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                      1154
   _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 . 1154 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 ASP H H 1 8.62 . . 1 . . . . . . . . 1154 1 
       2 . 1 1  4  4 ASN H H 1 8.73 . . 1 . . . . . . . . 1154 1 
       3 . 1 1  5  5 CYS H H 1 7.47 . . 1 . . . . . . . . 1154 1 
       4 . 1 1  6  6 SER H H 1 8.86 . . 1 . . . . . . . . 1154 1 
       5 . 1 1  7  7 CYS H H 1 8.45 . . 1 . . . . . . . . 1154 1 
       6 . 1 1  8  8 ALA H H 1 8.76 . . 1 . . . . . . . . 1154 1 
       7 . 1 1  9  9 ALA H H 1 8.41 . . 1 . . . . . . . . 1154 1 
       8 . 1 1 10 10 GLY H H 1 8.39 . . 1 . . . . . . . . 1154 1 
       9 . 1 1 11 11 ASP H H 1 8.48 . . 1 . . . . . . . . 1154 1 
      10 . 1 1 12 12 SER H H 1 8.26 . . 1 . . . . . . . . 1154 1 
      11 . 1 1 13 13 CYS H H 1 8.02 . . 1 . . . . . . . . 1154 1 
      12 . 1 1 14 14 THR H H 1 8.52 . . 1 . . . . . . . . 1154 1 
      13 . 1 1 15 15 CYS H H 1 8.7  . . 1 . . . . . . . . 1154 1 
      14 . 1 1 16 16 ALA H H 1 8.07 . . 1 . . . . . . . . 1154 1 
      15 . 1 1 17 17 GLY H H 1 8.51 . . 1 . . . . . . . . 1154 1 
      16 . 1 1 18 18 SER H H 1 7.95 . . 1 . . . . . . . . 1154 1 
      17 . 1 1 19 19 CYS H H 1 8.31 . . 1 . . . . . . . . 1154 1 
      18 . 1 1 20 20 LYS H H 1 9.14 . . 1 . . . . . . . . 1154 1 
      19 . 1 1 21 21 CYS H H 1 8.67 . . 1 . . . . . . . . 1154 1 
      20 . 1 1 22 22 LYS H H 1 8.73 . . 1 . . . . . . . . 1154 1 
      21 . 1 1 23 23 GLU H H 1 8.94 . . 1 . . . . . . . . 1154 1 
      22 . 1 1 24 24 CYS H H 1 8.94 . . 1 . . . . . . . . 1154 1 
      23 . 1 1 25 25 LYS H H 1 9.41 . . 1 . . . . . . . . 1154 1 
      24 . 1 1 26 26 CYS H H 1 8.59 . . 1 . . . . . . . . 1154 1 
      25 . 1 1 27 27 THR H H 1 9    . . 1 . . . . . . . . 1154 1 
      26 . 1 1 28 28 SER H H 1 8.4  . . 1 . . . . . . . . 1154 1 
      27 . 1 1 29 29 CYS H H 1 7.39 . . 1 . . . . . . . . 1154 1 
      28 . 1 1 30 30 LYS H H 1 7.55 . . 1 . . . . . . . . 1154 1 
      29 . 1 1 31 31 LYS H H 1 8.48 . . 1 . . . . . . . . 1154 1 
      30 . 1 1 32 32 SER H H 1 8.85 . . 1 . . . . . . . . 1154 1 
      31 . 1 1 33 33 CYS H H 1 8.14 . . 1 . . . . . . . . 1154 1 
      32 . 1 1 34 34 CYS H H 1 8.36 . . 1 . . . . . . . . 1154 1 
      33 . 1 1 35 35 SER H H 1 8.97 . . 1 . . . . . . . . 1154 1 
      34 . 1 1 36 36 CYS H H 1 8.54 . . 1 . . . . . . . . 1154 1 
      35 . 1 1 37 37 CYS H H 1 7.22 . . 1 . . . . . . . . 1154 1 
      36 . 1 1 39 39 VAL H H 1 8.58 . . 1 . . . . . . . . 1154 1 
      37 . 1 1 40 40 GLY H H 1 8.96 . . 1 . . . . . . . . 1154 1 
      38 . 1 1 41 41 CYS H H 1 7.03 . . 1 . . . . . . . . 1154 1 
      39 . 1 1 42 42 ALA H H 1 9.41 . . 1 . . . . . . . . 1154 1 
      40 . 1 1 43 43 LYS H H 1 8.32 . . 1 . . . . . . . . 1154 1 
      41 . 1 1 44 44 CYS H H 1 7.57 . . 1 . . . . . . . . 1154 1 
      42 . 1 1 45 45 ALA H H 1 7.09 . . 1 . . . . . . . . 1154 1 
      43 . 1 1 46 46 GLN H H 1 8.18 . . 1 . . . . . . . . 1154 1 
      44 . 1 1 47 47 GLY H H 1 7.39 . . 1 . . . . . . . . 1154 1 
      45 . 1 1 48 48 CYS H H 1 8.86 . . 1 . . . . . . . . 1154 1 
      46 . 1 1 49 49 ILE H H 1 7.23 . . 1 . . . . . . . . 1154 1 
      47 . 1 1 50 50 CYS H H 1 9.14 . . 1 . . . . . . . . 1154 1 
      48 . 1 1 51 51 LYS H H 1 8.55 . . 1 . . . . . . . . 1154 1 
      49 . 1 1 52 52 GLY H H 1 8.62 . . 1 . . . . . . . . 1154 1 
      50 . 1 1 53 53 ALA H H 1 8.18 . . 1 . . . . . . . . 1154 1 
      51 . 1 1 54 54 SER H H 1 8.19 . . 1 . . . . . . . . 1154 1 
      52 . 1 1 55 55 ASP H H 1 8.58 . . 1 . . . . . . . . 1154 1 
      53 . 1 1 56 56 LYS H H 1 7.9  . . 1 . . . . . . . . 1154 1 
      54 . 1 1 57 57 CYS H H 1 8.52 . . 1 . . . . . . . . 1154 1 
      55 . 1 1 58 58 SER H H 1 9.13 . . 1 . . . . . . . . 1154 1 
      56 . 1 1 59 59 CYS H H 1 8.43 . . 1 . . . . . . . . 1154 1 
      57 . 1 1 60 60 CYS H H 1 7.74 . . 1 . . . . . . . . 1154 1 
      58 . 1 1 61 61 ALA H H 1 7.15 . . 1 . . . . . . . . 1154 1 

   stop_

save_