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                      181
   _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 . 181 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  18  18 PHE HD1  H 1  6.4  . . 1 . . . . . . . . 181 1 
        2 . 1 1  18  18 PHE HD2  H 1  6.4  . . 1 . . . . . . . . 181 1 
        3 . 1 1  18  18 PHE HE1  H 1  5.75 . . 3 . . . . . . . . 181 1 
        4 . 1 1  18  18 PHE HE2  H 1  5.79 . . 3 . . . . . . . . 181 1 
        5 . 1 1  18  18 PHE HZ   H 1  6.54 . . 1 . . . . . . . . 181 1 
        6 . 1 1  27  27 HIS HD2  H 1  6.85 . . 1 . . . . . . . . 181 1 
        7 . 1 1  27  27 HIS HE1  H 1  7.64 . . 1 . . . . . . . . 181 1 
        8 . 1 1  29  29 PHE HD1  H 1  6.34 . . 1 . . . . . . . . 181 1 
        9 . 1 1  29  29 PHE HD2  H 1  6.34 . . 1 . . . . . . . . 181 1 
       10 . 1 1  29  29 PHE HE1  H 1  5.92 . . 1 . . . . . . . . 181 1 
       11 . 1 1  29  29 PHE HE2  H 1  5.92 . . 1 . . . . . . . . 181 1 
       12 . 1 1  29  29 PHE HZ   H 1  5.54 . . 1 . . . . . . . . 181 1 
       13 . 1 1  30  30 PHE HD1  H 1  6.74 . . 1 . . . . . . . . 181 1 
       14 . 1 1  30  30 PHE HD2  H 1  6.74 . . 1 . . . . . . . . 181 1 
       15 . 1 1  30  30 PHE HE1  H 1  6.12 . . 1 . . . . . . . . 181 1 
       16 . 1 1  30  30 PHE HE2  H 1  6.12 . . 1 . . . . . . . . 181 1 
       17 . 1 1  30  30 PHE HZ   H 1  6.92 . . 1 . . . . . . . . 181 1 
       18 . 1 1  33  33 VAL HA   H 1  2.93 . . 1 . . . . . . . . 181 1 
       19 . 1 1  33  33 VAL HB   H 1  1.5  . . 1 . . . . . . . . 181 1 
       20 . 1 1  33  33 VAL HG11 H 1   .43 . . 1 . . . . . . . . 181 1 
       21 . 1 1  33  33 VAL HG12 H 1   .43 . . 1 . . . . . . . . 181 1 
       22 . 1 1  33  33 VAL HG13 H 1   .43 . . 1 . . . . . . . . 181 1 
       23 . 1 1  33  33 VAL HG21 H 1  -.41 . . 1 . . . . . . . . 181 1 
       24 . 1 1  33  33 VAL HG22 H 1  -.41 . . 1 . . . . . . . . 181 1 
       25 . 1 1  33  33 VAL HG23 H 1  -.41 . . 1 . . . . . . . . 181 1 
       26 . 1 1  44  44 PHE HD1  H 1  6.9  . . 1 . . . . . . . . 181 1 
       27 . 1 1  44  44 PHE HD2  H 1  6.9  . . 1 . . . . . . . . 181 1 
       28 . 1 1  44  44 PHE HE1  H 1  6.01 . . 1 . . . . . . . . 181 1 
       29 . 1 1  44  44 PHE HE2  H 1  6.01 . . 1 . . . . . . . . 181 1 
       30 . 1 1  44  44 PHE HZ   H 1  6.08 . . 1 . . . . . . . . 181 1 
       31 . 1 1  46  46 PHE HD1  H 1  6.84 . . 1 . . . . . . . . 181 1 
       32 . 1 1  46  46 PHE HD2  H 1  6.84 . . 1 . . . . . . . . 181 1 
       33 . 1 1  46  46 PHE HE1  H 1  6.34 . . 1 . . . . . . . . 181 1 
       34 . 1 1  46  46 PHE HE2  H 1  6.34 . . 1 . . . . . . . . 181 1 
       35 . 1 1  46  46 PHE HZ   H 1  6.58 . . 1 . . . . . . . . 181 1 
       36 . 1 1  63  63 HIS HD2  H 1  7.18 . . 1 . . . . . . . . 181 1 
       37 . 1 1  63  63 HIS HE1  H 1  5.42 . . 1 . . . . . . . . 181 1 
