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                      554
   _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 . 554 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 GLY HA2  H 1 3.99 . . 2 . . . . . . . . 554 1 
        2 . 1 1  1  1 GLY HA3  H 1 3.92 . . 2 . . . . . . . . 554 1 
        3 . 1 1  2  2 ILE H    H 1 8.43 . . 1 . . . . . . . . 554 1 
        4 . 1 1  2  2 ILE HA   H 1 3.78 . . 1 . . . . . . . . 554 1 
        5 . 1 1  2  2 ILE HB   H 1 1.12 . . 1 . . . . . . . . 554 1 
        6 . 1 1  2  2 ILE HG12 H 1 1.09 . . 2 . . . . . . . . 554 1 
        7 . 1 1  2  2 ILE HG13 H 1  .9  . . 2 . . . . . . . . 554 1 
        8 . 1 1  2  2 ILE HG21 H 1  .71 . . 1 . . . . . . . . 554 1 
        9 . 1 1  2  2 ILE HG22 H 1  .71 . . 1 . . . . . . . . 554 1 
       10 . 1 1  2  2 ILE HG23 H 1  .71 . . 1 . . . . . . . . 554 1 
       11 . 1 1  2  2 ILE HD11 H 1  .57 . . 1 . . . . . . . . 554 1 
       12 . 1 1  2  2 ILE HD12 H 1  .57 . . 1 . . . . . . . . 554 1 
       13 . 1 1  2  2 ILE HD13 H 1  .57 . . 1 . . . . . . . . 554 1 
       14 . 1 1  3  3 VAL H    H 1 8.16 . . 1 . . . . . . . . 554 1 
       15 . 1 1  3  3 VAL HA   H 1 3.53 . . 1 . . . . . . . . 554 1 
       16 . 1 1  3  3 VAL HB   H 1 1.91 . . 1 . . . . . . . . 554 1 
       17 . 1 1  3  3 VAL HG11 H 1  .92 . . 2 . . . . . . . . 554 1 
       18 . 1 1  3  3 VAL HG12 H 1  .92 . . 2 . . . . . . . . 554 1 
       19 . 1 1  3  3 VAL HG13 H 1  .92 . . 2 . . . . . . . . 554 1 
       20 . 1 1  3  3 VAL HG21 H 1  .85 . . 2 . . . . . . . . 554 1 
       21 . 1 1  3  3 VAL HG22 H 1  .85 . . 2 . . . . . . . . 554 1 
       22 . 1 1  3  3 VAL HG23 H 1  .85 . . 2 . . . . . . . . 554 1 
       23 . 1 1  4  4 GLU H    H 1 8.29 . . 1 . . . . . . . . 554 1 
       24 . 1 1  4  4 GLU HA   H 1 4.09 . . 1 . . . . . . . . 554 1 
       25 . 1 1  4  4 GLU HB2  H 1 2.08 . . 2 . . . . . . . . 554 1 
       26 . 1 1  4  4 GLU HB3  H 1 1.95 . . 2 . . . . . . . . 554 1 
       27 . 1 1  4  4 GLU HG2  H 1 2.49 . . 2 . . . . . . . . 554 1 
       28 . 1 1  4  4 GLU HG3  H 1 2.27 . . 2 . . . . . . . . 554 1 
       29 . 1 1  5  5 GLN H    H 1 8.15 . . 1 . . . . . . . . 554 1 
       30 . 1 1  5  5 GLN HA   H 1 4.01 . . 1 . . . . . . . . 554 1 
       31 . 1 1  5  5 GLN HB2  H 1 2.04 . . 2 . . . . . . . . 554 1 
       32 . 1 1  5  5 GLN HB3  H 1 2    . . 2 . . . . . . . . 554 1 
       33 . 1 1  5  5 GLN HG2  H 1 2.44 . . 2 . . . . . . . . 554 1 
