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                      11172
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $condition_233K
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $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                       'In the ring structure, the side chain of essential Asp61 takes on the COOH state.'
   _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   'Intra-residue 2D 13C-13C DARR'                    1   $sample_1   isotropic   11172   1
      2   'Inter-residue 2D CACA'                            1   $sample_1   isotropic   11172   1
      3   'Intra-residue 2D NCACB'                           1   $sample_1   isotropic   11172   1
      4   'Inter-residue 2D N(CO)CACB'                       1   $sample_1   isotropic   11172   1
      5   'Inter-residue 3D N(CO)CA'                         1   $sample_1   isotropic   11172   1
      6   'Intra-residue 3D NCACO'                           1   $sample_1   isotropic   11172   1
      7   '2H-selective 1H-depolarization 13C-NMR(CODSHD)'   1   $sample_1   isotropic   11172   1
      8   '13C rotational resonance'                         2   $sample_2   isotropic   11172   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   $SPARKY   .   .   11172   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   21   21   ALA   C     C   13   179     1     .   1   .   .   .   .   21   A   CO     .   11172   1
      2     .   1   1   21   21   ALA   CA    C   13   55.4    1     .   1   .   .   .   .   21   A   CA     .   11172   1
      3     .   1   1   21   21   ALA   CB    C   13   18.3    2     .   1   .   .   .   .   21   A   CB     .   11172   1
      4     .   1   1   21   21   ALA   N     N   15   120     3     .   1   .   .   .   .   21   A   NH     .   11172   1
      5     .   1   1   22   22   ILE   C     C   13   178     1     .   1   .   .   .   .   22   I   CO     .   11172   1
      6     .   1   1   22   22   ILE   CA    C   13   66.2    0.9   .   1   .   .   .   .   22   I   CA     .   11172   1
      7     .   1   1   22   22   ILE   CB    C   13   38.0    1     .   1   .   .   .   .   22   I   CB     .   11172   1
      8     .   1   1   22   22   ILE   CD1   C   13   14.7    1.3   .   1   .   .   .   .   22   I   CD     .   11172   1
      9     .   1   1   22   22   ILE   CG1   C   13   29.2    1.5   .   1   .   .   .   .   22   I   CG1    .   11172   1
      10    .   1   1   22   22   ILE   CG2   C   13   17.2    1.4   .   1   .   .   .   .   22   I   CG2    .   11172   1
      11    .   1   1   22   22   ILE   N     N   15   118     2     .   1   .   .   .   .   22   I   NH     .   11172   1
      12    .   1   1   23   23   GLY   C     C   13   175     1     .   1   .   .   .   .   23   G   CO     .   11172   1
      13    .   1   1   23   23   GLY   CA    C   13   48.4    0.6   .   1   .   .   .   .   23   G   CA     .   11172   1
      14    .   1   1   23   23   GLY   N     N   15   107     2     .   1   .   .   .   .   23   G   NH     .   11172   1
      15    .   1   1   24   24   ALA   C     C   13   179     2     .   1   .   .   .   .   24   A   CO     .   11172   1
      16    .   1   1   24   24   ALA   CA    C   13   55.3    0.7   .   1   .   .   .   .   24   A   CA     .   11172   1
      17    .   1   1   24   24   ALA   CB    C   13   18.4    1     .   1   .   .   .   .   24   A   CB     .   11172   1
      18    .   1   1   24   24   ALA   N     N   15   121     3     .   1   .   .   .   .   24   A   NH     .   11172   1
