Content for NMR-STAR saveframe, "assigned_chem_shift_list"

    save_assigned_chem_shift_list
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list
   _Assigned_chem_shift_list.Entry_ID                      25956
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5frh/ebi/1144_rsra_red_shifts.str-renumbered_test_3.txt.csh'
   _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   NOESY                      1   $sample_1   solution   25956   1
      2   'TOCSY (2D and 3D) HNCA'   1   $sample_1   solution   25956   1
      3   'CBCANH and CBCA(CO)NH'    1   $sample_1   solution   25956   1
      4   'HNCO and HN(CA)CO'        1   $sample_1   solution   25956   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   $CNS   .   .   25956   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1      .   1   1   4     4     MET   HB2    H   1    1.951     .       .   2   .   4      .   .   4     MET   HB2    .   25956   1
      2      .   1   1   4     4     MET   HB3    H   1    2.410     .       .   2   .   5      .   .   4     MET   HB3    .   25956   1
      3      .   1   1   4     4     MET   HG2    H   1    2.410     .       .   1   .   7      .   .   4     MET   HG2    .   25956   1
      4      .   1   1   4     4     MET   HG3    H   1    2.410     .       .   1   .   8      .   .   4     MET   HG3    .   25956   1
      5      .   1   1   4     4     MET   HE1    H   1    1.951     .       .   1   .   6      .   .   4     MET   HE1    .   25956   1
      6      .   1   1   4     4     MET   HE2    H   1    1.951     .       .   1   .   6      .   .   4     MET   HE2    .   25956   1
      7      .   1   1   4     4     MET   HE3    H   1    1.951     .       .   1   .   6      .   .   4     MET   HE3    .   25956   1
      8      .   1   1   4     4     MET   C      C   13   176.046   .       .   1   .   1      .   .   4     MET   C      .   25956   1
      9      .   1   1   4     4     MET   CA     C   13   55.492    .       .   1   .   2      .   .   4     MET   CA     .   25956   1
      10     .   1   1   4     4     MET   CB     C   13   32.793    .       .   1   .   3      .   .   4     MET   CB     .   25956   1
      11     .   1   1   5     5     SER   H      H   1    8.357     0.012   .   1   .   12     .   .   5     SER   H      .   25956   1
      12     .   1   1   5     5     SER   HA     H   1    4.424     0.013   .   1   .   13     .   .   5     SER   HA     .   25956   1
      13     .   1   1   5     5     SER   HB2    H   1    3.789     .       .   2   .   14     .   .   5     SER   HB2    .   25956   1
      14     .   1   1   5     5     SER   HB3    H   1    3.842     0.009   .   2   .   15     .   .   5     SER   HB3    .   25956   1
      15     .   1   1   5     5     SER   C      C   13   174.164   .       .   1   .   9      .   .   5     SER   C      .   25956   1
      16     .   1   1   5     5     SER   CA     C   13   58.347    0.054   .   1   .   10     .   .   5     SER   CA     .   25956   1
      17     .   1   1   5     5     SER   CB     C   13   63.781    0.041   .   1   .   11     .   .   5     SER   CB     .   25956   1
      18     .   1   1   5     5     SER   N      N   15   117.373   0.052   .   1   .   16     .   .   5     SER   N      .   25956   1
      19     .   1   1   6     6     ALA   H      H   1    8.407     0.008   .   1   .   20     .   .   6     ALA   H      .   25956   1
      20     .   1   1   6     6     ALA   HA     H   1    4.336     0.008   .   1   .   21     .   .   6     ALA   HA     .   25956   1
      21     .   1   1   6     6     ALA   HB1    H   1    1.397     0.004   .   1   .   22     .   .   6     ALA   HB1    .   25956   1
      22     .   1   1   6     6     ALA   HB2    H   1    1.397     0.004   .   1   .   22     .   .   6     ALA   HB2    .   25956   1
      23     .   1   1   6     6     ALA   HB3    H   1    1.397     0.004   .   1   .   22     .   .   6     ALA   HB3    .   25956   1
      24     .   1   1   6     6     ALA   C      C   13   177.946   .       .   1   .   17     .   .   6     ALA   C      .   25956   1
      25     .   1   1   6     6     ALA   CA     C   13   52.673    0.011   .   1   .   18     .   .   6     ALA   CA     .   25956   1
      26     .   1   1   6     6     ALA   CB     C   13   19.179    0.008   .   1   .   19     .   .   6     ALA   CB     .   25956   1
      27     .   1   1   6     6     ALA   N      N   15   126.118   0.051   .   1   .   23     .   .   6     ALA   N      .   25956   1
      28     .   1   1   7     7     GLY   H      H   1    8.303     0.006   .   1   .   26     .   .   7     GLY   H      .   25956   1
      29     .   1   1   7     7     GLY   HA2    H   1    3.930     0.002   .   2   .   27     .   .   7     GLY   HA2    .   25956   1
      30     .   1   1   7     7     GLY   HA3    H   1    3.931     0.002   .   2   .   28     .   .   7     GLY   HA3    .   25956   1
      31     .   1   1   7     7     GLY   C      C   13   173.750   .       .   1   .   24     .   .   7     GLY   C      .   25956   1
      32     .   1   1   7     7     GLY   CA     C   13   45.011    0.003   .   1   .   25     .   .   7     GLY   CA     .   25956   1
      33     .   1   1   7     7     GLY   N      N   15   108.066   0.057   .   1   .   29     .   .   7     GLY   N      .   25956   1
      34     .   1   1   8     8     GLU   H      H   1    8.177     0.008   .   1   .   33     .   .   8     GLU   H      .   25956   1
      35     .   1   1   8     8     GLU   HA     H   1    4.574     0.003   .   1   .   34     .   .   8     GLU   HA     .   25956   1
      36     .   1   1   8     8     GLU   HB2    H   1    1.836     0.003   .   2   .   35     .   .   8     GLU   HB2    .   25956   1
      37     .   1   1   8     8     GLU   HB3    H   1    2.009     0.004   .   2   .   36     .   .   8     GLU   HB3    .   25956   1
      38     .   1   1   8     8     GLU   HG2    H   1    2.253     0.004   .   1   .   37     .   .   8     GLU   HG2    .   25956   1
      39     .   1   1   8     8     GLU   HG3    H   1    2.253     0.004   .   1   .   38     .   .   8     GLU   HG3    .   25956   1
      40     .   1   1   8     8     GLU   C      C   13   174.771   .       .   1   .   30     .   .   8     GLU   C      .   25956   1
      41     .   1   1   8     8     GLU   CA     C   13   54.350    0.198   .   1   .   31     .   .   8     GLU   CA     .   25956   1
      42     .   1   1   8     8     GLU   CB     C   13   29.740    0.181   .   1   .   32     .   .   8     GLU   CB     .   25956   1
      43     .   1   1   8     8     GLU   N      N   15   121.600   0.039   .   1   .   39     .   .   8     GLU   N      .   25956   1
      44     .   1   1   9     9     PRO   HA     H   1    4.384     0.006   .   1   .   45     .   .   9     PRO   HA     .   25956   1
      45     .   1   1   9     9     PRO   HB2    H   1    2.001     0.018   .   2   .   46     .   .   9     PRO   HB2    .   25956   1
      46     .   1   1   9     9     PRO   HB3    H   1    2.257     0.012   .   2   .   47     .   .   9     PRO   HB3    .   25956   1
      47     .   1   1   9     9     PRO   HG2    H   1    1.873     0.003   .   1   .   50     .   .   9     PRO   HG2    .   25956   1
      48     .   1   1   9     9     PRO   HG3    H   1    1.873     0.003   .   1   .   51     .   .   9     PRO   HG3    .   25956   1
      49     .   1   1   9     9     PRO   HD2    H   1    3.669     0.019   .   2   .   48     .   .   9     PRO   HD2    .   25956   1
      50     .   1   1   9     9     PRO   HD3    H   1    3.778     0.008   .   2   .   49     .   .   9     PRO   HD3    .   25956   1
      51     .   1   1   9     9     PRO   C      C   13   176.659   .       .   1   .   40     .   .   9     PRO   C      .   25956   1
      52     .   1   1   9     9     PRO   CA     C   13   63.478    0.059   .   1   .   41     .   .   9     PRO   CA     .   25956   1
      53     .   1   1   9     9     PRO   CB     C   13   32.232    0.281   .   1   .   42     .   .   9     PRO   CB     .   25956   1
      54     .   1   1   9     9     PRO   CG     C   13   27.175    0.056   .   1   .   44     .   .   9     PRO   CG     .   25956   1
      55     .   1   1   9     9     PRO   CD     C   13   50.540    0.061   .   1   .   43     .   .   9     PRO   CD     .   25956   1
      56     .   1   1   10    10    HIS   H      H   1    8.403     0.007   .   1   .   55     .   .   10    HIS   H      .   25956   1
      57     .   1   1   10    10    HIS   HA     H   1    4.650     0.012   .   1   .   56     .   .   10    HIS   HA     .   25956   1
      58     .   1   1   10    10    HIS   HB2    H   1    3.134     0.003   .   1   .   57     .   .   10    HIS   HB2    .   25956   1
      59     .   1   1   10    10    HIS   HB3    H   1    3.134     0.003   .   1   .   58     .   .   10    HIS   HB3    .   25956   1
      60     .   1   1   10    10    HIS   C      C   13   175.063   .       .   1   .   52     .   .   10    HIS   C      .   25956   1
      61     .   1   1   10    10    HIS   CA     C   13   56.043    0.162   .   1   .   53     .   .   10    HIS   CA     .   25956   1
      62     .   1   1   10    10    HIS   CB     C   13   30.491    .       .   1   .   54     .   .   10    HIS   CB     .   25956   1
      63     .   1   1   10    10    HIS   N      N   15   119.126   0.035   .   1   .   59     .   .   10    HIS   N      .   25956   1
      64     .   1   1   11    11    GLU   H      H   1    8.391     0.01    .   1   .   63     .   .   11    GLU   H      .   25956   1
      65     .   1   1   11    11    GLU   HA     H   1    4.315     0.004   .   1   .   64     .   .   11    GLU   HA     .   25956   1
      66     .   1   1   11    11    GLU   HB2    H   1    1.920     .       .   2   .   65     .   .   11    GLU   HB2    .   25956   1
      67     .   1   1   11    11    GLU   HB3    H   1    2.026     0.005   .   2   .   66     .   .   11    GLU   HB3    .   25956   1
      68     .   1   1   11    11    GLU   HG2    H   1    2.203     0.005   .   2   .   67     .   .   11    GLU   HG2    .   25956   1
      69     .   1   1   11    11    GLU   HG3    H   1    2.353     0.004   .   2   .   68     .   .   11    GLU   HG3    .   25956   1
      70     .   1   1   11    11    GLU   C      C   13   176.559   .       .   1   .   60     .   .   11    GLU   C      .   25956   1
      71     .   1   1   11    11    GLU   CA     C   13   56.747    0.006   .   1   .   61     .   .   11    GLU   CA     .   25956   1
      72     .   1   1   11    11    GLU   CB     C   13   30.372    0.012   .   1   .   62     .   .   11    GLU   CB     .   25956   1
      73     .   1   1   11    11    GLU   N      N   15   122.757   0.059   .   1   .   69     .   .   11    GLU   N      .   25956   1
      74     .   1   1   12    12    THR   H      H   1    8.352     0.004   .   1   .   74     .   .   12    THR   H      .   25956   1
