Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"

    save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      50584
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          'list 1'
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chem_shift_reference_1
   _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 1H-15N HSQC'   .   .   .   50584   1
   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      2   $software_2   .   .   50584   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
      _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   3    3    ASP   H   H   1    8.315     .   .   .   .   .   .   .   .   632   D   H   .   50584   1
      2    .   1   .   1   3    3    ASP   N   N   15   122.730   .   .   .   .   .   .   .   .   632   D   N   .   50584   1
      3    .   1   .   1   4    4    LYS   H   H   1    8.085     .   .   .   .   .   .   .   .   633   K   H   .   50584   1
      4    .   1   .   1   4    4    LYS   N   N   15   121.863   .   .   .   .   .   .   .   .   633   K   N   .   50584   1
      5    .   1   .   1   5    5    THR   H   H   1    8.028     .   .   .   .   .   .   .   .   634   T   H   .   50584   1
      6    .   1   .   1   5    5    THR   N   N   15   115.822   .   .   .   .   .   .   .   .   634   T   N   .   50584   1
      7    .   1   .   1   6    6    LEU   H   H   1    7.936     .   .   .   .   .   .   .   .   635   L   H   .   50584   1
      8    .   1   .   1   6    6    LEU   N   N   15   125.924   .   .   .   .   .   .   .   .   635   L   N   .   50584   1
      9    .   1   .   1   8    8    ASP   H   H   1    8.150     .   .   .   .   .   .   .   .   637   D   H   .   50584   1
      10   .   1   .   1   8    8    ASP   N   N   15   120.326   .   .   .   .   .   .   .   .   637   D   N   .   50584   1
      11   .   1   .   1   9    9    GLN   H   H   1    8.110     .   .   .   .   .   .   .   .   638   Q   H   .   50584   1
      12   .   1   .   1   9    9    GLN   N   N   15   120.901   .   .   .   .   .   .   .   .   638   Q   N   .   50584   1
      13   .   1   .   1   10   10   GLY   H   H   1    8.263     .   .   .   .   .   .   .   .   639   G   H   .   50584   1
      14   .   1   .   1   10   10   GLY   N   N   15   110.136   .   .   .   .   .   .   .   .   639   G   N   .   50584   1
      15   .   1   .   1   11   11   ASP   H   H   1    8.060     .   .   .   .   .   .   .   .   640   D   H   .   50584   1
      16   .   1   .   1   11   11   ASP   N   N   15   120.768   .   .   .   .   .   .   .   .   640   D   N   .   50584   1
      17   .   1   .   1   12   12   ASN   H   H   1    8.214     .   .   .   .   .   .   .   .   641   N   H   .   50584   1
      18   .   1   .   1   12   12   ASN   N   N   15   119.196   .   .   .   .   .   .   .   .   641   N   N   .   50584   1
      19   .   1   .   1   13   13   ASP   H   H   1    8.097     .   .   .   .   .   .   .   .   642   D   H   .   50584   1
      20   .   1   .   1   13   13   ASP   N   N   15   120.660   .   .   .   .   .   .   .   .   642   D   N   .   50584   1
      21   .   1   .   1   14   14   ASN   H   H   1    7.945     .   .   .   .   .   .   .   .   643   N   H   .   50584   1
      22   .   1   .   1   14   14   ASN   N   N   15   118.783   .   .   .   .   .   .   .   .   643   N   N   .   50584   1
      23   .   1   .   1   15   15   TRP   H   H   1    8.079     .   .   .   .   .   .   .   .   644   W   H   .   50584   1
      24   .   1   .   1   15   15   TRP   N   N   15   122.178   .   .   .   .   .   .   .   .   644   W   N   .   50584   1
