Content for NMR-STAR saveframe, "chemical_shift_set_1"

    save_chemical_shift_set_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_set_1
   _Assigned_chem_shift_list.Entry_ID                      5111
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _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   '2D NOESY'   1   $sample_1   .   5111   1
      2   DQF-COSY     1   $sample_1   .   5111   1
      3   TOCSY        1   $sample_1   .   5111   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    ILE   H      H   1   7.84   .   .   .   .   .   .   .   .   .   .   .   5111   1
      2    .   1   1   2    2    ILE   HA     H   1   4.12   .   .   .   .   .   .   .   .   .   .   .   5111   1
      3    .   1   1   2    2    ILE   HB     H   1   1.64   .   .   .   .   .   .   .   .   .   .   .   5111   1
      4    .   1   1   2    2    ILE   HG12   H   1   1.32   .   .   .   .   .   .   .   .   .   .   .   5111   1
      5    .   1   1   2    2    ILE   HG13   H   1   1.32   .   .   .   .   .   .   .   .   .   .   .   5111   1
      6    .   1   1   2    2    ILE   HG21   H   1   1.00   .   .   .   .   .   .   .   .   .   .   .   5111   1
      7    .   1   1   2    2    ILE   HG22   H   1   1.00   .   .   .   .   .   .   .   .   .   .   .   5111   1
      8    .   1   1   2    2    ILE   HG23   H   1   1.00   .   .   .   .   .   .   .   .   .   .   .   5111   1
      9    .   1   1   2    2    ILE   HD11   H   1   0.73   .   .   .   .   .   .   .   .   .   .   .   5111   1
      10   .   1   1   2    2    ILE   HD12   H   1   0.73   .   .   .   .   .   .   .   .   .   .   .   5111   1
      11   .   1   1   2    2    ILE   HD13   H   1   0.73   .   .   .   .   .   .   .   .   .   .   .   5111   1
      12   .   1   1   3    3    TRP   H      H   1   8.01   .   .   .   .   .   .   .   .   .   .   .   5111   1
      13   .   1   1   3    3    TRP   HA     H   1   4.52   .   .   .   .   .   .   .   .   .   .   .   5111   1
      14   .   1   1   3    3    TRP   HB2    H   1   2.97   .   .   .   .   .   .   .   .   .   .   .   5111   1
      15   .   1   1   3    3    TRP   HB3    H   1   3.12   .   .   .   .   .   .   .   .   .   .   .   5111   1
      16   .   1   1   3    3    TRP   HD1    H   1   7.14   .   .   .   .   .   .   .   .   .   .   .   5111   1
      17   .   1   1   3    3    TRP   HE3    H   1   7.55   .   .   .   .   .   .   .   .   .   .   .   5111   1
      18   .   1   1   3    3    TRP   HZ2    H   1   6.95   .   .   .   .   .   .   .   .   .   .   .   5111   1
      19   .   1   1   3    3    TRP   HZ3    H   1   7.04   .   .   .   .   .   .   .   .   .   .   .   5111   1
      20   .   1   1   3    3    TRP   HH2    H   1   7.30   .   .   .   .   .   .   .   .   .   .   .   5111   1
      21   .   1   1   4    4    GLY   H      H   1   8.17   .   .   .   .   .   .   .   .   .   .   .   5111   1
      22   .   1   1   4    4    GLY   HA2    H   1   3.70   .   .   .   .   .   .   .   .   .   .   .   5111   1
      23   .   1   1   4    4    GLY   HA3    H   1   3.78   .   .   .   .   .   .   .   .   .   .   .   5111   1
      24   .   1   1   5    5    CYS   H      H   1   8.11   .   .   .   .   .   .   .   .   .   .   .   5111   1
      25   .   1   1   5    5    CYS   HA     H   1   4.55   .   .   .   .   .   .   .   .   .   .   .   5111   1
      26   .   1   1   5    5    CYS   HB2    H   1   2.82   .   .   .   .   .   .   .   .   .   .   .   5111   1
      27   .   1   1   5    5    CYS   HB3    H   1   3.18   .   .   .   .   .   .   .   .   .   .   .   5111   1
      28   .   1   1   6    6    BSE   H      H   1   7.99   .   .   .   .   .   .   .   .   .   .   .   5111   1
      29   .   1   1   6    6    BSE   HA     H   1   4.05   .   .   .   .   .   .   .   .   .   .   .   5111   1
