Content for NMR-STAR saveframe, "CKR-PNG-shifts"

    save_CKR-PNG-shifts
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  CKR-PNG-shifts
   _Assigned_chem_shift_list.Entry_ID                      17032
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $CKR-PNG_conditions
   _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 1H-15N HSQC'   .   .   .   17032   1
      2   '2D 1H-13C HSQC'   .   .   .   17032   1
      3   '3D CBCA(CO)NH'    .   .   .   17032   1
      4   '3D C(CO)NH'       .   .   .   17032   1
      5   '3D HNCO'          .   .   .   17032   1
      6   '3D HNCACB'        .   .   .   17032   1
      7   '3D HBHA(CO)NH'    .   .   .   17032   1
      8   '3D H(CCO)NH'      .   .   .   17032   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   $NMRPipe   .   .   17032   1
      3   $NMRDraw   .   .   17032   1
      4   $PINE      .   .   17032   1
      5   $SPARKY    .   .   17032   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.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    ASP   HA     H   1    4.284     0.003   .   1   .   .   .   .   .   1    ASP   HA     .   17032   1
      2     .   1   1   1    1    ASP   HB2    H   1    2.743     0.000   .   2   .   .   .   .   .   1    ASP   HB2    .   17032   1
      3     .   1   1   1    1    ASP   HB3    H   1    2.799     0.000   .   2   .   .   .   .   .   1    ASP   HB3    .   17032   1
      4     .   1   1   1    1    ASP   C      C   13   172.189   0.000   .   1   .   .   .   .   .   1    ASP   C      .   17032   1
      5     .   1   1   1    1    ASP   CA     C   13   53.249    0.067   .   1   .   .   .   .   .   1    ASP   CA     .   17032   1
      6     .   1   1   1    1    ASP   CB     C   13   40.003    0.063   .   1   .   .   .   .   .   1    ASP   CB     .   17032   1
      7     .   1   1   2    2    CYS   H      H   1    8.785     0.002   .   1   .   .   .   .   .   2    CYS   H      .   17032   1
      8     .   1   1   2    2    CYS   HA     H   1    4.800     0.007   .   1   .   .   .   .   .   2    CYS   HA     .   17032   1
      9     .   1   1   2    2    CYS   HB2    H   1    2.958     0.003   .   1   .   .   .   .   .   2    CYS   HB2    .   17032   1
      10    .   1   1   2    2    CYS   HB3    H   1    3.192     0.004   .   1   .   .   .   .   .   2    CYS   HB3    .   17032   1
      11    .   1   1   2    2    CYS   C      C   13   173.095   0.000   .   1   .   .   .   .   .   2    CYS   C      .   17032   1
      12    .   1   1   2    2    CYS   CA     C   13   55.468    0.048   .   1   .   .   .   .   .   2    CYS   CA     .   17032   1
      13    .   1   1   2    2    CYS   CB     C   13   43.648    0.056   .   1   .   .   .   .   .   2    CYS   CB     .   17032   1
      14    .   1   1   2    2    CYS   N      N   15   118.797   0.011   .   1   .   .   .   .   .   2    CYS   N      .   17032   1
      15    .   1   1   3    3    LYS   H      H   1    8.717     0.002   .   1   .   .   .   .   .   3    LYS   H      .   17032   1
      16    .   1   1   3    3    LYS   HA     H   1    4.360     0.004   .   1   .   .   .   .   .   3    LYS   HA     .   17032   1
      17    .   1   1   3    3    LYS   HB2    H   1    1.688     0.000   .   2   .   .   .   .   .   3    LYS   HB2    .   17032   1
      18    .   1   1   3    3    LYS   HB3    H   1    1.757     0.000   .   2   .   .   .   .   .   3    LYS   HB3    .   17032   1
      19    .   1   1   3    3    LYS   HD2    H   1    1.647     0.006   .   2   .   .   .   .   .   3    LYS   QD     .   17032   1
      20    .   1   1   3    3    LYS   HD3    H   1    1.647     0.006   .   2   .   .   .   .   .   3    LYS   QD     .   17032   1
      21    .   1   1   3    3    LYS   HE2    H   1    2.954     0.001   .   2   .   .   .   .   .   3    LYS   QE     .   17032   1