      75     .   1   1   12    12    THR   HA     H   1    4.290     0.004   .   1   .   75     .   .   12    THR   HA     .   25956   1
      76     .   1   1   12    12    THR   HB     H   1    4.134     0.004   .   1   .   76     .   .   12    THR   HB     .   25956   1
      77     .   1   1   12    12    THR   HG1    H   1    4.767     0.016   .   1   .   77     .   .   12    THR   HG1    .   25956   1
      78     .   1   1   12    12    THR   HG21   H   1    1.202     0.003   .   1   .   78     .   .   12    THR   HG21   .   25956   1
      79     .   1   1   12    12    THR   HG22   H   1    1.202     0.003   .   1   .   78     .   .   12    THR   HG22   .   25956   1
      80     .   1   1   12    12    THR   HG23   H   1    1.202     0.003   .   1   .   78     .   .   12    THR   HG23   .   25956   1
      81     .   1   1   12    12    THR   C      C   13   174.130   .       .   1   .   70     .   .   12    THR   C      .   25956   1
      82     .   1   1   12    12    THR   CA     C   13   62.344    0.224   .   1   .   71     .   .   12    THR   CA     .   25956   1
      83     .   1   1   12    12    THR   CB     C   13   69.722    0.256   .   1   .   72     .   .   12    THR   CB     .   25956   1
      84     .   1   1   12    12    THR   CG2    C   13   22.399    .       .   1   .   73     .   .   12    THR   CG2    .   25956   1
      85     .   1   1   12    12    THR   N      N   15   116.633   0.045   .   1   .   79     .   .   12    THR   N      .   25956   1
      86     .   1   1   13    13    ASP   H      H   1    8.593     0.005   .   1   .   83     .   .   13    ASP   H      .   25956   1
      87     .   1   1   13    13    ASP   HA     H   1    4.696     0.006   .   1   .   84     .   .   13    ASP   HA     .   25956   1
      88     .   1   1   13    13    ASP   HB2    H   1    2.767     0.008   .   2   .   85     .   .   13    ASP   HB2    .   25956   1
      89     .   1   1   13    13    ASP   HB3    H   1    2.862     0.006   .   2   .   86     .   .   13    ASP   HB3    .   25956   1
      90     .   1   1   13    13    ASP   C      C   13   177.399   .       .   1   .   80     .   .   13    ASP   C      .   25956   1
      91     .   1   1   13    13    ASP   CA     C   13   54.346    0.013   .   1   .   81     .   .   13    ASP   CA     .   25956   1
      92     .   1   1   13    13    ASP   CB     C   13   41.299    0.045   .   1   .   82     .   .   13    ASP   CB     .   25956   1
      93     .   1   1   13    13    ASP   N      N   15   124.189   0.052   .   1   .   87     .   .   13    ASP   N      .   25956   1
      94     .   1   1   14    14    CYS   HA     H   1    4.892     0.007   .   1   .   90     .   .   14    CYS   HA     .   25956   1
      95     .   1   1   14    14    CYS   HB2    H   1    3.179     0.006   .   2   .   91     .   .   14    CYS   HB2    .   25956   1
      96     .   1   1   14    14    CYS   HB3    H   1    3.204     0.013   .   2   .   92     .   .   14    CYS   HB3    .   25956   1
      97     .   1   1   14    14    CYS   CA     C   13   55.590    0.016   .   1   .   88     .   .   14    CYS   CA     .   25956   1
      98     .   1   1   14    14    CYS   CB     C   13   37.462    0.068   .   1   .   89     .   .   14    CYS   CB     .   25956   1
      99     .   1   1   15    15    SER   H      H   1    8.514     0.005   .   1   .   96     .   .   15    SER   H      .   25956   1
      100    .   1   1   15    15    SER   HA     H   1    4.337     0.03    .   1   .   97     .   .   15    SER   HA     .   25956   1
      101    .   1   1   15    15    SER   HB2    H   1    3.950     .       .   1   .   98     .   .   15    SER   HB2    .   25956   1
      102    .   1   1   15    15    SER   HB3    H   1    3.950     .       .   1   .   99     .   .   15    SER   HB3    .   25956   1
      103    .   1   1   15    15    SER   C      C   13   175.923   .       .   1   .   93     .   .   15    SER   C      .   25956   1
      104    .   1   1   15    15    SER   CA     C   13   62.674    0.14    .   1   .   94     .   .   15    SER   CA     .   25956   1
      105    .   1   1   15    15    SER   CB     C   13   63.381    .       .   1   .   95     .   .   15    SER   CB     .   25956   1
      106    .   1   1   15    15    SER   N      N   15   117.534   0.029   .   1   .   100    .   .   15    SER   N      .   25956   1
      107    .   1   1   16    16    GLU   H      H   1    7.951     0.017   .   1   .   104    .   .   16    GLU   H      .   25956   1
      108    .   1   1   16    16    GLU   HA     H   1    4.075     0.005   .   1   .   105    .   .   16    GLU   HA     .   25956   1
      109    .   1   1   16    16    GLU   HB2    H   1    2.015     0.004   .   1   .   106    .   .   16    GLU   HB2    .   25956   1
      110    .   1   1   16    16    GLU   HB3    H   1    2.027     .       .   1   .   107    .   .   16    GLU   HB3    .   25956   1
      111    .   1   1   16    16    GLU   HG2    H   1    2.268     0.006   .   1   .   108    .   .   16    GLU   HG2    .   25956   1
      112    .   1   1   16    16    GLU   HG3    H   1    2.268     0.004   .   1   .   109    .   .   16    GLU   HG3    .   25956   1
      113    .   1   1   16    16    GLU   C      C   13   178.722   .       .   1   .   101    .   .   16    GLU   C      .   25956   1
      114    .   1   1   16    16    GLU   CA     C   13   59.481    0.006   .   1   .   102    .   .   16    GLU   CA     .   25956   1
      115    .   1   1   16    16    GLU   CB     C   13   29.455    0.018   .   1   .   103    .   .   16    GLU   CB     .   25956   1
      116    .   1   1   16    16    GLU   N      N   15   121.618   0.056   .   1   .   110    .   .   16    GLU   N      .   25956   1
      117    .   1   1   17    17    ILE   H      H   1    7.759     0.013   .   1   .   114    .   .   17    ILE   H      .   25956   1
      118    .   1   1   17    17    ILE   HA     H   1    3.861     0.009   .   1   .   115    .   .   17    ILE   HA     .   25956   1
      119    .   1   1   17    17    ILE   HB     H   1    2.030     0.006   .   1   .   116    .   .   17    ILE   HB     .   25956   1
      120    .   1   1   17    17    ILE   HG12   H   1    1.267     0.002   .   2   .   118    .   .   17    ILE   HG12   .   25956   1
      121    .   1   1   17    17    ILE   HG13   H   1    1.632     0.004   .   2   .   119    .   .   17    ILE   HG13   .   25956   1
      122    .   1   1   17    17    ILE   HG21   H   1    0.986     0.011   .   1   .   120    .   .   17    ILE   HG21   .   25956   1
      123    .   1   1   17    17    ILE   HG22   H   1    0.986     0.011   .   1   .   120    .   .   17    ILE   HG22   .   25956   1
      124    .   1   1   17    17    ILE   HG23   H   1    0.986     0.011   .   1   .   120    .   .   17    ILE   HG23   .   25956   1
      125    .   1   1   17    17    ILE   HD11   H   1    0.868     0.005   .   1   .   117    .   .   17    ILE   HD11   .   25956   1
      126    .   1   1   17    17    ILE   HD12   H   1    0.868     0.005   .   1   .   117    .   .   17    ILE   HD12   .   25956   1
      127    .   1   1   17    17    ILE   HD13   H   1    0.868     0.005   .   1   .   117    .   .   17    ILE   HD13   .   25956   1
      128    .   1   1   17    17    ILE   C      C   13   178.332   .       .   1   .   111    .   .   17    ILE   C      .   25956   1
      129    .   1   1   17    17    ILE   CA     C   13   63.936    0.003   .   1   .   112    .   .   17    ILE   CA     .   25956   1
      130    .   1   1   17    17    ILE   CB     C   13   37.595    .       .   1   .   113    .   .   17    ILE   CB     .   25956   1
      131    .   1   1   17    17    ILE   N      N   15   119.671   0.035   .   1   .   121    .   .   17    ILE   N      .   25956   1
      132    .   1   1   18    18    LEU   H      H   1    8.176     0.015   .   1   .   125    .   .   18    LEU   H      .   25956   1
      133    .   1   1   18    18    LEU   HA     H   1    4.053     0.008   .   1   .   126    .   .   18    LEU   HA     .   25956   1
      134    .   1   1   18    18    LEU   HB2    H   1    1.879     0.005   .   1   .   127    .   .   18    LEU   HB2    .   25956   1
      135    .   1   1   18    18    LEU   HB3    H   1    1.879     0.005   .   1   .   128    .   .   18    LEU   HB3    .   25956   1
      136    .   1   1   18    18    LEU   HG     H   1    1.291     0.005   .   1   .   131    .   .   18    LEU   HG     .   25956   1
      137    .   1   1   18    18    LEU   HD11   H   1    0.622     0.005   .   1   .   129    .   .   18    LEU   HD11   .   25956   1
      138    .   1   1   18    18    LEU   HD12   H   1    0.622     0.005   .   1   .   129    .   .   18    LEU   HD12   .   25956   1
      139    .   1   1   18    18    LEU   HD13   H   1    0.622     0.005   .   1   .   129    .   .   18    LEU   HD13   .   25956   1
      140    .   1   1   18    18    LEU   HD21   H   1    0.622     0.005   .   1   .   130    .   .   18    LEU   HD21   .   25956   1
      141    .   1   1   18    18    LEU   HD22   H   1    0.622     0.005   .   1   .   130    .   .   18    LEU   HD22   .   25956   1
      142    .   1   1   18    18    LEU   HD23   H   1    0.622     0.005   .   1   .   130    .   .   18    LEU   HD23   .   25956   1
      143    .   1   1   18    18    LEU   C      C   13   179.294   .       .   1   .   122    .   .   18    LEU   C      .   25956   1
      144    .   1   1   18    18    LEU   CA     C   13   58.024    .       .   1   .   123    .   .   18    LEU   CA     .   25956   1
      145    .   1   1   18    18    LEU   CB     C   13   40.286    .       .   1   .   124    .   .   18    LEU   CB     .   25956   1
      146    .   1   1   18    18    LEU   N      N   15   119.303   0.082   .   1   .   132    .   .   18    LEU   N      .   25956   1
      147    .   1   1   19    19    ASP   H      H   1    8.116     0.014   .   1   .   136    .   .   19    ASP   H      .   25956   1
      148    .   1   1   19    19    ASP   HA     H   1    4.463     0.005   .   1   .   137    .   .   19    ASP   HA     .   25956   1
      149    .   1   1   19    19    ASP   HB2    H   1    2.680     0.006   .   2   .   138    .   .   19    ASP   HB2    .   25956   1
      150    .   1   1   19    19    ASP   HB3    H   1    2.837     0.005   .   2   .   139    .   .   19    ASP   HB3    .   25956   1
      151    .   1   1   19    19    ASP   C      C   13   178.974   .       .   1   .   133    .   .   19    ASP   C      .   25956   1
      152    .   1   1   19    19    ASP   CA     C   13   57.690    .       .   1   .   134    .   .   19    ASP   CA     .   25956   1
      153    .   1   1   19    19    ASP   CB     C   13   40.290    .       .   1   .   135    .   .   19    ASP   CB     .   25956   1
      154    .   1   1   19    19    ASP   N      N   15   121.167   0.111   .   1   .   140    .   .   19    ASP   N      .   25956   1
      155    .   1   1   20    20    HIS   H      H   1    8.218     0.01    .   1   .   144    .   .   20    HIS   H      .   25956   1
