Content for NMR-STAR saveframe, "GB1_formulation_D_chemical_shifts"

    save_GB1_formulation_D_chemical_shifts
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  GB1_formulation_D_chemical_shifts
   _Assigned_chem_shift_list.Entry_ID                      15380
   _Assigned_chem_shift_list.ID                            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    $chemical_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 N(CA)CX'          1   $formulation_D   .   15380   1
      2   '2D N(CO)CX'          1   $formulation_D   .   15380   1
      3   '3D NCACX'            1   $formulation_D   .   15380   1
      4   '3D NCOCX'            1   $formulation_D   .   15380   1
      5   '2D CC DARR mixing'   1   $formulation_D   .   15380   1
      6   '2D CC SPC5 mixing'   1   $formulation_D   .   15380   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

      1   $SPARKY    .   .   15380   1
      2   $NMRPipe   .   .   15380   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    MET   C     C   13   171.38   0.06   .   1   .   .   .   .   1    M   C     .   15380   1
      2     .   1   1   1    1    MET   CA    C   13   54.27    0.07   .   1   .   .   .   .   1    M   CA    .   15380   1
      3     .   1   1   1    1    MET   CB    C   13   32.45    0.07   .   1   .   .   .   .   1    M   CB    .   15380   1
      4     .   1   1   1    1    MET   CE    C   13   15.86    0.02   .   1   .   .   .   .   1    M   CE    .   15380   1
      5     .   1   1   1    1    MET   CG    C   13   30.17    0.09   .   1   .   .   .   .   1    M   CG    .   15380   1
      6     .   1   1   1    1    MET   N     N   15   40.04    0.06   .   1   .   .   .   .   1    M   N     .   15380   1
      7     .   1   1   2    2    GLN   C     C   13   174.95   0.03   .   1   .   .   .   .   2    Q   C     .   15380   1
      8     .   1   1   2    2    GLN   CA    C   13   55.80    0.05   .   1   .   .   .   .   2    Q   CA    .   15380   1
      9     .   1   1   2    2    GLN   CB    C   13   30.43    0.05   .   1   .   .   .   .   2    Q   CB    .   15380   1
      10    .   1   1   2    2    GLN   CD    C   13   180.29   0.05   .   1   .   .   .   .   2    Q   CD    .   15380   1
      11    .   1   1   2    2    GLN   CG    C   13   35.29    0.07   .   1   .   .   .   .   2    Q   CG    .   15380   1
      12    .   1   1   2    2    GLN   N     N   15   125.29   0.07   .   1   .   .   .   .   2    Q   N     .   15380   1
      13    .   1   1   2    2    GLN   NE2   N   15   113.27   0.01   .   1   .   .   .   .   2    Q   NE2   .   15380   1
      14    .   1   1   3    3    TYR   C     C   13   174.90   0.06   .   1   .   .   .   .   3    Y   C     .   15380   1
      15    .   1   1   3    3    TYR   CA    C   13   56.89    0.11   .   1   .   .   .   .   3    Y   CA    .   15380   1
      16    .   1   1   3    3    TYR   CB    C   13   43.46    0.10   .   1   .   .   .   .   3    Y   CB    .   15380   1
      17    .   1   1   3    3    TYR   CZ    C   13   158.03   0.13   .   1   .   .   .   .   3    Y   CZ    .   15380   1
      18    .   1   1   3    3    TYR   N     N   15   123.23   0.04   .   1   .   .   .   .   3    Y   N     .   15380   1
      19    .   1   1   4    4    LYS   C     C   13   173.23   0.05   .   1   .   .   .   .   4    K   C     .   15380   1
      20    .   1   1   4    4    LYS   CA    C   13   54.81    0.05   .   1   .   .   .   .   4    K   CA    .   15380   1
      21    .   1   1   4    4    LYS   CB    C   13   36.24    0.04   .   1   .   .   .   .   4    K   CB    .   15380   1
      22    .   1   1   4    4    LYS   CD    C   13   28.96    0.05   .   1   .   .   .   .   4    K   CD    .   15380   1
      23    .   1   1   4    4    LYS   CE    C   13   42.14    0.05   .   1   .   .   .   .   4    K   CE    .   15380   1
      24    .   1   1   4    4    LYS   CG    C   13   25.46    0.17   .   1   .   .   .   .   4    K   CG    .   15380   1
      25    .   1   1   4    4    LYS   N     N   15   122.78   0.10   .   1   .   .   .   .   4    K   N     .   15380   1
      26    .   1   1   4    4    LYS   NZ    N   15   33.19    0.04   .   1   .   .   .   .   4    K   NZ    .   15380   1
      27    .   1   1   5    5    LEU   C     C   13   174.78   0.05   .   1   .   .   .   .   5    L   C     .   15380   1
      28    .   1   1   5    5    LEU   CA    C   13   52.91    0.04   .   1   .   .   .   .   5    L   CA    .   15380   1
      29    .   1   1   5    5    LEU   CB    C   13   42.46    0.02   .   1   .   .   .   .   5    L   CB    .   15380   1
      30    .   1   1   5    5    LEU   CD1   C   13   25.05    0.06   .   2   .   .   .   .   5    L   CD1   .   15380   1
      31    .   1   1   5    5    LEU   CD2   C   13   25.71    0.05   .   2   .   .   .   .   5    L   CD2   .   15380   1
      32    .   1   1   5    5    LEU   CG    C   13   27.33    0.02   .   1   .   .   .   .   5    L   CG    .   15380   1
