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                      31092
   _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             .
   _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-1H TOCSY'   .   .   .   31092   1
      2   '2D 1H-1H NOESY'   .   .   .   31092   1
      3   '2D 1H-13C HSQC'   .   .   .   31092   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    ILE   HA     H   1    4.072     0.001   .   1   .   .   125   .   A   1    ILE   HA     .   31092   1
      2     .   1   .   1   1    1    ILE   HB     H   1    1.996     0.0     .   1   .   .   129   .   A   1    ILE   HB     .   31092   1
      3     .   1   .   1   1    1    ILE   HG12   H   1    1.614     0.0     .   2   .   .   127   .   A   1    ILE   HG12   .   31092   1
      4     .   1   .   1   1    1    ILE   HG13   H   1    1.308     0.0     .   2   .   .   131   .   A   1    ILE   HG13   .   31092   1
      5     .   1   .   1   1    1    ILE   HG21   H   1    1.013     0.001   .   1   .   .   126   .   A   1    ILE   HG21   .   31092   1
      6     .   1   .   1   1    1    ILE   HG22   H   1    1.013     0.001   .   1   .   .   126   .   A   1    ILE   HG22   .   31092   1
      7     .   1   .   1   1    1    ILE   HG23   H   1    1.013     0.001   .   1   .   .   126   .   A   1    ILE   HG23   .   31092   1
      8     .   1   .   1   1    1    ILE   CA     C   13   60.560    .       .   1   .   .   150   .   A   1    ILE   CA     .   31092   1
      9     .   1   .   1   1    1    ILE   CB     C   13   39.177    .       .   1   .   .   130   .   A   1    ILE   CB     .   31092   1
      10    .   1   .   1   1    1    ILE   CG1    C   13   27.411    0.0     .   1   .   .   149   .   A   1    ILE   CG1    .   31092   1
      11    .   1   .   1   1    1    ILE   CG2    C   13   16.739    .       .   1   .   .   128   .   A   1    ILE   CG2    .   31092   1
      12    .   1   .   1   2    2    ILE   H      H   1    8.047     0.001   .   1   .   .   116   .   A   2    ILE   H      .   31092   1
      13    .   1   .   1   2    2    ILE   HA     H   1    4.210     0.001   .   1   .   .   121   .   A   2    ILE   HA     .   31092   1
      14    .   1   .   1   2    2    ILE   HB     H   1    1.983     0.0     .   1   .   .   120   .   A   2    ILE   HB     .   31092   1
      15    .   1   .   1   2    2    ILE   HG12   H   1    1.277     0.0     .   2   .   .   118   .   A   2    ILE   HG12   .   31092   1
      16    .   1   .   1   2    2    ILE   HG13   H   1    1.586     0.0     .   2   .   .   119   .   A   2    ILE   HG13   .   31092   1
      17    .   1   .   1   2    2    ILE   HG21   H   1    1.014     0.002   .   1   .   .   117   .   A   2    ILE   HG21   .   31092   1
      18    .   1   .   1   2    2    ILE   HG22   H   1    1.014     0.002   .   1   .   .   117   .   A   2    ILE   HG22   .   31092   1
      19    .   1   .   1   2    2    ILE   HG23   H   1    1.014     0.002   .   1   .   .   117   .   A   2    ILE   HG23   .   31092   1
      20    .   1   .   1   2    2    ILE   CA     C   13   61.794    .       .   1   .   .   151   .   A   2    ILE   CA     .   31092   1
      21    .   1   .   1   2    2    ILE   CB     C   13   38.604    .       .   1   .   .   124   .   A   2    ILE   CB     .   31092   1
      22    .   1   .   1   2    2    ILE   CG1    C   13   27.298    0.006   .   1   .   .   123   .   A   2    ILE   CG1    .   31092   1
      23    .   1   .   1   2    2    ILE   CG2    C   13   17.830    .       .   1   .   .   122   .   A   2    ILE   CG2    .   31092   1
      24    .   1   .   1   3    3    ASN   H      H   1    8.492     0.001   .   1   .   .   43    .   A   3    ASN   H      .   31092   1
      25    .   1   .   1   3    3    ASN   HA     H   1    4.630     0.0     .   1   .   .   44    .   A   3    ASN   HA     .   31092   1
      26    .   1   .   1   3    3    ASN   HB2    H   1    2.835     0.0     .   2   .   .   45    .   A   3    ASN   HB2    .   31092   1
