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                      442
   _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 . 442 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   6   6 TYR HA  H 1 4.56 . . 1 . . . . . . . . 442 1 
       2 . 1 1   6   6 TYR HB2 H 1 3.07 . . 2 . . . . . . . . 442 1 
       3 . 1 1   6   6 TYR HB3 H 1 2.94 . . 2 . . . . . . . . 442 1 
       4 . 1 1   6   6 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 442 1 
       5 . 1 1   6   6 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 442 1 
       6 . 1 1   6   6 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 442 1 
       7 . 1 1   6   6 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 442 1 
       8 . 1 1  15  15 HIS HA  H 1 4.62 . . 1 . . . . . . . . 442 1 
       9 . 1 1  15  15 HIS HB2 H 1 3.22 . . 2 . . . . . . . . 442 1 
      10 . 1 1  15  15 HIS HB3 H 1 3.38 . . 2 . . . . . . . . 442 1 
      11 . 1 1  15  15 HIS HD2 H 1 7.09 . . 1 . . . . . . . . 442 1 
      12 . 1 1  15  15 HIS HE1 H 1 7.88 . . 1 . . . . . . . . 442 1 
      13 . 1 1  18  18 TRP HA  H 1 4.77 . . 1 . . . . . . . . 442 1 
      14 . 1 1  18  18 TRP HB2 H 1 3.46 . . 2 . . . . . . . . 442 1 
      15 . 1 1  18  18 TRP HB3 H 1 3.61 . . 2 . . . . . . . . 442 1 
      16 . 1 1  18  18 TRP HD1 H 1 7.08 . . 1 . . . . . . . . 442 1 
      17 . 1 1  18  18 TRP HE3 H 1 7.78 . . 1 . . . . . . . . 442 1 
      18 . 1 1  18  18 TRP HZ2 H 1 7.33 . . 1 . . . . . . . . 442 1 
      19 . 1 1  18  18 TRP HZ3 H 1 6.94 . . 1 . . . . . . . . 442 1 
      20 . 1 1  18  18 TRP HH2 H 1 7.06 . . 1 . . . . . . . . 442 1 
      21 . 1 1  21  21 PHE HA  H 1 4.04 . . 1 . . . . . . . . 442 1 
      22 . 1 1  21  21 PHE HB2 H 1 3.15 . . 2 . . . . . . . . 442 1 
      23 . 1 1  21  21 PHE HB3 H 1 3.5  . . 2 . . . . . . . . 442 1 
      24 . 1 1  21  21 PHE HD1 H 1 7    . . 1 . . . . . . . . 442 1 
      25 . 1 1  21  21 PHE HD2 H 1 7    . . 1 . . . . . . . . 442 1 
      26 . 1 1  21  21 PHE HE1 H 1 7.14 . . 1 . . . . . . . . 442 1 
      27 . 1 1  21  21 PHE HE2 H 1 7.14 . . 1 . . . . . . . . 442 1 
      28 . 1 1  21  21 PHE HZ  H 1 7.14 . . 1 . . . . . . . . 442 1 
      29 . 1 1  22  22 VAL HA  H 1 2.9  . . 1 . . . . . . . . 442 1 
      30 . 1 1  29  29 TYR HA  H 1 4.72 . . 1 . . . . . . . . 442 1 
      31 . 1 1  29  29 TYR HB2 H 1 2.67 . . 2 . . . . . . . . 442 1 
      32 . 1 1  29  29 TYR HB3 H 1 2.7  . . 2 . . . . . . . . 442 1 
      33 . 1 1  29  29 TYR HD1 H 1 6.39 . . 1 . . . . . . . . 442 1 
      34 . 1 1  29  29 TYR HD2 H 1 6.39 . . 1 . . . . . . . . 442 1 
      35 . 1 1  29  29 TYR HE1 H 1 6.28 . . 1 . . . . . . . . 442 1 
      36 . 1 1  29  29 TYR HE2 H 1 6.28 . . 1 . . . . . . . . 442 1 
      37 . 1 1  34  34 HIS HD2 H 1 6.35 . . 1 . . . . . . . . 442 1 
      38 . 1 1  34  34 HIS HE1 H 1 8.01 . . 1 . . . . . . . . 442 1 
      39 . 1 1  98  98 TRP HA  H 1 4.32 . . 1 . . . . . . . . 442 1 
      40 . 1 1  98  98 TRP HB2 H 1 3.35 . . 2 . . . . . . . . 442 1 
      41 . 1 1  98  98 TRP HB3 H 1 3.45 . . 2 . . . . . . . . 442 1 
      42 . 1 1  98  98 TRP HD1 H 1 7.23 . . 1 . . . . . . . . 442 1 
      43 . 1 1  98  98 TRP HE3 H 1 7.41 . . 1 . . . . . . . . 442 1 
      44 . 1 1  98  98 TRP HZ2 H 1 7.04 . . 1 . . . . . . . . 442 1 
      45 . 1 1  98  98 TRP HZ3 H 1 6.67 . . 1 . . . . . . . . 442 1 
      46 . 1 1  98  98 TRP HH2 H 1 7.13 . . 1 . . . . . . . . 442 1 
      47 . 1 1 102 102 VAL HA  H 1 3.73 . . 1 . . . . . . . . 442 1 

   stop_

save_