      30   .   1   1   6    6    BSE   HB2    H   1   3.34   .   .   .   .   .   .   .   .   .   .   .   5111   1
      31   .   1   1   6    6    BSE   HB3    H   1   3.42   .   .   .   .   .   .   .   .   .   .   .   5111   1
      32   .   1   1   6    6    BSE   HG2    H   1   2.46   .   .   .   .   .   .   .   .   .   .   .   5111   1
      33   .   1   1   6    6    BSE   HG3    H   1   2.39   .   .   .   .   .   .   .   .   .   .   .   5111   1
      34   .   1   1   6    6    BSE   HD     H   1   4.83   .   .   .   .   .   .   .   .   .   .   .   5111   1
      35   .   1   1   7    7    GLY   H      H   1   8.18   .   .   .   .   .   .   .   .   .   .   .   5111   1
      36   .   1   1   7    7    GLY   HA2    H   1   3.70   .   .   .   .   .   .   .   .   .   .   .   5111   1
      37   .   1   1   7    7    GLY   HA3    H   1   3.70   .   .   .   .   .   .   .   .   .   .   .   5111   1
      38   .   1   1   8    8    LYS   H      H   1   7.99   .   .   .   .   .   .   .   .   .   .   .   5111   1
      39   .   1   1   8    8    LYS   HA     H   1   4.07   .   .   .   .   .   .   .   .   .   .   .   5111   1
      40   .   1   1   8    8    LYS   HB2    H   1   1.77   .   .   .   .   .   .   .   .   .   .   .   5111   1
      41   .   1   1   8    8    LYS   HB3    H   1   1.77   .   .   .   .   .   .   .   .   .   .   .   5111   1
      42   .   1   1   8    8    LYS   HG2    H   1   1.53   .   .   .   .   .   .   .   .   .   .   .   5111   1
      43   .   1   1   8    8    LYS   HG3    H   1   1.53   .   .   .   .   .   .   .   .   .   .   .   5111   1
      44   .   1   1   8    8    LYS   HD2    H   1   1.32   .   .   .   .   .   .   .   .   .   .   .   5111   1
      45   .   1   1   8    8    LYS   HD3    H   1   1.32   .   .   .   .   .   .   .   .   .   .   .   5111   1
      46   .   1   1   8    8    LYS   HE2    H   1   2.78   .   .   .   .   .   .   .   .   .   .   .   5111   1
      47   .   1   1   8    8    LYS   HE3    H   1   2.78   .   .   .   .   .   .   .   .   .   .   .   5111   1
      48   .   1   1   8    8    LYS   HZ1    H   1   7.63   .   .   .   .   .   .   .   .   .   .   .   5111   1
      49   .   1   1   8    8    LYS   HZ2    H   1   7.63   .   .   .   .   .   .   .   .   .   .   .   5111   1
      50   .   1   1   8    8    LYS   HZ3    H   1   7.63   .   .   .   .   .   .   .   .   .   .   .   5111   1
      51   .   1   1   9    9    LEU   H      H   1   7.88   .   .   .   .   .   .   .   .   .   .   .   5111   1
      52   .   1   1   9    9    LEU   HA     H   1   4.22   .   .   .   .   .   .   .   .   .   .   .   5111   1
      53   .   1   1   9    9    LEU   HB2    H   1   1.48   .   .   .   .   .   .   .   .   .   .   .   5111   1
      54   .   1   1   9    9    LEU   HB3    H   1   1.58   .   .   .   .   .   .   .   .   .   .   .   5111   1
      55   .   1   1   9    9    LEU   HD11   H   1   0.82   .   .   .   .   .   .   .   .   .   .   .   5111   1
      56   .   1   1   9    9    LEU   HD12   H   1   0.82   .   .   .   .   .   .   .   .   .   .   .   5111   1
      57   .   1   1   9    9    LEU   HD13   H   1   0.82   .   .   .   .   .   .   .   .   .   .   .   5111   1
      58   .   1   1   9    9    LEU   HD21   H   1   0.89   .   .   .   .   .   .   .   .   .   .   .   5111   1
      59   .   1   1   9    9    LEU   HD22   H   1   0.89   .   .   .   .   .   .   .   .   .   .   .   5111   1
      60   .   1   1   9    9    LEU   HD23   H   1   0.89   .   .   .   .   .   .   .   .   .   .   .   5111   1
      61   .   1   1   10   10   ILE   H      H   1   7.47   .   .   .   .   .   .   .   .   .   .   .   5111   1
