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                      30534
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          .
   _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             0.03
   _Assigned_chem_shift_list.Chem_shift_13C_err            0.4
   _Assigned_chem_shift_list.Chem_shift_15N_err            0.4
   _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'   .   .   .   30534   1
      2   '2D 1H-13C HSQC'   .   .   .   30534   1
      3   '2D 1H-1H NOESY'   .   .   .   30534   1
      4   '2D 1H-1H TOCSY'   .   .   .   30534   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   1    1    PCA   H      H   1    7.868     0.030   .   1   .   .   .   .   A   1    PCA   H      .   30534   1
      2     .   1   .   1   1    1    PCA   N      N   15   125.315   0.400   .   1   .   .   .   .   A   1    PCA   N      .   30534   1
      3     .   1   .   1   1    1    PCA   CA     C   13   59.399    0.400   .   1   .   .   .   .   A   1    PCA   CA     .   30534   1
      4     .   1   .   1   1    1    PCA   CB     C   13   28.183    0.400   .   1   .   .   .   .   A   1    PCA   CB     .   30534   1
      5     .   1   .   1   1    1    PCA   CG     C   13   31.808    0.400   .   1   .   .   .   .   A   1    PCA   CG     .   30534   1
      6     .   1   .   1   1    1    PCA   HA     H   1    4.168     0.030   .   1   .   .   .   .   A   1    PCA   HA     .   30534   1
      7     .   1   .   1   1    1    PCA   HB2    H   1    1.789     0.030   .   2   .   .   .   .   A   1    PCA   HB2    .   30534   1
      8     .   1   .   1   1    1    PCA   HB3    H   1    2.310     0.030   .   2   .   .   .   .   A   1    PCA   HB3    .   30534   1
      9     .   1   .   1   1    1    PCA   HG2    H   1    2.134     0.030   .   2   .   .   .   .   A   1    PCA   HG2    .   30534   1
      10    .   1   .   1   1    1    PCA   HG3    H   1    2.134     0.030   .   2   .   .   .   .   A   1    PCA   HG3    .   30534   1
      11    .   1   .   1   2    2    CYS   H      H   1    8.612     0.030   .   1   .   .   .   .   A   2    CYS   H      .   30534   1
      12    .   1   .   1   2    2    CYS   HA     H   1    5.215     0.030   .   1   .   .   .   .   A   2    CYS   HA     .   30534   1
      13    .   1   .   1   2    2    CYS   HB2    H   1    2.759     0.030   .   2   .   .   .   .   A   2    CYS   HB2    .   30534   1
      14    .   1   .   1   2    2    CYS   HB3    H   1    2.361     0.030   .   2   .   .   .   .   A   2    CYS   HB3    .   30534   1
      15    .   1   .   1   2    2    CYS   CA     C   13   55.961    0.400   .   1   .   .   .   .   A   2    CYS   CA     .   30534   1
      16    .   1   .   1   2    2    CYS   CB     C   13   46.246    0.400   .   1   .   .   .   .   A   2    CYS   CB     .   30534   1
      17    .   1   .   1   2    2    CYS   N      N   15   119.312   0.400   .   1   .   .   .   .   A   2    CYS   N      .   30534   1
      18    .   1   .   1   3    3    ARG   H      H   1    8.765     0.030   .   1   .   .   .   .   A   3    ARG   H      .   30534   1
      19    .   1   .   1   3    3    ARG   HA     H   1    4.368     0.030   .   1   .   .   .   .   A   3    ARG   HA     .   30534   1
      20    .   1   .   1   3    3    ARG   HB2    H   1    1.528     0.030   .   2   .   .   .   .   A   3    ARG   HB2    .   30534   1
      21    .   1   .   1   3    3    ARG   HB3    H   1    1.530     0.030   .   2   .   .   .   .   A   3    ARG   HB3    .   30534   1
      22    .   1   .   1   3    3    ARG   HG2    H   1    1.423     0.030   .   2   .   .   .   .   A   3    ARG   HG2    .   30534   1
      23    .   1   .   1   3    3    ARG   HG3    H   1    1.278     0.030   .   2   .   .   .   .   A   3    ARG   HG3    .   30534   1