      19    .   1   1   25   25   ALA   C     C   13   179     2     .   1   .   .   .   .   25   A   CO     .   11172   1
      20    .   1   1   25   25   ALA   CA    C   13   55.7    1     .   1   .   .   .   .   25   A   CA     .   11172   1
      21    .   1   1   25   25   ALA   CB    C   13   18.3    2     .   1   .   .   .   .   25   A   CB     .   11172   1
      22    .   1   1   25   25   ALA   N     N   15   120     3     .   1   .   .   .   .   25   A   NH     .   11172   1
      23    .   1   1   26   26   ILE   C     C   13   178     1     .   1   .   .   .   .   26   I   CO     .   11172   1
      24    .   1   1   26   26   ILE   CA    C   13   66.6    0.9   .   1   .   .   .   .   26   I   CA     .   11172   1
      25    .   1   1   26   26   ILE   CB    C   13   38.0    1     .   1   .   .   .   .   26   I   CB     .   11172   1
      26    .   1   1   26   26   ILE   CD1   C   13   14.7    1.3   .   1   .   .   .   .   26   I   CD     .   11172   1
      27    .   1   1   26   26   ILE   CG1   C   13   29.2    1.5   .   1   .   .   .   .   26   I   CG1    .   11172   1
      28    .   1   1   26   26   ILE   CG2   C   13   17.2    1.4   .   1   .   .   .   .   26   I   CG2    .   11172   1
      29    .   1   1   26   26   ILE   N     N   15   118     5     .   1   .   .   .   .   26   I   NH     .   11172   1
      30    .   1   1   27   27   GLY   C     C   13   175     1     .   1   .   .   .   .   27   G   CO     .   11172   1
      31    .   1   1   27   27   GLY   CA    C   13   47.7    0.7   .   1   .   .   .   .   27   G   CA     .   11172   1
      32    .   1   1   27   27   GLY   N     N   15   107     2     .   1   .   .   .   .   27   G   NH     .   11172   1
      33    .   1   1   28   28   ILE   C     C   13   178     1     .   1   .   .   .   .   28   I   CO     .   11172   1
      34    .   1   1   28   28   ILE   CA    C   13   65.9    0.7   .   1   .   .   .   .   28   I   CA     .   11172   1
      35    .   1   1   28   28   ILE   CB    C   13   38.0    1     .   1   .   .   .   .   28   I   CB     .   11172   1
      36    .   1   1   28   28   ILE   CD1   C   13   14.7    1.3   .   1   .   .   .   .   28   I   CD     .   11172   1
      37    .   1   1   28   28   ILE   CG1   C   13   29.2    1.5   .   1   .   .   .   .   28   I   CG1    .   11172   1
      38    .   1   1   28   28   ILE   CG2   C   13   17.2    1.4   .   1   .   .   .   .   28   I   CG2    .   11172   1
      39    .   1   1   28   28   ILE   N     N   15   119     2     .   1   .   .   .   .   28   I   NH     .   11172   1
      40    .   1   1   29   29   GLY   C     C   13   175     1     .   1   .   .   .   .   29   G   CO     .   11172   1
      41    .   1   1   29   29   GLY   CA    C   13   47.6    0.7   .   1   .   .   .   .   29   G   CA     .   11172   1
      42    .   1   1   29   29   GLY   N     N   15   106     2     .   1   .   .   .   .   29   G   NH     .   11172   1
      43    .   1   1   30   30   ILE   C     C   13   178     1     .   1   .   .   .   .   30   I   CO     .   11172   1
      44    .   1   1   30   30   ILE   CA    C   13   65.9    0.7   .   1   .   .   .   .   30   I   CA     .   11172   1
      45    .   1   1   30   30   ILE   CB    C   13   38.0    1     .   1   .   .   .   .   30   I   CB     .   11172   1
      46    .   1   1   30   30   ILE   CD1   C   13   14.7    1.3   .   1   .   .   .   .   30   I   CD     .   11172   1
      47    .   1   1   30   30   ILE   CG1   C   13   29.2    1.5   .   1   .   .   .   .   30   I   CG1    .   11172   1