      156    .   1   1   20    20    HIS   HA     H   1    4.643     0.004   .   1   .   145    .   .   20    HIS   HA     .   25956   1
      157    .   1   1   20    20    HIS   HB2    H   1    3.256     0.004   .   2   .   146    .   .   20    HIS   HB2    .   25956   1
      158    .   1   1   20    20    HIS   HB3    H   1    3.446     0.004   .   2   .   147    .   .   20    HIS   HB3    .   25956   1
      159    .   1   1   20    20    HIS   HD2    H   1    7.123     0.001   .   1   .   148    .   .   20    HIS   HD2    .   25956   1
      160    .   1   1   20    20    HIS   HE1    H   1    8.226     0.002   .   1   .   149    .   .   20    HIS   HE1    .   25956   1
      161    .   1   1   20    20    HIS   C      C   13   178.292   .       .   1   .   141    .   .   20    HIS   C      .   25956   1
      162    .   1   1   20    20    HIS   CA     C   13   58.109    0.001   .   1   .   142    .   .   20    HIS   CA     .   25956   1
      163    .   1   1   20    20    HIS   CB     C   13   29.380    .       .   1   .   143    .   .   20    HIS   CB     .   25956   1
      164    .   1   1   20    20    HIS   N      N   15   119.098   0.054   .   1   .   150    .   .   20    HIS   N      .   25956   1
      165    .   1   1   21    21    LEU   H      H   1    8.495     0.016   .   1   .   154    .   .   21    LEU   H      .   25956   1
      166    .   1   1   21    21    LEU   HA     H   1    4.057     0.005   .   1   .   155    .   .   21    LEU   HA     .   25956   1
      167    .   1   1   21    21    LEU   HB2    H   1    1.615     0.003   .   2   .   156    .   .   21    LEU   HB2    .   25956   1
      168    .   1   1   21    21    LEU   HB3    H   1    1.618     0.001   .   2   .   157    .   .   21    LEU   HB3    .   25956   1
      169    .   1   1   21    21    LEU   HG     H   1    1.540     0.012   .   1   .   160    .   .   21    LEU   HG     .   25956   1
      170    .   1   1   21    21    LEU   HD11   H   1    0.726     0.008   .   2   .   158    .   .   21    LEU   HD11   .   25956   1
      171    .   1   1   21    21    LEU   HD12   H   1    0.726     0.008   .   2   .   158    .   .   21    LEU   HD12   .   25956   1
      172    .   1   1   21    21    LEU   HD13   H   1    0.726     0.008   .   2   .   158    .   .   21    LEU   HD13   .   25956   1
      173    .   1   1   21    21    LEU   HD21   H   1    0.821     0.028   .   2   .   159    .   .   21    LEU   HD21   .   25956   1
      174    .   1   1   21    21    LEU   HD22   H   1    0.821     0.028   .   2   .   159    .   .   21    LEU   HD22   .   25956   1
      175    .   1   1   21    21    LEU   HD23   H   1    0.821     0.028   .   2   .   159    .   .   21    LEU   HD23   .   25956   1
      176    .   1   1   21    21    LEU   C      C   13   177.281   .       .   1   .   151    .   .   21    LEU   C      .   25956   1
      177    .   1   1   21    21    LEU   CA     C   13   57.986    0.027   .   1   .   152    .   .   21    LEU   CA     .   25956   1
      178    .   1   1   21    21    LEU   CB     C   13   41.307    .       .   1   .   153    .   .   21    LEU   CB     .   25956   1
      179    .   1   1   21    21    LEU   N      N   15   121.136   0.043   .   1   .   161    .   .   21    LEU   N      .   25956   1
      180    .   1   1   22    22    TYR   H      H   1    8.501     0.006   .   1   .   165    .   .   22    TYR   H      .   25956   1
      181    .   1   1   22    22    TYR   HA     H   1    3.627     0.006   .   1   .   166    .   .   22    TYR   HA     .   25956   1
      182    .   1   1   22    22    TYR   HB2    H   1    3.007     0.007   .   2   .   167    .   .   22    TYR   HB2    .   25956   1
      183    .   1   1   22    22    TYR   HB3    H   1    3.323     0.004   .   2   .   168    .   .   22    TYR   HB3    .   25956   1
      184    .   1   1   22    22    TYR   HD1    H   1    6.957     0.004   .   1   .   169    .   .   22    TYR   HD1    .   25956   1
      185    .   1   1   22    22    TYR   HD2    H   1    6.957     0.004   .   1   .   170    .   .   22    TYR   HD2    .   25956   1
      186    .   1   1   22    22    TYR   HE1    H   1    6.788     0.009   .   1   .   171    .   .   22    TYR   HE1    .   25956   1
      187    .   1   1   22    22    TYR   HE2    H   1    6.788     0.009   .   1   .   172    .   .   22    TYR   HE2    .   25956   1
      188    .   1   1   22    22    TYR   C      C   13   177.020   .       .   1   .   162    .   .   22    TYR   C      .   25956   1
      189    .   1   1   22    22    TYR   CA     C   13   63.204    .       .   1   .   163    .   .   22    TYR   CA     .   25956   1
      190    .   1   1   22    22    TYR   CB     C   13   38.822    0.097   .   1   .   164    .   .   22    TYR   CB     .   25956   1
      191    .   1   1   22    22    TYR   N      N   15   119.994   0.058   .   1   .   173    .   .   22    TYR   N      .   25956   1
      192    .   1   1   23    23    GLU   H      H   1    8.070     0.008   .   1   .   177    .   .   23    GLU   H      .   25956   1
      193    .   1   1   23    23    GLU   HA     H   1    4.076     0.005   .   1   .   178    .   .   23    GLU   HA     .   25956   1
      194    .   1   1   23    23    GLU   HB2    H   1    2.176     0.005   .   2   .   179    .   .   23    GLU   HB2    .   25956   1
      195    .   1   1   23    23    GLU   HB3    H   1    2.252     0.006   .   2   .   180    .   .   23    GLU   HB3    .   25956   1
      196    .   1   1   23    23    GLU   HG2    H   1    2.403     0.005   .   2   .   181    .   .   23    GLU   HG2    .   25956   1
      197    .   1   1   23    23    GLU   HG3    H   1    2.502     0.004   .   2   .   182    .   .   23    GLU   HG3    .   25956   1
      198    .   1   1   23    23    GLU   C      C   13   178.233   .       .   1   .   174    .   .   23    GLU   C      .   25956   1
      199    .   1   1   23    23    GLU   CA     C   13   59.387    0.014   .   1   .   175    .   .   23    GLU   CA     .   25956   1
      200    .   1   1   23    23    GLU   CB     C   13   29.705    0.031   .   1   .   176    .   .   23    GLU   CB     .   25956   1
      201    .   1   1   23    23    GLU   N      N   15   117.126   0.047   .   1   .   183    .   .   23    GLU   N      .   25956   1
      202    .   1   1   24    24    PHE   H      H   1    8.008     0.01    .   1   .   187    .   .   24    PHE   H      .   25956   1
      203    .   1   1   24    24    PHE   HA     H   1    4.226     0.006   .   1   .   188    .   .   24    PHE   HA     .   25956   1
      204    .   1   1   24    24    PHE   HB2    H   1    3.040     0.005   .   2   .   189    .   .   24    PHE   HB2    .   25956   1
      205    .   1   1   24    24    PHE   HB3    H   1    3.120     0.027   .   2   .   190    .   .   24    PHE   HB3    .   25956   1
      206    .   1   1   24    24    PHE   HD1    H   1    6.964     0.007   .   1   .   191    .   .   24    PHE   HD1    .   25956   1
      207    .   1   1   24    24    PHE   HD2    H   1    6.964     0.007   .   1   .   192    .   .   24    PHE   HD2    .   25956   1
      208    .   1   1   24    24    PHE   HE1    H   1    7.133     0.007   .   1   .   193    .   .   24    PHE   HE1    .   25956   1
      209    .   1   1   24    24    PHE   HE2    H   1    7.133     0.007   .   1   .   194    .   .   24    PHE   HE2    .   25956   1
      210    .   1   1   24    24    PHE   HZ     H   1    7.043     0.024   .   1   .   195    .   .   24    PHE   HZ     .   25956   1
      211    .   1   1   24    24    PHE   C      C   13   177.317   .       .   1   .   184    .   .   24    PHE   C      .   25956   1
      212    .   1   1   24    24    PHE   CA     C   13   60.585    0.104   .   1   .   185    .   .   24    PHE   CA     .   25956   1
      213    .   1   1   24    24    PHE   CB     C   13   39.356    .       .   1   .   186    .   .   24    PHE   CB     .   25956   1
      214    .   1   1   24    24    PHE   N      N   15   119.263   0.058   .   1   .   196    .   .   24    PHE   N      .   25956   1
      215    .   1   1   25    25    LEU   H      H   1    8.107     0.01    .   1   .   200    .   .   25    LEU   H      .   25956   1
      216    .   1   1   25    25    LEU   HA     H   1    3.766     0.009   .   1   .   201    .   .   25    LEU   HA     .   25956   1
      217    .   1   1   25    25    LEU   HB2    H   1    1.977     0.001   .   1   .   202    .   .   25    LEU   HB2    .   25956   1
      218    .   1   1   25    25    LEU   HB3    H   1    1.977     0.001   .   1   .   203    .   .   25    LEU   HB3    .   25956   1
      219    .   1   1   25    25    LEU   HG     H   1    1.728     0.01    .   1   .   206    .   .   25    LEU   HG     .   25956   1
      220    .   1   1   25    25    LEU   HD11   H   1    0.717     0.008   .   1   .   204    .   .   25    LEU   HD11   .   25956   1
      221    .   1   1   25    25    LEU   HD12   H   1    0.717     0.008   .   1   .   204    .   .   25    LEU   HD12   .   25956   1
      222    .   1   1   25    25    LEU   HD13   H   1    0.717     0.008   .   1   .   204    .   .   25    LEU   HD13   .   25956   1
      223    .   1   1   25    25    LEU   HD21   H   1    0.758     0.007   .   1   .   205    .   .   25    LEU   HD21   .   25956   1
      224    .   1   1   25    25    LEU   HD22   H   1    0.758     0.007   .   1   .   205    .   .   25    LEU   HD22   .   25956   1
      225    .   1   1   25    25    LEU   HD23   H   1    0.758     0.007   .   1   .   205    .   .   25    LEU   HD23   .   25956   1
      226    .   1   1   25    25    LEU   C      C   13   179.297   .       .   1   .   197    .   .   25    LEU   C      .   25956   1
      227    .   1   1   25    25    LEU   CA     C   13   56.712    0.081   .   1   .   198    .   .   25    LEU   CA     .   25956   1
      228    .   1   1   25    25    LEU   CB     C   13   41.676    .       .   1   .   199    .   .   25    LEU   CB     .   25956   1
      229    .   1   1   25    25    LEU   N      N   15   117.129   0.081   .   1   .   207    .   .   25    LEU   N      .   25956   1
      230    .   1   1   26    26    ASP   H      H   1    8.659     0.007   .   1   .   211    .   .   26    ASP   H      .   25956   1
      231    .   1   1   26    26    ASP   HA     H   1    4.165     0.008   .   1   .   212    .   .   26    ASP   HA     .   25956   1
      232    .   1   1   26    26    ASP   HB2    H   1    2.401     0.005   .   2   .   213    .   .   26    ASP   HB2    .   25956   1
      233    .   1   1   26    26    ASP   HB3    H   1    2.548     0.003   .   2   .   214    .   .   26    ASP   HB3    .   25956   1
      234    .   1   1   26    26    ASP   C      C   13   176.850   .       .   1   .   208    .   .   26    ASP   C      .   25956   1
      235    .   1   1   26    26    ASP   CA     C   13   56.582    .       .   1   .   209    .   .   26    ASP   CA     .   25956   1