       38 . 1 1  67  67 VAL H    H 1  7.56 . . 1 . . . . . . . . 181 1 
       39 . 1 1  67  67 VAL HA   H 1  3.61 . . 1 . . . . . . . . 181 1 
       40 . 1 1  67  67 VAL HB   H 1  1.2  . . 1 . . . . . . . . 181 1 
       41 . 1 1  68  68 PHE HD1  H 1  6.54 . . 1 . . . . . . . . 181 1 
       42 . 1 1  68  68 PHE HD2  H 1  6.54 . . 1 . . . . . . . . 181 1 
       43 . 1 1  68  68 PHE HE1  H 1  5.64 . . 1 . . . . . . . . 181 1 
       44 . 1 1  68  68 PHE HE2  H 1  5.64 . . 1 . . . . . . . . 181 1 
       45 . 1 1  70  70 LEU HG   H 1  2.3  . . 1 . . . . . . . . 181 1 
       46 . 1 1  70  70 LEU HD11 H 1  1.37 . . 1 . . . . . . . . 181 1 
       47 . 1 1  70  70 LEU HD12 H 1  1.37 . . 1 . . . . . . . . 181 1 
       48 . 1 1  70  70 LEU HD13 H 1  1.37 . . 1 . . . . . . . . 181 1 
       49 . 1 1  70  70 LEU HD21 H 1  1.59 . . 1 . . . . . . . . 181 1 
       50 . 1 1  70  70 LEU HD22 H 1  1.59 . . 1 . . . . . . . . 181 1 
       51 . 1 1  70  70 LEU HD23 H 1  1.59 . . 1 . . . . . . . . 181 1 
       52 . 1 1  93  93 LEU HG   H 1  1.43 . . 1 . . . . . . . . 181 1 
       53 . 1 1  93  93 LEU HD11 H 1   .41 . . 1 . . . . . . . . 181 1 
       54 . 1 1  93  93 LEU HD12 H 1   .41 . . 1 . . . . . . . . 181 1 
       55 . 1 1  93  93 LEU HD13 H 1   .41 . . 1 . . . . . . . . 181 1 
       56 . 1 1  93  93 LEU HD21 H 1   .61 . . 1 . . . . . . . . 181 1 
       57 . 1 1  93  93 LEU HD22 H 1   .61 . . 1 . . . . . . . . 181 1 
       58 . 1 1  93  93 LEU HD23 H 1   .61 . . 1 . . . . . . . . 181 1 
       59 . 1 1  96  96 VAL HA   H 1  3.29 . . 1 . . . . . . . . 181 1 
       60 . 1 1  96  96 VAL HB   H 1  1.01 . . 1 . . . . . . . . 181 1 
       61 . 1 1  96  96 VAL HG11 H 1   .05 . . 1 . . . . . . . . 181 1 
       62 . 1 1  96  96 VAL HG12 H 1   .05 . . 1 . . . . . . . . 181 1 
       63 . 1 1  96  96 VAL HG13 H 1   .05 . . 1 . . . . . . . . 181 1 
       64 . 1 1  96  96 VAL HG21 H 1   .86 . . 1 . . . . . . . . 181 1 
       65 . 1 1  96  96 VAL HG22 H 1   .86 . . 1 . . . . . . . . 181 1 
       66 . 1 1  96  96 VAL HG23 H 1   .86 . . 1 . . . . . . . . 181 1 
       67 . 1 1  97  97 HIS HD2  H 1   .53 . . 1 . . . . . . . . 181 1 
       68 . 1 1  97  97 HIS HE1  H 1  1.44 . . 1 . . . . . . . . 181 1 
       69 . 1 1 102 102 VAL HB   H 1  1.19 . . 1 . . . . . . . . 181 1 
       70 . 1 1 102 102 VAL HG11 H 1   .5  . . 1 . . . . . . . . 181 1 
       71 . 1 1 102 102 VAL HG12 H 1   .5  . . 1 . . . . . . . . 181 1 
       72 . 1 1 102 102 VAL HG13 H 1   .5  . . 1 . . . . . . . . 181 1 
       73 . 1 1 102 102 VAL HG21 H 1   .55 . . 1 . . . . . . . . 181 1 
       74 . 1 1 102 102 VAL HG22 H 1   .55 . . 1 . . . . . . . . 181 1 
       75 . 1 1 102 102 VAL HG23 H 1   .55 . . 1 . . . . . . . . 181 1 
       76 . 1 1 106 106 HIS HB2  H 1  4.13 . . 1 . . . . . . . . 181 1 