      24    .   1   .   1   3    3    ARG   HD2    H   1    2.920     0.030   .   2   .   .   .   .   A   3    ARG   HD2    .   30534   1
      25    .   1   .   1   3    3    ARG   HD3    H   1    2.920     0.030   .   2   .   .   .   .   A   3    ARG   HD3    .   30534   1
      26    .   1   .   1   3    3    ARG   HE     H   1    6.950     0.030   .   1   .   .   .   .   A   3    ARG   HE     .   30534   1
      27    .   1   .   1   3    3    ARG   CA     C   13   54.523    0.400   .   1   .   .   .   .   A   3    ARG   CA     .   30534   1
      28    .   1   .   1   3    3    ARG   CB     C   13   33.167    0.400   .   1   .   .   .   .   A   3    ARG   CB     .   30534   1
      29    .   1   .   1   3    3    ARG   CG     C   13   26.672    0.400   .   1   .   .   .   .   A   3    ARG   CG     .   30534   1
      30    .   1   .   1   3    3    ARG   CD     C   13   43.405    0.400   .   1   .   .   .   .   A   3    ARG   CD     .   30534   1
      31    .   1   .   1   3    3    ARG   N      N   15   121.826   0.400   .   1   .   .   .   .   A   3    ARG   N      .   30534   1
      32    .   1   .   1   3    3    ARG   NE     N   15   83.945    0.400   .   1   .   .   .   .   A   3    ARG   NE     .   30534   1
      33    .   1   .   1   4    4    ARG   H      H   1    8.535     0.030   .   1   .   .   .   .   A   4    ARG   H      .   30534   1
      34    .   1   .   1   4    4    ARG   HA     H   1    4.722     0.030   .   1   .   .   .   .   A   4    ARG   HA     .   30534   1
      35    .   1   .   1   4    4    ARG   HB2    H   1    1.322     0.030   .   2   .   .   .   .   A   4    ARG   HB2    .   30534   1
      36    .   1   .   1   4    4    ARG   HB3    H   1    1.461     0.030   .   2   .   .   .   .   A   4    ARG   HB3    .   30534   1
      37    .   1   .   1   4    4    ARG   HG2    H   1    1.152     0.030   .   2   .   .   .   .   A   4    ARG   HG2    .   30534   1
      38    .   1   .   1   4    4    ARG   HG3    H   1    1.152     0.030   .   2   .   .   .   .   A   4    ARG   HG3    .   30534   1
      39    .   1   .   1   4    4    ARG   HD2    H   1    2.770     0.030   .   2   .   .   .   .   A   4    ARG   HD2    .   30534   1
      40    .   1   .   1   4    4    ARG   HD3    H   1    2.770     0.030   .   2   .   .   .   .   A   4    ARG   HD3    .   30534   1
      41    .   1   .   1   4    4    ARG   HE     H   1    6.909     0.030   .   1   .   .   .   .   A   4    ARG   HE     .   30534   1
      42    .   1   .   1   4    4    ARG   CB     C   13   31.250    0.400   .   1   .   .   .   .   A   4    ARG   CB     .   30534   1
      43    .   1   .   1   4    4    ARG   CG     C   13   27.225    0.400   .   1   .   .   .   .   A   4    ARG   CG     .   30534   1
      44    .   1   .   1   4    4    ARG   CD     C   13   43.351    0.400   .   1   .   .   .   .   A   4    ARG   CD     .   30534   1
      45    .   1   .   1   4    4    ARG   N      N   15   123.871   0.400   .   1   .   .   .   .   A   4    ARG   N      .   30534   1
      46    .   1   .   1   4    4    ARG   NE     N   15   84.254    0.400   .   1   .   .   .   .   A   4    ARG   NE     .   30534   1
      47    .   1   .   1   5    5    LEU   H      H   1    8.863     0.030   .   1   .   .   .   .   A   5    LEU   H      .   30534   1
      48    .   1   .   1   5    5    LEU   HA     H   1    4.468     0.030   .   1   .   .   .   .   A   5    LEU   HA     .   30534   1
      49    .   1   .   1   5    5    LEU   HB2    H   1    1.345     0.030   .   2   .   .   .   .   A   5    LEU   HB2    .   30534   1
      50    .   1   .   1   5    5    LEU   HB3    H   1    1.345     0.030   .   2   .   .   .   .   A   5    LEU   HB3    .   30534   1
