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                      357
   _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 . 357 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 H    H 1 8.23 . . 1 . . . . . . . . 357 1 
        2 . 1 1  1  1 GLY HA2  H 1 3.86 . . 1 . . . . . . . . 357 1 
        3 . 1 1  1  1 GLY HA3  H 1 3.86 . . 1 . . . . . . . . 357 1 
        4 . 1 1  2  2 VAL H    H 1 8.57 . . 1 . . . . . . . . 357 1 
        5 . 1 1  2  2 VAL HA   H 1 4.12 . . 1 . . . . . . . . 357 1 
        6 . 1 1  2  2 VAL HB   H 1 2.04 . . 1 . . . . . . . . 357 1 
        7 . 1 1  2  2 VAL HG11 H 1  .91 . . 1 . . . . . . . . 357 1 
        8 . 1 1  2  2 VAL HG12 H 1  .91 . . 1 . . . . . . . . 357 1 
        9 . 1 1  2  2 VAL HG13 H 1  .91 . . 1 . . . . . . . . 357 1 
       10 . 1 1  2  2 VAL HG21 H 1  .91 . . 1 . . . . . . . . 357 1 
       11 . 1 1  2  2 VAL HG22 H 1  .91 . . 1 . . . . . . . . 357 1 
       12 . 1 1  2  2 VAL HG23 H 1  .91 . . 1 . . . . . . . . 357 1 
       13 . 1 1  3  3 HIS H    H 1 8.54 . . 1 . . . . . . . . 357 1 
       14 . 1 1  3  3 HIS HA   H 1 4.74 . . 1 . . . . . . . . 357 1 
       15 . 1 1  3  3 HIS HB2  H 1 3.26 . . 2 . . . . . . . . 357 1 
       16 . 1 1  3  3 HIS HB3  H 1 3.29 . . 2 . . . . . . . . 357 1 
       17 . 1 1  4  4 LEU H    H 1 8.36 . . 1 . . . . . . . . 357 1 
       18 . 1 1  4  4 LEU HA   H 1 4.29 . . 1 . . . . . . . . 357 1 
       19 . 1 1  4  4 LEU HB2  H 1 1.64 . . 1 . . . . . . . . 357 1 
       20 . 1 1  4  4 LEU HB3  H 1 1.64 . . 1 . . . . . . . . 357 1 
       21 . 1 1  4  4 LEU HG   H 1 1.64 . . 1 . . . . . . . . 357 1 
       22 . 1 1  5  5 HIS H    H 1 8.52 . . 1 . . . . . . . . 357 1 
       23 . 1 1  5  5 HIS HA   H 1 4.77 . . 1 . . . . . . . . 357 1 
       24 . 1 1  5  5 HIS HB2  H 1 3.23 . . 2 . . . . . . . . 357 1 
       25 . 1 1  5  5 HIS HB3  H 1 3.29 . . 2 . . . . . . . . 357 1 
       26 . 1 1  6  6 ARG H    H 1 8.39 . . 1 . . . . . . . . 357 1 
       27 . 1 1  6  6 ARG HA   H 1 4.35 . . 1 . . . . . . . . 357 1 
       28 . 1 1  6  6 ARG HB2  H 1 1.82 . . 1 . . . . . . . . 357 1 
       29 . 1 1  6  6 ARG HB3  H 1 1.82 . . 1 . . . . . . . . 357 1 
       30 . 1 1  6  6 ARG HG2  H 1 1.7  . . 1 . . . . . . . . 357 1 
       31 . 1 1  6  6 ARG HG3  H 1 1.7  . . 1 . . . . . . . . 357 1 
       32 . 1 1  6  6 ARG HD2  H 1 3.23 . . 1 . . . . . . . . 357 1 
       33 . 1 1  6  6 ARG HD3  H 1 3.23 . . 1 . . . . . . . . 357 1 
       34 . 1 1  6  6 ARG HE   H 1 7.56 . . 1 . . . . . . . . 357 1 
       35 . 1 1  7  7 ALA H    H 1 8.54 . . 1 . . . . . . . . 357 1 
       36 . 1 1  7  7 ALA HA   H 1 4.67 . . 1 . . . . . . . . 357 1 