      22    .   1   1   3    3    LYS   HE3    H   1    2.954     0.001   .   2   .   .   .   .   .   3    LYS   QE     .   17032   1
      23    .   1   1   3    3    LYS   HG2    H   1    1.365     0.002   .   2   .   .   .   .   .   3    LYS   QG     .   17032   1
      24    .   1   1   3    3    LYS   HG3    H   1    1.365     0.002   .   2   .   .   .   .   .   3    LYS   QG     .   17032   1
      25    .   1   1   3    3    LYS   C      C   13   175.269   0.000   .   1   .   .   .   .   .   3    LYS   C      .   17032   1
      26    .   1   1   3    3    LYS   CA     C   13   55.963    0.065   .   1   .   .   .   .   .   3    LYS   CA     .   17032   1
      27    .   1   1   3    3    LYS   CB     C   13   33.453    0.059   .   1   .   .   .   .   .   3    LYS   CB     .   17032   1
      28    .   1   1   3    3    LYS   CD     C   13   29.197    0.041   .   1   .   .   .   .   .   3    LYS   CD     .   17032   1
      29    .   1   1   3    3    LYS   CE     C   13   42.173    0.013   .   1   .   .   .   .   .   3    LYS   CE     .   17032   1
      30    .   1   1   3    3    LYS   CG     C   13   24.784    0.064   .   1   .   .   .   .   .   3    LYS   CG     .   17032   1
      31    .   1   1   3    3    LYS   N      N   15   124.429   0.013   .   1   .   .   .   .   .   3    LYS   N      .   17032   1
      32    .   1   1   4    4    ARG   H      H   1    8.336     0.002   .   1   .   .   .   .   .   4    ARG   H      .   17032   1
      33    .   1   1   4    4    ARG   HA     H   1    4.522     0.005   .   1   .   .   .   .   .   4    ARG   HA     .   17032   1
      34    .   1   1   4    4    ARG   HB2    H   1    1.550     0.002   .   2   .   .   .   .   .   4    ARG   HB2    .   17032   1
      35    .   1   1   4    4    ARG   HB3    H   1    1.789     0.002   .   2   .   .   .   .   .   4    ARG   HB3    .   17032   1
      36    .   1   1   4    4    ARG   HD2    H   1    3.040     0.000   .   2   .   .   .   .   .   4    ARG   HD2    .   17032   1
      37    .   1   1   4    4    ARG   HD3    H   1    3.083     0.001   .   2   .   .   .   .   .   4    ARG   HD3    .   17032   1
      38    .   1   1   4    4    ARG   HG2    H   1    1.457     0.000   .   2   .   .   .   .   .   4    ARG   HG2    .   17032   1
      39    .   1   1   4    4    ARG   HG3    H   1    1.557     0.004   .   2   .   .   .   .   .   4    ARG   HG3    .   17032   1
      40    .   1   1   4    4    ARG   C      C   13   176.063   0.000   .   1   .   .   .   .   .   4    ARG   C      .   17032   1
      41    .   1   1   4    4    ARG   CA     C   13   55.331    0.045   .   1   .   .   .   .   .   4    ARG   CA     .   17032   1
      42    .   1   1   4    4    ARG   CB     C   13   31.541    0.039   .   1   .   .   .   .   .   4    ARG   CB     .   17032   1
      43    .   1   1   4    4    ARG   CD     C   13   43.276    0.005   .   1   .   .   .   .   .   4    ARG   CD     .   17032   1
      44    .   1   1   4    4    ARG   CG     C   13   27.346    0.022   .   1   .   .   .   .   .   4    ARG   CG     .   17032   1
      45    .   1   1   4    4    ARG   N      N   15   124.257   0.007   .   1   .   .   .   .   .   4    ARG   N      .   17032   1
      46    .   1   1   5    5    LYS   H      H   1    8.549     0.002   .   1   .   .   .   .   .   5    LYS   H      .   17032   1
      47    .   1   1   5    5    LYS   HA     H   1    4.185     0.004   .   1   .   .   .   .   .   5    LYS   HA     .   17032   1
      48    .   1   1   5    5    LYS   HB2    H   1    1.512     0.005   .   2   .   .   .   .   .   5    LYS   QB     .   17032   1
      49    .   1   1   5    5    LYS   HB3    H   1    1.512     0.005   .   2   .   .   .   .   .   5    LYS   QB     .   17032   1