      51    .   1   .   1   5    5    LEU   HG     H   1    1.245     0.030   .   1   .   .   .   .   A   5    LEU   HG     .   30534   1
      52    .   1   .   1   5    5    LEU   HD11   H   1    0.547     0.030   .   2   .   .   .   .   A   5    LEU   HD11   .   30534   1
      53    .   1   .   1   5    5    LEU   HD12   H   1    0.547     0.030   .   2   .   .   .   .   A   5    LEU   HD12   .   30534   1
      54    .   1   .   1   5    5    LEU   HD13   H   1    0.547     0.030   .   2   .   .   .   .   A   5    LEU   HD13   .   30534   1
      55    .   1   .   1   5    5    LEU   HD21   H   1    0.539     0.030   .   2   .   .   .   .   A   5    LEU   HD21   .   30534   1
      56    .   1   .   1   5    5    LEU   HD22   H   1    0.539     0.030   .   2   .   .   .   .   A   5    LEU   HD22   .   30534   1
      57    .   1   .   1   5    5    LEU   HD23   H   1    0.539     0.030   .   2   .   .   .   .   A   5    LEU   HD23   .   30534   1
      58    .   1   .   1   5    5    LEU   CA     C   13   53.917    0.400   .   1   .   .   .   .   A   5    LEU   CA     .   30534   1
      59    .   1   .   1   5    5    LEU   CB     C   13   44.140    0.400   .   1   .   .   .   .   A   5    LEU   CB     .   30534   1
      60    .   1   .   1   5    5    LEU   CG     C   13   27.081    0.400   .   1   .   .   .   .   A   5    LEU   CG     .   30534   1
      61    .   1   .   1   5    5    LEU   CD1    C   13   24.518    0.400   .   2   .   .   .   .   A   5    LEU   CD1    .   30534   1
      62    .   1   .   1   5    5    LEU   CD2    C   13   24.002    0.400   .   2   .   .   .   .   A   5    LEU   CD2    .   30534   1
      63    .   1   .   1   5    5    LEU   N      N   15   129.373   0.400   .   1   .   .   .   .   A   5    LEU   N      .   30534   1
      64    .   1   .   1   6    6    CYS   H      H   1    8.759     0.030   .   1   .   .   .   .   A   6    CYS   H      .   30534   1
      65    .   1   .   1   6    6    CYS   HA     H   1    5.174     0.030   .   1   .   .   .   .   A   6    CYS   HA     .   30534   1
      66    .   1   .   1   6    6    CYS   HB2    H   1    2.436     0.030   .   2   .   .   .   .   A   6    CYS   HB2    .   30534   1
      67    .   1   .   1   6    6    CYS   HB3    H   1    2.711     0.030   .   2   .   .   .   .   A   6    CYS   HB3    .   30534   1
      68    .   1   .   1   6    6    CYS   CA     C   13   55.263    0.400   .   1   .   .   .   .   A   6    CYS   CA     .   30534   1
      69    .   1   .   1   6    6    CYS   CB     C   13   47.802    0.400   .   1   .   .   .   .   A   6    CYS   CB     .   30534   1
      70    .   1   .   1   6    6    CYS   N      N   15   123.114   0.400   .   1   .   .   .   .   A   6    CYS   N      .   30534   1
      71    .   1   .   1   7    7    TYR   H      H   1    8.486     0.030   .   1   .   .   .   .   A   7    TYR   H      .   30534   1
      72    .   1   .   1   7    7    TYR   HA     H   1    4.327     0.030   .   1   .   .   .   .   A   7    TYR   HA     .   30534   1
      73    .   1   .   1   7    7    TYR   HB2    H   1    2.680     0.030   .   2   .   .   .   .   A   7    TYR   HB2    .   30534   1
      74    .   1   .   1   7    7    TYR   HB3    H   1    2.680     0.030   .   2   .   .   .   .   A   7    TYR   HB3    .   30534   1
      75    .   1   .   1   7    7    TYR   HD1    H   1    6.883     0.030   .   1   .   .   .   .   A   7    TYR   HD1    .   30534   1
      76    .   1   .   1   7    7    TYR   HD2    H   1    6.883     0.030   .   1   .   .   .   .   A   7    TYR   HD2    .   30534   1
      77    .   1   .   1   7    7    TYR   HE1    H   1    6.521     0.030   .   1   .   .   .   .   A   7    TYR   HE1    .   30534   1
      78    .   1   .   1   7    7    TYR   HE2    H   1    6.521     0.030   .   1   .   .   .   .   A   7    TYR   HE2    .   30534   1