      236    .   1   1   26    26    ASP   CB     C   13   42.592    0.035   .   1   .   210    .   .   26    ASP   CB     .   25956   1
      237    .   1   1   26    26    ASP   N      N   15   121.144   0.158   .   1   .   215    .   .   26    ASP   N      .   25956   1
      238    .   1   1   27    27    LYS   H      H   1    7.529     0.005   .   1   .   219    .   .   27    LYS   H      .   25956   1
      239    .   1   1   27    27    LYS   HA     H   1    4.232     0.006   .   1   .   220    .   .   27    LYS   HA     .   25956   1
      240    .   1   1   27    27    LYS   HB2    H   1    1.708     0.003   .   2   .   221    .   .   27    LYS   HB2    .   25956   1
      241    .   1   1   27    27    LYS   HB3    H   1    1.890     0.002   .   2   .   222    .   .   27    LYS   HB3    .   25956   1
      242    .   1   1   27    27    LYS   HG2    H   1    1.438     .       .   2   .   227    .   .   27    LYS   HG2    .   25956   1
      243    .   1   1   27    27    LYS   HG3    H   1    1.445     0.004   .   2   .   228    .   .   27    LYS   HG3    .   25956   1
      244    .   1   1   27    27    LYS   HD2    H   1    1.560     0.005   .   1   .   223    .   .   27    LYS   HD2    .   25956   1
      245    .   1   1   27    27    LYS   HD3    H   1    1.560     0.005   .   1   .   224    .   .   27    LYS   HD3    .   25956   1
      246    .   1   1   27    27    LYS   HE2    H   1    2.995     0.005   .   1   .   225    .   .   27    LYS   HE2    .   25956   1
      247    .   1   1   27    27    LYS   HE3    H   1    2.995     0.005   .   1   .   226    .   .   27    LYS   HE3    .   25956   1
      248    .   1   1   27    27    LYS   C      C   13   175.840   .       .   1   .   216    .   .   27    LYS   C      .   25956   1
      249    .   1   1   27    27    LYS   CA     C   13   55.941    0.08    .   1   .   217    .   .   27    LYS   CA     .   25956   1
      250    .   1   1   27    27    LYS   CB     C   13   32.946    0.034   .   1   .   218    .   .   27    LYS   CB     .   25956   1
      251    .   1   1   27    27    LYS   N      N   15   114.785   0.053   .   1   .   229    .   .   27    LYS   N      .   25956   1
      252    .   1   1   28    28    GLU   H      H   1    7.873     0.008   .   1   .   233    .   .   28    GLU   H      .   25956   1
      253    .   1   1   28    28    GLU   HA     H   1    3.852     0.005   .   1   .   234    .   .   28    GLU   HA     .   25956   1
      254    .   1   1   28    28    GLU   HB2    H   1    1.958     0.003   .   1   .   235    .   .   28    GLU   HB2    .   25956   1
      255    .   1   1   28    28    GLU   HB3    H   1    1.958     0.003   .   1   .   236    .   .   28    GLU   HB3    .   25956   1
      256    .   1   1   28    28    GLU   HG2    H   1    2.100     0.001   .   1   .   237    .   .   28    GLU   HG2    .   25956   1
      257    .   1   1   28    28    GLU   HG3    H   1    2.100     0.001   .   1   .   238    .   .   28    GLU   HG3    .   25956   1
      258    .   1   1   28    28    GLU   C      C   13   175.811   .       .   1   .   230    .   .   28    GLU   C      .   25956   1
      259    .   1   1   28    28    GLU   CA     C   13   57.303    0.001   .   1   .   231    .   .   28    GLU   CA     .   25956   1
      260    .   1   1   28    28    GLU   CB     C   13   28.262    .       .   1   .   232    .   .   28    GLU   CB     .   25956   1
      261    .   1   1   28    28    GLU   N      N   15   117.338   0.068   .   1   .   239    .   .   28    GLU   N      .   25956   1
      262    .   1   1   29    29    MET   H      H   1    8.083     0.009   .   1   .   240    .   .   29    MET   H      .   25956   1
      263    .   1   1   29    29    MET   HA     H   1    4.226     0.001   .   1   .   241    .   .   29    MET   HA     .   25956   1
      264    .   1   1   29    29    MET   N      N   15   117.311   0.088   .   1   .   242    .   .   29    MET   N      .   25956   1
      265    .   1   1   30    30    PRO   HA     H   1    4.392     0.013   .   1   .   245    .   .   30    PRO   HA     .   25956   1
      266    .   1   1   30    30    PRO   HB2    H   1    2.014     0.008   .   2   .   246    .   .   30    PRO   HB2    .   25956   1
      267    .   1   1   30    30    PRO   HB3    H   1    2.283     0.006   .   2   .   247    .   .   30    PRO   HB3    .   25956   1
      268    .   1   1   30    30    PRO   HG2    H   1    1.896     0.002   .   2   .   250    .   .   30    PRO   HG2    .   25956   1
      269    .   1   1   30    30    PRO   HG3    H   1    2.014     0.008   .   2   .   251    .   .   30    PRO   HG3    .   25956   1
      270    .   1   1   30    30    PRO   HD2    H   1    3.622     0.017   .   2   .   248    .   .   30    PRO   HD2    .   25956   1
      271    .   1   1   30    30    PRO   HD3    H   1    3.793     0.002   .   2   .   249    .   .   30    PRO   HD3    .   25956   1
      272    .   1   1   30    30    PRO   CA     C   13   55.860    .       .   1   .   243    .   .   30    PRO   CA     .   25956   1
      273    .   1   1   30    30    PRO   CB     C   13   29.501    .       .   1   .   244    .   .   30    PRO   CB     .   25956   1
      274    .   1   1   31    31    ASP   H      H   1    8.448     0.024   .   1   .   255    .   .   31    ASP   H      .   25956   1
      275    .   1   1   31    31    ASP   HA     H   1    4.533     0.005   .   1   .   256    .   .   31    ASP   HA     .   25956   1
      276    .   1   1   31    31    ASP   HB2    H   1    2.703     0.003   .   2   .   257    .   .   31    ASP   HB2    .   25956   1
      277    .   1   1   31    31    ASP   HB3    H   1    2.732     0.02    .   2   .   258    .   .   31    ASP   HB3    .   25956   1
      278    .   1   1   31    31    ASP   C      C   13   176.648   .       .   1   .   252    .   .   31    ASP   C      .   25956   1
      279    .   1   1   31    31    ASP   CA     C   13   56.011    .       .   1   .   253    .   .   31    ASP   CA     .   25956   1
      280    .   1   1   31    31    ASP   CB     C   13   40.774    .       .   1   .   254    .   .   31    ASP   CB     .   25956   1
      281    .   1   1   31    31    ASP   N      N   15   120.684   0.063   .   1   .   259    .   .   31    ASP   N      .   25956   1
      282    .   1   1   32    32    SER   H      H   1    8.306     0.014   .   1   .   263    .   .   32    SER   H      .   25956   1
      283    .   1   1   32    32    SER   HA     H   1    4.315     0.003   .   1   .   264    .   .   32    SER   HA     .   25956   1
      284    .   1   1   32    32    SER   HB2    H   1    3.908     0.037   .   2   .   265    .   .   32    SER   HB2    .   25956   1
      285    .   1   1   32    32    SER   HB3    H   1    3.957     0.034   .   2   .   266    .   .   32    SER   HB3    .   25956   1
      286    .   1   1   32    32    SER   HG     H   1    4.783     .       .   1   .   267    .   .   32    SER   HG     .   25956   1
      287    .   1   1   32    32    SER   C      C   13   175.225   .       .   1   .   260    .   .   32    SER   C      .   25956   1
      288    .   1   1   32    32    SER   CA     C   13   59.849    0.024   .   1   .   261    .   .   32    SER   CA     .   25956   1
      289    .   1   1   32    32    SER   CB     C   13   63.333    0.011   .   1   .   262    .   .   32    SER   CB     .   25956   1
      290    .   1   1   32    32    SER   N      N   15   113.889   0.058   .   1   .   268    .   .   32    SER   N      .   25956   1
      291    .   1   1   33    33    ASP   H      H   1    7.990     0.011   .   1   .   272    .   .   33    ASP   H      .   25956   1
      292    .   1   1   33    33    ASP   HA     H   1    4.711     .       .   1   .   273    .   .   33    ASP   HA     .   25956   1
      293    .   1   1   33    33    ASP   HB2    H   1    2.744     0.009   .   2   .   274    .   .   33    ASP   HB2    .   25956   1
      294    .   1   1   33    33    ASP   HB3    H   1    2.851     0.012   .   2   .   275    .   .   33    ASP   HB3    .   25956   1
      295    .   1   1   33    33    ASP   C      C   13   176.673   .       .   1   .   269    .   .   33    ASP   C      .   25956   1
      296    .   1   1   33    33    ASP   CA     C   13   54.898    .       .   1   .   270    .   .   33    ASP   CA     .   25956   1
      297    .   1   1   33    33    ASP   CB     C   13   41.804    .       .   1   .   271    .   .   33    ASP   CB     .   25956   1
      298    .   1   1   33    33    ASP   N      N   15   121.365   0.052   .   1   .   276    .   .   33    ASP   N      .   25956   1
      299    .   1   1   34    34    ALA   H      H   1    8.174     0.013   .   1   .   280    .   .   34    ALA   H      .   25956   1
      300    .   1   1   34    34    ALA   HA     H   1    4.164     0.005   .   1   .   281    .   .   34    ALA   HA     .   25956   1
      301    .   1   1   34    34    ALA   HB1    H   1    1.569     0.008   .   1   .   282    .   .   34    ALA   HB1    .   25956   1
      302    .   1   1   34    34    ALA   HB2    H   1    1.569     0.008   .   1   .   282    .   .   34    ALA   HB2    .   25956   1
      303    .   1   1   34    34    ALA   HB3    H   1    1.569     0.008   .   1   .   282    .   .   34    ALA   HB3    .   25956   1
      304    .   1   1   34    34    ALA   C      C   13   178.982   .       .   1   .   277    .   .   34    ALA   C      .   25956   1
      305    .   1   1   34    34    ALA   CA     C   13   54.897    0.147   .   1   .   278    .   .   34    ALA   CA     .   25956   1
      306    .   1   1   34    34    ALA   CB     C   13   18.836    0.005   .   1   .   279    .   .   34    ALA   CB     .   25956   1
      307    .   1   1   34    34    ALA   N      N   15   124.060   0.035   .   1   .   283    .   .   34    ALA   N      .   25956   1
      308    .   1   1   35    35    VAL   H      H   1    7.904     0.003   .   1   .   287    .   .   35    VAL   H      .   25956   1
      309    .   1   1   35    35    VAL   HA     H   1    3.923     0.004   .   1   .   288    .   .   35    VAL   HA     .   25956   1
      310    .   1   1   35    35    VAL   HB     H   1    2.104     0.004   .   1   .   289    .   .   35    VAL   HB     .   25956   1
      311    .   1   1   35    35    VAL   HG11   H   1    0.900     0.005   .   2   .   290    .   .   35    VAL   HG11   .   25956   1
      312    .   1   1   35    35    VAL   HG12   H   1    0.900     0.005   .   2   .   290    .   .   35    VAL   HG12   .   25956   1
      313    .   1   1   35    35    VAL   HG13   H   1    0.900     0.005   .   2   .   290    .   .   35    VAL   HG13   .   25956   1
      314    .   1   1   35    35    VAL   HG21   H   1    1.006     0.003   .   2   .   291    .   .   35    VAL   HG21   .   25956   1
      315    .   1   1   35    35    VAL   HG22   H   1    1.006     0.003   .   2   .   291    .   .   35    VAL   HG22   .   25956   1