       77 . 1 1 106 106 HIS HB3  H 1  4.13 . . 1 . . . . . . . . 181 1 
       78 . 1 1 106 106 HIS HD2  H 1  7.14 . . 1 . . . . . . . . 181 1 
       79 . 1 1 106 106 HIS HE1  H 1  7.95 . . 1 . . . . . . . . 181 1 
       80 . 1 1 107 107 PHE HD1  H 1  8.14 . . 1 . . . . . . . . 181 1 
       81 . 1 1 107 107 PHE HD2  H 1  8.14 . . 1 . . . . . . . . 181 1 
       82 . 1 1 107 107 PHE HE1  H 1  7.09 . . 1 . . . . . . . . 181 1 
       83 . 1 1 107 107 PHE HE2  H 1  7.09 . . 1 . . . . . . . . 181 1 
       84 . 1 1 107 107 PHE HZ   H 1  6.46 . . 1 . . . . . . . . 181 1 
       85 . 1 1 110 110 VAL HA   H 1  3.18 . . 1 . . . . . . . . 181 1 
       86 . 1 1 110 110 VAL HB   H 1  2.51 . . 1 . . . . . . . . 181 1 
       87 . 1 1 110 110 VAL HG11 H 1   .22 . . 1 . . . . . . . . 181 1 
       88 . 1 1 110 110 VAL HG12 H 1   .22 . . 1 . . . . . . . . 181 1 
       89 . 1 1 110 110 VAL HG13 H 1   .22 . . 1 . . . . . . . . 181 1 
       90 . 1 1 110 110 VAL HG21 H 1   .39 . . 1 . . . . . . . . 181 1 
       91 . 1 1 110 110 VAL HG22 H 1   .39 . . 1 . . . . . . . . 181 1 
       92 . 1 1 110 110 VAL HG23 H 1   .39 . . 1 . . . . . . . . 181 1 
       93 . 1 1 126 126 TRP HE3  H 1  7.38 . . 1 . . . . . . . . 181 1 
       94 . 1 1 126 126 TRP HZ2  H 1  7.37 . . 1 . . . . . . . . 181 1 
       95 . 1 1 126 126 TRP HZ3  H 1  6.99 . . 1 . . . . . . . . 181 1 
       96 . 1 1 126 126 TRP HH2  H 1  7.23 . . 1 . . . . . . . . 181 1 
       97 . 1 1 134 134 TRP HD1  H 1  7.38 . . 1 . . . . . . . . 181 1 
       98 . 1 1 134 134 TRP HE1  H 1 10.24 . . 1 . . . . . . . . 181 1 
       99 . 1 1 134 134 TRP HE3  H 1  7.44 . . 1 . . . . . . . . 181 1 
      100 . 1 1 134 134 TRP HZ2  H 1  7.69 . . 1 . . . . . . . . 181 1 
      101 . 1 1 134 134 TRP HZ3  H 1  6.91 . . 1 . . . . . . . . 181 1 
      102 . 1 1 134 134 TRP HH2  H 1  7.18 . . 1 . . . . . . . . 181 1 
      103 . 1 1 145 145 ILE HA   H 1  3.04 . . 1 . . . . . . . . 181 1 
      104 . 1 1 145 145 ILE HB   H 1  1.42 . . 1 . . . . . . . . 181 1 
      105 . 1 1 145 145 ILE HG12 H 1   .47 . . 2 . . . . . . . . 181 1 
      106 . 1 1 145 145 ILE HG13 H 1  1.5  . . 2 . . . . . . . . 181 1 
      107 . 1 1 145 145 ILE HG21 H 1  -.33 . . 1 . . . . . . . . 181 1 
      108 . 1 1 145 145 ILE HG22 H 1  -.33 . . 1 . . . . . . . . 181 1 
      109 . 1 1 145 145 ILE HG23 H 1  -.33 . . 1 . . . . . . . . 181 1 
      110 . 1 1 145 145 ILE HD11 H 1   .27 . . 1 . . . . . . . . 181 1 
      111 . 1 1 145 145 ILE HD12 H 1   .27 . . 1 . . . . . . . . 181 1 
      112 . 1 1 145 145 ILE HD13 H 1   .27 . . 1 . . . . . . . . 181 1 
      113 . 1 1 149 149 MET HE1  H 1  1.59 . . 1 . . . . . . . . 181 1 
      114 . 1 1 149 149 MET HE2  H 1  1.59 . . 1 . . . . . . . . 181 1 
      115 . 1 1 149 149 MET HE3  H 1  1.59 . . 1 . . . . . . . . 181 1 

   stop_

save_