      79    .   1   .   1   7    7    TYR   CA     C   13   57.273    0.400   .   1   .   .   .   .   A   7    TYR   CA     .   30534   1
      80    .   1   .   1   7    7    TYR   CB     C   13   39.539    0.400   .   1   .   .   .   .   A   7    TYR   CB     .   30534   1
      81    .   1   .   1   7    7    TYR   CD2    C   13   133.133   0.400   .   3   .   .   .   .   A   7    TYR   CD2    .   30534   1
      82    .   1   .   1   7    7    TYR   CE1    C   13   117.875   0.400   .   3   .   .   .   .   A   7    TYR   CE1    .   30534   1
      83    .   1   .   1   7    7    TYR   N      N   15   123.857   0.400   .   1   .   .   .   .   A   7    TYR   N      .   30534   1
      84    .   1   .   1   8    8    LYS   H      H   1    8.898     0.030   .   1   .   .   .   .   A   8    LYS   H      .   30534   1
      85    .   1   .   1   8    8    LYS   HA     H   1    3.317     0.030   .   1   .   .   .   .   A   8    LYS   HA     .   30534   1
      86    .   1   .   1   8    8    LYS   HB2    H   1    1.423     0.030   .   2   .   .   .   .   A   8    LYS   HB2    .   30534   1
      87    .   1   .   1   8    8    LYS   HG2    H   1    0.655     0.030   .   2   .   .   .   .   A   8    LYS   HG2    .   30534   1
      88    .   1   .   1   8    8    LYS   HG3    H   1    0.500     0.030   .   2   .   .   .   .   A   8    LYS   HG3    .   30534   1
      89    .   1   .   1   8    8    LYS   HD2    H   1    1.250     0.030   .   2   .   .   .   .   A   8    LYS   HD2    .   30534   1
      90    .   1   .   1   8    8    LYS   HE2    H   1    2.606     0.030   .   2   .   .   .   .   A   8    LYS   HE2    .   30534   1
      91    .   1   .   1   8    8    LYS   HE3    H   1    2.611     0.030   .   2   .   .   .   .   A   8    LYS   HE3    .   30534   1
      92    .   1   .   1   8    8    LYS   HZ1    H   1    7.283     0.030   .   1   .   .   .   .   A   8    LYS   HZ1    .   30534   1
      93    .   1   .   1   8    8    LYS   HZ2    H   1    7.283     0.030   .   1   .   .   .   .   A   8    LYS   HZ2    .   30534   1
      94    .   1   .   1   8    8    LYS   HZ3    H   1    7.283     0.030   .   1   .   .   .   .   A   8    LYS   HZ3    .   30534   1
      95    .   1   .   1   8    8    LYS   CA     C   13   57.928    0.400   .   1   .   .   .   .   A   8    LYS   CA     .   30534   1
      96    .   1   .   1   8    8    LYS   CB     C   13   29.636    0.400   .   1   .   .   .   .   A   8    LYS   CB     .   30534   1
      97    .   1   .   1   8    8    LYS   CG     C   13   24.780    0.400   .   1   .   .   .   .   A   8    LYS   CG     .   30534   1
      98    .   1   .   1   8    8    LYS   CD     C   13   29.074    0.400   .   1   .   .   .   .   A   8    LYS   CD     .   30534   1
      99    .   1   .   1   8    8    LYS   CE     C   13   41.854    0.400   .   1   .   .   .   .   A   8    LYS   CE     .   30534   1
      100   .   1   .   1   8    8    LYS   N      N   15   125.912   0.400   .   1   .   .   .   .   A   8    LYS   N      .   30534   1
      101   .   1   .   1   8    8    LYS   NZ     N   15   32.417    0.400   .   1   .   .   .   .   A   8    LYS   NZ     .   30534   1
      102   .   1   .   1   9    9    GLN   H      H   1    8.258     0.030   .   1   .   .   .   .   A   9    GLN   H      .   30534   1
      103   .   1   .   1   9    9    GLN   HA     H   1    3.674     0.030   .   1   .   .   .   .   A   9    GLN   HA     .   30534   1
      104   .   1   .   1   9    9    GLN   HB2    H   1    1.997     0.030   .   2   .   .   .   .   A   9    GLN   HB2    .   30534   1
      105   .   1   .   1   9    9    GLN   HB3    H   1    1.946     0.030   .   2   .   .   .   .   A   9    GLN   HB3    .   30534   1