      316    .   1   1   35    35    VAL   HG23   H   1    1.006     0.003   .   2   .   291    .   .   35    VAL   HG23   .   25956   1
      317    .   1   1   35    35    VAL   C      C   13   177.324   .       .   1   .   284    .   .   35    VAL   C      .   25956   1
      318    .   1   1   35    35    VAL   CA     C   13   64.138    0.24    .   1   .   285    .   .   35    VAL   CA     .   25956   1
      319    .   1   1   35    35    VAL   CB     C   13   32.015    0.217   .   1   .   286    .   .   35    VAL   CB     .   25956   1
      320    .   1   1   35    35    VAL   N      N   15   117.203   0.057   .   1   .   292    .   .   35    VAL   N      .   25956   1
      321    .   1   1   36    36    LYS   H      H   1    7.812     0.005   .   1   .   298    .   .   36    LYS   H      .   25956   1
      322    .   1   1   36    36    LYS   HA     H   1    4.131     0.003   .   1   .   299    .   .   36    LYS   HA     .   25956   1
      323    .   1   1   36    36    LYS   HB2    H   1    1.744     0.007   .   2   .   300    .   .   36    LYS   HB2    .   25956   1
      324    .   1   1   36    36    LYS   HB3    H   1    1.745     0.007   .   2   .   301    .   .   36    LYS   HB3    .   25956   1
      325    .   1   1   36    36    LYS   HG2    H   1    1.284     0.004   .   2   .   306    .   .   36    LYS   HG2    .   25956   1
      326    .   1   1   36    36    LYS   HG3    H   1    1.388     0.01    .   2   .   307    .   .   36    LYS   HG3    .   25956   1
      327    .   1   1   36    36    LYS   HD2    H   1    1.625     0.003   .   2   .   302    .   .   36    LYS   HD2    .   25956   1
      328    .   1   1   36    36    LYS   HD3    H   1    1.628     0.006   .   2   .   303    .   .   36    LYS   HD3    .   25956   1
      329    .   1   1   36    36    LYS   HE2    H   1    2.913     0.008   .   2   .   304    .   .   36    LYS   HE2    .   25956   1
      330    .   1   1   36    36    LYS   HE3    H   1    2.914     0.007   .   2   .   305    .   .   36    LYS   HE3    .   25956   1
      331    .   1   1   36    36    LYS   C      C   13   177.849   .       .   1   .   293    .   .   36    LYS   C      .   25956   1
      332    .   1   1   36    36    LYS   CA     C   13   57.798    0.232   .   1   .   294    .   .   36    LYS   CA     .   25956   1
      333    .   1   1   36    36    LYS   CB     C   13   32.552    0.21    .   1   .   295    .   .   36    LYS   CB     .   25956   1
      334    .   1   1   36    36    LYS   CG     C   13   25.489    0.121   .   1   .   297    .   .   36    LYS   CG     .   25956   1
      335    .   1   1   36    36    LYS   CD     C   13   29.635    .       .   1   .   296    .   .   36    LYS   CD     .   25956   1
      336    .   1   1   36    36    LYS   N      N   15   121.352   0.071   .   1   .   308    .   .   36    LYS   N      .   25956   1
      337    .   1   1   37    37    PHE   H      H   1    8.007     0.01    .   1   .   312    .   .   37    PHE   H      .   25956   1
      338    .   1   1   37    37    PHE   HA     H   1    4.165     0.004   .   1   .   313    .   .   37    PHE   HA     .   25956   1
      339    .   1   1   37    37    PHE   HB2    H   1    2.783     0.029   .   2   .   314    .   .   37    PHE   HB2    .   25956   1
      340    .   1   1   37    37    PHE   HB3    H   1    2.837     0.014   .   2   .   315    .   .   37    PHE   HB3    .   25956   1
      341    .   1   1   37    37    PHE   HD1    H   1    6.902     0.015   .   1   .   316    .   .   37    PHE   HD1    .   25956   1
      342    .   1   1   37    37    PHE   HD2    H   1    6.902     0.015   .   1   .   317    .   .   37    PHE   HD2    .   25956   1
      343    .   1   1   37    37    PHE   HE1    H   1    7.006     0.003   .   1   .   318    .   .   37    PHE   HE1    .   25956   1
      344    .   1   1   37    37    PHE   HE2    H   1    7.006     0.003   .   1   .   319    .   .   37    PHE   HE2    .   25956   1
      345    .   1   1   37    37    PHE   HZ     H   1    7.006     0.003   .   1   .   320    .   .   37    PHE   HZ     .   25956   1
      346    .   1   1   37    37    PHE   C      C   13   176.599   .       .   1   .   309    .   .   37    PHE   C      .   25956   1
      347    .   1   1   37    37    PHE   CA     C   13   59.705    .       .   1   .   310    .   .   37    PHE   CA     .   25956   1
      348    .   1   1   37    37    PHE   CB     C   13   41.296    .       .   1   .   311    .   .   37    PHE   CB     .   25956   1
      349    .   1   1   37    37    PHE   N      N   15   119.267   0.038   .   1   .   321    .   .   37    PHE   N      .   25956   1
      350    .   1   1   38    38    GLU   H      H   1    8.255     0.018   .   1   .   325    .   .   38    GLU   H      .   25956   1
      351    .   1   1   38    38    GLU   HA     H   1    3.868     0.003   .   1   .   326    .   .   38    GLU   HA     .   25956   1
      352    .   1   1   38    38    GLU   HB2    H   1    1.995     0.004   .   2   .   327    .   .   38    GLU   HB2    .   25956   1
      353    .   1   1   38    38    GLU   HB3    H   1    1.996     0.004   .   2   .   328    .   .   38    GLU   HB3    .   25956   1
      354    .   1   1   38    38    GLU   HG2    H   1    2.112     0.006   .   2   .   329    .   .   38    GLU   HG2    .   25956   1
      355    .   1   1   38    38    GLU   HG3    H   1    2.235     0.003   .   2   .   330    .   .   38    GLU   HG3    .   25956   1
      356    .   1   1   38    38    GLU   C      C   13   175.790   .       .   1   .   322    .   .   38    GLU   C      .   25956   1
      357    .   1   1   38    38    GLU   CA     C   13   58.915    0.126   .   1   .   323    .   .   38    GLU   CA     .   25956   1
      358    .   1   1   38    38    GLU   CB     C   13   29.532    .       .   1   .   324    .   .   38    GLU   CB     .   25956   1
      359    .   1   1   38    38    GLU   N      N   15   120.097   0.05    .   1   .   331    .   .   38    GLU   N      .   25956   1
      360    .   1   1   39    39    HIS   HA     H   1    4.428     0.004   .   1   .   332    .   .   39    HIS   HA     .   25956   1
      361    .   1   1   39    39    HIS   HB2    H   1    2.969     0.001   .   1   .   333    .   .   39    HIS   HB2    .   25956   1
      362    .   1   1   39    39    HIS   HB3    H   1    2.969     0.001   .   1   .   334    .   .   39    HIS   HB3    .   25956   1
      363    .   1   1   39    39    HIS   HD2    H   1    6.733     0.002   .   1   .   335    .   .   39    HIS   HD2    .   25956   1
      364    .   1   1   39    39    HIS   HE1    H   1    7.837     .       .   1   .   336    .   .   39    HIS   HE1    .   25956   1
      365    .   1   1   40    40    HIS   HA     H   1    4.430     0.002   .   1   .   337    .   .   40    HIS   HA     .   25956   1
      366    .   1   1   40    40    HIS   HB2    H   1    2.762     0.002   .   2   .   338    .   .   40    HIS   HB2    .   25956   1
      367    .   1   1   40    40    HIS   HB3    H   1    2.870     0.003   .   2   .   339    .   .   40    HIS   HB3    .   25956   1
      368    .   1   1   40    40    HIS   HD2    H   1    6.598     0.003   .   1   .   340    .   .   40    HIS   HD2    .   25956   1
      369    .   1   1   40    40    HIS   HE1    H   1    7.793     0.009   .   1   .   341    .   .   40    HIS   HE1    .   25956   1
      370    .   1   1   41    41    PHE   H      H   1    8.515     0.005   .   1   .   345    .   .   41    PHE   H      .   25956   1
      371    .   1   1   41    41    PHE   HA     H   1    4.269     0.018   .   1   .   346    .   .   41    PHE   HA     .   25956   1
      372    .   1   1   41    41    PHE   HB2    H   1    2.844     0.009   .   2   .   347    .   .   41    PHE   HB2    .   25956   1
      373    .   1   1   41    41    PHE   HB3    H   1    3.089     0.004   .   2   .   348    .   .   41    PHE   HB3    .   25956   1
      374    .   1   1   41    41    PHE   HD1    H   1    7.071     0.004   .   1   .   349    .   .   41    PHE   HD1    .   25956   1
      375    .   1   1   41    41    PHE   HD2    H   1    7.071     0.004   .   1   .   350    .   .   41    PHE   HD2    .   25956   1
      376    .   1   1   41    41    PHE   HE1    H   1    7.128     0.011   .   1   .   351    .   .   41    PHE   HE1    .   25956   1
      377    .   1   1   41    41    PHE   HE2    H   1    7.128     0.011   .   1   .   352    .   .   41    PHE   HE2    .   25956   1
      378    .   1   1   41    41    PHE   HZ     H   1    7.126     0.01    .   1   .   353    .   .   41    PHE   HZ     .   25956   1
      379    .   1   1   41    41    PHE   C      C   13   176.581   .       .   1   .   342    .   .   41    PHE   C      .   25956   1
      380    .   1   1   41    41    PHE   CA     C   13   59.903    .       .   1   .   343    .   .   41    PHE   CA     .   25956   1
      381    .   1   1   41    41    PHE   CB     C   13   38.833    0.03    .   1   .   344    .   .   41    PHE   CB     .   25956   1
      382    .   1   1   41    41    PHE   N      N   15   120.114   0.021   .   1   .   354    .   .   41    PHE   N      .   25956   1
      383    .   1   1   42    42    GLU   H      H   1    8.343     0.018   .   1   .   358    .   .   42    GLU   H      .   25956   1
      384    .   1   1   42    42    GLU   HA     H   1    4.012     0.005   .   1   .   359    .   .   42    GLU   HA     .   25956   1
      385    .   1   1   42    42    GLU   HB2    H   1    2.060     0.003   .   2   .   360    .   .   42    GLU   HB2    .   25956   1
      386    .   1   1   42    42    GLU   HB3    H   1    2.061     0.003   .   2   .   361    .   .   42    GLU   HB3    .   25956   1
      387    .   1   1   42    42    GLU   HG2    H   1    2.322     0.005   .   1   .   362    .   .   42    GLU   HG2    .   25956   1
      388    .   1   1   42    42    GLU   HG3    H   1    2.322     0.005   .   1   .   363    .   .   42    GLU   HG3    .   25956   1
      389    .   1   1   42    42    GLU   C      C   13   178.258   .       .   1   .   355    .   .   42    GLU   C      .   25956   1
      390    .   1   1   42    42    GLU   CA     C   13   58.900    0.032   .   1   .   356    .   .   42    GLU   CA     .   25956   1
      391    .   1   1   42    42    GLU   CB     C   13   29.470    .       .   1   .   357    .   .   42    GLU   CB     .   25956   1
      392    .   1   1   42    42    GLU   N      N   15   120.055   0.075   .   1   .   364    .   .   42    GLU   N      .   25956   1
      393    .   1   1   43    43    GLU   H      H   1    8.013     0.006   .   1   .   369    .   .   43    GLU   H      .   25956   1
      394    .   1   1   43    43    GLU   HA     H   1    4.207     0.011   .   1   .   370    .   .   43    GLU   HA     .   25956   1
      395    .   1   1   43    43    GLU   HB2    H   1    1.996     0.008   .   2   .   371    .   .   43    GLU   HB2    .   25956   1