      27    .   1   .   1   3    3    ASN   HB3    H   1    2.960     0.0     .   2   .   .   46    .   A   3    ASN   HB3    .   31092   1
      28    .   1   .   1   3    3    ASN   HD21   H   1    6.868     0.001   .   1   .   .   187   .   A   3    ASN   HD21   .   31092   1
      29    .   1   .   1   3    3    ASN   HD22   H   1    7.625     0.002   .   1   .   .   188   .   A   3    ASN   HD22   .   31092   1
      30    .   1   .   1   3    3    ASN   CA     C   13   54.915    .       .   1   .   .   152   .   A   3    ASN   CA     .   31092   1
      31    .   1   .   1   3    3    ASN   CB     C   13   38.812    0.004   .   1   .   .   153   .   A   3    ASN   CB     .   31092   1
      32    .   1   .   1   4    4    VAL   H      H   1    8.126     0.0     .   1   .   .   93    .   A   4    VAL   H      .   31092   1
      33    .   1   .   1   4    4    VAL   HA     H   1    3.957     0.001   .   1   .   .   94    .   A   4    VAL   HA     .   31092   1
      34    .   1   .   1   4    4    VAL   HB     H   1    2.228     0.001   .   1   .   .   97    .   A   4    VAL   HB     .   31092   1
      35    .   1   .   1   4    4    VAL   HG11   H   1    0.996     0.001   .   2   .   .   95    .   A   4    VAL   HG11   .   31092   1
      36    .   1   .   1   4    4    VAL   HG12   H   1    0.996     0.001   .   2   .   .   95    .   A   4    VAL   HG12   .   31092   1
      37    .   1   .   1   4    4    VAL   HG13   H   1    0.996     0.001   .   2   .   .   95    .   A   4    VAL   HG13   .   31092   1
      38    .   1   .   1   4    4    VAL   HG21   H   1    1.052     0.0     .   2   .   .   96    .   A   4    VAL   HG21   .   31092   1
      39    .   1   .   1   4    4    VAL   HG22   H   1    1.052     0.0     .   2   .   .   96    .   A   4    VAL   HG22   .   31092   1
      40    .   1   .   1   4    4    VAL   HG23   H   1    1.052     0.0     .   2   .   .   96    .   A   4    VAL   HG23   .   31092   1
      41    .   1   .   1   4    4    VAL   CA     C   13   63.514    .       .   1   .   .   154   .   A   4    VAL   CA     .   31092   1
      42    .   1   .   1   4    4    VAL   CB     C   13   31.958    .       .   1   .   .   107   .   A   4    VAL   CB     .   31092   1
      43    .   1   .   1   4    4    VAL   CG1    C   13   21.249    .       .   2   .   .   99    .   A   4    VAL   CG1    .   31092   1
      44    .   1   .   1   4    4    VAL   CG2    C   13   21.627    .       .   2   .   .   98    .   A   4    VAL   CG2    .   31092   1
      45    .   1   .   1   5    5    LEU   H      H   1    7.828     0.001   .   1   .   .   80    .   A   5    LEU   H      .   31092   1
      46    .   1   .   1   5    5    LEU   HA     H   1    4.181     0.001   .   1   .   .   81    .   A   5    LEU   HA     .   31092   1
      47    .   1   .   1   5    5    LEU   HB2    H   1    1.699     0.0     .   2   .   .   82    .   A   5    LEU   HB2    .   31092   1
      48    .   1   .   1   5    5    LEU   HB3    H   1    1.873     0.0     .   2   .   .   83    .   A   5    LEU   HB3    .   31092   1
      49    .   1   .   1   5    5    LEU   HG     H   1    1.569     0.0     .   1   .   .   157   .   A   5    LEU   HG     .   31092   1
      50    .   1   .   1   5    5    LEU   HD11   H   1    0.943     0.0     .   1   .   .   245   .   A   5    LEU   HD11   .   31092   1
      51    .   1   .   1   5    5    LEU   HD12   H   1    0.943     0.0     .   1   .   .   245   .   A   5    LEU   HD12   .   31092   1
      52    .   1   .   1   5    5    LEU   HD13   H   1    0.943     0.0     .   1   .   .   245   .   A   5    LEU   HD13   .   31092   1
      53    .   1   .   1   5    5    LEU   HD21   H   1    0.943     0.0     .   1   .   .   244   .   A   5    LEU   HD21   .   31092   1
      54    .   1   .   1   5    5    LEU   HD22   H   1    0.943     0.0     .   1   .   .   244   .   A   5    LEU   HD22   .   31092   1
      55    .   1   .   1   5    5    LEU   HD23   H   1    0.943     0.0     .   1   .   .   244   .   A   5    LEU   HD23   .   31092   1