      33    .   1   1   5    5    LEU   N     N   15   127.03   0.07   .   1   .   .   .   .   5    L   N     .   15380   1
      34    .   1   1   6    6    ILE   C     C   13   175.24   0.05   .   1   .   .   .   .   6    I   C     .   15380   1
      35    .   1   1   6    6    ILE   CA    C   13   59.93    0.04   .   1   .   .   .   .   6    I   CA    .   15380   1
      36    .   1   1   6    6    ILE   CB    C   13   37.81    0.04   .   1   .   .   .   .   6    I   CB    .   15380   1
      37    .   1   1   6    6    ILE   CD1   C   13   12.72    0.04   .   1   .   .   .   .   6    I   CD1   .   15380   1
      38    .   1   1   6    6    ILE   CG1   C   13   27.41    0.04   .   1   .   .   .   .   6    I   CG1   .   15380   1
      39    .   1   1   6    6    ILE   CG2   C   13   17.57    0.04   .   1   .   .   .   .   6    I   CG2   .   15380   1
      40    .   1   1   6    6    ILE   N     N   15   126.23   0.03   .   1   .   .   .   .   6    I   N     .   15380   1
      41    .   1   1   7    7    LEU   C     C   13   175.13   0.06   .   1   .   .   .   .   7    L   C     .   15380   1
      42    .   1   1   7    7    LEU   CA    C   13   54.62    0.05   .   1   .   .   .   .   7    L   CA    .   15380   1
      43    .   1   1   7    7    LEU   CB    C   13   42.92    0.02   .   1   .   .   .   .   7    L   CB    .   15380   1
      44    .   1   1   7    7    LEU   CD1   C   13   26.14    0.10   .   2   .   .   .   .   7    L   CD1   .   15380   1
      45    .   1   1   7    7    LEU   CD2   C   13   25.08    0.03   .   2   .   .   .   .   7    L   CD2   .   15380   1
      46    .   1   1   7    7    LEU   CG    C   13   27.07    0.06   .   1   .   .   .   .   7    L   CG    .   15380   1
      47    .   1   1   7    7    LEU   N     N   15   127.06   0.05   .   1   .   .   .   .   7    L   N     .   15380   1
      48    .   1   1   8    8    ASN   C     C   13   176.37   0.06   .   1   .   .   .   .   8    N   C     .   15380   1
      49    .   1   1   8    8    ASN   CA    C   13   50.70    0.04   .   1   .   .   .   .   8    N   CA    .   15380   1
      50    .   1   1   8    8    ASN   CB    C   13   38.29    0.04   .   1   .   .   .   .   8    N   CB    .   15380   1
      51    .   1   1   8    8    ASN   CG    C   13   176.51   0.07   .   1   .   .   .   .   8    N   CG    .   15380   1
      52    .   1   1   8    8    ASN   N     N   15   125.14   0.04   .   1   .   .   .   .   8    N   N     .   15380   1
      53    .   1   1   8    8    ASN   ND2   N   15   110.70   0.01   .   1   .   .   .   .   8    N   ND2   .   15380   1
      54    .   1   1   9    9    GLY   C     C   13   173.14   0.05   .   1   .   .   .   .   9    G   C     .   15380   1
      55    .   1   1   9    9    GLY   CA    C   13   44.60    0.07   .   1   .   .   .   .   9    G   CA    .   15380   1
      56    .   1   1   9    9    GLY   N     N   15   109.59   0.01   .   1   .   .   .   .   9    G   N     .   15380   1
      57    .   1   1   10   10   LYS   C     C   13   179.12   0.06   .   1   .   .   .   .   10   K   C     .   15380   1
      58    .   1   1   10   10   LYS   CA    C   13   59.23    0.06   .   1   .   .   .   .   10   K   CA    .   15380   1
      59    .   1   1   10   10   LYS   CB    C   13   32.86    0.10   .   1   .   .   .   .   10   K   CB    .   15380   1
      60    .   1   1   10   10   LYS   CD    C   13   29.22    0.07   .   1   .   .   .   .   10   K   CD    .   15380   1
      61    .   1   1   10   10   LYS   CE    C   13   42.21    0.02   .   1   .   .   .   .   10   K   CE    .   15380   1
      62    .   1   1   10   10   LYS   CG    C   13   25.71    0.05   .   1   .   .   .   .   10   K   CG    .   15380   1
      63    .   1   1   10   10   LYS   N     N   15   121.04   0.02   .   1   .   .   .   .   10   K   N     .   15380   1
      64    .   1   1   10   10   LYS   NZ    N   15   33.50    0.09   .   1   .   .   .   .   10   K   NZ    .   15380   1
      65    .   1   1   11   11   THR   C     C   13   173.34   0.07   .   1   .   .   .   .   11   T   C     .   15380   1
      66    .   1   1   11   11   THR   CA    C   13   61.89    0.04   .   1   .   .   .   .   11   T   CA    .   15380   1
      67    .   1   1   11   11   THR   CB    C   13   69.39    0.04   .   1   .   .   .   .   11   T   CB    .   15380   1
      68    .   1   1   11   11   THR   CG2   C   13   22.48    0.07   .   1   .   .   .   .   11   T   CG2   .   15380   1
      69    .   1   1   11   11   THR   N     N   15   106.34   0.02   .   1   .   .   .   .   11   T   N     .   15380   1
      70    .   1   1   12   12   LEU   C     C   13   173.84   0.07   .   1   .   .   .   .   12   L   C     .   15380   1
      71    .   1   1   12   12   LEU   CA    C   13   54.39    0.04   .   1   .   .   .   .   12   L   CA    .   15380   1
      72    .   1   1   12   12   LEU   CB    C   13   43.04    0.05   .   1   .   .   .   .   12   L   CB    .   15380   1
      73    .   1   1   12   12   LEU   CD1   C   13   26.02    0.02   .   2   .   .   .   .   12   L   CD1   .   15380   1