      50    .   1   1   5    5    LYS   HD2    H   1    1.478     0.006   .   2   .   .   .   .   .   5    LYS   QD     .   17032   1
      51    .   1   1   5    5    LYS   HD3    H   1    1.478     0.006   .   2   .   .   .   .   .   5    LYS   QD     .   17032   1
      52    .   1   1   5    5    LYS   HE2    H   1    2.708     0.001   .   2   .   .   .   .   .   5    LYS   HE2    .   17032   1
      53    .   1   1   5    5    LYS   HE3    H   1    2.750     0.001   .   2   .   .   .   .   .   5    LYS   HE3    .   17032   1
      54    .   1   1   5    5    LYS   HG2    H   1    0.935     0.000   .   2   .   .   .   .   .   5    LYS   HG2    .   17032   1
      55    .   1   1   5    5    LYS   HG3    H   1    1.115     0.003   .   2   .   .   .   .   .   5    LYS   HG3    .   17032   1
      56    .   1   1   5    5    LYS   C      C   13   174.340   0.000   .   1   .   .   .   .   .   5    LYS   C      .   17032   1
      57    .   1   1   5    5    LYS   CA     C   13   56.126    0.040   .   1   .   .   .   .   .   5    LYS   CA     .   17032   1
      58    .   1   1   5    5    LYS   CB     C   13   33.925    0.042   .   1   .   .   .   .   .   5    LYS   CB     .   17032   1
      59    .   1   1   5    5    LYS   CD     C   13   29.299    0.048   .   1   .   .   .   .   .   5    LYS   CD     .   17032   1
      60    .   1   1   5    5    LYS   CE     C   13   42.120    0.028   .   1   .   .   .   .   .   5    LYS   CE     .   17032   1
      61    .   1   1   5    5    LYS   CG     C   13   24.924    0.001   .   1   .   .   .   .   .   5    LYS   CG     .   17032   1
      62    .   1   1   5    5    LYS   N      N   15   124.791   0.011   .   1   .   .   .   .   .   5    LYS   N      .   17032   1
      63    .   1   1   6    6    VAL   H      H   1    8.172     0.002   .   1   .   .   .   .   .   6    VAL   H      .   17032   1
      64    .   1   1   6    6    VAL   HA     H   1    4.403     0.004   .   1   .   .   .   .   .   6    VAL   HA     .   17032   1
      65    .   1   1   6    6    VAL   HB     H   1    1.853     0.001   .   1   .   .   .   .   .   6    VAL   HB     .   17032   1
      66    .   1   1   6    6    VAL   HG11   H   1    0.855     0.004   .   2   .   .   .   .   .   6    VAL   HG1    .   17032   1
      67    .   1   1   6    6    VAL   HG12   H   1    0.855     0.004   .   2   .   .   .   .   .   6    VAL   HG1    .   17032   1
      68    .   1   1   6    6    VAL   HG13   H   1    0.855     0.004   .   2   .   .   .   .   .   6    VAL   HG1    .   17032   1
      69    .   1   1   6    6    VAL   HG21   H   1    0.895     0.002   .   2   .   .   .   .   .   6    VAL   HG2    .   17032   1
      70    .   1   1   6    6    VAL   HG22   H   1    0.895     0.002   .   2   .   .   .   .   .   6    VAL   HG2    .   17032   1
      71    .   1   1   6    6    VAL   HG23   H   1    0.895     0.002   .   2   .   .   .   .   .   6    VAL   HG2    .   17032   1
      72    .   1   1   6    6    VAL   C      C   13   176.580   0.000   .   1   .   .   .   .   .   6    VAL   C      .   17032   1
      73    .   1   1   6    6    VAL   CA     C   13   61.335    0.058   .   1   .   .   .   .   .   6    VAL   CA     .   17032   1
      74    .   1   1   6    6    VAL   CB     C   13   32.791    0.053   .   1   .   .   .   .   .   6    VAL   CB     .   17032   1
      75    .   1   1   6    6    VAL   CG1    C   13   21.084    0.011   .   2   .   .   .   .   .   6    VAL   CG1    .   17032   1
      76    .   1   1   6    6    VAL   CG2    C   13   20.938    0.004   .   2   .   .   .   .   .   6    VAL   CG2    .   17032   1
      77    .   1   1   6    6    VAL   N      N   15   123.935   0.013   .   1   .   .   .   .   .   6    VAL   N      .   17032   1