      106   .   1   .   1   9    9    GLN   HG2    H   1    1.991     0.030   .   2   .   .   .   .   A   9    GLN   HG2    .   30534   1
      107   .   1   .   1   9    9    GLN   HG3    H   1    1.991     0.030   .   2   .   .   .   .   A   9    GLN   HG3    .   30534   1
      108   .   1   .   1   9    9    GLN   HE21   H   1    6.632     0.030   .   2   .   .   .   .   A   9    GLN   HE21   .   30534   1
      109   .   1   .   1   9    9    GLN   HE22   H   1    7.345     0.030   .   2   .   .   .   .   A   9    GLN   HE22   .   30534   1
      110   .   1   .   1   9    9    GLN   CA     C   13   56.977    0.400   .   1   .   .   .   .   A   9    GLN   CA     .   30534   1
      111   .   1   .   1   9    9    GLN   CB     C   13   27.267    0.400   .   1   .   .   .   .   A   9    GLN   CB     .   30534   1
      112   .   1   .   1   9    9    GLN   CG     C   13   34.393    0.400   .   1   .   .   .   .   A   9    GLN   CG     .   30534   1
      113   .   1   .   1   9    9    GLN   N      N   15   112.280   0.400   .   1   .   .   .   .   A   9    GLN   N      .   30534   1
      114   .   1   .   1   9    9    GLN   NE2    N   15   112.416   0.400   .   1   .   .   .   .   A   9    GLN   NE2    .   30534   1
      115   .   1   .   1   10   10   ARG   H      H   1    7.651     0.030   .   1   .   .   .   .   A   10   ARG   H      .   30534   1
      116   .   1   .   1   10   10   ARG   HA     H   1    4.357     0.030   .   1   .   .   .   .   A   10   ARG   HA     .   30534   1
      117   .   1   .   1   10   10   ARG   HB2    H   1    1.703     0.030   .   2   .   .   .   .   A   10   ARG   HB2    .   30534   1
      118   .   1   .   1   10   10   ARG   HB3    H   1    1.587     0.030   .   2   .   .   .   .   A   10   ARG   HB3    .   30534   1
      119   .   1   .   1   10   10   ARG   HG2    H   1    1.358     0.030   .   2   .   .   .   .   A   10   ARG   HG2    .   30534   1
      120   .   1   .   1   10   10   ARG   HG3    H   1    1.238     0.030   .   2   .   .   .   .   A   10   ARG   HG3    .   30534   1
      121   .   1   .   1   10   10   ARG   HD2    H   1    2.941     0.030   .   2   .   .   .   .   A   10   ARG   HD2    .   30534   1
      122   .   1   .   1   10   10   ARG   HD3    H   1    2.941     0.030   .   2   .   .   .   .   A   10   ARG   HD3    .   30534   1
      123   .   1   .   1   10   10   ARG   HE     H   1    6.975     0.030   .   1   .   .   .   .   A   10   ARG   HE     .   30534   1
      124   .   1   .   1   10   10   ARG   CA     C   13   55.221    0.400   .   1   .   .   .   .   A   10   ARG   CA     .   30534   1
      125   .   1   .   1   10   10   ARG   CB     C   13   31.049    0.400   .   1   .   .   .   .   A   10   ARG   CB     .   30534   1
      126   .   1   .   1   10   10   ARG   CG     C   13   27.026    0.400   .   1   .   .   .   .   A   10   ARG   CG     .   30534   1
      127   .   1   .   1   10   10   ARG   CD     C   13   43.109    0.400   .   1   .   .   .   .   A   10   ARG   CD     .   30534   1
      128   .   1   .   1   10   10   ARG   N      N   15   120.997   0.400   .   1   .   .   .   .   A   10   ARG   N      .   30534   1
      129   .   1   .   1   10   10   ARG   NE     N   15   84.219    0.400   .   1   .   .   .   .   A   10   ARG   NE     .   30534   1
      130   .   1   .   1   11   11   CYS   H      H   1    8.707     0.030   .   1   .   .   .   .   A   11   CYS   H      .   30534   1
      131   .   1   .   1   11   11   CYS   HA     H   1    5.334     0.030   .   1   .   .   .   .   A   11   CYS   HA     .   30534   1
      132   .   1   .   1   11   11   CYS   HB2    H   1    2.726     0.030   .   2   .   .   .   .   A   11   CYS   HB2    .   30534   1
      133   .   1   .   1   11   11   CYS   HB3    H   1    2.210     0.030   .   2   .   .   .   .   A   11   CYS   HB3    .   30534   1