      74    .   1   1   12   12   LEU   CD2   C   13   22.97    0.03   .   2   .   .   .   .   12   L   CD2   .   15380   1
      75    .   1   1   12   12   LEU   CG    C   13   27.86    0.03   .   1   .   .   .   .   12   L   CG    .   15380   1
      76    .   1   1   12   12   LEU   N     N   15   127.84   0.06   .   1   .   .   .   .   12   L   N     .   15380   1
      77    .   1   1   13   13   LYS   C     C   13   175.72   0.03   .   1   .   .   .   .   13   K   C     .   15380   1
      78    .   1   1   13   13   LYS   CA    C   13   53.35    0.04   .   1   .   .   .   .   13   K   CA    .   15380   1
      79    .   1   1   13   13   LYS   CB    C   13   38.92    0.04   .   1   .   .   .   .   13   K   CB    .   15380   1
      80    .   1   1   13   13   LYS   CD    C   13   29.76    0.04   .   1   .   .   .   .   13   K   CD    .   15380   1
      81    .   1   1   13   13   LYS   CE    C   13   43.02    0.07   .   1   .   .   .   .   13   K   CE    .   15380   1
      82    .   1   1   13   13   LYS   CG    C   13   26.08    0.02   .   1   .   .   .   .   13   K   CG    .   15380   1
      83    .   1   1   13   13   LYS   N     N   15   123.30   0.04   .   1   .   .   .   .   13   K   N     .   15380   1
      84    .   1   1   13   13   LYS   NZ    N   15   31.52    0.03   .   1   .   .   .   .   13   K   NZ    .   15380   1
      85    .   1   1   14   14   GLY   C     C   13   171.35   0.05   .   1   .   .   .   .   14   G   C     .   15380   1
      86    .   1   1   14   14   GLY   CA    C   13   44.93    0.03   .   1   .   .   .   .   14   G   CA    .   15380   1
      87    .   1   1   14   14   GLY   N     N   15   105.56   0.02   .   1   .   .   .   .   14   G   N     .   15380   1
      88    .   1   1   15   15   GLU   C     C   13   174.15   0.06   .   1   .   .   .   .   15   E   C     .   15380   1
      89    .   1   1   15   15   GLU   CA    C   13   53.87    0.02   .   1   .   .   .   .   15   E   CA    .   15380   1
      90    .   1   1   15   15   GLU   CB    C   13   34.25    0.08   .   1   .   .   .   .   15   E   CB    .   15380   1
      91    .   1   1   15   15   GLU   CD    C   13   181.96   0.06   .   1   .   .   .   .   15   E   CD    .   15380   1
      92    .   1   1   15   15   GLU   CG    C   13   35.46    0.02   .   1   .   .   .   .   15   E   CG    .   15380   1
      93    .   1   1   15   15   GLU   N     N   15   120.98   0.04   .   1   .   .   .   .   15   E   N     .   15380   1
      94    .   1   1   16   16   THR   C     C   13   171.98   0.03   .   1   .   .   .   .   16   T   C     .   15380   1
      95    .   1   1   16   16   THR   CA    C   13   60.05    0.05   .   1   .   .   .   .   16   T   CA    .   15380   1
      96    .   1   1   16   16   THR   CB    C   13   70.40    0.06   .   1   .   .   .   .   16   T   CB    .   15380   1
      97    .   1   1   16   16   THR   CG2   C   13   20.04    0.04   .   1   .   .   .   .   16   T   CG2   .   15380   1
      98    .   1   1   16   16   THR   N     N   15   115.07   0.05   .   1   .   .   .   .   16   T   N     .   15380   1
      99    .   1   1   17   17   THR   C     C   13   174.30   0.02   .   1   .   .   .   .   17   T   C     .   15380   1
      100   .   1   1   17   17   THR   CA    C   13   60.27    0.04   .   1   .   .   .   .   17   T   CA    .   15380   1
      101   .   1   1   17   17   THR   CB    C   13   72.61    0.04   .   1   .   .   .   .   17   T   CB    .   15380   1
      102   .   1   1   17   17   THR   CG2   C   13   21.79    0.03   .   1   .   .   .   .   17   T   CG2   .   15380   1
      103   .   1   1   17   17   THR   N     N   15   116.03   0.01   .   1   .   .   .   .   17   T   N     .   15380   1
      104   .   1   1   18   18   THR   C     C   13   171.20   0.05   .   1   .   .   .   .   18   T   C     .   15380   1
      105   .   1   1   18   18   THR   CA    C   13   61.30    0.05   .   1   .   .   .   .   18   T   CA    .   15380   1
      106   .   1   1   18   18   THR   CB    C   13   70.85    0.04   .   1   .   .   .   .   18   T   CB    .   15380   1
      107   .   1   1   18   18   THR   CG2   C   13   18.86    0.05   .   1   .   .   .   .   18   T   CG2   .   15380   1
      108   .   1   1   18   18   THR   N     N   15   116.10   0.03   .   1   .   .   .   .   18   T   N     .   15380   1
      109   .   1   1   19   19   GLU   C     C   13   175.83   0.05   .   1   .   .   .   .   19   E   C     .   15380   1
      110   .   1   1   19   19   GLU   CA    C   13   54.28    0.09   .   1   .   .   .   .   19   E   CA    .   15380   1
      111   .   1   1   19   19   GLU   CB    C   13   30.80    0.10   .   1   .   .   .   .   19   E   CB    .   15380   1
      112   .   1   1   19   19   GLU   CD    C   13   182.32   0.04   .   1   .   .   .   .   19   E   CD    .   15380   1
      113   .   1   1   19   19   GLU   CG    C   13   35.92    0.09   .   1   .   .   .   .   19   E   CG    .   15380   1