      78    .   1   1   7    7    TYR   H      H   1    8.923     0.002   .   1   .   .   .   .   .   7    TYR   H      .   17032   1
      79    .   1   1   7    7    TYR   HA     H   1    4.665     0.004   .   1   .   .   .   .   .   7    TYR   HA     .   17032   1
      80    .   1   1   7    7    TYR   HB2    H   1    2.915     0.002   .   2   .   .   .   .   .   7    TYR   HB2    .   17032   1
      81    .   1   1   7    7    TYR   HB3    H   1    3.171     0.000   .   2   .   .   .   .   .   7    TYR   HB3    .   17032   1
      82    .   1   1   7    7    TYR   CA     C   13   57.651    0.036   .   1   .   .   .   .   .   7    TYR   CA     .   17032   1
      83    .   1   1   7    7    TYR   CB     C   13   37.212    0.065   .   1   .   .   .   .   .   7    TYR   CB     .   17032   1
      84    .   1   1   7    7    TYR   N      N   15   127.380   0.018   .   1   .   .   .   .   .   7    TYR   N      .   17032   1
      85    .   1   1   8    8    PRO   HA     H   1    4.368     0.002   .   1   .   .   .   .   .   8    PRO   HA     .   17032   1
      86    .   1   1   8    8    PRO   HB2    H   1    1.962     0.002   .   2   .   .   .   .   .   8    PRO   HB2    .   17032   1
      87    .   1   1   8    8    PRO   HB3    H   1    2.414     0.002   .   2   .   .   .   .   .   8    PRO   HB3    .   17032   1
      88    .   1   1   8    8    PRO   HD2    H   1    3.980     0.002   .   2   .   .   .   .   .   8    PRO   QD     .   17032   1
      89    .   1   1   8    8    PRO   HD3    H   1    3.980     0.002   .   2   .   .   .   .   .   8    PRO   QD     .   17032   1
      90    .   1   1   8    8    PRO   HG2    H   1    2.080     0.000   .   2   .   .   .   .   .   8    PRO   HG2    .   17032   1
      91    .   1   1   8    8    PRO   HG3    H   1    2.169     0.011   .   2   .   .   .   .   .   8    PRO   HG3    .   17032   1
      92    .   1   1   8    8    PRO   C      C   13   176.789   0.000   .   1   .   .   .   .   .   8    PRO   C      .   17032   1
      93    .   1   1   8    8    PRO   CA     C   13   65.435    0.071   .   1   .   .   .   .   .   8    PRO   CA     .   17032   1
      94    .   1   1   8    8    PRO   CB     C   13   31.863    0.041   .   1   .   .   .   .   .   8    PRO   CB     .   17032   1
      95    .   1   1   8    8    PRO   CD     C   13   50.950    0.068   .   1   .   .   .   .   .   8    PRO   CD     .   17032   1
      96    .   1   1   8    8    PRO   CG     C   13   27.834    0.032   .   1   .   .   .   .   .   8    PRO   CG     .   17032   1
      97    .   1   1   9    9    ASN   H      H   1    7.860     0.002   .   1   .   .   .   .   .   9    ASN   H      .   17032   1
      98    .   1   1   9    9    ASN   HA     H   1    4.624     0.006   .   1   .   .   .   .   .   9    ASN   HA     .   17032   1
      99    .   1   1   9    9    ASN   HB2    H   1    2.844     0.001   .   2   .   .   .   .   .   9    ASN   HB2    .   17032   1
      100   .   1   1   9    9    ASN   HB3    H   1    3.222     0.002   .   2   .   .   .   .   .   9    ASN   HB3    .   17032   1
      101   .   1   1   9    9    ASN   HD21   H   1    6.885     0.000   .   2   .   .   .   .   .   9    ASN   HD21   .   17032   1
      102   .   1   1   9    9    ASN   HD22   H   1    7.609     0.000   .   2   .   .   .   .   .   9    ASN   HD22   .   17032   1
      103   .   1   1   9    9    ASN   C      C   13   176.403   0.000   .   1   .   .   .   .   .   9    ASN   C      .   17032   1
      104   .   1   1   9    9    ASN   CA     C   13   52.717    0.029   .   1   .   .   .   .   .   9    ASN   CA     .   17032   1
      105   .   1   1   9    9    ASN   CB     C   13   37.289    0.062   .   1   .   .   .   .   .   9    ASN   CB     .   17032   1