      396    .   1   1   43    43    GLU   HB3    H   1    2.069     0.005   .   2   .   372    .   .   43    GLU   HB3    .   25956   1
      397    .   1   1   43    43    GLU   HG2    H   1    2.248     0.007   .   2   .   373    .   .   43    GLU   HG2    .   25956   1
      398    .   1   1   43    43    GLU   HG3    H   1    2.251     0.007   .   2   .   374    .   .   43    GLU   HG3    .   25956   1
      399    .   1   1   43    43    GLU   C      C   13   177.299   .       .   1   .   365    .   .   43    GLU   C      .   25956   1
      400    .   1   1   43    43    GLU   CA     C   13   57.420    0.156   .   1   .   366    .   .   43    GLU   CA     .   25956   1
      401    .   1   1   43    43    GLU   CB     C   13   29.989    0.02    .   1   .   367    .   .   43    GLU   CB     .   25956   1
      402    .   1   1   43    43    GLU   CG     C   13   36.123    0.019   .   1   .   368    .   .   43    GLU   CG     .   25956   1
      403    .   1   1   43    43    GLU   N      N   15   118.255   0.078   .   1   .   375    .   .   43    GLU   N      .   25956   1
      404    .   1   1   44    44    SER   H      H   1    7.909     0.013   .   1   .   379    .   .   44    SER   H      .   25956   1
      405    .   1   1   44    44    SER   HA     H   1    4.490     0.009   .   1   .   380    .   .   44    SER   HA     .   25956   1
      406    .   1   1   44    44    SER   HB2    H   1    3.817     0.018   .   2   .   381    .   .   44    SER   HB2    .   25956   1
      407    .   1   1   44    44    SER   HB3    H   1    3.850     0.034   .   2   .   382    .   .   44    SER   HB3    .   25956   1
      408    .   1   1   44    44    SER   C      C   13   174.707   .       .   1   .   376    .   .   44    SER   C      .   25956   1
      409    .   1   1   44    44    SER   CA     C   13   58.924    0.012   .   1   .   377    .   .   44    SER   CA     .   25956   1
      410    .   1   1   44    44    SER   CB     C   13   63.741    .       .   1   .   378    .   .   44    SER   CB     .   25956   1
      411    .   1   1   44    44    SER   N      N   15   113.187   0.144   .   1   .   383    .   .   44    SER   N      .   25956   1
      412    .   1   1   45    45    SER   H      H   1    8.100     0.016   .   1   .   387    .   .   45    SER   H      .   25956   1
      413    .   1   1   45    45    SER   HA     H   1    4.288     0.002   .   1   .   388    .   .   45    SER   HA     .   25956   1
      414    .   1   1   45    45    SER   HB2    H   1    3.805     0.007   .   2   .   389    .   .   45    SER   HB2    .   25956   1
      415    .   1   1   45    45    SER   HB3    H   1    3.928     .       .   2   .   390    .   .   45    SER   HB3    .   25956   1
      416    .   1   1   45    45    SER   C      C   13   175.373   .       .   1   .   384    .   .   45    SER   C      .   25956   1
      417    .   1   1   45    45    SER   CA     C   13   61.753    0.343   .   1   .   385    .   .   45    SER   CA     .   25956   1
      418    .   1   1   45    45    SER   CB     C   13   63.864    .       .   1   .   386    .   .   45    SER   CB     .   25956   1
      419    .   1   1   45    45    SER   N      N   15   118.617   0.049   .   1   .   391    .   .   45    SER   N      .   25956   1
      420    .   1   1   46    46    PRO   HA     H   1    4.405     0.003   .   1   .   395    .   .   46    PRO   HA     .   25956   1
      421    .   1   1   46    46    PRO   HB2    H   1    2.105     0.006   .   2   .   396    .   .   46    PRO   HB2    .   25956   1
      422    .   1   1   46    46    PRO   HB3    H   1    2.370     0.003   .   2   .   397    .   .   46    PRO   HB3    .   25956   1
      423    .   1   1   46    46    PRO   HG2    H   1    1.908     0.005   .   1   .   400    .   .   46    PRO   HG2    .   25956   1
      424    .   1   1   46    46    PRO   HG3    H   1    1.908     0.005   .   1   .   401    .   .   46    PRO   HG3    .   25956   1
      425    .   1   1   46    46    PRO   HD2    H   1    4.137     .       .   1   .   398    .   .   46    PRO   HD2    .   25956   1
      426    .   1   1   46    46    PRO   HD3    H   1    4.137     .       .   1   .   399    .   .   46    PRO   HD3    .   25956   1
      427    .   1   1   46    46    PRO   C      C   13   179.727   .       .   1   .   392    .   .   46    PRO   C      .   25956   1
      428    .   1   1   46    46    PRO   CA     C   13   65.803    0.242   .   1   .   393    .   .   46    PRO   CA     .   25956   1
      429    .   1   1   46    46    PRO   CB     C   13   31.400    .       .   1   .   394    .   .   46    PRO   CB     .   25956   1
      430    .   1   1   47    47    CYS   H      H   1    8.124     0.014   .   1   .   405    .   .   47    CYS   H      .   25956   1
      431    .   1   1   47    47    CYS   HA     H   1    4.479     0.005   .   1   .   406    .   .   47    CYS   HA     .   25956   1
      432    .   1   1   47    47    CYS   HB2    H   1    2.757     0.006   .   2   .   407    .   .   47    CYS   HB2    .   25956   1
      433    .   1   1   47    47    CYS   HB3    H   1    3.167     0.005   .   2   .   408    .   .   47    CYS   HB3    .   25956   1
      434    .   1   1   47    47    CYS   C      C   13   175.467   .       .   1   .   402    .   .   47    CYS   C      .   25956   1
      435    .   1   1   47    47    CYS   CA     C   13   58.450    0.087   .   1   .   403    .   .   47    CYS   CA     .   25956   1
      436    .   1   1   47    47    CYS   CB     C   13   38.478    0.235   .   1   .   404    .   .   47    CYS   CB     .   25956   1
      437    .   1   1   47    47    CYS   N      N   15   115.266   0.049   .   1   .   409    .   .   47    CYS   N      .   25956   1
      438    .   1   1   48    48    LEU   H      H   1    7.940     0.024   .   1   .   413    .   .   48    LEU   H      .   25956   1
      439    .   1   1   48    48    LEU   HA     H   1    4.184     0.006   .   1   .   414    .   .   48    LEU   HA     .   25956   1
      440    .   1   1   48    48    LEU   HB2    H   1    1.806     0.003   .   2   .   415    .   .   48    LEU   HB2    .   25956   1
      441    .   1   1   48    48    LEU   HB3    H   1    2.033     0.004   .   2   .   416    .   .   48    LEU   HB3    .   25956   1
      442    .   1   1   48    48    LEU   HG     H   1    1.066     0.007   .   1   .   419    .   .   48    LEU   HG     .   25956   1
      443    .   1   1   48    48    LEU   HD11   H   1    0.739     0.002   .   2   .   417    .   .   48    LEU   HD11   .   25956   1
      444    .   1   1   48    48    LEU   HD12   H   1    0.739     0.002   .   2   .   417    .   .   48    LEU   HD12   .   25956   1
      445    .   1   1   48    48    LEU   HD13   H   1    0.739     0.002   .   2   .   417    .   .   48    LEU   HD13   .   25956   1
      446    .   1   1   48    48    LEU   HD21   H   1    0.869     0.005   .   2   .   418    .   .   48    LEU   HD21   .   25956   1
      447    .   1   1   48    48    LEU   HD22   H   1    0.869     0.005   .   2   .   418    .   .   48    LEU   HD22   .   25956   1
      448    .   1   1   48    48    LEU   HD23   H   1    0.869     0.005   .   2   .   418    .   .   48    LEU   HD23   .   25956   1
      449    .   1   1   48    48    LEU   C      C   13   179.991   .       .   1   .   410    .   .   48    LEU   C      .   25956   1
      450    .   1   1   48    48    LEU   CA     C   13   57.484    0.191   .   1   .   411    .   .   48    LEU   CA     .   25956   1
      451    .   1   1   48    48    LEU   CB     C   13   41.334    0.212   .   1   .   412    .   .   48    LEU   CB     .   25956   1
      452    .   1   1   48    48    LEU   N      N   15   116.387   0.088   .   1   .   420    .   .   48    LEU   N      .   25956   1
      453    .   1   1   49    49    GLU   H      H   1    8.830     0.005   .   1   .   425    .   .   49    GLU   H      .   25956   1
      454    .   1   1   49    49    GLU   HA     H   1    4.309     0.005   .   1   .   426    .   .   49    GLU   HA     .   25956   1
      455    .   1   1   49    49    GLU   HB2    H   1    2.078     0.02    .   2   .   427    .   .   49    GLU   HB2    .   25956   1
      456    .   1   1   49    49    GLU   HB3    H   1    2.103     0.022   .   2   .   428    .   .   49    GLU   HB3    .   25956   1
      457    .   1   1   49    49    GLU   HG2    H   1    2.362     0.005   .   2   .   429    .   .   49    GLU   HG2    .   25956   1
      458    .   1   1   49    49    GLU   HG3    H   1    2.366     0.008   .   2   .   430    .   .   49    GLU   HG3    .   25956   1
      459    .   1   1   49    49    GLU   C      C   13   179.915   .       .   1   .   421    .   .   49    GLU   C      .   25956   1
      460    .   1   1   49    49    GLU   CA     C   13   59.043    0.052   .   1   .   422    .   .   49    GLU   CA     .   25956   1
      461    .   1   1   49    49    GLU   CB     C   13   29.474    .       .   1   .   423    .   .   49    GLU   CB     .   25956   1
      462    .   1   1   49    49    GLU   CG     C   13   36.482    .       .   1   .   424    .   .   49    GLU   CG     .   25956   1
      463    .   1   1   49    49    GLU   N      N   15   121.326   0.096   .   1   .   431    .   .   49    GLU   N      .   25956   1
      464    .   1   1   50    50    LYS   H      H   1    7.707     0.009   .   1   .   435    .   .   50    LYS   H      .   25956   1
      465    .   1   1   50    50    LYS   HA     H   1    3.954     0.005   .   1   .   436    .   .   50    LYS   HA     .   25956   1
      466    .   1   1   50    50    LYS   HB2    H   1    1.769     0.003   .   1   .   437    .   .   50    LYS   HB2    .   25956   1
      467    .   1   1   50    50    LYS   HB3    H   1    1.769     0.003   .   1   .   438    .   .   50    LYS   HB3    .   25956   1
      468    .   1   1   50    50    LYS   HD2    H   1    1.629     0.006   .   2   .   439    .   .   50    LYS   HD2    .   25956   1
      469    .   1   1   50    50    LYS   HD3    H   1    1.630     0.004   .   2   .   440    .   .   50    LYS   HD3    .   25956   1
      470    .   1   1   50    50    LYS   HE2    H   1    2.942     0.005   .   2   .   441    .   .   50    LYS   HE2    .   25956   1
      471    .   1   1   50    50    LYS   HE3    H   1    2.947     .       .   2   .   442    .   .   50    LYS   HE3    .   25956   1
      472    .   1   1   50    50    LYS   C      C   13   176.837   .       .   1   .   432    .   .   50    LYS   C      .   25956   1
      473    .   1   1   50    50    LYS   CA     C   13   58.780    0.194   .   1   .   433    .   .   50    LYS   CA     .   25956   1
      474    .   1   1   50    50    LYS   CB     C   13   32.143    0.305   .   1   .   434    .   .   50    LYS   CB     .   25956   1
      475    .   1   1   50    50    LYS   N      N   15   119.687   0.066   .   1   .   443    .   .   50    LYS   N      .   25956   1
      476    .   1   1   51    51    TYR   H      H   1    6.914     0.015   .   1   .   447    .   .   51    TYR   H      .   25956   1