       34 . 1 1  5  5 GLN HG3  H 1 2.33 . . 2 . . . . . . . . 554 1 
       35 . 1 1  5  5 GLN HE21 H 1 7.44 . . 2 . . . . . . . . 554 1 
       36 . 1 1  5  5 GLN HE22 H 1 6.73 . . 2 . . . . . . . . 554 1 
       37 . 1 1  6  6 CYS H    H 1 8.17 . . 1 . . . . . . . . 554 1 
       38 . 1 1  6  6 CYS HA   H 1 4.82 . . 1 . . . . . . . . 554 1 
       39 . 1 1  6  6 CYS HB2  H 1 3.19 . . 2 . . . . . . . . 554 1 
       40 . 1 1  6  6 CYS HB3  H 1 2.86 . . 2 . . . . . . . . 554 1 
       41 . 1 1  7  7 CYS H    H 1 8.24 . . 1 . . . . . . . . 554 1 
       42 . 1 1  7  7 CYS HA   H 1 4.79 . . 1 . . . . . . . . 554 1 
       43 . 1 1  7  7 CYS HB2  H 1 3.71 . . 2 . . . . . . . . 554 1 
       44 . 1 1  7  7 CYS HB3  H 1 3.32 . . 2 . . . . . . . . 554 1 
       45 . 1 1  8  8 THR H    H 1 8.1  . . 1 . . . . . . . . 554 1 
       46 . 1 1  8  8 THR HA   H 1 4.02 . . 1 . . . . . . . . 554 1 
       47 . 1 1  8  8 THR HB   H 1 4.36 . . 1 . . . . . . . . 554 1 
       48 . 1 1  8  8 THR HG21 H 1 1.19 . . 1 . . . . . . . . 554 1 
       49 . 1 1  8  8 THR HG22 H 1 1.19 . . 1 . . . . . . . . 554 1 
       50 . 1 1  8  8 THR HG23 H 1 1.19 . . 1 . . . . . . . . 554 1 
       51 . 1 1  9  9 SER H    H 1 7.17 . . 1 . . . . . . . . 554 1 
       52 . 1 1  9  9 SER HA   H 1 4.66 . . 1 . . . . . . . . 554 1 
       53 . 1 1  9  9 SER HB2  H 1 3.98 . . 2 . . . . . . . . 554 1 
       54 . 1 1  9  9 SER HB3  H 1 3.8  . . 2 . . . . . . . . 554 1 
       55 . 1 1 10 10 ILE H    H 1 7.7  . . 1 . . . . . . . . 554 1 
       56 . 1 1 10 10 ILE HA   H 1 4.45 . . 1 . . . . . . . . 554 1 
       57 . 1 1 10 10 ILE HB   H 1 1.51 . . 1 . . . . . . . . 554 1 
       58 . 1 1 10 10 ILE HG12 H 1 1.12 . . 2 . . . . . . . . 554 1 
       59 . 1 1 10 10 ILE HG13 H 1  .5  . . 2 . . . . . . . . 554 1 
       60 . 1 1 10 10 ILE HG21 H 1  .64 . . 1 . . . . . . . . 554 1 
       61 . 1 1 10 10 ILE HG22 H 1  .64 . . 1 . . . . . . . . 554 1 
       62 . 1 1 10 10 ILE HG23 H 1  .64 . . 1 . . . . . . . . 554 1 
       63 . 1 1 10 10 ILE HD11 H 1  .57 . . 1 . . . . . . . . 554 1 
       64 . 1 1 10 10 ILE HD12 H 1  .57 . . 1 . . . . . . . . 554 1 
       65 . 1 1 10 10 ILE HD13 H 1  .57 . . 1 . . . . . . . . 554 1 
       66 . 1 1 11 11 CYS H    H 1 9.39 . . 1 . . . . . . . . 554 1 
       67 . 1 1 11 11 CYS HA   H 1 5.07 . . 1 . . . . . . . . 554 1 
       68 . 1 1 11 11 CYS HB2  H 1 3.32 . . 2 . . . . . . . . 554 1 
       69 . 1 1 11 11 CYS HB3  H 1 2.99 . . 2 . . . . . . . . 554 1 