      48    .   1   1   30   30   ILE   CG2   C   13   17.2    1.4   .   1   .   .   .   .   30   I   CG2    .   11172   1
      49    .   1   1   30   30   ILE   N     N   15   120     2     .   1   .   .   .   .   30   I   NH     .   11172   1
      50    .   1   1   31   31   LEU   C     C   13   179     1     .   1   .   .   .   .   31   L   CO     .   11172   1
      51    .   1   1   31   31   LEU   CA    C   13   58.5    0.7   .   1   .   .   .   .   31   L   CA     .   11172   1
      52    .   1   1   31   31   LEU   CB    C   13   41.4    1.4   .   1   .   .   .   .   31   L   CB     .   11172   1
      53    .   1   1   31   31   LEU   CD1   C   13   23.4    1.9   .   2   .   .   .   .   31   L   CD#    .   11172   1
      54    .   1   1   31   31   LEU   CD2   C   13   23.4    1.9   .   2   .   .   .   .   31   L   CD#    .   11172   1
      55    .   1   1   31   31   LEU   CG    C   13   26.8    1.4   .   1   .   .   .   .   31   L   CG     .   11172   1
      56    .   1   1   31   31   LEU   N     N   15   119     1     .   1   .   .   .   .   31   L   NH     .   11172   1
      57    .   1   1   32   32   GLY   C     C   13   175     1     .   1   .   .   .   .   32   G   CO     .   11172   1
      58    .   1   1   32   32   GLY   CA    C   13   47.5    0.7   .   1   .   .   .   .   32   G   CA     .   11172   1
      59    .   1   1   32   32   GLY   N     N   15   108     2     .   1   .   .   .   .   32   G   NH     .   11172   1
      60    .   1   1   33   33   GLY   C     C   13   175     1     .   1   .   .   .   .   33   G   CO     .   11172   1
      61    .   1   1   33   33   GLY   CA    C   13   47.5    0.7   .   1   .   .   .   .   33   G   CA     .   11172   1
      62    .   1   1   33   33   GLY   N     N   15   108     1     .   1   .   .   .   .   33   G   NH     .   11172   1
      63    .   1   1   34   34   LYS   C     C   13   179     1     .   1   .   .   .   .   34   K   CO     .   11172   1
      64    .   1   1   34   34   LYS   CA    C   13   58.0    0.8   .   1   .   .   .   .   34   K   CA     .   11172   1
      65    .   1   1   34   34   LYS   N     N   15   120     2     .   1   .   .   .   .   34   K   NH     .   11172   1
      66    .   1   1   37   37   GLU   C     C   13   179     1     .   1   .   .   .   .   37   E   CO     .   11172   1
      67    .   1   1   37   37   GLU   CA    C   13   59.8    0.7   .   1   .   .   .   .   37   E   CA     .   11172   1
      68    .   1   1   37   37   GLU   N     N   15   120     2     .   1   .   .   .   .   37   E   NH     .   11172   1
      69    .   1   1   38   38   GLY   C     C   13   175     1     .   1   .   .   .   .   38   G   CO     .   11172   1
      70    .   1   1   38   38   GLY   CA    C   13   47.0    0.8   .   1   .   .   .   .   38   G   CA     .   11172   1
      71    .   1   1   38   38   GLY   N     N   15   108     1     .   1   .   .   .   .   38   G   NH     .   11172   1
      72    .   1   1   39   39   ALA   C     C   13   179     1     .   1   .   .   .   .   39   A   CO     .   11172   1
      73    .   1   1   39   39   ALA   CA    C   13   53.6    0.7   .   1   .   .   .   .   39   A   CA     .   11172   1
      74    .   1   1   39   39   ALA   CB    C   13   18.9    1.5   .   1   .   .   .   .   39   A   CB     .   11172   1
      75    .   1   1   39   39   ALA   N     N   15   122     3     .   1   .   .   .   .   39   A   NH     .   11172   1
      76    .   1   1   42   42   GLN   C     C   13   174     1     .   1   .   .   .   .   42   Q   CO     .   11172   1