      106   .   1   1   9    9    ASN   N      N   15   112.854   0.015   .   1   .   .   .   .   .   9    ASN   N      .   17032   1
      107   .   1   1   9    9    ASN   ND2    N   15   111.242   0.000   .   1   .   .   .   .   .   9    ASN   ND2    .   17032   1
      108   .   1   1   10   10   GLY   H      H   1    8.566     0.011   .   1   .   .   .   .   .   10   GLY   H      .   17032   1
      109   .   1   1   10   10   GLY   HA2    H   1    3.604     0.005   .   2   .   .   .   .   .   10   GLY   HA2    .   17032   1
      110   .   1   1   10   10   GLY   HA3    H   1    4.302     0.004   .   2   .   .   .   .   .   10   GLY   HA3    .   17032   1
      111   .   1   1   10   10   GLY   C      C   13   174.439   0.000   .   1   .   .   .   .   .   10   GLY   C      .   17032   1
      112   .   1   1   10   10   GLY   CA     C   13   45.175    0.042   .   1   .   .   .   .   .   10   GLY   CA     .   17032   1
      113   .   1   1   10   10   GLY   N      N   15   109.321   0.010   .   1   .   .   .   .   .   10   GLY   N      .   17032   1
      114   .   1   1   11   11   SER   H      H   1    7.893     0.002   .   1   .   .   .   .   .   11   SER   H      .   17032   1
      115   .   1   1   11   11   SER   HA     H   1    4.424     0.004   .   1   .   .   .   .   .   11   SER   HA     .   17032   1
      116   .   1   1   11   11   SER   HB2    H   1    3.914     0.007   .   2   .   .   .   .   .   11   SER   HB2    .   17032   1
      117   .   1   1   11   11   SER   HB3    H   1    3.960     0.008   .   2   .   .   .   .   .   11   SER   HB3    .   17032   1
      118   .   1   1   11   11   SER   C      C   13   172.440   0.000   .   1   .   .   .   .   .   11   SER   C      .   17032   1
      119   .   1   1   11   11   SER   CA     C   13   58.911    0.067   .   1   .   .   .   .   .   11   SER   CA     .   17032   1
      120   .   1   1   11   11   SER   CB     C   13   64.198    0.062   .   1   .   .   .   .   .   11   SER   CB     .   17032   1
      121   .   1   1   11   11   SER   N      N   15   116.540   0.008   .   1   .   .   .   .   .   11   SER   N      .   17032   1
      122   .   1   1   12   12   ILE   H      H   1    8.344     0.002   .   1   .   .   .   .   .   12   ILE   H      .   17032   1
      123   .   1   1   12   12   ILE   HA     H   1    4.759     0.005   .   1   .   .   .   .   .   12   ILE   HA     .   17032   1
      124   .   1   1   12   12   ILE   HB     H   1    1.705     0.001   .   1   .   .   .   .   .   12   ILE   HB     .   17032   1
      125   .   1   1   12   12   ILE   HD11   H   1    0.841     0.007   .   1   .   .   .   .   .   12   ILE   HD1    .   17032   1
      126   .   1   1   12   12   ILE   HD12   H   1    0.841     0.007   .   1   .   .   .   .   .   12   ILE   HD1    .   17032   1
      127   .   1   1   12   12   ILE   HD13   H   1    0.841     0.007   .   1   .   .   .   .   .   12   ILE   HD1    .   17032   1
      128   .   1   1   12   12   ILE   HG12   H   1    1.100     0.002   .   2   .   .   .   .   .   12   ILE   HG12   .   17032   1
      129   .   1   1   12   12   ILE   HG13   H   1    1.566     0.005   .   2   .   .   .   .   .   12   ILE   HG13   .   17032   1
      130   .   1   1   12   12   ILE   HG21   H   1    0.889     0.003   .   1   .   .   .   .   .   12   ILE   HG2    .   17032   1
      131   .   1   1   12   12   ILE   HG22   H   1    0.889     0.003   .   1   .   .   .   .   .   12   ILE   HG2    .   17032   1
      132   .   1   1   12   12   ILE   HG23   H   1    0.889     0.003   .   1   .   .   .   .   .   12   ILE   HG2    .   17032   1
      133   .   1   1   12   12   ILE   C      C   13   176.771   0.000   .   1   .   .   .   .   .   12   ILE   C      .   17032   1