      25   .   1   .   1   16   16   TRP   H   H   1    7.095     .   .   .   .   .   .   .   .   645   W   H   .   50584   1
      26   .   1   .   1   16   16   TRP   N   N   15   118.094   .   .   .   .   .   .   .   .   645   W   N   .   50584   1
      27   .   1   .   1   17   17   THR   H   H   1    7.396     .   .   .   .   .   .   .   .   646   T   H   .   50584   1
      28   .   1   .   1   17   17   THR   N   N   15   113.746   .   .   .   .   .   .   .   .   646   T   N   .   50584   1
      29   .   1   .   1   18   18   GLY   H   H   1    7.991     .   .   .   .   .   .   .   .   647   G   H   .   50584   1
      30   .   1   .   1   18   18   GLY   N   N   15   110.574   .   .   .   .   .   .   .   .   647   G   N   .   50584   1
      31   .   1   .   1   19   19   TRP   H   H   1    7.474     .   .   .   .   .   .   .   .   648   W   H   .   50584   1
      32   .   1   .   1   19   19   TRP   N   N   15   120.555   .   .   .   .   .   .   .   .   648   W   N   .   50584   1
      33   .   1   .   1   20   20   ARG   H   H   1    7.242     .   .   .   .   .   .   .   .   649   R   H   .   50584   1
      34   .   1   .   1   20   20   ARG   N   N   15   119.485   .   .   .   .   .   .   .   .   649   R   N   .   50584   1
      35   .   1   .   1   21   21   GLN   H   H   1    7.628     .   .   .   .   .   .   .   .   650   Q   H   .   50584   1
      36   .   1   .   1   21   21   GLN   N   N   15   116.050   .   .   .   .   .   .   .   .   650   Q   N   .   50584   1
      37   .   1   .   1   22   22   TRP   H   H   1    7.572     .   .   .   .   .   .   .   .   651   W   H   .   50584   1
      38   .   1   .   1   22   22   TRP   N   N   15   118.500   .   .   .   .   .   .   .   .   651   W   N   .   50584   1
      39   .   1   .   1   23   23   ILE   H   H   1    7.358     .   .   .   .   .   .   .   .   652   I   H   .   50584   1
      40   .   1   .   1   23   23   ILE   N   N   15   118.555   .   .   .   .   .   .   .   .   652   I   N   .   50584   1
      41   .   1   .   1   26   26   GLY   H   H   1    8.387     .   .   .   .   .   .   .   .   655   G   H   .   50584   1
      42   .   1   .   1   26   26   GLY   N   N   15   106.421   .   .   .   .   .   .   .   .   655   G   N   .   50584   1
      43   .   1   .   1   28   28   GLY   H   H   1    8.170     .   .   .   .   .   .   .   .   657   G   H   .   50584   1
      44   .   1   .   1   28   28   GLY   N   N   15   109.803   .   .   .   .   .   .   .   .   657   G   N   .   50584   1
      45   .   1   .   1   29   29   VAL   H   H   1    8.449     .   .   .   .   .   .   .   .   658   V   H   .   50584   1
      46   .   1   .   1   29   29   VAL   N   N   15   120.221   .   .   .   .   .   .   .   .   658   V   N   .   50584   1
      47   .   1   .   1   30   30   THR   H   H   1    8.039     .   .   .   .   .   .   .   .   659   T   H   .   50584   1
      48   .   1   .   1   30   30   THR   N   N   15   116.265   .   .   .   .   .   .   .   .   659   T   N   .   50584   1
      49   .   1   .   1   31   31   GLY   H   H   1    8.143     .   .   .   .   .   .   .   .   660   G   H   .   50584   1
      50   .   1   .   1   31   31   GLY   N   N   15   107.765   .   .   .   .   .   .   .   .   660   G   N   .   50584   1
      51   .   1   .   1   32   32   VAL   H   H   1    7.690     .   .   .   .   .   .   .   .   661   V   H   .   50584   1
      52   .   1   .   1   32   32   VAL   N   N   15   120.584   .   .   .   .   .   .   .   .   661   V   N   .   50584   1
      53   .   1   .   1   33   33   VAL   H   H   1    8.041     .   .   .   .   .   .   .   .   662   V   H   .   50584   1