      56    .   1   .   1   5    5    LEU   CA     C   13   56.340    .       .   1   .   .   155   .   A   5    LEU   CA     .   31092   1
      57    .   1   .   1   5    5    LEU   CB     C   13   41.319    0.003   .   1   .   .   156   .   A   5    LEU   CB     .   31092   1
      58    .   1   .   1   5    5    LEU   CG     C   13   27.080    .       .   1   .   .   158   .   A   5    LEU   CG     .   31092   1
      59    .   1   .   1   5    5    LEU   CD1    C   13   25.113    .       .   1   .   .   246   .   A   5    LEU   CD1    .   31092   1
      60    .   1   .   1   5    5    LEU   CD2    C   13   25.113    .       .   1   .   .   247   .   A   5    LEU   CD2    .   31092   1
      61    .   1   .   1   6    6    THR   H      H   1    7.976     0.0     .   1   .   .   77    .   A   6    THR   H      .   31092   1
      62    .   1   .   1   6    6    THR   HA     H   1    4.050     0.002   .   1   .   .   78    .   A   6    THR   HA     .   31092   1
      63    .   1   .   1   6    6    THR   HB     H   1    4.261     0.0     .   1   .   .   75    .   A   6    THR   HB     .   31092   1
      64    .   1   .   1   6    6    THR   HG21   H   1    1.282     0.002   .   1   .   .   79    .   A   6    THR   HG21   .   31092   1
      65    .   1   .   1   6    6    THR   HG22   H   1    1.282     0.002   .   1   .   .   79    .   A   6    THR   HG22   .   31092   1
      66    .   1   .   1   6    6    THR   HG23   H   1    1.282     0.002   .   1   .   .   79    .   A   6    THR   HG23   .   31092   1
      67    .   1   .   1   6    6    THR   CA     C   13   65.563    .       .   1   .   .   160   .   A   6    THR   CA     .   31092   1
      68    .   1   .   1   6    6    THR   CB     C   13   68.788    .       .   1   .   .   76    .   A   6    THR   CB     .   31092   1
      69    .   1   .   1   6    6    THR   CG2    C   13   22.018    .       .   1   .   .   159   .   A   6    THR   CG2    .   31092   1
      70    .   1   .   1   7    7    SER   H      H   1    8.004     0.001   .   1   .   .   65    .   A   7    SER   H      .   31092   1
      71    .   1   .   1   7    7    SER   HA     H   1    4.422     0.001   .   1   .   .   68    .   A   7    SER   HA     .   31092   1
      72    .   1   .   1   7    7    SER   HB2    H   1    3.972     0.001   .   1   .   .   66    .   A   7    SER   HB2    .   31092   1
      73    .   1   .   1   7    7    SER   HB3    H   1    3.972     0.0     .   1   .   .   67    .   A   7    SER   HB3    .   31092   1
      74    .   1   .   1   7    7    SER   CA     C   13   61.166    .       .   1   .   .   162   .   A   7    SER   CA     .   31092   1
      75    .   1   .   1   7    7    SER   CB     C   13   64.795    .       .   1   .   .   161   .   A   7    SER   CB     .   31092   1
      76    .   1   .   1   8    8    ILE   H      H   1    7.526     0.0     .   1   .   .   55    .   A   8    ILE   H      .   31092   1
      77    .   1   .   1   8    8    ILE   HA     H   1    4.258     0.0     .   1   .   .   56    .   A   8    ILE   HA     .   31092   1
      78    .   1   .   1   8    8    ILE   HB     H   1    2.050     0.0     .   1   .   .   57    .   A   8    ILE   HB     .   31092   1
      79    .   1   .   1   8    8    ILE   HG12   H   1    1.315     0.001   .   1   .   .   59    .   A   8    ILE   HG12   .   31092   1
      80    .   1   .   1   8    8    ILE   HG13   H   1    1.315     0.001   .   1   .   .   58    .   A   8    ILE   HG13   .   31092   1
      81    .   1   .   1   8    8    ILE   HG21   H   1    0.940     0.0     .   1   .   .   60    .   A   8    ILE   HG21   .   31092   1
      82    .   1   .   1   8    8    ILE   HG22   H   1    0.940     0.0     .   1   .   .   60    .   A   8    ILE   HG22   .   31092   1
      83    .   1   .   1   8    8    ILE   HG23   H   1    0.940     0.0     .   1   .   .   60    .   A   8    ILE   HG23   .   31092   1