      134   .   1   1   12   12   ILE   CA     C   13   60.450    0.053   .   1   .   .   .   .   .   12   ILE   CA     .   17032   1
      135   .   1   1   12   12   ILE   CB     C   13   40.270    0.045   .   1   .   .   .   .   .   12   ILE   CB     .   17032   1
      136   .   1   1   12   12   ILE   CD1    C   13   13.421    0.071   .   1   .   .   .   .   .   12   ILE   CD1    .   17032   1
      137   .   1   1   12   12   ILE   CG1    C   13   27.553    0.054   .   1   .   .   .   .   .   12   ILE   CG1    .   17032   1
      138   .   1   1   12   12   ILE   CG2    C   13   17.943    0.077   .   1   .   .   .   .   .   12   ILE   CG2    .   17032   1
      139   .   1   1   12   12   ILE   N      N   15   120.129   0.017   .   1   .   .   .   .   .   12   ILE   N      .   17032   1
      140   .   1   1   13   13   SER   H      H   1    8.642     0.001   .   1   .   .   .   .   .   13   SER   H      .   17032   1
      141   .   1   1   13   13   SER   HA     H   1    4.466     0.006   .   1   .   .   .   .   .   13   SER   HA     .   17032   1
      142   .   1   1   13   13   SER   HB2    H   1    3.664     0.001   .   2   .   .   .   .   .   13   SER   HB2    .   17032   1
      143   .   1   1   13   13   SER   HB3    H   1    3.709     0.010   .   2   .   .   .   .   .   13   SER   HB3    .   17032   1
      144   .   1   1   13   13   SER   C      C   13   173.739   0.000   .   1   .   .   .   .   .   13   SER   C      .   17032   1
      145   .   1   1   13   13   SER   CA     C   13   58.146    0.054   .   1   .   .   .   .   .   13   SER   CA     .   17032   1
      146   .   1   1   13   13   SER   CB     C   13   64.801    0.093   .   1   .   .   .   .   .   13   SER   CB     .   17032   1
      147   .   1   1   13   13   SER   N      N   15   120.814   0.019   .   1   .   .   .   .   .   13   SER   N      .   17032   1
      148   .   1   1   14   14   ASP   H      H   1    8.451     0.002   .   1   .   .   .   .   .   14   ASP   H      .   17032   1
      149   .   1   1   14   14   ASP   HA     H   1    4.676     0.002   .   1   .   .   .   .   .   14   ASP   HA     .   17032   1
      150   .   1   1   14   14   ASP   HB2    H   1    2.439     0.006   .   2   .   .   .   .   .   14   ASP   HB2    .   17032   1
      151   .   1   1   14   14   ASP   HB3    H   1    2.545     0.005   .   2   .   .   .   .   .   14   ASP   HB3    .   17032   1
      152   .   1   1   14   14   ASP   C      C   13   175.561   0.000   .   1   .   .   .   .   .   14   ASP   C      .   17032   1
      153   .   1   1   14   14   ASP   CA     C   13   54.662    0.044   .   1   .   .   .   .   .   14   ASP   CA     .   17032   1
      154   .   1   1   14   14   ASP   CB     C   13   41.149    0.064   .   1   .   .   .   .   .   14   ASP   CB     .   17032   1
      155   .   1   1   14   14   ASP   N      N   15   121.502   0.016   .   1   .   .   .   .   .   14   ASP   N      .   17032   1
      156   .   1   1   15   15   TYR   H      H   1    8.085     0.002   .   1   .   .   .   .   .   15   TYR   H      .   17032   1
      157   .   1   1   15   15   TYR   HA     H   1    4.738     0.003   .   1   .   .   .   .   .   15   TYR   HA     .   17032   1
      158   .   1   1   15   15   TYR   HB2    H   1    2.908     0.000   .   2   .   .   .   .   .   15   TYR   HB2    .   17032   1
      159   .   1   1   15   15   TYR   HB3    H   1    3.028     0.003   .   2   .   .   .   .   .   15   TYR   HB3    .   17032   1
      160   .   1   1   15   15   TYR   C      C   13   174.814   0.000   .   1   .   .   .   .   .   15   TYR   C      .   17032   1
      161   .   1   1   15   15   TYR   CA     C   13   56.559    0.054   .   1   .   .   .   .   .   15   TYR   CA     .   17032   1
