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                      1202
   _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 . 1202 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 LEU HB2  H 1  1.12 . . 1 . . . . . . . . 1202 1 
       2 . 1 1   2   2 LEU HB3  H 1  1.12 . . 1 . . . . . . . . 1202 1 
       3 . 1 1   2   2 LEU HG   H 1  1.17 . . 1 . . . . . . . . 1202 1 
       4 . 1 1   2   2 LEU HD11 H 1   .13 . . 1 . . . . . . . . 1202 1 
       5 . 1 1   2   2 LEU HD12 H 1   .13 . . 1 . . . . . . . . 1202 1 
       6 . 1 1   2   2 LEU HD13 H 1   .13 . . 1 . . . . . . . . 1202 1 
       7 . 1 1   2   2 LEU HD21 H 1  -.05 . . 1 . . . . . . . . 1202 1 
       8 . 1 1   2   2 LEU HD22 H 1  -.05 . . 1 . . . . . . . . 1202 1 
       9 . 1 1   2   2 LEU HD23 H 1  -.05 . . 1 . . . . . . . . 1202 1 
      10 . 1 1   7   7 TRP HD1  H 1  7.05 . . 1 . . . . . . . . 1202 1 
      11 . 1 1   7   7 TRP HE1  H 1 10.04 . . 1 . . . . . . . . 1202 1 
      12 . 1 1   7   7 TRP HZ2  H 1  7.4  . . 1 . . . . . . . . 1202 1 
      13 . 1 1   7   7 TRP HZ3  H 1  6.95 . . 1 . . . . . . . . 1202 1 
      14 . 1 1   7   7 TRP HH2  H 1  7.01 . . 1 . . . . . . . . 1202 1 
      15 . 1 1  14  14 TRP HE1  H 1 10.28 . . 1 . . . . . . . . 1202 1 
      16 . 1 1  14  14 TRP HE3  H 1  7.09 . . 1 . . . . . . . . 1202 1 
      17 . 1 1  14  14 TRP HZ2  H 1  7.58 . . 1 . . . . . . . . 1202 1 
      18 . 1 1  14  14 TRP HZ3  H 1  6.69 . . 1 . . . . . . . . 1202 1 
      19 . 1 1  17  17 VAL HA   H 1  1.73 . . 1 . . . . . . . . 1202 1 
      20 . 1 1  17  17 VAL HB   H 1   .93 . . 1 . . . . . . . . 1202 1 
      21 . 1 1  17  17 VAL HG11 H 1  -.38 . . 1 . . . . . . . . 1202 1 
      22 . 1 1  17  17 VAL HG12 H 1  -.38 . . 1 . . . . . . . . 1202 1 
      23 . 1 1  17  17 VAL HG13 H 1  -.38 . . 1 . . . . . . . . 1202 1 
      24 . 1 1  17  17 VAL HG21 H 1   .1  . . 1 . . . . . . . . 1202 1 
      25 . 1 1  17  17 VAL HG22 H 1   .1  . . 1 . . . . . . . . 1202 1 
      26 . 1 1  17  17 VAL HG23 H 1   .1  . . 1 . . . . . . . . 1202 1 
      27 . 1 1  24  24 HIS HD2  H 1  6.36 . . 1 . . . . . . . . 1202 1 
      28 . 1 1  24  24 HIS HE1  H 1  8    . . 1 . . . . . . . . 1202 1 
      29 . 1 1  33  33 PHE HD1  H 1  7.05 . . 1 . . . . . . . . 1202 1 
      30 . 1 1  33  33 PHE HD2  H 1  7.05 . . 1 . . . . . . . . 1202 1 
      31 . 1 1  33  33 PHE HE1  H 1  6.72 . . 1 . . . . . . . . 1202 1 
      32 . 1 1  33  33 PHE HE2  H 1  6.72 . . 1 . . . . . . . . 1202 1 
      33 . 1 1  33  33 PHE HZ   H 1  6.19 . . 1 . . . . . . . . 1202 1 
      34 . 1 1  36  36 HIS HD2  H 1  7.11 . . 1 . . . . . . . . 1202 1 
      35 . 1 1  36  36 HIS HE1  H 1  8.01 . . 1 . . . . . . . . 1202 1 
      36 . 1 1  40  40 LEU HB2  H 1  1.38 . . 2 . . . . . . . . 1202 1 
      37 . 1 1  40  40 LEU HB3  H 1  1.63 . . 2 . . . . . . . . 1202 1 
      38 . 1 1  40  40 LEU HG   H 1  1.24 . . 1 . . . . . . . . 1202 1 
      39 . 1 1  40  40 LEU HD11 H 1   .37 . . 1 . . . . . . . . 1202 1 
      40 . 1 1  40  40 LEU HD12 H 1   .37 . . 1 . . . . . . . . 1202 1 
      41 . 1 1  40  40 LEU HD13 H 1   .37 . . 1 . . . . . . . . 1202 1 
      42 . 1 1  40  40 LEU HD21 H 1   .35 . . 1 . . . . . . . . 1202 1 
      43 . 1 1  40  40 LEU HD22 H 1   .35 . . 1 . . . . . . . . 1202 1 