      77    .   1   1   42   42   GLN   CA    C   13   55.3    0.7   .   1   .   .   .   .   42   Q   CA     .   11172   1
      78    .   1   1   42   42   GLN   N     N   15   120     3     .   1   .   .   .   .   42   Q   NH     .   11172   1
      79    .   1   1   43   43   PRO   CA    C   13   62.0    1     .   1   .   .   .   .   43   P   CA     .   11172   1
      80    .   1   1   43   43   PRO   N     N   15   134     1     .   1   .   .   .   .   43   P   NH     .   11172   1
      81    .   1   1   51   51   THR   C     C   13   178     1     .   1   .   .   .   .   51   T   CO     .   11172   1
      82    .   1   1   51   51   THR   CA    C   13   65.5    1     .   1   .   .   .   .   51   T   CA     .   11172   1
      83    .   1   1   51   51   THR   CB    C   13   67.3    1     .   1   .   .   .   .   51   T   CB     .   11172   1
      84    .   1   1   51   51   THR   N     N   15   116     3     .   1   .   .   .   .   51   T   NH     .   11172   1
      85    .   1   1   55   55   ILE   C     C   13   178     1     .   1   .   .   .   .   55   I   CO     .   11172   1
      86    .   1   1   55   55   ILE   CA    C   13   65.9    0.6   .   1   .   .   .   .   55   I   CA     .   11172   1
      87    .   1   1   55   55   ILE   CB    C   13   38.0    1     .   1   .   .   .   .   55   I   CB     .   11172   1
      88    .   1   1   55   55   ILE   CD1   C   13   14.7    1.3   .   1   .   .   .   .   55   I   CD     .   11172   1
      89    .   1   1   55   55   ILE   CG1   C   13   29.2    1.5   .   1   .   .   .   .   55   I   CG1    .   11172   1
      90    .   1   1   55   55   ILE   CG2   C   13   17.2    1.4   .   1   .   .   .   .   55   I   CG2    .   11172   1
      91    .   1   1   55   55   ILE   N     N   15   119     3     .   1   .   .   .   .   55   I   NH     .   11172   1
      92    .   1   1   56   56   VAL   CA    C   13   66.2    0.6   .   1   .   .   .   .   56   V   CA     .   11172   1
      93    .   1   1   56   56   VAL   CB    C   13   31.3    1     .   1   .   .   .   .   56   V   CB     .   11172   1
      94    .   1   1   56   56   VAL   CG1   C   13   22.7    1.7   .   2   .   .   .   .   56   V   CG#    .   11172   1
      95    .   1   1   56   56   VAL   CG2   C   13   22.7    1.7   .   2   .   .   .   .   56   V   CG#    .   11172   1
      96    .   1   1   57   57   MET   C     C   13   179     1     .   1   .   .   .   .   57   M   CO     .   11172   1
      97    .   1   1   57   57   MET   CA    C   13   58.7    0.7   .   1   .   .   .   .   57   M   CA     .   11172   1
      98    .   1   1   57   57   MET   N     N   15   119     3     .   1   .   .   .   .   57   M   NH     .   11172   1
      99    .   1   1   58   58   GLY   C     C   13   175     1     .   1   .   .   .   .   58   G   CO     .   11172   1
      100   .   1   1   58   58   GLY   CA    C   13   47.8    0.8   .   1   .   .   .   .   58   G   CA     .   11172   1
      101   .   1   1   58   58   GLY   N     N   15   107     2     .   1   .   .   .   .   58   G   NH     .   11172   1
      102   .   1   1   59   59   LEU   C     C   13   179     2     .   1   .   .   .   .   59   L   CO     .   11172   1
      103   .   1   1   59   59   LEU   CA    C   13   58.2    0.8   .   1   .   .   .   .   59   L   CA     .   11172   1
      104   .   1   1   59   59   LEU   CB    C   13   41.4    1.4   .   1   .   .   .   .   59   L   CB     .   11172   1
      105   .   1   1   59   59   LEU   CD1   C   13   23.4    1.9   .   2   .   .   .   .   59   L   CD#    .   11172   1
