . 1 1 48 48 ILE HD11 H 1  .69 . . 1 . . . . . . . . 398 1 
      45 . 1 1 48 48 ILE HD12 H 1  .69 . . 1 . . . . . . . . 398 1 
      46 . 1 1 48 48 ILE HD13 H 1  .69 . . 1 . . . . . . . . 398 1 
      47 . 1 1 49 49 ASP H    H 1 8.08 . . 1 . . . . . . . . 398 1 
      48 . 1 1 49 49 ASP HA   H 1 4.36 . . 1 . . . . . . . . 398 1 
      49 . 1 1 49 49 ASP HB2  H 1 2.68 . . 1 . . . . . . . . 398 1 
      50 . 1 1 49 49 ASP HB3  H 1 2.68 . . 1 . . . . . . . . 398 1 
      51 . 1 1 50 50 ALA H    H 1 7.37 . . 1 . . . . . . . . 398 1 
      52 . 1 1 50 50 ALA HA   H 1 4.11 . . 1 . . . . . . . . 398 1 
      53 . 1 1 50 50 ALA HB1  H 1 1.23 . . 1 . . . . . . . . 398 1 
      54 . 1 1 50 50 ALA HB2  H 1 1.23 . . 1 . . . . . . . . 398 1 
      55 . 1 1 50 50 ALA HB3  H 1 1.23 . . 1 . . . . . . . . 398 1 

   stop_

save_