       70 . 1 1 12 12 SER H    H 1 8.53 . . 1 . . . . . . . . 554 1 
       71 . 1 1 12 12 SER HA   H 1 4.57 . . 1 . . . . . . . . 554 1 
       72 . 1 1 12 12 SER HB2  H 1 4.23 . . 2 . . . . . . . . 554 1 
       73 . 1 1 12 12 SER HB3  H 1 3.91 . . 2 . . . . . . . . 554 1 
       74 . 1 1 13 13 LEU H    H 1 8.54 . . 1 . . . . . . . . 554 1 
       75 . 1 1 13 13 LEU HA   H 1 3.94 . . 1 . . . . . . . . 554 1 
       76 . 1 1 13 13 LEU HB2  H 1 1.51 . . 2 . . . . . . . . 554 1 
       77 . 1 1 13 13 LEU HB3  H 1 1.4  . . 2 . . . . . . . . 554 1 
       78 . 1 1 13 13 LEU HG   H 1 1.53 . . 1 . . . . . . . . 554 1 
       79 . 1 1 13 13 LEU HD11 H 1  .86 . . 2 . . . . . . . . 554 1 
       80 . 1 1 13 13 LEU HD12 H 1  .86 . . 2 . . . . . . . . 554 1 
       81 . 1 1 13 13 LEU HD13 H 1  .86 . . 2 . . . . . . . . 554 1 
       82 . 1 1 13 13 LEU HD21 H 1  .78 . . 2 . . . . . . . . 554 1 
       83 . 1 1 13 13 LEU HD22 H 1  .78 . . 2 . . . . . . . . 554 1 
       84 . 1 1 13 13 LEU HD23 H 1  .78 . . 2 . . . . . . . . 554 1 
       85 . 1 1 14 14 TYR H    H 1 7.38 . . 1 . . . . . . . . 554 1 
       86 . 1 1 14 14 TYR HA   H 1 4.14 . . 1 . . . . . . . . 554 1 
       87 . 1 1 14 14 TYR HB2  H 1 2.97 . . 2 . . . . . . . . 554 1 
       88 . 1 1 14 14 TYR HB3  H 1 2.87 . . 2 . . . . . . . . 554 1 
       89 . 1 1 14 14 TYR HD1  H 1 7.05 . . 1 . . . . . . . . 554 1 
       90 . 1 1 14 14 TYR HD2  H 1 7.05 . . 1 . . . . . . . . 554 1 
       91 . 1 1 14 14 TYR HE1  H 1 6.8  . . 1 . . . . . . . . 554 1 
       92 . 1 1 14 14 TYR HE2  H 1 6.8  . . 1 . . . . . . . . 554 1 
       93 . 1 1 15 15 GLN H    H 1 7.47 . . 1 . . . . . . . . 554 1 
       94 . 1 1 15 15 GLN HA   H 1 3.96 . . 1 . . . . . . . . 554 1 
       95 . 1 1 15 15 GLN HB2  H 1 2.33 . . 2 . . . . . . . . 554 1 
       96 . 1 1 15 15 GLN HB3  H 1 1.96 . . 2 . . . . . . . . 554 1 
       97 . 1 1 15 15 GLN HG2  H 1 2.42 . . 2 . . . . . . . . 554 1 
       98 . 1 1 15 15 GLN HG3  H 1 2.33 . . 2 . . . . . . . . 554 1 
       99 . 1 1 15 15 GLN HE21 H 1 7.37 . . 2 . . . . . . . . 554 1 
      100 . 1 1 15 15 GLN HE22 H 1 6.85 . . 2 . . . . . . . . 554 1 
      101 . 1 1 16 16 LEU H    H 1 7.94 . . 1 . . . . . . . . 554 1 
      102 . 1 1 16 16 LEU HA   H 1 4.11 . . 1 . . . . . . . . 554 1 
      103 . 1 1 16 16 LEU HB2  H 1 1.86 . . 2 . . . . . . . . 554 1 
      104 . 1 1 16 16 LEU HB3  H 1 1.59 . . 2 . . . . . . . . 554 1 
      105 . 1 1 16 16 LEU HG   H 1 1.7  . . 1 . . . . . . . . 554 1 