      134   .   1   .   1   11   11   CYS   CA     C   13   55.434    0.400   .   1   .   .   .   .   A   11   CYS   CA     .   30534   1
      135   .   1   .   1   11   11   CYS   CB     C   13   47.470    0.400   .   1   .   .   .   .   A   11   CYS   CB     .   30534   1
      136   .   1   .   1   11   11   CYS   N      N   15   124.042   0.400   .   1   .   .   .   .   A   11   CYS   N      .   30534   1
      137   .   1   .   1   12   12   VAL   H      H   1    8.659     0.030   .   1   .   .   .   .   A   12   VAL   H      .   30534   1
      138   .   1   .   1   12   12   VAL   HA     H   1    4.092     0.030   .   1   .   .   .   .   A   12   VAL   HA     .   30534   1
      139   .   1   .   1   12   12   VAL   HB     H   1    1.737     0.030   .   1   .   .   .   .   A   12   VAL   HB     .   30534   1
      140   .   1   .   1   12   12   VAL   HG11   H   1    0.451     0.030   .   2   .   .   .   .   A   12   VAL   HG11   .   30534   1
      141   .   1   .   1   12   12   VAL   HG12   H   1    0.451     0.030   .   2   .   .   .   .   A   12   VAL   HG12   .   30534   1
      142   .   1   .   1   12   12   VAL   HG13   H   1    0.451     0.030   .   2   .   .   .   .   A   12   VAL   HG13   .   30534   1
      143   .   1   .   1   12   12   VAL   HG21   H   1    0.601     0.030   .   2   .   .   .   .   A   12   VAL   HG21   .   30534   1
      144   .   1   .   1   12   12   VAL   HG22   H   1    0.601     0.030   .   2   .   .   .   .   A   12   VAL   HG22   .   30534   1
      145   .   1   .   1   12   12   VAL   HG23   H   1    0.601     0.030   .   2   .   .   .   .   A   12   VAL   HG23   .   30534   1
      146   .   1   .   1   12   12   VAL   CA     C   13   60.212    0.400   .   1   .   .   .   .   A   12   VAL   CA     .   30534   1
      147   .   1   .   1   12   12   VAL   CB     C   13   35.460    0.400   .   1   .   .   .   .   A   12   VAL   CB     .   30534   1
      148   .   1   .   1   12   12   VAL   CG1    C   13   20.796    0.400   .   2   .   .   .   .   A   12   VAL   CG1    .   30534   1
      149   .   1   .   1   12   12   VAL   CG2    C   13   19.857    0.400   .   2   .   .   .   .   A   12   VAL   CG2    .   30534   1
      150   .   1   .   1   12   12   VAL   N      N   15   121.010   0.400   .   1   .   .   .   .   A   12   VAL   N      .   30534   1
      151   .   1   .   1   13   13   THR   H      H   1    8.383     0.030   .   1   .   .   .   .   A   13   THR   H      .   30534   1
      152   .   1   .   1   13   13   THR   HA     H   1    4.557     0.030   .   1   .   .   .   .   A   13   THR   HA     .   30534   1
      153   .   1   .   1   13   13   THR   HB     H   1    3.644     0.030   .   1   .   .   .   .   A   13   THR   HB     .   30534   1
      154   .   1   .   1   13   13   THR   HG21   H   1    0.810     0.030   .   1   .   .   .   .   A   13   THR   HG21   .   30534   1
      155   .   1   .   1   13   13   THR   HG22   H   1    0.810     0.030   .   1   .   .   .   .   A   13   THR   HG22   .   30534   1
      156   .   1   .   1   13   13   THR   HG23   H   1    0.810     0.030   .   1   .   .   .   .   A   13   THR   HG23   .   30534   1
      157   .   1   .   1   13   13   THR   CA     C   13   62.133    0.400   .   1   .   .   .   .   A   13   THR   CA     .   30534   1
      158   .   1   .   1   13   13   THR   CB     C   13   69.133    0.400   .   1   .   .   .   .   A   13   THR   CB     .   30534   1
      159   .   1   .   1   13   13   THR   CG2    C   13   22.446    0.400   .   1   .   .   .   .   A   13   THR   CG2    .   30534   1
      160   .   1   .   1   13   13   THR   N      N   15   120.586   0.400   .   1   .   .   .   .   A   13   THR   N      .   30534   1
