Content for NMR-STAR saveframe, "chemical_shift_1"

    save_chemical_shift_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_1
   _Assigned_chem_shift_list.Entry_ID                      5585
   _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   $sample_1   .   5585   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    ILE   HA     H   1   4.026   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      2     .   1   1   1    1    ILE   HB     H   1   2.139   0.016   .   1   .   .   .   .   .   .   .   .   5585   1
      3     .   1   1   1    1    ILE   HG21   H   1   1.112   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      4     .   1   1   1    1    ILE   HG22   H   1   1.112   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      5     .   1   1   1    1    ILE   HG23   H   1   1.112   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      6     .   1   1   1    1    ILE   HG12   H   1   1.682   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      7     .   1   1   1    1    ILE   HG13   H   1   1.401   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      8     .   1   1   1    1    ILE   HD11   H   1   1.182   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      9     .   1   1   1    1    ILE   HD12   H   1   1.182   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      10    .   1   1   1    1    ILE   HD13   H   1   1.182   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      11    .   1   1   2    2    ARG   H      H   1   8.968   0.004   .   1   .   .   .   .   .   .   .   .   5585   1
      12    .   1   1   2    2    ARG   HA     H   1   4.511   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      13    .   1   1   2    2    ARG   HB2    H   1   2.000   0.009   .   2   .   .   .   .   .   .   .   .   5585   1
      14    .   1   1   2    2    ARG   HB3    H   1   1.955   0.002   .   2   .   .   .   .   .   .   .   .   5585   1
      15    .   1   1   2    2    ARG   HG2    H   1   1.774   0.002   .   2   .   .   .   .   .   .   .   .   5585   1
      16    .   1   1   3    3    ASP   HA     H   1   4.815   0.004   .   1   .   .   .   .   .   .   .   .   5585   1
      17    .   1   1   3    3    ASP   HB2    H   1   3.106   0.007   .   1   .   .   .   .   .   .   .   .   5585   1
      18    .   1   1   3    3    ASP   HB3    H   1   3.011   0.011   .   1   .   .   .   .   .   .   .   .   5585   1
      19    .   1   1   4    4    CGU   HA     H   1   4.431   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      20    .   1   1   4    4    CGU   H      H   1   9.103   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      21    .   1   1   4    4    CGU   HG     H   1   3.559   0.004   .   1   .   .   .   .   .   .   .   .   5585   1
      22    .   1   1   4    4    CGU   HB2    H   1   2.568   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      23    .   1   1   4    4    CGU   HB3    H   1   2.463   0.011   .   1   .   .   .   .   .   .   .   .   5585   1
      24    .   1   1   5    5    CYS   H      H   1   8.659   0.010   .   1   .   .   .   .   .   .   .   .   5585   1
      25    .   1   1   5    5    CYS   HA     H   1   4.610   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      26    .   1   1   5    5    CYS   HB2    H   1   3.450   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      27    .   1   1   5    5    CYS   HB3    H   1   2.967   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      28    .   1   1   6    6    CYS   H      H   1   8.371   0.012   .   1   .   .   .   .   .   .   .   .   5585   1
      29    .   1   1   6    6    CYS   HA     H   1   4.528   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      30    .   1   1   6    6    CYS   HB2    H   1   3.422   0.005   .   1   .   .   .   .   .   .   .   .   5585   1
      31    .   1   1   6    6    CYS   HB3    H   1   3.081   0.001   .   1   .   .   .   .   .   .   .   .   5585   1
      32    .   1   1   7    7    SER   H      H   1   8.053   0.011   .   1   .   .   .   .   .   .   .   .   5585   1
      33    .   1   1   7    7    SER   HA     H   1   4.669   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      34    .   1   1   7    7    SER   HB2    H   1   4.130   0.003   .   2   .   .   .   .   .   .   .   .   5585   1
      35    .   1   1   8    8    ASN   H      H   1   8.082   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      36    .   1   1   8    8    ASN   HA     H   1   5.451   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      37    .   1   1   8    8    ASN   HB2    H   1   3.349   0.001   .   2   .   .   .   .   .   .   .   .   5585   1
      38    .   1   1   8    8    ASN   HB3    H   1   3.041   0.011   .   2   .   .   .   .   .   .   .   .   5585   1
      39    .   1   1   8    8    ASN   HD21   H   1   8.082   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      40    .   1   1   8    8    ASN   HD22   H   1   7.364   0.012   .   1   .   .   .   .   .   .   .   .   5585   1
      41    .   1   1   9    9    PRO   HA     H   1   4.273   0.006   .   1   .   .   .   .   .   .   .   .   5585   1
      42    .   1   1   9    9    PRO   HB2    H   1   2.569   0.012   .   1   .   .   .   .   .   .   .   .   5585   1
      43    .   1   1   9    9    PRO   HB3    H   1   2.355   0.014   .   1   .   .   .   .   .   .   .   .   5585   1
      44    .   1   1   9    9    PRO   HG2    H   1   2.209   0.014   .   2   .   .   .   .   .   .   .   .   5585   1
      45    .   1   1   9    9    PRO   HD2    H   1   4.241   0.004   .   2   .   .   .   .   .   .   .   .   5585   1
      46    .   1   1   9    9    PRO   HD3    H   1   4.104   0.003   .   2   .   .   .   .   .   .   .   .   5585   1
      47    .   1   1   10   10   ALA   H      H   1   7.909   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      48    .   1   1   10   10   ALA   HA     H   1   4.325   0.004   .   1   .   .   .   .   .   .   .   .   5585   1