      114   .   1   1   19   19   GLU   N     N   15   125.50   0.03   .   1   .   .   .   .   19   E   N     .   15380   1
      115   .   1   1   20   20   ALA   C     C   13   177.71   0.06   .   1   .   .   .   .   20   A   C     .   15380   1
      116   .   1   1   20   20   ALA   CA    C   13   50.67    0.04   .   1   .   .   .   .   20   A   CA    .   15380   1
      117   .   1   1   20   20   ALA   CB    C   13   23.64    0.02   .   1   .   .   .   .   20   A   CB    .   15380   1
      118   .   1   1   20   20   ALA   N     N   15   125.68   0.05   .   1   .   .   .   .   20   A   N     .   15380   1
      119   .   1   1   21   21   VAL   C     C   13   174.92   0.05   .   1   .   .   .   .   21   V   C     .   15380   1
      120   .   1   1   21   21   VAL   CA    C   13   63.51    0.04   .   1   .   .   .   .   21   V   CA    .   15380   1
      121   .   1   1   21   21   VAL   CB    C   13   31.91    0.10   .   1   .   .   .   .   21   V   CB    .   15380   1
      122   .   1   1   21   21   VAL   CG1   C   13   21.01    0.03   .   2   .   .   .   .   21   V   CG1   .   15380   1
      123   .   1   1   21   21   VAL   CG2   C   13   20.70    0.07   .   2   .   .   .   .   21   V   CG2   .   15380   1
      124   .   1   1   21   21   VAL   N     N   15   116.40   0.04   .   1   .   .   .   .   21   V   N     .   15380   1
      125   .   1   1   22   22   ASP   C     C   13   175.03   0.04   .   1   .   .   .   .   22   D   C     .   15380   1
      126   .   1   1   22   22   ASP   CA    C   13   52.48    0.02   .   1   .   .   .   .   22   D   CA    .   15380   1
      127   .   1   1   22   22   ASP   CB    C   13   42.34    0.03   .   1   .   .   .   .   22   D   CB    .   15380   1
      128   .   1   1   22   22   ASP   CG    C   13   179.77   0.07   .   1   .   .   .   .   22   D   CG    .   15380   1
      129   .   1   1   22   22   ASP   N     N   15   115.45   0.03   .   1   .   .   .   .   22   D   N     .   15380   1
      130   .   1   1   23   23   ALA   C     C   13   179.56   0.02   .   1   .   .   .   .   23   A   C     .   15380   1
      131   .   1   1   23   23   ALA   CA    C   13   54.42    0.08   .   1   .   .   .   .   23   A   CA    .   15380   1
      132   .   1   1   23   23   ALA   CB    C   13   18.24    0.04   .   1   .   .   .   .   23   A   CB    .   15380   1
      133   .   1   1   23   23   ALA   N     N   15   122.43   0.08   .   1   .   .   .   .   23   A   N     .   15380   1
      134   .   1   1   24   24   ALA   C     C   13   181.40   0.05   .   1   .   .   .   .   24   A   C     .   15380   1
      135   .   1   1   24   24   ALA   CA    C   13   54.51    0.04   .   1   .   .   .   .   24   A   CA    .   15380   1
      136   .   1   1   24   24   ALA   CB    C   13   18.23    0.02   .   1   .   .   .   .   24   A   CB    .   15380   1
      137   .   1   1   24   24   ALA   N     N   15   120.77   0.04   .   1   .   .   .   .   24   A   N     .   15380   1
      138   .   1   1   25   25   THR   C     C   13   175.86   0.03   .   1   .   .   .   .   25   T   C     .   15380   1
      139   .   1   1   25   25   THR   CA    C   13   67.43    0.09   .   1   .   .   .   .   25   T   CA    .   15380   1
      140   .   1   1   25   25   THR   CB    C   13   67.80    0.04   .   1   .   .   .   .   25   T   CB    .   15380   1
      141   .   1   1   25   25   THR   CG2   C   13   21.40    0.02   .   1   .   .   .   .   25   T   CG2   .   15380   1
      142   .   1   1   25   25   THR   N     N   15   117.40   0.07   .   1   .   .   .   .   25   T   N     .   15380   1
      143   .   1   1   26   26   ALA   C     C   13   177.23   0.04   .   1   .   .   .   .   26   A   C     .   15380   1
      144   .   1   1   26   26   ALA   CA    C   13   54.97    0.04   .   1   .   .   .   .   26   A   CA    .   15380   1
      145   .   1   1   26   26   ALA   CB    C   13   17.48    0.02   .   1   .   .   .   .   26   A   CB    .   15380   1
      146   .   1   1   26   26   ALA   N     N   15   123.77   0.07   .   1   .   .   .   .   26   A   N     .   15380   1
      147   .   1   1   27   27   GLU   C     C   13   177.75   0.03   .   1   .   .   .   .   27   E   C     .   15380   1
      148   .   1   1   27   27   GLU   CA    C   13   59.10    0.05   .   1   .   .   .   .   27   E   CA    .   15380   1
      149   .   1   1   27   27   GLU   CB    C   13   28.99    0.05   .   1   .   .   .   .   27   E   CB    .   15380   1
      150   .   1   1   27   27   GLU   CD    C   13   181.49   0.02   .   1   .   .   .   .   27   E   CD    .   15380   1
      151   .   1   1   27   27   GLU   CG    C   13   35.48    0.04   .   1   .   .   .   .   27   E   CG    .   15380   1
      152   .   1   1   27   27   GLU   N     N   15   116.31   0.04   .   1   .   .   .   .   27   E   N     .   15380   1
      153   .   1   1   28   28   LYS   C     C   13   179.09   0.08   .   1   .   .   .   .   28   K   C     .   15380   1
      154   .   1   1   28   28   LYS   CA    C   13   60.19    0.04   .   1   .   .   .   .   28   K   CA    .   15380   1