      84    .   1   .   1   8    8    ILE   CA     C   13   62.628    .       .   1   .   .   64    .   A   8    ILE   CA     .   31092   1
      85    .   1   .   1   8    8    ILE   CB     C   13   39.183    .       .   1   .   .   63    .   A   8    ILE   CB     .   31092   1
      86    .   1   .   1   8    8    ILE   CG1    C   13   27.215    .       .   1   .   .   62    .   A   8    ILE   CG1    .   31092   1
      87    .   1   .   1   8    8    ILE   CG2    C   13   17.740    .       .   1   .   .   61    .   A   8    ILE   CG2    .   31092   1
      88    .   1   .   1   9    9    VAL   H      H   1    7.838     0.0     .   1   .   .   100   .   A   9    VAL   H      .   31092   1
      89    .   1   .   1   9    9    VAL   HA     H   1    3.706     0.001   .   1   .   .   106   .   A   9    VAL   HA     .   31092   1
      90    .   1   .   1   9    9    VAL   HB     H   1    2.232     0.001   .   1   .   .   105   .   A   9    VAL   HB     .   31092   1
      91    .   1   .   1   9    9    VAL   HG11   H   1    1.020     0.001   .   2   .   .   101   .   A   9    VAL   HG11   .   31092   1
      92    .   1   .   1   9    9    VAL   HG12   H   1    1.020     0.001   .   2   .   .   101   .   A   9    VAL   HG12   .   31092   1
      93    .   1   .   1   9    9    VAL   HG13   H   1    1.020     0.001   .   2   .   .   101   .   A   9    VAL   HG13   .   31092   1
      94    .   1   .   1   9    9    VAL   HG21   H   1    1.099     0.0     .   2   .   .   102   .   A   9    VAL   HG21   .   31092   1
      95    .   1   .   1   9    9    VAL   HG22   H   1    1.099     0.0     .   2   .   .   102   .   A   9    VAL   HG22   .   31092   1
      96    .   1   .   1   9    9    VAL   HG23   H   1    1.099     0.0     .   2   .   .   102   .   A   9    VAL   HG23   .   31092   1
      97    .   1   .   1   9    9    VAL   CA     C   13   66.282    .       .   1   .   .   163   .   A   9    VAL   CA     .   31092   1
      98    .   1   .   1   9    9    VAL   CB     C   13   31.828    .       .   1   .   .   108   .   A   9    VAL   CB     .   31092   1
      99    .   1   .   1   9    9    VAL   CG1    C   13   21.833    .       .   2   .   .   104   .   A   9    VAL   CG1    .   31092   1
      100   .   1   .   1   9    9    VAL   CG2    C   13   22.611    .       .   2   .   .   103   .   A   9    VAL   CG2    .   31092   1
      101   .   1   .   1   10   10   THR   H      H   1    8.055     0.001   .   1   .   .   69    .   A   10   THR   H      .   31092   1
      102   .   1   .   1   10   10   THR   HA     H   1    4.451     0.001   .   1   .   .   73    .   A   10   THR   HA     .   31092   1
      103   .   1   .   1   10   10   THR   HB     H   1    4.089     0.001   .   1   .   .   72    .   A   10   THR   HB     .   31092   1
      104   .   1   .   1   10   10   THR   HG21   H   1    1.251     0.001   .   1   .   .   70    .   A   10   THR   HG21   .   31092   1
      105   .   1   .   1   10   10   THR   HG22   H   1    1.251     0.001   .   1   .   .   70    .   A   10   THR   HG22   .   31092   1
      106   .   1   .   1   10   10   THR   HG23   H   1    1.251     0.001   .   1   .   .   70    .   A   10   THR   HG23   .   31092   1
      107   .   1   .   1   10   10   THR   CA     C   13   66.028    .       .   1   .   .   165   .   A   10   THR   CA     .   31092   1
      108   .   1   .   1   10   10   THR   CB     C   13   68.905    .       .   1   .   .   74    .   A   10   THR   CB     .   31092   1
      109   .   1   .   1   10   10   THR   CG2    C   13   21.800    .       .   1   .   .   71    .   A   10   THR   CG2    .   31092   1
      110   .   1   .   1   11   11   PRO   HA     H   1    4.453     0.001   .   1   .   .   10    .   A   11   PRO   HA     .   31092   1
      111   .   1   .   1   11   11   PRO   HB2    H   1    1.799     0.002   .   2   .   .   4     .   A   11   PRO   HB2    .   31092   1
      112   .   1   .   1   11   11   PRO   HB3    H   1    2.445     0.0     .   2   .   .   6     .   A   11   PRO   HB3    .   31092   1
