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                      335
   _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 . 335 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 PHE CA  C 13  55.48 . . 1 . . . . . . . . 335 1 
       2 . 1 1  1  1 PHE CB  C 13  38.19 . . 1 . . . . . . . . 335 1 
       3 . 1 1  1  1 PHE CD1 C 13 130.32 . . 1 . . . . . . . . 335 1 
       4 . 1 1  1  1 PHE CD2 C 13 130.32 . . 1 . . . . . . . . 335 1 
       5 . 1 1  1  1 PHE CE1 C 13 130.59 . . 1 . . . . . . . . 335 1 
       6 . 1 1  1  1 PHE CE2 C 13 130.59 . . 1 . . . . . . . . 335 1 
       7 . 1 1  1  1 PHE CZ  C 13 129.18 . . 1 . . . . . . . . 335 1 
       8 . 1 1  2  2 LYS CA  C 13  54.55 . . 1 . . . . . . . . 335 1 
       9 . 1 1  2  2 LYS CB  C 13  30.73 . . 1 . . . . . . . . 335 1 
      10 . 1 1  2  2 LYS CG  C 13  23.23 . . 1 . . . . . . . . 335 1 
      11 . 1 1  2  2 LYS CD  C 13  27.7  . . 1 . . . . . . . . 335 1 
      12 . 1 1  2  2 LYS CE  C 13  40.57 . . 1 . . . . . . . . 335 1 
      13 . 1 1  3  3 LEU CA  C 13  53.91 . . 1 . . . . . . . . 335 1 
      14 . 1 1  3  3 LEU CB  C 13  41.14 . . 1 . . . . . . . . 335 1 
      15 . 1 1  3  3 LEU CG  C 13  27.7  . . 1 . . . . . . . . 335 1 
      16 . 1 1  3  3 LEU CD1 C 13  22.43 . . 1 . . . . . . . . 335 1 
      17 . 1 1  3  3 LEU CD2 C 13  23.5  . . 1 . . . . . . . . 335 1 
      18 . 1 1  6  6 ARG CA  C 13  54.95 . . 1 . . . . . . . . 335 1 
      19 . 1 1  6  6 ARG CB  C 13  29.3  . . 1 . . . . . . . . 335 1 
      20 . 1 1  6  6 ARG CG  C 13  25.72 . . 1 . . . . . . . . 335 1 
      21 . 1 1  6  6 ARG CD  C 13  41.89 . . 1 . . . . . . . . 335 1 
      22 . 1 1  7  7 ASP CA  C 13  51.55 . . 1 . . . . . . . . 335 1 
      23 . 1 1  7  7 ASP CB  C 13  36.79 . . 1 . . . . . . . . 335 1 
      24 . 1 1  8  8 SER CA  C 13  57.01 . . 1 . . . . . . . . 335 1 
      25 . 1 1  8  8 SER CB  C 13  62.36 . . 1 . . . . . . . . 335 1 
      26 . 1 1  9  9 ARG CA  C 13  54.06 . . 1 . . . . . . . . 335 1 
      27 . 1 1  9  9 ARG CB  C 13  29.3  . . 1 . . . . . . . . 335 1 
      28 . 1 1  9  9 ARG CG  C 13  25.72 . . 1 . . . . . . . . 335 1 
      29 . 1 1  9  9 ARG CD  C 13  41.89 . . 1 . . . . . . . . 335 1 
      30 . 1 1 10 10 SER CA  C 13  57.01 . . 1 . . . . . . . . 335 1 
      31 . 1 1 10 10 SER CB  C 13  62    . . 1 . . . . . . . . 335 1 
      32 . 1 1 12 12 SER CA  C 13  54.95 . . 1 . . . . . . . . 335 1 
      33 . 1 1 12 12 SER CB  C 13  62.36 . . 1 . . . . . . . . 335 1 
      34 . 1 1 13 13 PRO CA  C 13  62.17 . . 1 . . . . . . . . 335 1 
      35 . 1 1 13 13 PRO CB  C 13  32.22 . . 1 . . . . . . . . 335 1 
      36 . 1 1 13 13 PRO CG  C 13  26.45 . . 1 . . . . . . . . 335 1 
      37 . 1 1 13 13 PRO CD  C 13  49.43 . . 1 . . . . . . . . 335 1 
      38 . 1 1 14 14 MET CA  C 13  54.76 . . 1 . . . . . . . . 335 1 
      39 . 1 1 14 14 MET CB  C 13  31.53 . . 1 . . . . . . . . 335 1 
      40 . 1 1 14 14 MET CG  C 13  30.73 . . 1 . . . . . . . . 335 1 
      41 . 1 1 14 14 MET CE  C 13  15.62 . . 1 . . . . . . . . 335 1 
      42 . 1 1 15 15 ALA CA  C 13  50.98 . . 1 . . . . . . . . 335 1 
      43 . 1 1 15 15 ALA CB  C 13  17.88 . . 1 . . . . . . . . 335 1 
      44 . 1 1 16 16 ARG CA  C 13  54.55 . . 1 . . . . . . . . 335 1 
      45 . 1 1 16 16 ARG CB  C 13  29.3  . . 1 . . . . . . . . 335 1 
      46 . 1 1 16 16 ARG CG  C 13  25.72 . . 1 . . . . . . . . 335 1 
      47 . 1 1 16 16 ARG CD  C 13  41.89 . . 1 . . . . . . . . 335 1 
      48 . 1 1 17 17 ARG CA  C 13  53.82 . . 1 . . . . . . . . 335 1 
      49 . 1 1 17 17 ARG CB  C 13  29.47 . . 1 . . . . . . . . 335 1 
      50 . 1 1 17 17 ARG CG  C 13  25.72 . . 1 . . . . . . . . 335 1 
      51 . 1 1 17 17 ARG CD  C 13  41.89 . . 1 . . . . . . . . 335 1 

   stop_

save_