      162   .   1   1   15   15   TYR   CB     C   13   39.965    0.069   .   1   .   .   .   .   .   15   TYR   CB     .   17032   1
      163   .   1   1   15   15   TYR   N      N   15   119.015   0.014   .   1   .   .   .   .   .   15   TYR   N      .   17032   1
      164   .   1   1   16   16   CYS   H      H   1    8.620     0.007   .   1   .   .   .   .   .   16   CYS   H      .   17032   1
      165   .   1   1   16   16   CYS   HA     H   1    4.683     0.003   .   1   .   .   .   .   .   16   CYS   HA     .   17032   1
      166   .   1   1   16   16   CYS   HB2    H   1    2.750     0.013   .   1   .   .   .   .   .   16   CYS   HB2    .   17032   1
      167   .   1   1   16   16   CYS   HB3    H   1    2.953     0.002   .   1   .   .   .   .   .   16   CYS   HB3    .   17032   1
      168   .   1   1   16   16   CYS   C      C   13   174.006   0.000   .   1   .   .   .   .   .   16   CYS   C      .   17032   1
      169   .   1   1   16   16   CYS   CA     C   13   54.790    0.039   .   1   .   .   .   .   .   16   CYS   CA     .   17032   1
      170   .   1   1   16   16   CYS   CB     C   13   42.317    0.055   .   1   .   .   .   .   .   16   CYS   CB     .   17032   1
      171   .   1   1   16   16   CYS   N      N   15   121.469   0.026   .   1   .   .   .   .   .   16   CYS   N      .   17032   1
      172   .   1   1   17   17   GLU   H      H   1    8.559     0.001   .   1   .   .   .   .   .   17   GLU   H      .   17032   1
      173   .   1   1   17   17   GLU   HA     H   1    4.246     0.006   .   1   .   .   .   .   .   17   GLU   HA     .   17032   1
      174   .   1   1   17   17   GLU   HB2    H   1    1.793     0.001   .   2   .   .   .   .   .   17   GLU   HB2    .   17032   1
      175   .   1   1   17   17   GLU   HB3    H   1    1.942     0.001   .   2   .   .   .   .   .   17   GLU   HB3    .   17032   1
      176   .   1   1   17   17   GLU   HG2    H   1    2.178     0.003   .   2   .   .   .   .   .   17   GLU   QG     .   17032   1
      177   .   1   1   17   17   GLU   HG3    H   1    2.178     0.003   .   2   .   .   .   .   .   17   GLU   QG     .   17032   1
      178   .   1   1   17   17   GLU   C      C   13   174.889   0.000   .   1   .   .   .   .   .   17   GLU   C      .   17032   1
      179   .   1   1   17   17   GLU   CA     C   13   56.462    0.063   .   1   .   .   .   .   .   17   GLU   CA     .   17032   1
      180   .   1   1   17   17   GLU   CB     C   13   31.095    0.065   .   1   .   .   .   .   .   17   GLU   CB     .   17032   1
      181   .   1   1   17   17   GLU   CG     C   13   36.022    0.037   .   1   .   .   .   .   .   17   GLU   CG     .   17032   1
      182   .   1   1   17   17   GLU   N      N   15   123.097   0.021   .   1   .   .   .   .   .   17   GLU   N      .   17032   1
      183   .   1   1   18   18   TYR   H      H   1    7.921     0.002   .   1   .   .   .   .   .   18   TYR   H      .   17032   1
      184   .   1   1   18   18   TYR   HA     H   1    4.377     0.000   .   1   .   .   .   .   .   18   TYR   HA     .   17032   1
      185   .   1   1   18   18   TYR   HB2    H   1    2.812     0.000   .   2   .   .   .   .   .   18   TYR   HB2    .   17032   1
      186   .   1   1   18   18   TYR   HB3    H   1    3.097     0.000   .   2   .   .   .   .   .   18   TYR   HB3    .   17032   1
      187   .   1   1   18   18   TYR   CA     C   13   59.477    0.060   .   1   .   .   .   .   .   18   TYR   CA     .   17032   1
      188   .   1   1   18   18   TYR   CB     C   13   39.681    0.060   .   1   .   .   .   .   .   18   TYR   CB     .   17032   1
      189   .   1   1   18   18   TYR   N      N   15   126.304   0.021   .   1   .   .   .   .   .   18   TYR   N      .   17032   1
   stop_
save_