      106   .   1   1   59   59   LEU   CD2   C   13   23.4    1.9   .   2   .   .   .   .   59   L   CD#    .   11172   1
      107   .   1   1   59   59   LEU   CG    C   13   26.8    1.4   .   1   .   .   .   .   59   L   CG     .   11172   1
      108   .   1   1   59   59   LEU   N     N   15   122     2     .   1   .   .   .   .   59   L   NH     .   11172   1
      109   .   1   1   61   61   ASP   CG    C   13   179.6   1.2   .   1   .   .   .   .   61   D   COOH   .   11172   1
      110   .   1   1   67   67   ALA   C     C   13   179     2     .   1   .   .   .   .   67   A   CO     .   11172   1
      111   .   1   1   67   67   ALA   CA    C   13   55.6    0.7   .   1   .   .   .   .   67   A   CA     .   11172   1
      112   .   1   1   67   67   ALA   CB    C   13   18.3    2     .   1   .   .   .   .   67   A   CB     .   11172   1
      113   .   1   1   67   67   ALA   N     N   15   119     2     .   1   .   .   .   .   67   A   NH     .   11172   1
      114   .   1   1   68   68   VAL   C     C   13   178     1     .   1   .   .   .   .   68   V   CO     .   11172   1
      115   .   1   1   68   68   VAL   CA    C   13   66.4    0.9   .   1   .   .   .   .   68   V   CA     .   11172   1
      116   .   1   1   68   68   VAL   CB    C   13   31.3    1     .   1   .   .   .   .   68   V   CB     .   11172   1
      117   .   1   1   68   68   VAL   CG1   C   13   22.7    1.7   .   2   .   .   .   .   68   V   CG#    .   11172   1
      118   .   1   1   68   68   VAL   CG2   C   13   22.7    1.7   .   2   .   .   .   .   68   V   CG#    .   11172   1
      119   .   1   1   68   68   VAL   N     N   15   119     3     .   1   .   .   .   .   68   V   NH     .   11172   1
      120   .   1   1   69   69   GLY   C     C   13   175     1     .   1   .   .   .   .   69   G   CO     .   11172   1
      121   .   1   1   69   69   GLY   CA    C   13   47.9    0.8   .   1   .   .   .   .   69   G   CA     .   11172   1
      122   .   1   1   69   69   GLY   N     N   15   108     2     .   1   .   .   .   .   69   G   NH     .   11172   1
      123   .   1   1   70   70   LEU   C     C   13   179     1     .   1   .   .   .   .   70   L   CO     .   11172   1
      124   .   1   1   70   70   LEU   CA    C   13   58.2    0.8   .   1   .   .   .   .   70   L   CA     .   11172   1
      125   .   1   1   70   70   LEU   CB    C   13   41.4    1.4   .   1   .   .   .   .   70   L   CB     .   11172   1
      126   .   1   1   70   70   LEU   CD1   C   13   23.4    1.9   .   2   .   .   .   .   70   L   CD#    .   11172   1
      127   .   1   1   70   70   LEU   CD2   C   13   23.4    1.9   .   2   .   .   .   .   70   L   CD#    .   11172   1
      128   .   1   1   70   70   LEU   CG    C   13   26.8    1.4   .   1   .   .   .   .   70   L   CG     .   11172   1
      129   .   1   1   70   70   LEU   N     N   15   122     2     .   1   .   .   .   .   70   L   NH     .   11172   1
      130   .   1   1   71   71   GLY   C     C   13   175     1     .   1   .   .   .   .   71   G   CO     .   11172   1
      131   .   1   1   71   71   GLY   CA    C   13   47.9    0.8   .   1   .   .   .   .   71   G   CA     .   11172   1
      132   .   1   1   71   71   GLY   N     N   15   108     2     .   1   .   .   .   .   71   G   NH     .   11172   1
      133   .   1   1   72   72   LEU   C     C   13   178     1     .   1   .   .   .   .   72   L   CO     .   11172   1