      477    .   1   1   51    51    TYR   HA     H   1    4.764     0.003   .   1   .   448    .   .   51    TYR   HA     .   25956   1
      478    .   1   1   51    51    TYR   HB2    H   1    2.398     0.006   .   2   .   449    .   .   51    TYR   HB2    .   25956   1
      479    .   1   1   51    51    TYR   HB3    H   1    3.470     0.004   .   2   .   450    .   .   51    TYR   HB3    .   25956   1
      480    .   1   1   51    51    TYR   HD1    H   1    7.275     0.01    .   1   .   451    .   .   51    TYR   HD1    .   25956   1
      481    .   1   1   51    51    TYR   HD2    H   1    7.275     0.01    .   1   .   452    .   .   51    TYR   HD2    .   25956   1
      482    .   1   1   51    51    TYR   HE1    H   1    6.768     0.002   .   1   .   453    .   .   51    TYR   HE1    .   25956   1
      483    .   1   1   51    51    TYR   HE2    H   1    6.768     0.002   .   1   .   454    .   .   51    TYR   HE2    .   25956   1
      484    .   1   1   51    51    TYR   C      C   13   175.511   .       .   1   .   444    .   .   51    TYR   C      .   25956   1
      485    .   1   1   51    51    TYR   CA     C   13   57.489    0.007   .   1   .   445    .   .   51    TYR   CA     .   25956   1
      486    .   1   1   51    51    TYR   CB     C   13   40.155    0.144   .   1   .   446    .   .   51    TYR   CB     .   25956   1
      487    .   1   1   51    51    TYR   N      N   15   113.315   0.065   .   1   .   455    .   .   51    TYR   N      .   25956   1
      488    .   1   1   52    52    GLY   H      H   1    7.939     0.005   .   1   .   458    .   .   52    GLY   H      .   25956   1
      489    .   1   1   52    52    GLY   HA2    H   1    3.972     0.013   .   2   .   459    .   .   52    GLY   HA2    .   25956   1
      490    .   1   1   52    52    GLY   HA3    H   1    4.251     0.006   .   2   .   460    .   .   52    GLY   HA3    .   25956   1
      491    .   1   1   52    52    GLY   C      C   13   176.366   .       .   1   .   456    .   .   52    GLY   C      .   25956   1
      492    .   1   1   52    52    GLY   CA     C   13   47.268    0.137   .   1   .   457    .   .   52    GLY   CA     .   25956   1
      493    .   1   1   52    52    GLY   N      N   15   109.045   0.039   .   1   .   461    .   .   52    GLY   N      .   25956   1
      494    .   1   1   53    53    LEU   H      H   1    8.131     0.011   .   1   .   465    .   .   53    LEU   H      .   25956   1
      495    .   1   1   53    53    LEU   HA     H   1    4.534     0.015   .   1   .   466    .   .   53    LEU   HA     .   25956   1
      496    .   1   1   53    53    LEU   HB2    H   1    1.691     0.01    .   2   .   467    .   .   53    LEU   HB2    .   25956   1
      497    .   1   1   53    53    LEU   HB3    H   1    1.693     0.009   .   2   .   468    .   .   53    LEU   HB3    .   25956   1
      498    .   1   1   53    53    LEU   HG     H   1    1.696     0.007   .   1   .   471    .   .   53    LEU   HG     .   25956   1
      499    .   1   1   53    53    LEU   HD11   H   1    0.763     0.008   .   2   .   469    .   .   53    LEU   HD11   .   25956   1
      500    .   1   1   53    53    LEU   HD12   H   1    0.763     0.008   .   2   .   469    .   .   53    LEU   HD12   .   25956   1
      501    .   1   1   53    53    LEU   HD13   H   1    0.763     0.008   .   2   .   469    .   .   53    LEU   HD13   .   25956   1
      502    .   1   1   53    53    LEU   HD21   H   1    0.874     0.005   .   2   .   470    .   .   53    LEU   HD21   .   25956   1
      503    .   1   1   53    53    LEU   HD22   H   1    0.874     0.005   .   2   .   470    .   .   53    LEU   HD22   .   25956   1
      504    .   1   1   53    53    LEU   HD23   H   1    0.874     0.005   .   2   .   470    .   .   53    LEU   HD23   .   25956   1
      505    .   1   1   53    53    LEU   C      C   13   176.502   .       .   1   .   462    .   .   53    LEU   C      .   25956   1
      506    .   1   1   53    53    LEU   CA     C   13   54.520    0.038   .   1   .   463    .   .   53    LEU   CA     .   25956   1
      507    .   1   1   53    53    LEU   CB     C   13   46.104    0.037   .   1   .   464    .   .   53    LEU   CB     .   25956   1
      508    .   1   1   53    53    LEU   N      N   15   116.564   0.036   .   1   .   472    .   .   53    LEU   N      .   25956   1
      509    .   1   1   54    54    GLU   H      H   1    8.483     0.027   .   1   .   477    .   .   54    GLU   H      .   25956   1
      510    .   1   1   54    54    GLU   HA     H   1    3.769     0.007   .   1   .   478    .   .   54    GLU   HA     .   25956   1
      511    .   1   1   54    54    GLU   HB2    H   1    1.849     0.005   .   2   .   479    .   .   54    GLU   HB2    .   25956   1
      512    .   1   1   54    54    GLU   HB3    H   1    1.852     0.004   .   2   .   480    .   .   54    GLU   HB3    .   25956   1
      513    .   1   1   54    54    GLU   HG2    H   1    2.109     0.007   .   2   .   481    .   .   54    GLU   HG2    .   25956   1
      514    .   1   1   54    54    GLU   HG3    H   1    2.113     0.007   .   2   .   482    .   .   54    GLU   HG3    .   25956   1
      515    .   1   1   54    54    GLU   C      C   13   177.288   .       .   1   .   473    .   .   54    GLU   C      .   25956   1
      516    .   1   1   54    54    GLU   CA     C   13   61.159    0.162   .   1   .   474    .   .   54    GLU   CA     .   25956   1
      517    .   1   1   54    54    GLU   CB     C   13   29.141    0.013   .   1   .   475    .   .   54    GLU   CB     .   25956   1
      518    .   1   1   54    54    GLU   CG     C   13   35.802    .       .   1   .   476    .   .   54    GLU   CG     .   25956   1
      519    .   1   1   54    54    GLU   N      N   15   122.021   0.05    .   1   .   483    .   .   54    GLU   N      .   25956   1
      520    .   1   1   55    55    GLN   H      H   1    8.329     0.021   .   1   .   488    .   .   55    GLN   H      .   25956   1
      521    .   1   1   55    55    GLN   HA     H   1    3.992     0.005   .   1   .   489    .   .   55    GLN   HA     .   25956   1
      522    .   1   1   55    55    GLN   HB2    H   1    2.052     0.005   .   1   .   490    .   .   55    GLN   HB2    .   25956   1
      523    .   1   1   55    55    GLN   HB3    H   1    2.052     0.005   .   1   .   491    .   .   55    GLN   HB3    .   25956   1
      524    .   1   1   55    55    GLN   HG2    H   1    2.441     0.023   .   2   .   492    .   .   55    GLN   HG2    .   25956   1
      525    .   1   1   55    55    GLN   HG3    H   1    2.442     0.025   .   2   .   493    .   .   55    GLN   HG3    .   25956   1
      526    .   1   1   55    55    GLN   C      C   13   178.762   .       .   1   .   484    .   .   55    GLN   C      .   25956   1
      527    .   1   1   55    55    GLN   CA     C   13   58.907    0.007   .   1   .   485    .   .   55    GLN   CA     .   25956   1
      528    .   1   1   55    55    GLN   CB     C   13   27.786    0.013   .   1   .   486    .   .   55    GLN   CB     .   25956   1
      529    .   1   1   55    55    GLN   CG     C   13   33.921    .       .   1   .   487    .   .   55    GLN   CG     .   25956   1
      530    .   1   1   55    55    GLN   N      N   15   117.553   0.057   .   1   .   494    .   .   55    GLN   N      .   25956   1
      531    .   1   1   56    56    ALA   H      H   1    8.385     0.015   .   1   .   498    .   .   56    ALA   H      .   25956   1
      532    .   1   1   56    56    ALA   HA     H   1    3.996     0.014   .   1   .   499    .   .   56    ALA   HA     .   25956   1
      533    .   1   1   56    56    ALA   HB1    H   1    1.328     0.007   .   1   .   500    .   .   56    ALA   HB1    .   25956   1
      534    .   1   1   56    56    ALA   HB2    H   1    1.328     0.007   .   1   .   500    .   .   56    ALA   HB2    .   25956   1
      535    .   1   1   56    56    ALA   HB3    H   1    1.328     0.007   .   1   .   500    .   .   56    ALA   HB3    .   25956   1
      536    .   1   1   56    56    ALA   C      C   13   179.162   .       .   1   .   495    .   .   56    ALA   C      .   25956   1
      537    .   1   1   56    56    ALA   CA     C   13   54.870    0.133   .   1   .   496    .   .   56    ALA   CA     .   25956   1
      538    .   1   1   56    56    ALA   CB     C   13   19.002    0.017   .   1   .   497    .   .   56    ALA   CB     .   25956   1
      539    .   1   1   56    56    ALA   N      N   15   122.088   0.045   .   1   .   501    .   .   56    ALA   N      .   25956   1
      540    .   1   1   57    57    VAL   H      H   1    8.095     0.016   .   1   .   505    .   .   57    VAL   H      .   25956   1
      541    .   1   1   57    57    VAL   HA     H   1    3.512     0.009   .   1   .   506    .   .   57    VAL   HA     .   25956   1
      542    .   1   1   57    57    VAL   HB     H   1    2.117     0.007   .   1   .   507    .   .   57    VAL   HB     .   25956   1
      543    .   1   1   57    57    VAL   HG11   H   1    0.847     0.015   .   2   .   508    .   .   57    VAL   HG11   .   25956   1
      544    .   1   1   57    57    VAL   HG12   H   1    0.847     0.015   .   2   .   508    .   .   57    VAL   HG12   .   25956   1
      545    .   1   1   57    57    VAL   HG13   H   1    0.847     0.015   .   2   .   508    .   .   57    VAL   HG13   .   25956   1
      546    .   1   1   57    57    VAL   HG21   H   1    1.074     0.006   .   2   .   509    .   .   57    VAL   HG21   .   25956   1
      547    .   1   1   57    57    VAL   HG22   H   1    1.074     0.006   .   2   .   509    .   .   57    VAL   HG22   .   25956   1
      548    .   1   1   57    57    VAL   HG23   H   1    1.074     0.006   .   2   .   509    .   .   57    VAL   HG23   .   25956   1
      549    .   1   1   57    57    VAL   C      C   13   177.309   .       .   1   .   502    .   .   57    VAL   C      .   25956   1
      550    .   1   1   57    57    VAL   CA     C   13   66.889    0.248   .   1   .   503    .   .   57    VAL   CA     .   25956   1
      551    .   1   1   57    57    VAL   CB     C   13   31.183    0.032   .   1   .   504    .   .   57    VAL   CB     .   25956   1
      552    .   1   1   57    57    VAL   N      N   15   115.013   0.081   .   1   .   510    .   .   57    VAL   N      .   25956   1
      553    .   1   1   58    58    LYS   H      H   1    7.899     0.006   .   1   .   514    .   .   58    LYS   H      .   25956   1
      554    .   1   1   58    58    LYS   HA     H   1    3.627     0.02    .   1   .   515    .   .   58    LYS   HA     .   25956   1
      555    .   1   1   58    58    LYS   HB2    H   1    1.814     0.015   .   2   .   516    .   .   58    LYS   HB2    .   25956   1
      556    .   1   1   58    58    LYS   HB3    H   1    1.846     0.029   .   2   .   517    .   .   58    LYS   HB3    .   25956   1