      54   .   1   .   1   33   33   VAL   N   N   15   119.106   .   .   .   .   .   .   .   .   662   V   N   .   50584   1
      55   .   1   .   1   34   34   ILE   H   H   1    8.135     .   .   .   .   .   .   .   .   663   I   H   .   50584   1
      56   .   1   .   1   34   34   ILE   N   N   15   117.924   .   .   .   .   .   .   .   .   663   I   N   .   50584   1
      57   .   1   .   1   35   35   ALA   H   H   1    8.069     .   .   .   .   .   .   .   .   664   A   H   .   50584   1
      58   .   1   .   1   35   35   ALA   N   N   15   121.456   .   .   .   .   .   .   .   .   664   A   N   .   50584   1
      59   .   1   .   1   36   36   VAL   H   H   1    8.186     .   .   .   .   .   .   .   .   665   V   H   .   50584   1
      60   .   1   .   1   36   36   VAL   N   N   15   116.542   .   .   .   .   .   .   .   .   665   V   N   .   50584   1
      61   .   1   .   1   37   37   ILE   H   H   1    8.100     .   .   .   .   .   .   .   .   666   I   H   .   50584   1
      62   .   1   .   1   37   37   ILE   N   N   15   119.592   .   .   .   .   .   .   .   .   666   I   N   .   50584   1
      63   .   1   .   1   38   38   ALA   H   H   1    8.549     .   .   .   .   .   .   .   .   667   A   H   .   50584   1
      64   .   1   .   1   38   38   ALA   N   N   15   121.291   .   .   .   .   .   .   .   .   667   A   N   .   50584   1
      65   .   1   .   1   39   39   LEU   H   H   1    8.225     .   .   .   .   .   .   .   .   668   L   H   .   50584   1
      66   .   1   .   1   39   39   LEU   N   N   15   117.464   .   .   .   .   .   .   .   .   668   L   N   .   50584   1
      67   .   1   .   1   40   40   PHE   H   H   1    8.239     .   .   .   .   .   .   .   .   669   F   H   .   50584   1
      68   .   1   .   1   40   40   PHE   N   N   15   118.609   .   .   .   .   .   .   .   .   669   F   N   .   50584   1
      69   .   1   .   1   41   41   ALA   H   H   1    8.424     .   .   .   .   .   .   .   .   670   A   H   .   50584   1
      70   .   1   .   1   41   41   ALA   N   N   15   120.747   .   .   .   .   .   .   .   .   670   A   N   .   50584   1
      71   .   1   .   1   42   42   ILE   H   H   1    8.257     .   .   .   .   .   .   .   .   671   I   H   .   50584   1
      72   .   1   .   1   42   42   ILE   N   N   15   116.405   .   .   .   .   .   .   .   .   671   I   N   .   50584   1
      73   .   1   .   1   43   43   ALA   H   H   1    8.134     .   .   .   .   .   .   .   .   672   A   H   .   50584   1
      74   .   1   .   1   43   43   ALA   N   N   15   121.803   .   .   .   .   .   .   .   .   672   A   N   .   50584   1
      75   .   1   .   1   44   44   LYS   H   H   1    7.673     .   .   .   .   .   .   .   .   673   K   H   .   50584   1
      76   .   1   .   1   44   44   LYS   N   N   15   114.462   .   .   .   .   .   .   .   .   673   K   N   .   50584   1
      77   .   1   .   1   45   45   PHE   H   H   1    7.839     .   .   .   .   .   .   .   .   674   F   H   .   50584   1
      78   .   1   .   1   45   45   PHE   N   N   15   115.828   .   .   .   .   .   .   .   .   674   F   N   .   50584   1
      79   .   1   .   1   46   46   VAL   H   H   1    7.655     .   .   .   .   .   .   .   .   675   V   H   .   50584   1
      80   .   1   .   1   46   46   VAL   N   N   15   115.529   .   .   .   .   .   .   .   .   675   V   N   .   50584   1
      81   .   1   .   1   47   47   PHE   H   H   1    7.327     .   .   .   .   .   .   .   .   676   F   H   .   50584   1
      82   .   1   .   1   47   47   PHE   N   N   15   123.909   .   .   .   .   .   .   .   .   676   F   N   .   50584   1
   stop_
save_