       37 . 1 1  7  7 ALA HB1  H 1 1.41 . . 1 . . . . . . . . 357 1 
       38 . 1 1  7  7 ALA HB2  H 1 1.41 . . 1 . . . . . . . . 357 1 
       39 . 1 1  7  7 ALA HB3  H 1 1.41 . . 1 . . . . . . . . 357 1 
       40 . 1 1  8  8 PRO HA   H 1 4.39 . . 1 . . . . . . . . 357 1 
       41 . 1 1  8  8 PRO HB2  H 1 2.32 . . 1 . . . . . . . . 357 1 
       42 . 1 1  8  8 PRO HB3  H 1 2.32 . . 1 . . . . . . . . 357 1 
       43 . 1 1  8  8 PRO HG2  H 1 2    . . 1 . . . . . . . . 357 1 
       44 . 1 1  8  8 PRO HG3  H 1 2    . . 1 . . . . . . . . 357 1 
       45 . 1 1  8  8 PRO HD2  H 1 3.76 . . 1 . . . . . . . . 357 1 
       46 . 1 1  8  8 PRO HD3  H 1 3.76 . . 1 . . . . . . . . 357 1 
       47 . 1 1  9  9 LEU H    H 1 8.25 . . 1 . . . . . . . . 357 1 
       48 . 1 1  9  9 LEU HA   H 1 4.2  . . 1 . . . . . . . . 357 1 
       49 . 1 1  9  9 LEU HB2  H 1 1.81 . . 1 . . . . . . . . 357 1 
       50 . 1 1  9  9 LEU HB3  H 1 1.81 . . 1 . . . . . . . . 357 1 
       51 . 1 1  9  9 LEU HG   H 1 1.64 . . 1 . . . . . . . . 357 1 
       52 . 1 1  9  9 LEU HD11 H 1  .95 . . 1 . . . . . . . . 357 1 
       53 . 1 1  9  9 LEU HD12 H 1  .95 . . 1 . . . . . . . . 357 1 
       54 . 1 1  9  9 LEU HD13 H 1  .95 . . 1 . . . . . . . . 357 1 
       55 . 1 1  9  9 LEU HD21 H 1  .95 . . 1 . . . . . . . . 357 1 
       56 . 1 1  9  9 LEU HD22 H 1  .95 . . 1 . . . . . . . . 357 1 
       57 . 1 1  9  9 LEU HD23 H 1  .95 . . 1 . . . . . . . . 357 1 
       58 . 1 1 10 10 LEU H    H 1 7.98 . . 1 . . . . . . . . 357 1 
       59 . 1 1 10 10 LEU HA   H 1 4.2  . . 1 . . . . . . . . 357 1 
       60 . 1 1 10 10 LEU HB2  H 1 1.7  . . 1 . . . . . . . . 357 1 
       61 . 1 1 10 10 LEU HB3  H 1 1.7  . . 1 . . . . . . . . 357 1 
       62 . 1 1 10 10 LEU HG   H 1 1.65 . . 1 . . . . . . . . 357 1 
       63 . 1 1 10 10 LEU HD11 H 1  .9  . . 2 . . . . . . . . 357 1 
       64 . 1 1 10 10 LEU HD12 H 1  .9  . . 2 . . . . . . . . 357 1 
       65 . 1 1 10 10 LEU HD13 H 1  .9  . . 2 . . . . . . . . 357 1 
       66 . 1 1 10 10 LEU HD21 H 1  .95 . . 2 . . . . . . . . 357 1 
       67 . 1 1 10 10 LEU HD22 H 1  .95 . . 2 . . . . . . . . 357 1 
       68 . 1 1 10 10 LEU HD23 H 1  .95 . . 2 . . . . . . . . 357 1 
       69 . 1 1 11 11 ALA H    H 1 8.18 . . 1 . . . . . . . . 357 1 
       70 . 1 1 11 11 ALA HA   H 1 4.09 . . 1 . . . . . . . . 357 1 
       71 . 1 1 11 11 ALA HB1  H 1 1.37 . . 1 . . . . . . . . 357 1 
       72 . 1 1 11 11 ALA HB2  H 1 1.37 . . 1 . . . . . . . . 357 1 
       73 . 1 1 11 11 ALA HB3  H 1 1.37 . . 1 . . . . . . . . 357 1 
       74 . 1 1 12 12 HIS H    H 1 8.09 . . 1 . . . . . . . . 357 1 
       75 . 1 1 12 12 HIS HA   H 1 4.55 . . 1 . . . . . . . . 357 1 