      113   .   1   .   1   11   11   PRO   HG2    H   1    2.042     0.001   .   2   .   .   7     .   A   11   PRO   HG2    .   31092   1
      114   .   1   .   1   11   11   PRO   HG3    H   1    2.232     0.0     .   2   .   .   9     .   A   11   PRO   HG3    .   31092   1
      115   .   1   .   1   11   11   PRO   HD2    H   1    3.499     0.001   .   2   .   .   1     .   A   11   PRO   HD2    .   31092   1
      116   .   1   .   1   11   11   PRO   HD3    H   1    3.754     0.003   .   2   .   .   3     .   A   11   PRO   HD3    .   31092   1
      117   .   1   .   1   11   11   PRO   CA     C   13   66.887    .       .   1   .   .   164   .   A   11   PRO   CA     .   31092   1
      118   .   1   .   1   11   11   PRO   CB     C   13   31.251    .       .   1   .   .   5     .   A   11   PRO   CB     .   31092   1
      119   .   1   .   1   11   11   PRO   CG     C   13   28.033    .       .   1   .   .   8     .   A   11   PRO   CG     .   31092   1
      120   .   1   .   1   11   11   PRO   CD     C   13   49.945    0.011   .   1   .   .   2     .   A   11   PRO   CD     .   31092   1
      121   .   1   .   1   12   12   ILE   H      H   1    7.209     0.005   .   1   .   .   110   .   A   12   ILE   H      .   31092   1
      122   .   1   .   1   12   12   ILE   HA     H   1    3.673     0.001   .   1   .   .   111   .   A   12   ILE   HA     .   31092   1
      123   .   1   .   1   12   12   ILE   HB     H   1    2.082     0.0     .   1   .   .   112   .   A   12   ILE   HB     .   31092   1
      124   .   1   .   1   12   12   ILE   HG12   H   1    1.303     0.0     .   1   .   .   168   .   A   12   ILE   HG12   .   31092   1
      125   .   1   .   1   12   12   ILE   HG13   H   1    1.303     0.0     .   1   .   .   167   .   A   12   ILE   HG13   .   31092   1
      126   .   1   .   1   12   12   ILE   HG21   H   1    0.895     0.007   .   1   .   .   109   .   A   12   ILE   HG21   .   31092   1
      127   .   1   .   1   12   12   ILE   HG22   H   1    0.895     0.007   .   1   .   .   109   .   A   12   ILE   HG22   .   31092   1
      128   .   1   .   1   12   12   ILE   HG23   H   1    0.895     0.007   .   1   .   .   109   .   A   12   ILE   HG23   .   31092   1
      129   .   1   .   1   12   12   ILE   CA     C   13   65.710    .       .   1   .   .   170   .   A   12   ILE   CA     .   31092   1
      130   .   1   .   1   12   12   ILE   CB     C   13   39.119    .       .   1   .   .   113   .   A   12   ILE   CB     .   31092   1
      131   .   1   .   1   12   12   ILE   CG1    C   13   27.170    .       .   1   .   .   169   .   A   12   ILE   CG1    .   31092   1
      132   .   1   .   1   12   12   ILE   CG2    C   13   17.333    .       .   1   .   .   166   .   A   12   ILE   CG2    .   31092   1
      133   .   1   .   1   13   13   LYS   H      H   1    8.646     0.001   .   1   .   .   29    .   A   13   LYS   H      .   31092   1
      134   .   1   .   1   13   13   LYS   HA     H   1    3.882     0.001   .   1   .   .   30    .   A   13   LYS   HA     .   31092   1
      135   .   1   .   1   13   13   LYS   HB2    H   1    1.919     0.0     .   2   .   .   37    .   A   13   LYS   HB2    .   31092   1
      136   .   1   .   1   13   13   LYS   HB3    H   1    2.001     0.0     .   2   .   .   38    .   A   13   LYS   HB3    .   31092   1
      137   .   1   .   1   13   13   LYS   HG2    H   1    1.439     0.0     .   2   .   .   31    .   A   13   LYS   HG2    .   31092   1
      138   .   1   .   1   13   13   LYS   HG3    H   1    1.642     0.0     .   2   .   .   32    .   A   13   LYS   HG3    .   31092   1
      139   .   1   .   1   13   13   LYS   HD2    H   1    1.750     0.0     .   2   .   .   34    .   A   13   LYS   HD2    .   31092   1
      140   .   1   .   1   13   13   LYS   HD3    H   1    1.863     0.001   .   2   .   .   36    .   A   13   LYS   HD3    .   31092   1