      62   .   1   1   10   10   ILE   HA     H   1   4.17   .   .   .   .   .   .   .   .   .   .   .   5111   1
      63   .   1   1   10   10   ILE   HB     H   1   1.74   .   .   .   .   .   .   .   .   .   .   .   5111   1
      64   .   1   1   10   10   ILE   HG12   H   1   1.43   .   .   .   .   .   .   .   .   .   .   .   5111   1
      65   .   1   1   10   10   ILE   HG13   H   1   1.43   .   .   .   .   .   .   .   .   .   .   .   5111   1
      66   .   1   1   10   10   ILE   HG21   H   1   1.04   .   .   .   .   .   .   .   .   .   .   .   5111   1
      67   .   1   1   10   10   ILE   HG22   H   1   1.04   .   .   .   .   .   .   .   .   .   .   .   5111   1
      68   .   1   1   10   10   ILE   HG23   H   1   1.04   .   .   .   .   .   .   .   .   .   .   .   5111   1
      69   .   1   1   10   10   ILE   HD11   H   1   0.79   .   .   .   .   .   .   .   .   .   .   .   5111   1
      70   .   1   1   10   10   ILE   HD12   H   1   0.79   .   .   .   .   .   .   .   .   .   .   .   5111   1
      71   .   1   1   10   10   ILE   HD13   H   1   0.79   .   .   .   .   .   .   .   .   .   .   .   5111   1
      72   .   1   1   11   11   CYS   H      H   1   8.43   .   .   .   .   .   .   .   .   .   .   .   5111   1
      73   .   1   1   11   11   CYS   HA     H   1   4.68   .   .   .   .   .   .   .   .   .   .   .   5111   1
      74   .   1   1   11   11   CYS   HB2    H   1   2.92   .   .   .   .   .   .   .   .   .   .   .   5111   1
      75   .   1   1   11   11   CYS   HB3    H   1   3.13   .   .   .   .   .   .   .   .   .   .   .   5111   1
      76   .   1   1   12   12   THR   H      H   1   7.74   .   .   .   .   .   .   .   .   .   .   .   5111   1
      77   .   1   1   12   12   THR   HA     H   1   4.44   .   .   .   .   .   .   .   .   .   .   .   5111   1
      78   .   1   1   12   12   THR   HB     H   1   4.00   .   .   .   .   .   .   .   .   .   .   .   5111   1
      79   .   1   1   12   12   THR   HG1    H   1   5.26   .   .   .   .   .   .   .   .   .   .   .   5111   1
      80   .   1   1   12   12   THR   HG21   H   1   1.03   .   .   .   .   .   .   .   .   .   .   .   5111   1
      81   .   1   1   12   12   THR   HG22   H   1   1.03   .   .   .   .   .   .   .   .   .   .   .   5111   1
      82   .   1   1   12   12   THR   HG23   H   1   1.03   .   .   .   .   .   .   .   .   .   .   .   5111   1
      83   .   1   1   13   13   THR   H      H   1   7.76   .   .   .   .   .   .   .   .   .   .   .   5111   1
      84   .   1   1   13   13   THR   HA     H   1   4.21   .   .   .   .   .   .   .   .   .   .   .   5111   1
      85   .   1   1   13   13   THR   HB     H   1   4.04   .   .   .   .   .   .   .   .   .   .   .   5111   1
      86   .   1   1   13   13   THR   HG1    H   1   4.83   .   .   .   .   .   .   .   .   .   .   .   5111   1
      87   .   1   1   13   13   THR   HG21   H   1   1.05   .   .   .   .   .   .   .   .   .   .   .   5111   1
      88   .   1   1   13   13   THR   HG22   H   1   1.05   .   .   .   .   .   .   .   .   .   .   .   5111   1
      89   .   1   1   13   13   THR   HG23   H   1   1.05   .   .   .   .   .   .   .   .   .   .   .   5111   1
      90   .   1   1   14   14   ALA   H      H   1   8.01   .   .   .   .   .   .   .   .   .   .   .   5111   1
      91   .   1   1   14   14   ALA   HA     H   1   4.18   .   .   .   .   .   .   .   .   .   .   .   5111   1
      92   .   1   1   14   14   ALA   HB1    H   1   1.26   .   .   .   .   .   .   .   .   .   .   .   5111   1
      93   .   1   1   14   14   ALA   HB2    H   1   1.26   .   .   .   .   .   .   .   .   .   .   .   5111   1
      94   .   1   1   14   14   ALA   HB3    H   1   1.26   .   .   .   .   .   .   .   .   .   .   .   5111   1
   stop_
save_