      155   .   1   1   28   28   LYS   CB    C   13   32.77    0.06   .   1   .   .   .   .   28   K   CB    .   15380   1
      156   .   1   1   28   28   LYS   CD    C   13   30.08    0.06   .   1   .   .   .   .   28   K   CD    .   15380   1
      157   .   1   1   28   28   LYS   CE    C   13   42.31    0.06   .   1   .   .   .   .   28   K   CE    .   15380   1
      158   .   1   1   28   28   LYS   CG    C   13   26.37    0.07   .   1   .   .   .   .   28   K   CG    .   15380   1
      159   .   1   1   28   28   LYS   N     N   15   117.38   0.03   .   1   .   .   .   .   28   K   N     .   15380   1
      160   .   1   1   28   28   LYS   NZ    N   15   32.92    0.06   .   1   .   .   .   .   28   K   NZ    .   15380   1
      161   .   1   1   29   29   VAL   C     C   13   178.88   0.06   .   1   .   .   .   .   29   V   C     .   15380   1
      162   .   1   1   29   29   VAL   CA    C   13   66.26    0.04   .   1   .   .   .   .   29   V   CA    .   15380   1
      163   .   1   1   29   29   VAL   CB    C   13   31.89    0.03   .   1   .   .   .   .   29   V   CB    .   15380   1
      164   .   1   1   29   29   VAL   CG1   C   13   22.21    0.05   .   2   .   .   .   .   29   V   CG1   .   15380   1
      165   .   1   1   29   29   VAL   CG2   C   13   20.99    0.03   .   2   .   .   .   .   29   V   CG2   .   15380   1
      166   .   1   1   29   29   VAL   N     N   15   119.23   0.04   .   1   .   .   .   .   29   V   N     .   15380   1
      167   .   1   1   30   30   PHE   C     C   13   179.23   0.02   .   1   .   .   .   .   30   F   C     .   15380   1
      168   .   1   1   30   30   PHE   CA    C   13   57.42    0.08   .   1   .   .   .   .   30   F   CA    .   15380   1
      169   .   1   1   30   30   PHE   CB    C   13   37.39    0.04   .   1   .   .   .   .   30   F   CB    .   15380   1
      170   .   1   1   30   30   PHE   N     N   15   118.80   0.06   .   1   .   .   .   .   30   F   N     .   15380   1
      171   .   1   1   31   31   LYS   C     C   13   179.59   0.05   .   1   .   .   .   .   31   K   C     .   15380   1
      172   .   1   1   31   31   LYS   CA    C   13   60.11    0.03   .   1   .   .   .   .   31   K   CA    .   15380   1
      173   .   1   1   31   31   LYS   CB    C   13   31.60    0.05   .   1   .   .   .   .   31   K   CB    .   15380   1
      174   .   1   1   31   31   LYS   CD    C   13   29.40    0.07   .   1   .   .   .   .   31   K   CD    .   15380   1
      175   .   1   1   31   31   LYS   CE    C   13   41.18    0.07   .   1   .   .   .   .   31   K   CE    .   15380   1
      176   .   1   1   31   31   LYS   CG    C   13   27.31    0.10   .   1   .   .   .   .   31   K   CG    .   15380   1
      177   .   1   1   31   31   LYS   N     N   15   120.59   0.07   .   1   .   .   .   .   31   K   N     .   15380   1
      178   .   1   1   31   31   LYS   NZ    N   15   32.21    0.04   .   1   .   .   .   .   31   K   NZ    .   15380   1
      179   .   1   1   32   32   GLN   C     C   13   177.52   0.05   .   1   .   .   .   .   32   Q   C     .   15380   1
      180   .   1   1   32   32   GLN   CA    C   13   58.82    0.05   .   1   .   .   .   .   32   Q   CA    .   15380   1
      181   .   1   1   32   32   GLN   CB    C   13   28.89    0.04   .   1   .   .   .   .   32   Q   CB    .   15380   1
      182   .   1   1   32   32   GLN   CD    C   13   179.86   0.06   .   1   .   .   .   .   32   Q   CD    .   15380   1
      183   .   1   1   32   32   GLN   CG    C   13   34.12    0.03   .   1   .   .   .   .   32   Q   CG    .   15380   1
      184   .   1   1   32   32   GLN   N     N   15   121.29   0.04   .   1   .   .   .   .   32   Q   N     .   15380   1
      185   .   1   1   32   32   GLN   NE2   N   15   115.71   0.02   .   1   .   .   .   .   32   Q   NE2   .   15380   1
      186   .   1   1   33   33   TYR   C     C   13   178.68   0.06   .   1   .   .   .   .   33   Y   C     .   15380   1
      187   .   1   1   33   33   TYR   CA    C   13   61.54    0.05   .   1   .   .   .   .   33   Y   CA    .   15380   1
      188   .   1   1   33   33   TYR   CB    C   13   36.87    0.10   .   1   .   .   .   .   33   Y   CB    .   15380   1
      189   .   1   1   33   33   TYR   CZ    C   13   159.52   0.02   .   1   .   .   .   .   33   Y   CZ    .   15380   1
      190   .   1   1   33   33   TYR   N     N   15   120.93   0.04   .   1   .   .   .   .   33   Y   N     .   15380   1
      191   .   1   1   34   34   ALA   C     C   13   179.55   0.05   .   1   .   .   .   .   34   A   C     .   15380   1
      192   .   1   1   34   34   ALA   CA    C   13   56.05    0.02   .   1   .   .   .   .   34   A   CA    .   15380   1
      193   .   1   1   34   34   ALA   CB    C   13   18.04    0.01   .   1   .   .   .   .   34   A   CB    .   15380   1
      194   .   1   1   34   34   ALA   N     N   15   122.67   0.04   .   1   .   .   .   .   34   A   N     .   15380   1