      141   .   1   .   1   13   13   LYS   HE2    H   1    2.986     0.0     .   1   .   .   41    .   A   13   LYS   HE2    .   31092   1
      142   .   1   .   1   13   13   LYS   HE3    H   1    2.986     0.0     .   1   .   .   40    .   A   13   LYS   HE3    .   31092   1
      143   .   1   .   1   13   13   LYS   CA     C   13   60.263    .       .   1   .   .   171   .   A   13   LYS   CA     .   31092   1
      144   .   1   .   1   13   13   LYS   CB     C   13   32.177    0.018   .   1   .   .   39    .   A   13   LYS   CB     .   31092   1
      145   .   1   .   1   13   13   LYS   CG     C   13   25.663    .       .   1   .   .   33    .   A   13   LYS   CG     .   31092   1
      146   .   1   .   1   13   13   LYS   CD     C   13   27.041    0.009   .   1   .   .   35    .   A   13   LYS   CD     .   31092   1
      147   .   1   .   1   13   13   LYS   CE     C   13   42.115    .       .   1   .   .   42    .   A   13   LYS   CE     .   31092   1
      148   .   1   .   1   14   14   ASN   H      H   1    8.470     0.0     .   1   .   .   47    .   A   14   ASN   H      .   31092   1
      149   .   1   .   1   14   14   ASN   HA     H   1    4.475     0.0     .   1   .   .   48    .   A   14   ASN   HA     .   31092   1
      150   .   1   .   1   14   14   ASN   HB2    H   1    2.829     0.002   .   2   .   .   49    .   A   14   ASN   HB2    .   31092   1
      151   .   1   .   1   14   14   ASN   HB3    H   1    2.999     0.002   .   2   .   .   50    .   A   14   ASN   HB3    .   31092   1
      152   .   1   .   1   14   14   ASN   HD21   H   1    7.576     0.0     .   1   .   .   185   .   A   14   ASN   HD21   .   31092   1
      153   .   1   .   1   14   14   ASN   HD22   H   1    6.819     0.0     .   1   .   .   186   .   A   14   ASN   HD22   .   31092   1
      154   .   1   .   1   14   14   ASN   CA     C   13   55.760    .       .   1   .   .   172   .   A   14   ASN   CA     .   31092   1
      155   .   1   .   1   14   14   ASN   CB     C   13   38.210    0.003   .   1   .   .   173   .   A   14   ASN   CB     .   31092   1
      156   .   1   .   1   15   15   GLN   H      H   1    7.913     0.001   .   1   .   .   84    .   A   15   GLN   H      .   31092   1
      157   .   1   .   1   15   15   GLN   HA     H   1    4.199     0.001   .   1   .   .   85    .   A   15   GLN   HA     .   31092   1
      158   .   1   .   1   15   15   GLN   HB2    H   1    2.200     0.001   .   2   .   .   135   .   A   15   GLN   HB2    .   31092   1
      159   .   1   .   1   15   15   GLN   HB3    H   1    2.275     0.0     .   2   .   .   136   .   A   15   GLN   HB3    .   31092   1
      160   .   1   .   1   15   15   GLN   HG2    H   1    2.723     0.001   .   2   .   .   132   .   A   15   GLN   HG2    .   31092   1
      161   .   1   .   1   15   15   GLN   HG3    H   1    2.215     0.0     .   2   .   .   134   .   A   15   GLN   HG3    .   31092   1
      162   .   1   .   1   15   15   GLN   CA     C   13   57.657    .       .   1   .   .   174   .   A   15   GLN   CA     .   31092   1
      163   .   1   .   1   15   15   GLN   CB     C   13   27.947    .       .   1   .   .   137   .   A   15   GLN   CB     .   31092   1
      164   .   1   .   1   15   15   GLN   CG     C   13   32.929    0.012   .   1   .   .   133   .   A   15   GLN   CG     .   31092   1
      165   .   1   .   1   16   16   LEU   H      H   1    8.410     0.001   .   1   .   .   86    .   A   16   LEU   H      .   31092   1
      166   .   1   .   1   16   16   LEU   HA     H   1    4.160     0.001   .   1   .   .   87    .   A   16   LEU   HA     .   31092   1
      167   .   1   .   1   16   16   LEU   HB2    H   1    1.757     0.0     .   2   .   .   88    .   A   16   LEU   HB2    .   31092   1
      168   .   1   .   1   16   16   LEU   HB3    H   1    1.861     0.0     .   2   .   .   89    .   A   16   LEU   HB3    .   31092   1
      169   .   1   .   1   16   16   LEU   HD11   H   1    0.921     0.0     .   1   .   .   91    .   A   16   LEU   HD11   .   31092   1