      106 . 1 1 16 16 LEU HD11 H 1  .8  . . 2 . . . . . . . . 554 1 
      107 . 1 1 16 16 LEU HD12 H 1  .8  . . 2 . . . . . . . . 554 1 
      108 . 1 1 16 16 LEU HD13 H 1  .8  . . 2 . . . . . . . . 554 1 
      109 . 1 1 16 16 LEU HD21 H 1  .75 . . 2 . . . . . . . . 554 1 
      110 . 1 1 16 16 LEU HD22 H 1  .75 . . 2 . . . . . . . . 554 1 
      111 . 1 1 16 16 LEU HD23 H 1  .75 . . 2 . . . . . . . . 554 1 
      112 . 1 1 17 17 GLU H    H 1 7.96 . . 1 . . . . . . . . 554 1 
      113 . 1 1 17 17 GLU HA   H 1 4.13 . . 1 . . . . . . . . 554 1 
      114 . 1 1 17 17 GLU HB2  H 1 2.06 . . 2 . . . . . . . . 554 1 
      115 . 1 1 17 17 GLU HB3  H 1 1.96 . . 2 . . . . . . . . 554 1 
      116 . 1 1 17 17 GLU HG2  H 1 2.52 . . 2 . . . . . . . . 554 1 
      117 . 1 1 17 17 GLU HG3  H 1 2.33 . . 2 . . . . . . . . 554 1 
      118 . 1 1 18 18 ASN H    H 1 7.38 . . 1 . . . . . . . . 554 1 
      119 . 1 1 18 18 ASN HA   H 1 4.41 . . 1 . . . . . . . . 554 1 
      120 . 1 1 18 18 ASN HB2  H 1 2.56 . . 2 . . . . . . . . 554 1 
      121 . 1 1 18 18 ASN HB3  H 1 2.45 . . 2 . . . . . . . . 554 1 
      122 . 1 1 18 18 ASN HD21 H 1 7.09 . . 2 . . . . . . . . 554 1 
      123 . 1 1 18 18 ASN HD22 H 1 6.34 . . 2 . . . . . . . . 554 1 
      124 . 1 1 19 19 TYR H    H 1 7.84 . . 1 . . . . . . . . 554 1 
      125 . 1 1 19 19 TYR HA   H 1 4.4  . . 1 . . . . . . . . 554 1 
      126 . 1 1 19 19 TYR HB2  H 1 3.29 . . 2 . . . . . . . . 554 1 
      127 . 1 1 19 19 TYR HB3  H 1 2.91 . . 2 . . . . . . . . 554 1 
      128 . 1 1 19 19 TYR HD1  H 1 7.28 . . 1 . . . . . . . . 554 1 
      129 . 1 1 19 19 TYR HD2  H 1 7.28 . . 1 . . . . . . . . 554 1 
      130 . 1 1 19 19 TYR HE1  H 1 6.71 . . 1 . . . . . . . . 554 1 
      131 . 1 1 19 19 TYR HE2  H 1 6.71 . . 1 . . . . . . . . 554 1 
      132 . 1 1 20 20 CYS H    H 1 7.35 . . 1 . . . . . . . . 554 1 
      133 . 1 1 20 20 CYS HA   H 1 4.72 . . 1 . . . . . . . . 554 1 
      134 . 1 1 20 20 CYS HB2  H 1 3.2  . . 2 . . . . . . . . 554 1 
      135 . 1 1 20 20 CYS HB3  H 1 2.78 . . 2 . . . . . . . . 554 1 
      136 . 1 1 21 21 ASN H    H 1 7.86 . . 1 . . . . . . . . 554 1 
      137 . 1 1 21 21 ASN HA   H 1 4.52 . . 1 . . . . . . . . 554 1 
      138 . 1 1 21 21 ASN HB2  H 1 2.75 . . 2 . . . . . . . . 554 1 
      139 . 1 1 21 21 ASN HB3  H 1 2.61 . . 2 . . . . . . . . 554 1 
      140 . 1 1 21 21 ASN HD21 H 1 7.35 . . 2 . . . . . . . . 554 1 
      141 . 1 1 21 21 ASN HD22 H 1 6.5  . . 2 . . . . . . . . 554 1 

   stop_

save_