      195   .   1   1   35   35   ASN   C     C   13   179.53   0.04   .   1   .   .   .   .   35   N   C     .   15380   1
      196   .   1   1   35   35   ASN   CA    C   13   57.06    0.06   .   1   .   .   .   .   35   N   CA    .   15380   1
      197   .   1   1   35   35   ASN   CB    C   13   39.32    0.06   .   1   .   .   .   .   35   N   CB    .   15380   1
      198   .   1   1   35   35   ASN   CG    C   13   175.96   0.04   .   1   .   .   .   .   35   N   CG    .   15380   1
      199   .   1   1   35   35   ASN   N     N   15   118.14   0.04   .   1   .   .   .   .   35   N   N     .   15380   1
      200   .   1   1   35   35   ASN   ND2   N   15   113.28   0.03   .   1   .   .   .   .   35   N   ND2   .   15380   1
      201   .   1   1   36   36   ASP   C     C   13   176.17   0.02   .   1   .   .   .   .   36   D   C     .   15380   1
      202   .   1   1   36   36   ASP   CA    C   13   55.90    0.03   .   1   .   .   .   .   36   D   CA    .   15380   1
      203   .   1   1   36   36   ASP   CB    C   13   38.26    0.07   .   1   .   .   .   .   36   D   CB    .   15380   1
      204   .   1   1   36   36   ASP   CG    C   13   177.66   0.08   .   1   .   .   .   .   36   D   CG    .   15380   1
      205   .   1   1   36   36   ASP   N     N   15   121.15   0.06   .   1   .   .   .   .   36   D   N     .   15380   1
      206   .   1   1   37   37   ASN   C     C   13   174.24   0.05   .   1   .   .   .   .   37   N   C     .   15380   1
      207   .   1   1   37   37   ASN   CA    C   13   53.52    0.03   .   1   .   .   .   .   37   N   CA    .   15380   1
      208   .   1   1   37   37   ASN   CB    C   13   40.29    0.06   .   1   .   .   .   .   37   N   CB    .   15380   1
      209   .   1   1   37   37   ASN   CG    C   13   176.79   0.06   .   1   .   .   .   .   37   N   CG    .   15380   1
      210   .   1   1   37   37   ASN   N     N   15   115.05   0.06   .   1   .   .   .   .   37   N   N     .   15380   1
      211   .   1   1   37   37   ASN   ND2   N   15   114.48   0.02   .   1   .   .   .   .   37   N   ND2   .   15380   1
      212   .   1   1   38   38   GLY   C     C   13   174.00   0.02   .   1   .   .   .   .   38   G   C     .   15380   1
      213   .   1   1   38   38   GLY   CA    C   13   46.85    0.02   .   1   .   .   .   .   38   G   CA    .   15380   1
      214   .   1   1   38   38   GLY   N     N   15   108.44   0.03   .   1   .   .   .   .   38   G   N     .   15380   1
      215   .   1   1   39   39   VAL   C     C   13   175.14   0.07   .   1   .   .   .   .   39   V   C     .   15380   1
      216   .   1   1   39   39   VAL   CA    C   13   61.74    0.05   .   1   .   .   .   .   39   V   CA    .   15380   1
      217   .   1   1   39   39   VAL   CB    C   13   31.88    0.03   .   1   .   .   .   .   39   V   CB    .   15380   1
      218   .   1   1   39   39   VAL   CG1   C   13   21.94    0.02   .   2   .   .   .   .   39   V   CG1   .   15380   1
      219   .   1   1   39   39   VAL   CG2   C   13   21.94    0.02   .   2   .   .   .   .   39   V   CG2   .   15380   1
      220   .   1   1   39   39   VAL   N     N   15   121.77   0.04   .   1   .   .   .   .   39   V   N     .   15380   1
      221   .   1   1   40   40   ASP   C     C   13   174.92   0.06   .   1   .   .   .   .   40   D   C     .   15380   1
      222   .   1   1   40   40   ASP   CA    C   13   52.74    0.04   .   1   .   .   .   .   40   D   CA    .   15380   1
      223   .   1   1   40   40   ASP   CB    C   13   41.70    0.02   .   1   .   .   .   .   40   D   CB    .   15380   1
      224   .   1   1   40   40   ASP   CG    C   13   180.79   0.08   .   1   .   .   .   .   40   D   CG    .   15380   1
      225   .   1   1   40   40   ASP   N     N   15   131.11   0.04   .   1   .   .   .   .   40   D   N     .   15380   1
      226   .   1   1   41   41   GLY   C     C   13   172.70   0.07   .   1   .   .   .   .   41   G   C     .   15380   1
      227   .   1   1   41   41   GLY   CA    C   13   45.18    0.07   .   1   .   .   .   .   41   G   CA    .   15380   1
      228   .   1   1   41   41   GLY   N     N   15   108.23   0.01   .   1   .   .   .   .   41   G   N     .   15380   1
      229   .   1   1   42   42   GLU   C     C   13   177.82   0.05   .   1   .   .   .   .   42   E   C     .   15380   1
      230   .   1   1   42   42   GLU   CA    C   13   55.20    0.05   .   1   .   .   .   .   42   E   CA    .   15380   1
      231   .   1   1   42   42   GLU   CB    C   13   31.57    0.07   .   1   .   .   .   .   42   E   CB    .   15380   1
      232   .   1   1   42   42   GLU   CD    C   13   182.13   0.06   .   1   .   .   .   .   42   E   CD    .   15380   1
      233   .   1   1   42   42   GLU   CG    C   13   35.98    0.07   .   1   .   .   .   .   42   E   CG    .   15380   1
      234   .   1   1   42   42   GLU   N     N   15   119.21   0.03   .   1   .   .   .   .   42   E   N     .   15380   1