      49    .   1   1   10   10   ALA   HB1    H   1   1.543   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      50    .   1   1   10   10   ALA   HB2    H   1   1.543   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      51    .   1   1   10   10   ALA   HB3    H   1   1.543   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      52    .   1   1   11   11   CYS   H      H   1   8.098   0.012   .   1   .   .   .   .   .   .   .   .   5585   1
      53    .   1   1   11   11   CYS   HA     H   1   4.464   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      54    .   1   1   11   11   CYS   HB2    H   1   4.252   0.004   .   1   .   .   .   .   .   .   .   .   5585   1
      55    .   1   1   11   11   CYS   HB3    H   1   3.491   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      56    .   1   1   12   12   ARG   H      H   1   8.637   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      57    .   1   1   12   12   ARG   HA     H   1   4.113   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      58    .   1   1   12   12   ARG   HB2    H   1   2.163   0.009   .   2   .   .   .   .   .   .   .   .   5585   1
      59    .   1   1   12   12   ARG   HB3    H   1   2.038   0.014   .   2   .   .   .   .   .   .   .   .   5585   1
      60    .   1   1   12   12   ARG   HG2    H   1   1.920   0.012   .   2   .   .   .   .   .   .   .   .   5585   1
      61    .   1   1   12   12   ARG   HG3    H   1   1.780   0.014   .   2   .   .   .   .   .   .   .   .   5585   1
      62    .   1   1   13   13   VAL   H      H   1   7.706   0.010   .   1   .   .   .   .   .   .   .   .   5585   1
      63    .   1   1   13   13   VAL   HA     H   1   4.062   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      64    .   1   1   13   13   VAL   HB     H   1   2.318   0.012   .   1   .   .   .   .   .   .   .   .   5585   1
      65    .   1   1   13   13   VAL   HG11   H   1   1.173   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      66    .   1   1   13   13   VAL   HG12   H   1   1.173   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      67    .   1   1   13   13   VAL   HG13   H   1   1.173   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      68    .   1   1   13   13   VAL   HG21   H   1   1.099   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      69    .   1   1   13   13   VAL   HG22   H   1   1.099   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      70    .   1   1   13   13   VAL   HG23   H   1   1.099   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      71    .   1   1   14   14   ASN   H      H   1   7.786   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      72    .   1   1   14   14   ASN   HA     H   1   4.932   0.001   .   1   .   .   .   .   .   .   .   .   5585   1
      73    .   1   1   14   14   ASN   HB2    H   1   3.088   0.002   .   2   .   .   .   .   .   .   .   .   5585   1
      74    .   1   1   14   14   ASN   HB3    H   1   2.897   0.002   .   2   .   .   .   .   .   .   .   .   5585   1
      75    .   1   1   14   14   ASN   HD21   H   1   7.866   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      76    .   1   1   14   14   ASN   HD22   H   1   7.127   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      77    .   1   1   15   15   ASN   H      H   1   7.844   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      78    .   1   1   15   15   ASN   HA     H   1   5.280   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      79    .   1   1   15   15   ASN   HB2    H   1   2.906   0.010   .   2   .   .   .   .   .   .   .   .   5585   1
      80    .   1   1   15   15   ASN   HB3    H   1   2.839   0.013   .   2   .   .   .   .   .   .   .   .   5585   1
      81    .   1   1   15   15   ASN   HD21   H   1   7.879   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      82    .   1   1   15   15   ASN   HD22   H   1   7.474   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      83    .   1   1   16   16   HYP   HA     H   1   4.667   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      84    .   1   1   16   16   HYP   HB2    H   1   2.406   0.014   .   1   .   .   .   .   .   .   .   .   5585   1
      85    .   1   1   16   16   HYP   HB3    H   1   2.066   0.010   .   1   .   .   .   .   .   .   .   .   5585   1
      86    .   1   1   16   16   HYP   HG     H   1   4.512   0.003   .   2   .   .   .   .   .   .   .   .   5585   1
      87    .   1   1   16   16   HYP   HD22   H   1   3.970   0.011   .   2   .   .   .   .   .   .   .   .   5585   1
      88    .   1   1   16   16   HYP   HD23   H   1   3.711   0.010   .   2   .   .   .   .   .   .   .   .   5585   1
      89    .   1   1   17   17   HIS   H      H   1   8.896   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      90    .   1   1   17   17   HIS   HA     H   1   4.833   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      91    .   1   1   17   17   HIS   HB2    H   1   3.529   0.005   .   1   .   .   .   .   .   .   .   .   5585   1
      92    .   1   1   17   17   HIS   HB3    H   1   3.449   0.008   .   1   .   .   .   .   .   .   .   .   5585   1
      93    .   1   1   18   18   VAL   H      H   1   7.819   0.016   .   1   .   .   .   .   .   .   .   .   5585   1
      94    .   1   1   18   18   VAL   HA     H   1   4.367   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
      95    .   1   1   18   18   VAL   HB     H   1   2.342   0.014   .   1   .   .   .   .   .   .   .   .   5585   1
      96    .   1   1   18   18   VAL   HG11   H   1   1.113   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      97    .   1   1   18   18   VAL   HG12   H   1   1.113   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      98    .   1   1   18   18   VAL   HG13   H   1   1.113   0.003   .   1   .   .   .   .   .   .   .   .   5585   1
      99    .   1   1   19   19   CYS   H      H   1   8.209   0.001   .   1   .   .   .   .   .   .   .   .   5585   1
      100   .   1   1   19   19   CYS   HA     H   1   4.992   0.004   .   1   .   .   .   .   .   .   .   .   5585   1
      101   .   1   1   19   19   CYS   HB2    H   1   3.455   0.009   .   1   .   .   .   .   .   .   .   .   5585   1
      102   .   1   1   19   19   CYS   HB3    H   1   2.958   0.002   .   1   .   .   .   .   .   .   .   .   5585   1
   stop_
save_