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                      136
   _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 . 136 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  65  65 ALA H   H 1 8.88 . . 1 . . . . . . . . 136 1 
       2 . 1 1  65  65 ALA HA  H 1 4.16 . . 1 . . . . . . . . 136 1 
       3 . 1 1  65  65 ALA HB1 H 1 1.74 . . 1 . . . . . . . . 136 1 
       4 . 1 1  65  65 ALA HB2 H 1 1.74 . . 1 . . . . . . . . 136 1 
       5 . 1 1  65  65 ALA HB3 H 1 1.74 . . 1 . . . . . . . . 136 1 
       6 . 1 1  66  66 SER H   H 1 8.29 . . 1 . . . . . . . . 136 1 
       7 . 1 1  67  67 ALA H   H 1 8.38 . . 1 . . . . . . . . 136 1 
       8 . 1 1  67  67 ALA HA  H 1 4.05 . . 1 . . . . . . . . 136 1 
       9 . 1 1  67  67 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 136 1 
      10 . 1 1  67  67 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 136 1 
      11 . 1 1  67  67 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 136 1 
      12 . 1 1  68  68 PHE H   H 1 8.09 . . 1 . . . . . . . . 136 1 
      13 . 1 1  69  69 THR H   H 1 8.6  . . 1 . . . . . . . . 136 1 
      14 . 1 1  70  70 LYS H   H 1 8.06 . . 1 . . . . . . . . 136 1 
      15 . 1 1  71  71 LYS H   H 1 7.9  . . 1 . . . . . . . . 136 1 
      16 . 1 1  72  72 MET H   H 1 7.64 . . 1 . . . . . . . . 136 1 
      17 . 1 1  73  73 VAL H   H 1 8.29 . . 1 . . . . . . . . 136 1 
      18 . 1 1  74  74 GLU H   H 1 8.77 . . 1 . . . . . . . . 136 1 
      19 . 1 1  75  75 ASN H   H 1 7.33 . . 1 . . . . . . . . 136 1 
      20 . 1 1  76  76 ALA H   H 1 6.69 . . 1 . . . . . . . . 136 1 
      21 . 1 1  76  76 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 136 1 
      22 . 1 1  76  76 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 136 1 
      23 . 1 1  76  76 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 136 1 
      24 . 1 1 107 107 ASN H   H 1 9.65 . . 1 . . . . . . . . 136 1 
      25 . 1 1 108 108 GLU H   H 1 6.19 . . 1 . . . . . . . . 136 1 
      26 . 1 1 109 109 ALA H   H 1 7.83 . . 1 . . . . . . . . 136 1 
      27 . 1 1 109 109 ALA HA  H 1 4.07 . . 1 . . . . . . . . 136 1 
      28 . 1 1 109 109 ALA HB1 H 1 1.72 . . 1 . . . . . . . . 136 1 
      29 . 1 1 109 109 ALA HB2 H 1 1.72 . . 1 . . . . . . . . 136 1 
      30 . 1 1 109 109 ALA HB3 H 1 1.72 . . 1 . . . . . . . . 136 1 
      31 . 1 1 110 110 LEU H   H 1 7.95 . . 1 . . . . . . . . 136 1 
      32 . 1 1 111 111 VAL H   H 1 6.88 . . 1 . . . . . . . . 136 1 
      33 . 1 1 112 112 ARG H   H 1 9.12 . . 1 . . . . . . . . 136 1 
      34 . 1 1 113 113 GLN H   H 1 7.09 . . 1 . . . . . . . . 136 1 
      35 . 1 1 114 114 GLY H   H 1 8.02 . . 1 . . . . . . . . 136 1 
      36 . 1 1 116 116 ALA HB1 H 1 1.04 . . 1 . . . . . . . . 136 1 
      37 . 1 1 116 116 ALA HB2 H 1 1.04 . . 1 . . . . . . . . 136 1 
      38 . 1 1 116 116 ALA HB3 H 1 1.04 . . 1 . . . . . . . . 136 1 
      39 . 1 1 132 132 LEU H   H 1 8.08 . . 1 . . . . . . . . 136 1 
      40 . 1 1 133 133 ARG H   H 1 8.9  . . 1 . . . . . . . . 136 1 
      41 . 1 1 134 134 LYS H   H 1 7.98 . . 1 . . . . . . . . 136 1 
      42 . 1 1 135 135 SER H   H 1 7.6  . . 1 . . . . . . . . 136 1 
      43 . 1 1 136 136 GLU H   H 1 8.44 . . 1 . . . . . . . . 136 1 
      44 . 1 1 137 137 ALA H   H 1 7.94 . . 1 . . . . . . . . 136 1 
      45 . 1 1 137 137 ALA HA  H 1 3.84 . . 1 . . . . . . . . 136 1 
      46 . 1 1 137 137 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 136 1 
      47 . 1 1 137 137 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 136 1 
      48 . 1 1 137 137 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 136 1 
      49 . 1 1 138 138 GLN H   H 1 7.44 . . 1 . . . . . . . . 136 1 
      50 . 1 1 139 139 ALA H   H 1 7.85 . . 1 . . . . . . . . 136 1 
      51 . 1 1 139 139 ALA HA  H 1 3.95 . . 1 . . . . . . . . 136 1 
      52 . 1 1 139 139 ALA HB1 H 1 1.76 . . 1 . . . . . . . . 136 1 
      53 . 1 1 139 139 ALA HB2 H 1 1.76 . . 1 . . . . . . . . 136 1 
      54 . 1 1 139 139 ALA HB3 H 1 1.76 . . 1 . . . . . . . . 136 1 
      55 . 1 1 140 140 LYS H   H 1 8.14 . . 1 . . . . . . . . 136 1 
      56 . 1 1 141 141 LYS H   H 1 7.76 . . 1 . . . . . . . . 136 1 
      57 . 1 1 142 142 GLU H   H 1 7.62 . . 1 . . . . . . . . 136 1 
      58 . 1 1 143 143 LYS H   H 1 7.8  . . 1 . . . . . . . . 136 1 
      59 . 1 1 144 144 LEU H   H 1 7.57 . . 1 . . . . . . . . 136 1 

   stop_

save_