      235   .   1   1   43   43   TRP   C     C   13   177.37   0.09   .   1   .   .   .   .   43   W   C     .   15380   1
      236   .   1   1   43   43   TRP   CA    C   13   57.49    0.06   .   1   .   .   .   .   43   W   CA    .   15380   1
      237   .   1   1   43   43   TRP   CB    C   13   33.90    0.10   .   1   .   .   .   .   43   W   CB    .   15380   1
      238   .   1   1   43   43   TRP   CD1   C   13   127.16   0.07   .   1   .   .   .   .   43   W   CD1   .   15380   1
      239   .   1   1   43   43   TRP   CD2   C   13   130.05   0.14   .   1   .   .   .   .   43   W   CD2   .   15380   1
      240   .   1   1   43   43   TRP   CE2   C   13   138.51   0.09   .   1   .   .   .   .   43   W   CE2   .   15380   1
      241   .   1   1   43   43   TRP   CE3   C   13   119.64   0.09   .   1   .   .   .   .   43   W   CE3   .   15380   1
      242   .   1   1   43   43   TRP   CG    C   13   111.74   0.10   .   1   .   .   .   .   43   W   CG    .   15380   1
      243   .   1   1   43   43   TRP   CH2   C   13   122.95   0.22   .   1   .   .   .   .   43   W   CH2   .   15380   1
      244   .   1   1   43   43   TRP   CZ2   C   13   114.71   0.09   .   1   .   .   .   .   43   W   CZ2   .   15380   1
      245   .   1   1   43   43   TRP   CZ3   C   13   120.92   0.04   .   1   .   .   .   .   43   W   CZ3   .   15380   1
      246   .   1   1   43   43   TRP   N     N   15   125.00   0.06   .   1   .   .   .   .   43   W   N     .   15380   1
      247   .   1   1   43   43   TRP   NE1   N   15   131.39   0.05   .   1   .   .   .   .   43   W   NE1   .   15380   1
      248   .   1   1   44   44   THR   C     C   13   173.94   0.06   .   1   .   .   .   .   44   T   C     .   15380   1
      249   .   1   1   44   44   THR   CA    C   13   60.84    0.06   .   1   .   .   .   .   44   T   CA    .   15380   1
      250   .   1   1   44   44   THR   CB    C   13   73.04    0.03   .   1   .   .   .   .   44   T   CB    .   15380   1
      251   .   1   1   44   44   THR   CG2   C   13   21.00    0.05   .   1   .   .   .   .   44   T   CG2   .   15380   1
      252   .   1   1   44   44   THR   N     N   15   109.11   0.02   .   1   .   .   .   .   44   T   N     .   15380   1
      253   .   1   1   45   45   TYR   C     C   13   171.89   0.07   .   1   .   .   .   .   45   Y   C     .   15380   1
      254   .   1   1   45   45   TYR   CA    C   13   57.81    0.06   .   1   .   .   .   .   45   Y   CA    .   15380   1
      255   .   1   1   45   45   TYR   CB    C   13   43.00    0.07   .   1   .   .   .   .   45   Y   CB    .   15380   1
      256   .   1   1   45   45   TYR   CZ    C   13   157.49   0.10   .   1   .   .   .   .   45   Y   CZ    .   15380   1
      257   .   1   1   45   45   TYR   N     N   15   118.69   0.04   .   1   .   .   .   .   45   Y   N     .   15380   1
      258   .   1   1   46   46   ASP   C     C   13   176.34   0.04   .   1   .   .   .   .   46   D   C     .   15380   1
      259   .   1   1   46   46   ASP   CA    C   13   50.86    0.04   .   1   .   .   .   .   46   D   CA    .   15380   1
      260   .   1   1   46   46   ASP   CB    C   13   42.68    0.08   .   1   .   .   .   .   46   D   CB    .   15380   1
      261   .   1   1   46   46   ASP   CG    C   13   180.23   0.07   .   1   .   .   .   .   46   D   CG    .   15380   1
      262   .   1   1   46   46   ASP   N     N   15   126.38   0.04   .   1   .   .   .   .   46   D   N     .   15380   1
      263   .   1   1   47   47   ASP   C     C   13   177.36   0.06   .   1   .   .   .   .   47   D   C     .   15380   1
      264   .   1   1   47   47   ASP   CA    C   13   54.72    0.07   .   1   .   .   .   .   47   D   CA    .   15380   1
      265   .   1   1   47   47   ASP   CB    C   13   43.02    0.01   .   1   .   .   .   .   47   D   CB    .   15380   1
      266   .   1   1   47   47   ASP   CG    C   13   179.60   0.06   .   1   .   .   .   .   47   D   CG    .   15380   1
      267   .   1   1   47   47   ASP   N     N   15   123.55   0.05   .   1   .   .   .   .   47   D   N     .   15380   1
      268   .   1   1   48   48   ALA   C     C   13   179.64   0.03   .   1   .   .   .   .   48   A   C     .   15380   1
      269   .   1   1   48   48   ALA   CA    C   13   54.04    0.06   .   1   .   .   .   .   48   A   CA    .   15380   1
      270   .   1   1   48   48   ALA   CB    C   13   18.99    0.01   .   1   .   .   .   .   48   A   CB    .   15380   1
      271   .   1   1   48   48   ALA   N     N   15   119.01   0.02   .   1   .   .   .   .   48   A   N     .   15380   1
      272   .   1   1   49   49   THR   C     C   13   175.68   0.05   .   1   .   .   .   .   49   T   C     .   15380   1
      273   .   1   1   49   49   THR   CA    C   13   60.23    0.05   .   1   .   .   .   .   49   T   CA    .   15380   1
      274   .   1   1   49   49   THR   CB    C   13   69.91    0.06   .   1   .   .   .   .   49   T   CB    .   15380   1
      275   .   1   1   49   49   THR   CG2   C   13   21.57    0.04   .   1   .   .   .   .   49   T   CG2   .   15380   1