      161   .   1   .   1   14   14   TYR   H      H   1    8.899     0.030   .   1   .   .   .   .   A   14   TYR   H      .   30534   1
      162   .   1   .   1   14   14   TYR   HA     H   1    4.529     0.030   .   1   .   .   .   .   A   14   TYR   HA     .   30534   1
      163   .   1   .   1   14   14   TYR   HB2    H   1    2.662     0.030   .   2   .   .   .   .   A   14   TYR   HB2    .   30534   1
      164   .   1   .   1   14   14   TYR   HB3    H   1    2.585     0.030   .   2   .   .   .   .   A   14   TYR   HB3    .   30534   1
      165   .   1   .   1   14   14   TYR   HD1    H   1    6.783     0.030   .   1   .   .   .   .   A   14   TYR   HD1    .   30534   1
      166   .   1   .   1   14   14   TYR   HD2    H   1    6.783     0.030   .   1   .   .   .   .   A   14   TYR   HD2    .   30534   1
      167   .   1   .   1   14   14   TYR   HE1    H   1    6.479     0.030   .   1   .   .   .   .   A   14   TYR   HE1    .   30534   1
      168   .   1   .   1   14   14   TYR   HE2    H   1    6.479     0.030   .   1   .   .   .   .   A   14   TYR   HE2    .   30534   1
      169   .   1   .   1   14   14   TYR   CA     C   13   56.611    0.400   .   1   .   .   .   .   A   14   TYR   CA     .   30534   1
      170   .   1   .   1   14   14   TYR   CB     C   13   40.677    0.400   .   1   .   .   .   .   A   14   TYR   CB     .   30534   1
      171   .   1   .   1   14   14   TYR   CD2    C   13   132.930   0.400   .   3   .   .   .   .   A   14   TYR   CD2    .   30534   1
      172   .   1   .   1   14   14   TYR   CE2    C   13   117.919   0.400   .   3   .   .   .   .   A   14   TYR   CE2    .   30534   1
      173   .   1   .   1   14   14   TYR   N      N   15   128.218   0.400   .   1   .   .   .   .   A   14   TYR   N      .   30534   1
      174   .   1   .   1   15   15   CYS   H      H   1    8.704     0.030   .   1   .   .   .   .   A   15   CYS   H      .   30534   1
      175   .   1   .   1   15   15   CYS   HA     H   1    4.903     0.030   .   1   .   .   .   .   A   15   CYS   HA     .   30534   1
      176   .   1   .   1   15   15   CYS   HB2    H   1    2.595     0.030   .   2   .   .   .   .   A   15   CYS   HB2    .   30534   1
      177   .   1   .   1   15   15   CYS   HB3    H   1    2.595     0.030   .   2   .   .   .   .   A   15   CYS   HB3    .   30534   1
      178   .   1   .   1   15   15   CYS   CB     C   13   45.886    0.400   .   1   .   .   .   .   A   15   CYS   CB     .   30534   1
      179   .   1   .   1   15   15   CYS   N      N   15   124.579   0.400   .   1   .   .   .   .   A   15   CYS   N      .   30534   1
      180   .   1   .   1   16   16   ARG   H      H   1    7.819     0.030   .   1   .   .   .   .   A   16   ARG   H      .   30534   1
      181   .   1   .   1   16   16   ARG   HA     H   1    3.957     0.030   .   1   .   .   .   .   A   16   ARG   HA     .   30534   1
      182   .   1   .   1   16   16   ARG   HB2    H   1    1.488     0.030   .   2   .   .   .   .   A   16   ARG   HB2    .   30534   1
      183   .   1   .   1   16   16   ARG   HG2    H   1    1.569     0.030   .   2   .   .   .   .   A   16   ARG   HG2    .   30534   1
      184   .   1   .   1   16   16   ARG   HG3    H   1    1.390     0.030   .   2   .   .   .   .   A   16   ARG   HG3    .   30534   1
      185   .   1   .   1   16   16   ARG   HD2    H   1    2.918     0.030   .   2   .   .   .   .   A   16   ARG   HD2    .   30534   1
      186   .   1   .   1   16   16   ARG   HD3    H   1    2.918     0.030   .   2   .   .   .   .   A   16   ARG   HD3    .   30534   1
      187   .   1   .   1   16   16   ARG   HE     H   1    6.930     0.030   .   1   .   .   .   .   A   16   ARG   HE     .   30534   1
      188   .   1   .   1   16   16   ARG   CA     C   13   56.083    0.400   .   1   .   .   .   .   A   16   ARG   CA     .   30534   1