      44 . 1 1  40  40 LEU HD23 H 1   .35 . . 1 . . . . . . . . 1202 1 
      45 . 1 1  43  43 PHE HD1  H 1  7.3  . . 1 . . . . . . . . 1202 1 
      46 . 1 1  43  43 PHE HD2  H 1  7.3  . . 1 . . . . . . . . 1202 1 
      47 . 1 1  43  43 PHE HE1  H 1  7.1  . . 1 . . . . . . . . 1202 1 
      48 . 1 1  43  43 PHE HE2  H 1  7.1  . . 1 . . . . . . . . 1202 1 
      49 . 1 1  43  43 PHE HZ   H 1  6.49 . . 1 . . . . . . . . 1202 1 
      50 . 1 1  46  46 PHE HA   H 1  5.01 . . 1 . . . . . . . . 1202 1 
      51 . 1 1  46  46 PHE HD1  H 1  6.87 . . 1 . . . . . . . . 1202 1 
      52 . 1 1  46  46 PHE HD2  H 1  6.87 . . 1 . . . . . . . . 1202 1 
      53 . 1 1  46  46 PHE HE1  H 1  6.77 . . 1 . . . . . . . . 1202 1 
      54 . 1 1  46  46 PHE HE2  H 1  6.77 . . 1 . . . . . . . . 1202 1 
      55 . 1 1  46  46 PHE HZ   H 1  6.81 . . 1 . . . . . . . . 1202 1 
      56 . 1 1  48  48 HIS HD2  H 1  7.13 . . 1 . . . . . . . . 1202 1 
      57 . 1 1  48  48 HIS HE1  H 1  8.18 . . 1 . . . . . . . . 1202 1 
      58 . 1 1  49  49 LEU HG   H 1  1.14 . . 1 . . . . . . . . 1202 1 
      59 . 1 1  49  49 LEU HD11 H 1   .98 . . 1 . . . . . . . . 1202 1 
      60 . 1 1  49  49 LEU HD12 H 1   .98 . . 1 . . . . . . . . 1202 1 
      61 . 1 1  49  49 LEU HD13 H 1   .98 . . 1 . . . . . . . . 1202 1 
      62 . 1 1  49  49 LEU HD21 H 1   .7  . . 1 . . . . . . . . 1202 1 
      63 . 1 1  49  49 LEU HD22 H 1   .7  . . 1 . . . . . . . . 1202 1 
      64 . 1 1  49  49 LEU HD23 H 1   .7  . . 1 . . . . . . . . 1202 1 
      65 . 1 1  55  55 MET HE1  H 1  1.79 . . 1 . . . . . . . . 1202 1 
      66 . 1 1  55  55 MET HE2  H 1  1.79 . . 1 . . . . . . . . 1202 1 
      67 . 1 1  55  55 MET HE3  H 1  1.79 . . 1 . . . . . . . . 1202 1 
      68 . 1 1 106 106 PHE HD1  H 1  6.75 . . 1 . . . . . . . . 1202 1 
      69 . 1 1 106 106 PHE HD2  H 1  6.75 . . 1 . . . . . . . . 1202 1 
      70 . 1 1 106 106 PHE HE1  H 1  7.18 . . 1 . . . . . . . . 1202 1 
      71 . 1 1 106 106 PHE HE2  H 1  7.18 . . 1 . . . . . . . . 1202 1 
      72 . 1 1 106 106 PHE HZ   H 1  7.18 . . 1 . . . . . . . . 1202 1 
      73 . 1 1 115 115 LEU HG   H 1  1.69 . . 1 . . . . . . . . 1202 1 
      74 . 1 1 115 115 LEU HD11 H 1   .49 . . 1 . . . . . . . . 1202 1 
      75 . 1 1 115 115 LEU HD12 H 1   .49 . . 1 . . . . . . . . 1202 1 
      76 . 1 1 115 115 LEU HD13 H 1   .49 . . 1 . . . . . . . . 1202 1 
      77 . 1 1 115 115 LEU HD21 H 1   .61 . . 1 . . . . . . . . 1202 1 
      78 . 1 1 115 115 LEU HD22 H 1   .61 . . 1 . . . . . . . . 1202 1 
      79 . 1 1 115 115 LEU HD23 H 1   .61 . . 1 . . . . . . . . 1202 1 
      80 . 1 1 119 119 HIS HD2  H 1  6.9  . . 1 . . . . . . . . 1202 1 
      81 . 1 1 119 119 HIS HE1  H 1  8.52 . . 1 . . . . . . . . 1202 1 
      82 . 1 1 123 123 PHE HD1  H 1  7.14 . . 1 . . . . . . . . 1202 1 
      83 . 1 1 123 123 PHE HD2  H 1  7.14 . . 1 . . . . . . . . 1202 1 
      84 . 1 1 123 123 PHE HE1  H 1  7.25 . . 1 . . . . . . . . 1202 1 
      85 . 1 1 123 123 PHE HE2  H 1  7.25 . . 1 . . . . . . . . 1202 1 
      86 . 1 1 123 123 PHE HZ   H 1  7.03 . . 1 . . . . . . . . 1202 1 
      87 . 1 1 131 131 MET HE1  H 1  2.16 . . 1 . . . . . . . . 1202 1 
      88 . 1 1 131 131 MET HE2  H 1  2.16 . . 1 . . . . . . . . 1202 1 
      89 . 1 1 131 131 MET HE3  H 1  2.16 . . 1 . . . . . . . . 1202 1 

   stop_

save_