      170   .   1   .   1   16   16   LEU   HD12   H   1    0.921     0.0     .   1   .   .   91    .   A   16   LEU   HD12   .   31092   1
      171   .   1   .   1   16   16   LEU   HD13   H   1    0.921     0.0     .   1   .   .   91    .   A   16   LEU   HD13   .   31092   1
      172   .   1   .   1   16   16   LEU   HD21   H   1    0.921     0.0     .   1   .   .   90    .   A   16   LEU   HD21   .   31092   1
      173   .   1   .   1   16   16   LEU   HD22   H   1    0.921     0.0     .   1   .   .   90    .   A   16   LEU   HD22   .   31092   1
      174   .   1   .   1   16   16   LEU   HD23   H   1    0.921     0.0     .   1   .   .   90    .   A   16   LEU   HD23   .   31092   1
      175   .   1   .   1   16   16   LEU   CA     C   13   56.287    .       .   1   .   .   175   .   A   16   LEU   CA     .   31092   1
      176   .   1   .   1   16   16   LEU   CB     C   13   41.550    0.001   .   1   .   .   92    .   A   16   LEU   CB     .   31092   1
      177   .   1   .   1   16   16   LEU   CD1    C   13   25.309    .       .   1   .   .   176   .   A   16   LEU   CD1    .   31092   1
      178   .   1   .   1   16   16   LEU   CD2    C   13   25.309    .       .   1   .   .   177   .   A   16   LEU   CD2    .   31092   1
      179   .   1   .   1   17   17   ASP   H      H   1    8.302     0.0     .   1   .   .   51    .   A   17   ASP   H      .   31092   1
      180   .   1   .   1   17   17   ASP   HA     H   1    4.497     0.0     .   1   .   .   52    .   A   17   ASP   HA     .   31092   1
      181   .   1   .   1   17   17   ASP   HB2    H   1    2.853     0.0     .   2   .   .   53    .   A   17   ASP   HB2    .   31092   1
      182   .   1   .   1   17   17   ASP   HB3    H   1    2.949     0.0     .   2   .   .   54    .   A   17   ASP   HB3    .   31092   1
      183   .   1   .   1   17   17   ASP   CA     C   13   55.850    .       .   1   .   .   178   .   A   17   ASP   CA     .   31092   1
      184   .   1   .   1   17   17   ASP   CB     C   13   39.045    0.004   .   1   .   .   179   .   A   17   ASP   CB     .   31092   1
      185   .   1   .   1   18   18   LYS   H      H   1    7.654     0.0     .   1   .   .   114   .   A   18   LYS   H      .   31092   1
      186   .   1   .   1   18   18   LYS   HA     H   1    4.049     0.0     .   1   .   .   115   .   A   18   LYS   HA     .   31092   1
      187   .   1   .   1   18   18   LYS   HB2    H   1    1.815     0.001   .   1   .   .   145   .   A   18   LYS   HB2    .   31092   1
      188   .   1   .   1   18   18   LYS   HB3    H   1    1.815     0.001   .   1   .   .   144   .   A   18   LYS   HB3    .   31092   1
      189   .   1   .   1   18   18   LYS   HG2    H   1    1.250     0.0     .   2   .   .   138   .   A   18   LYS   HG2    .   31092   1
      190   .   1   .   1   18   18   LYS   HG3    H   1    1.445     0.0     .   2   .   .   139   .   A   18   LYS   HG3    .   31092   1
      191   .   1   .   1   18   18   LYS   HD2    H   1    1.651     0.0     .   1   .   .   141   .   A   18   LYS   HD2    .   31092   1
      192   .   1   .   1   18   18   LYS   HD3    H   1    1.651     0.0     .   1   .   .   142   .   A   18   LYS   HD3    .   31092   1
      193   .   1   .   1   18   18   LYS   HE2    H   1    2.926     0.0     .   1   .   .   147   .   A   18   LYS   HE2    .   31092   1
      194   .   1   .   1   18   18   LYS   HE3    H   1    2.926     0.0     .   1   .   .   148   .   A   18   LYS   HE3    .   31092   1
      195   .   1   .   1   18   18   LYS   CA     C   13   58.402    .       .   1   .   .   181   .   A   18   LYS   CA     .   31092   1
      196   .   1   .   1   18   18   LYS   CB     C   13   32.494    .       .   1   .   .   146   .   A   18   LYS   CB     .   31092   1
      197   .   1   .   1   18   18   LYS   CG     C   13   24.931    .       .   1   .   .   140   .   A   18   LYS   CG     .   31092   1
      198   .   1   .   1   18   18   LYS   CD     C   13   29.427    .       .   1   .   .   143   .   A   18   LYS   CD     .   31092   1