      134   .   1   1   72   72   LEU   CA    C   13   58.2    0.8   .   1   .   .   .   .   72   L   CA     .   11172   1
      135   .   1   1   72   72   LEU   CB    C   13   41.4    1.4   .   1   .   .   .   .   72   L   CB     .   11172   1
      136   .   1   1   72   72   LEU   CD1   C   13   23.4    1.9   .   2   .   .   .   .   72   L   CD#    .   11172   1
      137   .   1   1   72   72   LEU   CD2   C   13   23.4    1.9   .   2   .   .   .   .   72   L   CD#    .   11172   1
      138   .   1   1   72   72   LEU   CG    C   13   26.8    1.4   .   1   .   .   .   .   72   L   CG     .   11172   1
      139   .   1   1   72   72   LEU   N     N   15   122     2     .   1   .   .   .   .   72   L   NH     .   11172   1
      140   .   1   1   73   73   TYR   C     C   13   178     1     .   1   .   .   .   .   73   Y   CO     .   11172   1
      141   .   1   1   73   73   TYR   CA    C   13   60.4    0.6   .   1   .   .   .   .   73   Y   CA     .   11172   1
      142   .   1   1   73   73   TYR   CB    C   13   41.1    0.6   .   1   .   .   .   .   73   Y   CB     .   11172   1
      143   .   1   1   73   73   TYR   N     N   15   119     3     .   1   .   .   .   .   73   Y   NH     .   11172   1
      144   .   1   1   74   74   VAL   C     C   13   178     1     .   1   .   .   .   .   74   V   CO     .   11172   1
      145   .   1   1   74   74   VAL   CA    C   13   66.9    0.6   .   1   .   .   .   .   74   V   CA     .   11172   1
      146   .   1   1   74   74   VAL   CB    C   13   31.3    1     .   1   .   .   .   .   74   V   CB     .   11172   1
      147   .   1   1   74   74   VAL   CG1   C   13   22.7    1.7   .   2   .   .   .   .   74   V   CG#    .   11172   1
      148   .   1   1   74   74   VAL   CG2   C   13   22.7    1.7   .   2   .   .   .   .   74   V   CG#    .   11172   1
      149   .   1   1   74   74   VAL   N     N   15   118     3     .   1   .   .   .   .   74   V   NH     .   11172   1
      150   .   1   1   76   76   PHE   C     C   13   174     1     .   1   .   .   .   .   76   F   CO     .   11172   1
      151   .   1   1   76   76   PHE   CA    C   13   59.5    0.7   .   1   .   .   .   .   76   F   CA     .   11172   1
      152   .   1   1   76   76   PHE   N     N   15   116     1     .   1   .   .   .   .   76   F   NH     .   11172   1
      153   .   1   1   77   77   ALA   C     C   13   175     1     .   1   .   .   .   .   77   A   CO     .   11172   1
      154   .   1   1   77   77   ALA   CA    C   13   50.7    0.7   .   1   .   .   .   .   77   A   CA     .   11172   1
      155   .   1   1   77   77   ALA   CB    C   13   20.0    0.6   .   1   .   .   .   .   77   A   CB     .   11172   1
      156   .   1   1   77   77   ALA   N     N   15   127     2     .   1   .   .   .   .   77   A   NH     .   11172   1
      157   .   1   1   78   78   VAL   C     C   13   177     1     .   1   .   .   .   .   78   V   CO     .   11172   1
      158   .   1   1   78   78   VAL   CA    C   13   61.7    0.7   .   1   .   .   .   .   78   V   CA     .   11172   1
      159   .   1   1   78   78   VAL   CB    C   13   35.5    1.4   .   1   .   .   .   .   78   V   CB     .   11172   1
      160   .   1   1   78   78   VAL   CG1   C   13   21.4    1.4   .   2   .   .   .   .   78   V   CG#    .   11172   1
      161   .   1   1   78   78   VAL   CG2   C   13   21.4    1.4   .   2   .   .   .   .   78   V   CG#    .   11172   1
      162   .   1   1   78   78   VAL   N     N   15   118     1     .   1   .   .   .   .   78   V   NH     .   11172   1
   stop_
save_