       76 . 1 1 12 12 HIS HB2  H 1 3.29 . . 2 . . . . . . . . 357 1 
       77 . 1 1 12 12 HIS HB3  H 1 3.36 . . 2 . . . . . . . . 357 1 
       78 . 1 1 13 13 ARG H    H 1 8.06 . . 1 . . . . . . . . 357 1 
       79 . 1 1 13 13 ARG HA   H 1 4.25 . . 1 . . . . . . . . 357 1 
       80 . 1 1 13 13 ARG HB2  H 1 1.91 . . 1 . . . . . . . . 357 1 
       81 . 1 1 13 13 ARG HB3  H 1 1.91 . . 1 . . . . . . . . 357 1 
       82 . 1 1 13 13 ARG HG2  H 1 1.7  . . 1 . . . . . . . . 357 1 
       83 . 1 1 13 13 ARG HG3  H 1 1.7  . . 1 . . . . . . . . 357 1 
       84 . 1 1 13 13 ARG HD2  H 1 3.22 . . 1 . . . . . . . . 357 1 
       85 . 1 1 13 13 ARG HD3  H 1 3.22 . . 1 . . . . . . . . 357 1 
       86 . 1 1 13 13 ARG HE   H 1 7.56 . . 1 . . . . . . . . 357 1 
       87 . 1 1 14 14 LEU H    H 1 8.08 . . 1 . . . . . . . . 357 1 
       88 . 1 1 14 14 LEU HA   H 1 4.37 . . 1 . . . . . . . . 357 1 
       89 . 1 1 14 14 LEU HB2  H 1 1.73 . . 1 . . . . . . . . 357 1 
       90 . 1 1 14 14 LEU HB3  H 1 1.73 . . 1 . . . . . . . . 357 1 
       91 . 1 1 14 14 LEU HG   H 1 1.54 . . 1 . . . . . . . . 357 1 
       92 . 1 1 15 15 ALA H    H 1 8.01 . . 1 . . . . . . . . 357 1 
       93 . 1 1 15 15 ALA HA   H 1 4.49 . . 1 . . . . . . . . 357 1 
       94 . 1 1 15 15 ALA HB1  H 1 1.43 . . 1 . . . . . . . . 357 1 
       95 . 1 1 15 15 ALA HB2  H 1 1.43 . . 1 . . . . . . . . 357 1 
       96 . 1 1 15 15 ALA HB3  H 1 1.43 . . 1 . . . . . . . . 357 1 
       97 . 1 1 16 16 PRO HA   H 1 4.29 . . 1 . . . . . . . . 357 1 
       98 . 1 1 16 16 PRO HB2  H 1 2.32 . . 1 . . . . . . . . 357 1 
       99 . 1 1 16 16 PRO HB3  H 1 2.32 . . 1 . . . . . . . . 357 1 
      100 . 1 1 16 16 PRO HG2  H 1 1.98 . . 1 . . . . . . . . 357 1 
      101 . 1 1 16 16 PRO HG3  H 1 1.98 . . 1 . . . . . . . . 357 1 
      102 . 1 1 16 16 PRO HD2  H 1 3.75 . . 1 . . . . . . . . 357 1 
      103 . 1 1 16 16 PRO HD3  H 1 3.75 . . 1 . . . . . . . . 357 1 
      104 . 1 1 17 17 ALA H    H 1 8.15 . . 1 . . . . . . . . 357 1 
      105 . 1 1 17 17 ALA HA   H 1 4.24 . . 1 . . . . . . . . 357 1 
      106 . 1 1 17 17 ALA HB1  H 1 1.47 . . 1 . . . . . . . . 357 1 
      107 . 1 1 17 17 ALA HB2  H 1 1.47 . . 1 . . . . . . . . 357 1 
      108 . 1 1 17 17 ALA HB3  H 1 1.47 . . 1 . . . . . . . . 357 1 
      109 . 1 1 18 18 GLU H    H 1 8.03 . . 1 . . . . . . . . 357 1 
      110 . 1 1 18 18 GLU HA   H 1 4.23 . . 1 . . . . . . . . 357 1 
      111 . 1 1 18 18 GLU HB2  H 1 2.15 . . 1 . . . . . . . . 357 1 
      112 . 1 1 18 18 GLU HB3  H 1 2.15 . . 1 . . . . . . . . 357 1 
      113 . 1 1 18 18 GLU HG2  H 1 2.47 . . 2 . . . . . . . . 357 1 
      114 . 1 1 18 18 GLU HG3  H 1 2.55 . . 2 . . . . . . . . 357 1 