      199   .   1   .   1   18   18   LYS   CE     C   13   42.293    .       .   1   .   .   180   .   A   18   LYS   CE     .   31092   1
      200   .   1   .   1   19   19   TYR   H      H   1    7.819     0.0     .   1   .   .   15    .   A   19   TYR   H      .   31092   1
      201   .   1   .   1   19   19   TYR   HA     H   1    4.441     0.002   .   1   .   .   16    .   A   19   TYR   HA     .   31092   1
      202   .   1   .   1   19   19   TYR   HB2    H   1    3.002     0.0     .   2   .   .   17    .   A   19   TYR   HB2    .   31092   1
      203   .   1   .   1   19   19   TYR   HB3    H   1    3.220     0.001   .   2   .   .   18    .   A   19   TYR   HB3    .   31092   1
      204   .   1   .   1   19   19   TYR   HD1    H   1    7.191     0.003   .   1   .   .   11    .   A   19   TYR   HD1    .   31092   1
      205   .   1   .   1   19   19   TYR   HD2    H   1    7.191     0.003   .   1   .   .   11    .   A   19   TYR   HD2    .   31092   1
      206   .   1   .   1   19   19   TYR   HE1    H   1    6.836     0.0     .   1   .   .   13    .   A   19   TYR   HE1    .   31092   1
      207   .   1   .   1   19   19   TYR   HE2    H   1    6.836     0.0     .   1   .   .   13    .   A   19   TYR   HE2    .   31092   1
      208   .   1   .   1   19   19   TYR   CA     C   13   59.487    .       .   1   .   .   20    .   A   19   TYR   CA     .   31092   1
      209   .   1   .   1   19   19   TYR   CB     C   13   39.092    0.004   .   1   .   .   19    .   A   19   TYR   CB     .   31092   1
      210   .   1   .   1   19   19   TYR   CD1    C   13   133.192   .       .   1   .   .   12    .   A   19   TYR   CD1    .   31092   1
      211   .   1   .   1   19   19   TYR   CD2    C   13   133.192   .       .   1   .   .   12    .   A   19   TYR   CD2    .   31092   1
      212   .   1   .   1   19   19   TYR   CE1    C   13   118.157   .       .   1   .   .   14    .   A   19   TYR   CE1    .   31092   1
      213   .   1   .   1   19   19   TYR   CE2    C   13   118.157   .       .   1   .   .   14    .   A   19   TYR   CE2    .   31092   1
      214   .   1   .   1   20   20   GLN   H      H   1    8.047     0.001   .   1   .   .   24    .   A   20   GLN   H      .   31092   1
      215   .   1   .   1   20   20   GLN   HA     H   1    4.181     0.001   .   1   .   .   25    .   A   20   GLN   HA     .   31092   1
      216   .   1   .   1   20   20   GLN   HB2    H   1    2.046     0.001   .   2   .   .   26    .   A   20   GLN   HB2    .   31092   1
      217   .   1   .   1   20   20   GLN   HB3    H   1    2.143     0.0     .   2   .   .   27    .   A   20   GLN   HB3    .   31092   1
      218   .   1   .   1   20   20   GLN   HG2    H   1    2.388     0.002   .   2   .   .   21    .   A   20   GLN   HG2    .   31092   1
      219   .   1   .   1   20   20   GLN   HG3    H   1    2.497     0.002   .   2   .   .   23    .   A   20   GLN   HG3    .   31092   1
      220   .   1   .   1   20   20   GLN   HE21   H   1    7.271     0.0     .   1   .   .   189   .   A   20   GLN   HE21   .   31092   1
      221   .   1   .   1   20   20   GLN   HE22   H   1    6.755     0.001   .   1   .   .   190   .   A   20   GLN   HE22   .   31092   1
      222   .   1   .   1   20   20   GLN   CA     C   13   57.950    .       .   1   .   .   182   .   A   20   GLN   CA     .   31092   1
      223   .   1   .   1   20   20   GLN   CB     C   13   29.630    .       .   1   .   .   28    .   A   20   GLN   CB     .   31092   1
      224   .   1   .   1   20   20   GLN   CG     C   13   34.230    .       .   1   .   .   22    .   A   20   GLN   CG     .   31092   1
      225   .   1   .   1   21   21   NH2   HN1    H   1    6.963     0.0     .   1   .   .   184   .   A   21   NH2   HN1    .   31092   1
      226   .   1   .   1   21   21   NH2   HN2    H   1    7.021     0.001   .   1   .   .   183   .   A   21   NH2   HN2    .   31092   1
   stop_
save_