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                      1375
   _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 . 1375 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 GLU CA  C 13 56   . . 1 . . . . . . . . 1375 1 
       2 . 1 1  1  1 GLU CG  C 13 32.7 . . 1 . . . . . . . . 1375 1 
       3 . 1 1  2  2 TYR CA  C 13 56.2 . . 1 . . . . . . . . 1375 1 
       4 . 1 1  2  2 TYR CB  C 13 37.2 . . 1 . . . . . . . . 1375 1 
       5 . 1 1  3  3 ARG CA  C 13 56.2 . . 1 . . . . . . . . 1375 1 
       6 . 1 1  3  3 ARG CD  C 13 42.1 . . 1 . . . . . . . . 1375 1 
       7 . 1 1  4  4 PRO CA  C 13 61.2 . . 1 . . . . . . . . 1375 1 
       8 . 1 1  4  4 PRO CD  C 13 48.3 . . 1 . . . . . . . . 1375 1 
       9 . 1 1  5  5 LEU CA  C 13 53.8 . . 1 . . . . . . . . 1375 1 
      10 . 1 1  5  5 LEU CD1 C 13 24   . . 2 . . . . . . . . 1375 1 
      11 . 1 1  5  5 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 1375 1 
      12 . 1 1  6  6 CYS CA  C 13 53   . . 1 . . . . . . . . 1375 1 
      13 . 1 1  8  8 SER CA  C 13 59.4 . . 1 . . . . . . . . 1375 1 
      14 . 1 1  8  8 SER CB  C 13 60.6 . . 1 . . . . . . . . 1375 1 
      15 . 1 1  9  9 ASP CA  C 13 51.7 . . 1 . . . . . . . . 1375 1 
      16 . 1 1 10 10 ASN CA  C 13 53.3 . . 1 . . . . . . . . 1375 1 
      17 . 1 1 10 10 ASN CB  C 13 36.3 . . 1 . . . . . . . . 1375 1 
      18 . 1 1 11 11 LYS CA  C 13 54.2 . . 1 . . . . . . . . 1375 1 
      19 . 1 1 11 11 LYS CE  C 13 40.7 . . 1 . . . . . . . . 1375 1 
      20 . 1 1 12 12 THR CA  C 13 61.1 . . 1 . . . . . . . . 1375 1 
      21 . 1 1 12 12 THR CB  C 13 67.6 . . 1 . . . . . . . . 1375 1 
      22 . 1 1 12 12 THR CG2 C 13 22   . . 1 . . . . . . . . 1375 1 
      23 . 1 1 14 14 GLY CA  C 13 45.8 . . 1 . . . . . . . . 1375 1 
      24 . 1 1 15 15 ASN CA  C 13 50.4 . . 1 . . . . . . . . 1375 1 
      25 . 1 1 16 16 LYS CA  C 13 58.7 . . 1 . . . . . . . . 1375 1 
      26 . 1 1 16 16 LYS CE  C 13 40.9 . . 1 . . . . . . . . 1375 1 
      27 . 1 1 20 20 CYS CA  C 13 54   . . 1 . . . . . . . . 1375 1 
      28 . 1 1 21 21 ASN CA  C 13 54.3 . . 1 . . . . . . . . 1375 1 
      29 . 1 1 22 22 ALA CA  C 13 53.6 . . 1 . . . . . . . . 1375 1 
      30 . 1 1 22 22 ALA CB  C 13 16.9 . . 1 . . . . . . . . 1375 1 
      31 . 1 1 23 23 VAL CA  C 13 65.3 . . 1 . . . . . . . . 1375 1 
      32 . 1 1 23 23 VAL CG1 C 13 19.4 . . 2 . . . . . . . . 1375 1 
      33 . 1 1 23 23 VAL CG2 C 13 21   . . 2 . . . . . . . . 1375 1 
      34 . 1 1 24 24 VAL CA  C 13 64.5 . . 1 . . . . . . . . 1375 1 
      35 . 1 1 24 24 VAL CG1 C 13 19.8 . . 1 . . . . . . . . 1375 1 
      36 . 1 1 24 24 VAL CG2 C 13 19.8 . . 1 . . . . . . . . 1375 1 
      37 . 1 1 25 25 GLU CA  C 13 56.1 . . 1 . . . . . . . . 1375 1 
      38 . 1 1 25 25 GLU CG  C 13 31.8 . . 1 . . . . . . . . 1375 1 
      39 . 1 1 26 26 SER CA  C 13 57.6 . . 1 . . . . . . . . 1375 1 
      40 . 1 1 26 26 SER CB  C 13 63   . . 1 . . . . . . . . 1375 1 
      41 . 1 1 27 27 ASN CA  C 13 52.8 . . 1 . . . . . . . . 1375 1 
      42 . 1 1 27 27 ASN CB  C 13 35.7 . . 1 . . . . . . . . 1375 1 
      43 . 1 1 28 28 GLY CA  C 13 44.2 . . 1 . . . . . . . . 1375 1 
      44 . 1 1 29 29 THR CA  C 13 61.7 . . 1 . . . . . . . . 1375 1 
      45 . 1 1 29 29 THR CB  C 13 68.4 . . 1 . . . . . . . . 1375 1 
      46 . 1 1 29 29 THR CG2 C 13 19.9 . . 1 . . . . . . . . 1375 1 
      47 . 1 1 30 30 LEU CA  C 13 53.6 . . 1 . . . . . . . . 1375 1 
      48 . 1 1 30 30 LEU CD1 C 13 21.7 . . 2 . . . . . . . . 1375 1 
      49 . 1 1 30 30 LEU CD2 C 13 24.7 . . 2 . . . . . . . . 1375 1 
      50 . 1 1 31 31 THR CA  C 13 57.7 . . 1 . . . . . . . . 1375 1 
      51 . 1 1 31 31 THR CB  C 13 70.2 . . 1 . . . . . . . . 1375 1 
      52 . 1 1 31 31 THR CG2 C 13 19.9 . . 1 . . . . . . . . 1375 1 
      53 . 1 1 32 32 LEU CA  C 13 58.6 . . 1 . . . . . . . . 1375 1 
      54 . 1 1 32 32 LEU CD1 C 13 22.9 . . 2 . . . . . . . . 1375 1 
      55 . 1 1 32 32 LEU CD2 C 13 24.6 . . 2 . . . . . . . . 1375 1 
      56 . 1 1 33 33 SER CA  C 13 58.7 . . 1 . . . . . . . . 1375 1 
      57 . 1 1 33 33 SER CB  C 13 61.9 . . 1 . . . . . . . . 1375 1 
      58 . 1 1 34 34 HIS CA  C 13 53.2 . . 1 . . . . . . . . 1375 1 
      59 . 1 1 35 35 PHE CA  C 13 58.9 . . 1 . . . . . . . . 1375 1 
      60 . 1 1 35 35 PHE CB  C 13 38.2 . . 1 . . . . . . . . 1375 1 
      61 . 1 1 36 36 GLY CA  C 13 42.8 . . 1 . . . . . . . . 1375 1 
      62 . 1 1 37 37 LYS CA  C 13 54.7 . . 1 . . . . . . . . 1375 1 
      63 . 1 1 37 37 LYS CE  C 13 40.3 . . 1 . . . . . . . . 1375 1 
      64 . 1 1 38 38 CYS CA  C 13 53.3 . . 1 . . . . . . . . 1375 1 

   stop_

save_