      115 . 1 1 19 19 VAL H    H 1 7.82 . . 1 . . . . . . . . 357 1 
      116 . 1 1 19 19 VAL HA   H 1 3.88 . . 1 . . . . . . . . 357 1 
      117 . 1 1 19 19 VAL HB   H 1 1.96 . . 1 . . . . . . . . 357 1 
      118 . 1 1 19 19 VAL HG11 H 1  .67 . . 2 . . . . . . . . 357 1 
      119 . 1 1 19 19 VAL HG12 H 1  .67 . . 2 . . . . . . . . 357 1 
      120 . 1 1 19 19 VAL HG13 H 1  .67 . . 2 . . . . . . . . 357 1 
      121 . 1 1 19 19 VAL HG21 H 1  .86 . . 2 . . . . . . . . 357 1 
      122 . 1 1 19 19 VAL HG22 H 1  .86 . . 2 . . . . . . . . 357 1 
      123 . 1 1 19 19 VAL HG23 H 1  .86 . . 2 . . . . . . . . 357 1 
      124 . 1 1 20 20 PHE H    H 1 8.18 . . 1 . . . . . . . . 357 1 
      125 . 1 1 20 20 PHE HA   H 1 4.48 . . 1 . . . . . . . . 357 1 
      126 . 1 1 20 20 PHE HB2  H 1 2.98 . . 2 . . . . . . . . 357 1 
      127 . 1 1 20 20 PHE HB3  H 1 3.11 . . 2 . . . . . . . . 357 1 
      128 . 1 1 21 21 HIS H    H 1 8.06 . . 1 . . . . . . . . 357 1 
      129 . 1 1 21 21 HIS HA   H 1 4.65 . . 1 . . . . . . . . 357 1 
      130 . 1 1 21 21 HIS HB2  H 1 3.26 . . 2 . . . . . . . . 357 1 
      131 . 1 1 21 21 HIS HB3  H 1 3.48 . . 2 . . . . . . . . 357 1 
      132 . 1 1 22 22 GLY H    H 1 8.01 . . 1 . . . . . . . . 357 1 
      133 . 1 1 22 22 GLY HA2  H 1 3.94 . . 1 . . . . . . . . 357 1 
      134 . 1 1 22 22 GLY HA3  H 1 3.94 . . 1 . . . . . . . . 357 1 
      135 . 1 1 23 23 VAL H    H 1 8.03 . . 1 . . . . . . . . 357 1 
      136 . 1 1 23 23 VAL HA   H 1 4.21 . . 1 . . . . . . . . 357 1 
      137 . 1 1 23 23 VAL HB   H 1 2.11 . . 1 . . . . . . . . 357 1 
      138 . 1 1 23 23 VAL HG11 H 1  .98 . . 1 . . . . . . . . 357 1 
      139 . 1 1 23 23 VAL HG12 H 1  .98 . . 1 . . . . . . . . 357 1 
      140 . 1 1 23 23 VAL HG13 H 1  .98 . . 1 . . . . . . . . 357 1 
      141 . 1 1 23 23 VAL HG21 H 1  .98 . . 1 . . . . . . . . 357 1 
      142 . 1 1 23 23 VAL HG22 H 1  .98 . . 1 . . . . . . . . 357 1 
      143 . 1 1 23 23 VAL HG23 H 1  .98 . . 1 . . . . . . . . 357 1 
      144 . 1 1 24 24 ARG H    H 1 8.54 . . 1 . . . . . . . . 357 1 
      145 . 1 1 24 24 ARG HA   H 1 4.4  . . 1 . . . . . . . . 357 1 
      146 . 1 1 24 24 ARG HB2  H 1 1.79 . . 2 . . . . . . . . 357 1 
      147 . 1 1 24 24 ARG HB3  H 1 1.9  . . 2 . . . . . . . . 357 1 
      148 . 1 1 24 24 ARG HG2  H 1 1.64 . . 1 . . . . . . . . 357 1 
      149 . 1 1 24 24 ARG HG3  H 1 1.64 . . 1 . . . . . . . . 357 1 
      150 . 1 1 24 24 ARG HD2  H 1 3.19 . . 1 . . . . . . . . 357 1 
      151 . 1 1 24 24 ARG HD3  H 1 3.19 . . 1 . . . . . . . . 357 1 
      152 . 1 1 24 24 ARG HE   H 1 7.46 . . 1 . . . . . . . . 357 1 

   stop_

save_