      276   .   1   1   49   49   THR   N     N   15   104.01   0.02   .   1   .   .   .   .   49   T   N     .   15380   1
      277   .   1   1   50   50   LYS   C     C   13   175.45   0.07   .   1   .   .   .   .   50   K   C     .   15380   1
      278   .   1   1   50   50   LYS   CA    C   13   55.58    0.05   .   1   .   .   .   .   50   K   CA    .   15380   1
      279   .   1   1   50   50   LYS   CB    C   13   27.99    0.06   .   1   .   .   .   .   50   K   CB    .   15380   1
      280   .   1   1   50   50   LYS   CD    C   13   28.22    0.05   .   1   .   .   .   .   50   K   CD    .   15380   1
      281   .   1   1   50   50   LYS   CE    C   13   43.38    0.06   .   1   .   .   .   .   50   K   CE    .   15380   1
      282   .   1   1   50   50   LYS   CG    C   13   24.40    0.10   .   1   .   .   .   .   50   K   CG    .   15380   1
      283   .   1   1   50   50   LYS   N     N   15   119.96   0.03   .   1   .   .   .   .   50   K   N     .   15380   1
      284   .   1   1   50   50   LYS   NZ    N   15   33.95    0.03   .   1   .   .   .   .   50   K   NZ    .   15380   1
      285   .   1   1   51   51   THR   C     C   13   174.36   0.03   .   1   .   .   .   .   51   T   C     .   15380   1
      286   .   1   1   51   51   THR   CA    C   13   62.45    0.03   .   1   .   .   .   .   51   T   CA    .   15380   1
      287   .   1   1   51   51   THR   CB    C   13   71.65    0.03   .   1   .   .   .   .   51   T   CB    .   15380   1
      288   .   1   1   51   51   THR   CG2   C   13   21.24    0.03   .   1   .   .   .   .   51   T   CG2   .   15380   1
      289   .   1   1   51   51   THR   N     N   15   112.00   0.03   .   1   .   .   .   .   51   T   N     .   15380   1
      290   .   1   1   52   52   PHE   C     C   13   175.71   0.07   .   1   .   .   .   .   52   F   C     .   15380   1
      291   .   1   1   52   52   PHE   CA    C   13   56.51    0.11   .   1   .   .   .   .   52   F   CA    .   15380   1
      292   .   1   1   52   52   PHE   CB    C   13   42.78    0.02   .   1   .   .   .   .   52   F   CB    .   15380   1
      293   .   1   1   52   52   PHE   N     N   15   130.31   0.07   .   1   .   .   .   .   52   F   N     .   15380   1
      294   .   1   1   53   53   THR   C     C   13   172.19   0.04   .   1   .   .   .   .   53   T   C     .   15380   1
      295   .   1   1   53   53   THR   CA    C   13   60.31    0.02   .   1   .   .   .   .   53   T   CA    .   15380   1
      296   .   1   1   53   53   THR   CB    C   13   71.66    0.01   .   1   .   .   .   .   53   T   CB    .   15380   1
      297   .   1   1   53   53   THR   CG2   C   13   21.03    0.08   .   1   .   .   .   .   53   T   CG2   .   15380   1
      298   .   1   1   53   53   THR   N     N   15   112.15   0.04   .   1   .   .   .   .   53   T   N     .   15380   1
      299   .   1   1   54   54   VAL   C     C   13   172.59   0.03   .   1   .   .   .   .   54   V   C     .   15380   1
      300   .   1   1   54   54   VAL   CA    C   13   58.40    0.03   .   1   .   .   .   .   54   V   CA    .   15380   1
      301   .   1   1   54   54   VAL   CB    C   13   32.67    0.05   .   1   .   .   .   .   54   V   CB    .   15380   1
      302   .   1   1   54   54   VAL   CG1   C   13   21.83    0.06   .   2   .   .   .   .   54   V   CG1   .   15380   1
      303   .   1   1   54   54   VAL   CG2   C   13   19.68    0.02   .   2   .   .   .   .   54   V   CG2   .   15380   1
      304   .   1   1   54   54   VAL   N     N   15   118.34   0.03   .   1   .   .   .   .   54   V   N     .   15380   1
      305   .   1   1   55   55   THR   C     C   13   174.18   0.06   .   1   .   .   .   .   55   T   C     .   15380   1
      306   .   1   1   55   55   THR   CA    C   13   61.25    0.05   .   1   .   .   .   .   55   T   CA    .   15380   1
      307   .   1   1   55   55   THR   CB    C   13   72.04    0.04   .   1   .   .   .   .   55   T   CB    .   15380   1
      308   .   1   1   55   55   THR   CG2   C   13   21.35    0.08   .   1   .   .   .   .   55   T   CG2   .   15380   1
      309   .   1   1   55   55   THR   N     N   15   124.11   0.04   .   1   .   .   .   .   55   T   N     .   15380   1
      310   .   1   1   56   56   GLU   C     C   13   180.55   0.06   .   1   .   .   .   .   56   E   C     .   15380   1
      311   .   1   1   56   56   GLU   CA    C   13   57.57    0.04   .   1   .   .   .   .   56   E   CA    .   15380   1
      312   .   1   1   56   56   GLU   CB    C   13   33.24    0.05   .   1   .   .   .   .   56   E   CB    .   15380   1
      313   .   1   1   56   56   GLU   CD    C   13   183.17   0.02   .   1   .   .   .   .   56   E   CD    .   15380   1
      314   .   1   1   56   56   GLU   CG    C   13   38.80    0.04   .   1   .   .   .   .   56   E   CG    .   15380   1
      315   .   1   1   56   56   GLU   N     N   15   131.06   0.03   .   1   .   .   .   .   56   E   N     .   15380   1
   stop_
save_