      189   .   1   .   1   16   16   ARG   CB     C   13   30.715    0.400   .   1   .   .   .   .   A   16   ARG   CB     .   30534   1
      190   .   1   .   1   16   16   ARG   CG     C   13   26.765    0.400   .   1   .   .   .   .   A   16   ARG   CG     .   30534   1
      191   .   1   .   1   16   16   ARG   CD     C   13   43.156    0.400   .   1   .   .   .   .   A   16   ARG   CD     .   30534   1
      192   .   1   .   1   16   16   ARG   N      N   15   122.907   0.400   .   1   .   .   .   .   A   16   ARG   N      .   30534   1
      193   .   1   .   1   16   16   ARG   NE     N   15   84.351    0.400   .   1   .   .   .   .   A   16   ARG   NE     .   30534   1
      194   .   1   .   1   17   17   GLY   H      H   1    8.409     0.030   .   1   .   .   .   .   A   17   GLY   H      .   30534   1
      195   .   1   .   1   17   17   GLY   HA2    H   1    3.673     0.030   .   2   .   .   .   .   A   17   GLY   HA2    .   30534   1
      196   .   1   .   1   17   17   GLY   HA3    H   1    3.673     0.030   .   2   .   .   .   .   A   17   GLY   HA3    .   30534   1
      197   .   1   .   1   17   17   GLY   CA     C   13   44.760    0.400   .   1   .   .   .   .   A   17   GLY   CA     .   30534   1
      198   .   1   .   1   17   17   GLY   N      N   15   111.641   0.400   .   1   .   .   .   .   A   17   GLY   N      .   30534   1
      199   .   1   .   1   18   18   ARG   H      H   1    8.143     0.030   .   1   .   .   .   .   A   18   ARG   H      .   30534   1
      200   .   1   .   1   18   18   ARG   HA     H   1    3.994     0.030   .   1   .   .   .   .   A   18   ARG   HA     .   30534   1
      201   .   1   .   1   18   18   ARG   HB2    H   1    1.570     0.030   .   2   .   .   .   .   A   18   ARG   HB2    .   30534   1
      202   .   1   .   1   18   18   ARG   HB3    H   1    1.437     0.030   .   2   .   .   .   .   A   18   ARG   HB3    .   30534   1
      203   .   1   .   1   18   18   ARG   HG2    H   1    1.332     0.030   .   2   .   .   .   .   A   18   ARG   HG2    .   30534   1
      204   .   1   .   1   18   18   ARG   HD2    H   1    2.890     0.030   .   2   .   .   .   .   A   18   ARG   HD2    .   30534   1
      205   .   1   .   1   18   18   ARG   HD3    H   1    2.890     0.030   .   2   .   .   .   .   A   18   ARG   HD3    .   30534   1
      206   .   1   .   1   18   18   ARG   HE     H   1    6.941     0.030   .   1   .   .   .   .   A   18   ARG   HE     .   30534   1
      207   .   1   .   1   18   18   ARG   CA     C   13   55.674    0.400   .   1   .   .   .   .   A   18   ARG   CA     .   30534   1
      208   .   1   .   1   18   18   ARG   CB     C   13   30.669    0.400   .   1   .   .   .   .   A   18   ARG   CB     .   30534   1
      209   .   1   .   1   18   18   ARG   CG     C   13   26.725    0.400   .   1   .   .   .   .   A   18   ARG   CG     .   30534   1
      210   .   1   .   1   18   18   ARG   CD     C   13   43.006    0.400   .   1   .   .   .   .   A   18   ARG   CD     .   30534   1
      211   .   1   .   1   18   18   ARG   N      N   15   121.147   0.400   .   1   .   .   .   .   A   18   ARG   N      .   30534   1
      212   .   1   .   1   18   18   ARG   NE     N   15   84.116    0.400   .   1   .   .   .   .   A   18   ARG   NE     .   30534   1
      213   .   1   .   1   19   19   NH2   N      N   15   108.417   0.400   .   1   .   .   .   .   A   19   NH2   N      .   30534   1
      214   .   1   .   1   19   19   NH2   HN1    H   1    6.943     0.030   .   1   .   .   .   .   A   19   NH2   HN1    .   30534   1
      215   .   1   .   1   19   19   NH2   HN2    H   1    7.508     0.030   .   1   .   .   .   .   A   19   NH2   HN2    .   30534   1
   stop_
save_