      557    .   1   1   58    58    LYS   HG2    H   1    1.233     0.008   .   2   .   522    .   .   58    LYS   HG2    .   25956   1
      558    .   1   1   58    58    LYS   HG3    H   1    1.344     0.011   .   2   .   523    .   .   58    LYS   HG3    .   25956   1
      559    .   1   1   58    58    LYS   HD2    H   1    1.575     0.003   .   2   .   518    .   .   58    LYS   HD2    .   25956   1
      560    .   1   1   58    58    LYS   HD3    H   1    1.576     0.003   .   2   .   519    .   .   58    LYS   HD3    .   25956   1
      561    .   1   1   58    58    LYS   HE2    H   1    2.818     0.004   .   1   .   520    .   .   58    LYS   HE2    .   25956   1
      562    .   1   1   58    58    LYS   HE3    H   1    2.818     0.004   .   1   .   521    .   .   58    LYS   HE3    .   25956   1
      563    .   1   1   58    58    LYS   C      C   13   178.517   .       .   1   .   511    .   .   58    LYS   C      .   25956   1
      564    .   1   1   58    58    LYS   CA     C   13   60.270    0.01    .   1   .   512    .   .   58    LYS   CA     .   25956   1
      565    .   1   1   58    58    LYS   CB     C   13   32.026    0.048   .   1   .   513    .   .   58    LYS   CB     .   25956   1
      566    .   1   1   58    58    LYS   N      N   15   119.212   0.081   .   1   .   524    .   .   58    LYS   N      .   25956   1
      567    .   1   1   59    59    LYS   H      H   1    7.409     0.006   .   1   .   528    .   .   59    LYS   H      .   25956   1
      568    .   1   1   59    59    LYS   HA     H   1    4.001     0.01    .   1   .   529    .   .   59    LYS   HA     .   25956   1
      569    .   1   1   59    59    LYS   HB2    H   1    1.784     0.008   .   2   .   530    .   .   59    LYS   HB2    .   25956   1
      570    .   1   1   59    59    LYS   HB3    H   1    1.927     0.005   .   2   .   531    .   .   59    LYS   HB3    .   25956   1
      571    .   1   1   59    59    LYS   HG2    H   1    1.400     0.001   .   2   .   535    .   .   59    LYS   HG2    .   25956   1
      572    .   1   1   59    59    LYS   HG3    H   1    1.406     0.006   .   2   .   536    .   .   59    LYS   HG3    .   25956   1
      573    .   1   1   59    59    LYS   HD2    H   1    1.608     0.001   .   2   .   532    .   .   59    LYS   HD2    .   25956   1
      574    .   1   1   59    59    LYS   HD3    H   1    1.609     0.002   .   2   .   533    .   .   59    LYS   HD3    .   25956   1
      575    .   1   1   59    59    LYS   HE2    H   1    2.924     0.01    .   1   .   534    .   .   59    LYS   HE2    .   25956   1
      576    .   1   1   59    59    LYS   C      C   13   178.236   .       .   1   .   525    .   .   59    LYS   C      .   25956   1
      577    .   1   1   59    59    LYS   CA     C   13   58.755    0.26    .   1   .   526    .   .   59    LYS   CA     .   25956   1
      578    .   1   1   59    59    LYS   CB     C   13   32.582    .       .   1   .   527    .   .   59    LYS   CB     .   25956   1
      579    .   1   1   59    59    LYS   N      N   15   116.129   0.023   .   1   .   537    .   .   59    LYS   N      .   25956   1
      580    .   1   1   60    60    LEU   H      H   1    7.727     0.01    .   1   .   541    .   .   60    LEU   H      .   25956   1
      581    .   1   1   60    60    LEU   HA     H   1    4.127     0.007   .   1   .   542    .   .   60    LEU   HA     .   25956   1
      582    .   1   1   60    60    LEU   HB2    H   1    1.855     0.009   .   2   .   543    .   .   60    LEU   HB2    .   25956   1
      583    .   1   1   60    60    LEU   HB3    H   1    1.978     0.003   .   2   .   544    .   .   60    LEU   HB3    .   25956   1
      584    .   1   1   60    60    LEU   HG     H   1    1.510     0.006   .   1   .   547    .   .   60    LEU   HG     .   25956   1
      585    .   1   1   60    60    LEU   HD11   H   1    0.809     0.008   .   2   .   545    .   .   60    LEU   HD11   .   25956   1
      586    .   1   1   60    60    LEU   HD12   H   1    0.809     0.008   .   2   .   545    .   .   60    LEU   HD12   .   25956   1
      587    .   1   1   60    60    LEU   HD13   H   1    0.809     0.008   .   2   .   545    .   .   60    LEU   HD13   .   25956   1
      588    .   1   1   60    60    LEU   HD21   H   1    0.827     0.003   .   2   .   546    .   .   60    LEU   HD21   .   25956   1
      589    .   1   1   60    60    LEU   HD22   H   1    0.827     0.003   .   2   .   546    .   .   60    LEU   HD22   .   25956   1
      590    .   1   1   60    60    LEU   HD23   H   1    0.827     0.003   .   2   .   546    .   .   60    LEU   HD23   .   25956   1
      591    .   1   1   60    60    LEU   C      C   13   178.597   .       .   1   .   538    .   .   60    LEU   C      .   25956   1
      592    .   1   1   60    60    LEU   CA     C   13   57.356    0.152   .   1   .   539    .   .   60    LEU   CA     .   25956   1
      593    .   1   1   60    60    LEU   CB     C   13   42.624    0.025   .   1   .   540    .   .   60    LEU   CB     .   25956   1
      594    .   1   1   60    60    LEU   N      N   15   117.757   0.069   .   1   .   548    .   .   60    LEU   N      .   25956   1
      595    .   1   1   61    61    VAL   H      H   1    7.990     0.009   .   1   .   552    .   .   61    VAL   H      .   25956   1
      596    .   1   1   61    61    VAL   HA     H   1    3.981     0.019   .   1   .   553    .   .   61    VAL   HA     .   25956   1
      597    .   1   1   61    61    VAL   HB     H   1    2.101     0.014   .   1   .   554    .   .   61    VAL   HB     .   25956   1
      598    .   1   1   61    61    VAL   HG11   H   1    0.796     0.01    .   2   .   555    .   .   61    VAL   HG11   .   25956   1
      599    .   1   1   61    61    VAL   HG12   H   1    0.796     0.01    .   2   .   555    .   .   61    VAL   HG12   .   25956   1
      600    .   1   1   61    61    VAL   HG13   H   1    0.796     0.01    .   2   .   555    .   .   61    VAL   HG13   .   25956   1
      601    .   1   1   61    61    VAL   HG21   H   1    0.814     0.015   .   2   .   556    .   .   61    VAL   HG21   .   25956   1
      602    .   1   1   61    61    VAL   HG22   H   1    0.814     0.015   .   2   .   556    .   .   61    VAL   HG22   .   25956   1
      603    .   1   1   61    61    VAL   HG23   H   1    0.814     0.015   .   2   .   556    .   .   61    VAL   HG23   .   25956   1
      604    .   1   1   61    61    VAL   C      C   13   176.437   .       .   1   .   549    .   .   61    VAL   C      .   25956   1
      605    .   1   1   61    61    VAL   CA     C   13   63.611    0.304   .   1   .   550    .   .   61    VAL   CA     .   25956   1
      606    .   1   1   61    61    VAL   CB     C   13   31.953    0.015   .   1   .   551    .   .   61    VAL   CB     .   25956   1
      607    .   1   1   61    61    VAL   N      N   15   114.724   0.065   .   1   .   557    .   .   61    VAL   N      .   25956   1
      608    .   1   1   62    62    LYS   H      H   1    7.705     0.007   .   1   .   563    .   .   62    LYS   H      .   25956   1
      609    .   1   1   62    62    LYS   HA     H   1    4.286     0.014   .   1   .   564    .   .   62    LYS   HA     .   25956   1
      610    .   1   1   62    62    LYS   HB2    H   1    1.635     0.007   .   2   .   565    .   .   62    LYS   HB2    .   25956   1
      611    .   1   1   62    62    LYS   HB3    H   1    1.821     0.007   .   2   .   566    .   .   62    LYS   HB3    .   25956   1
      612    .   1   1   62    62    LYS   HG2    H   1    1.397     0.011   .   2   .   571    .   .   62    LYS   HG2    .   25956   1
      613    .   1   1   62    62    LYS   HG3    H   1    1.398     0.011   .   2   .   572    .   .   62    LYS   HG3    .   25956   1
      614    .   1   1   62    62    LYS   HD2    H   1    1.435     0.015   .   2   .   567    .   .   62    LYS   HD2    .   25956   1
      615    .   1   1   62    62    LYS   HD3    H   1    1.445     0.018   .   2   .   568    .   .   62    LYS   HD3    .   25956   1
      616    .   1   1   62    62    LYS   HE2    H   1    1.831     0.001   .   2   .   569    .   .   62    LYS   HE2    .   25956   1
      617    .   1   1   62    62    LYS   HE3    H   1    2.925     0.009   .   2   .   570    .   .   62    LYS   HE3    .   25956   1
      618    .   1   1   62    62    LYS   HZ1    H   1    7.998     .       .   1   .   573    .   .   62    LYS   HZ1    .   25956   1
      619    .   1   1   62    62    LYS   HZ2    H   1    7.998     .       .   1   .   573    .   .   62    LYS   HZ2    .   25956   1
      620    .   1   1   62    62    LYS   HZ3    H   1    7.998     .       .   1   .   573    .   .   62    LYS   HZ3    .   25956   1
      621    .   1   1   62    62    LYS   C      C   13   176.664   .       .   1   .   558    .   .   62    LYS   C      .   25956   1
      622    .   1   1   62    62    LYS   CA     C   13   56.385    0.105   .   1   .   559    .   .   62    LYS   CA     .   25956   1
      623    .   1   1   62    62    LYS   CB     C   13   31.945    0.024   .   1   .   560    .   .   62    LYS   CB     .   25956   1
      624    .   1   1   62    62    LYS   CG     C   13   24.609    .       .   1   .   562    .   .   62    LYS   CG     .   25956   1
      625    .   1   1   62    62    LYS   CE     C   13   42.174    0.15    .   1   .   561    .   .   62    LYS   CE     .   25956   1
      626    .   1   1   62    62    LYS   N      N   15   120.236   0.082   .   1   .   574    .   .   62    LYS   N      .   25956   1
      627    .   1   1   63    63    ARG   H      H   1    8.019     0.011   .   1   .   580    .   .   63    ARG   H      .   25956   1
      628    .   1   1   63    63    ARG   HA     H   1    4.257     0.006   .   1   .   581    .   .   63    ARG   HA     .   25956   1
      629    .   1   1   63    63    ARG   HB2    H   1    1.824     0.004   .   2   .   582    .   .   63    ARG   HB2    .   25956   1
      630    .   1   1   63    63    ARG   HB3    H   1    1.888     0.005   .   2   .   583    .   .   63    ARG   HB3    .   25956   1
      631    .   1   1   63    63    ARG   HG2    H   1    1.649     0.005   .   1   .   586    .   .   63    ARG   HG2    .   25956   1
      632    .   1   1   63    63    ARG   HG3    H   1    1.649     0.005   .   1   .   587    .   .   63    ARG   HG3    .   25956   1
      633    .   1   1   63    63    ARG   HD2    H   1    3.201     0.004   .   1   .   584    .   .   63    ARG   HD2    .   25956   1
      634    .   1   1   63    63    ARG   HD3    H   1    3.201     0.004   .   1   .   585    .   .   63    ARG   HD3    .   25956   1
      635    .   1   1   63    63    ARG   C      C   13   176.655   .       .   1   .   575    .   .   63    ARG   C      .   25956   1
      636    .   1   1   63    63    ARG   CA     C   13   56.720    0.011   .   1   .   576    .   .   63    ARG   CA     .   25956   1
      637    .   1   1   63    63    ARG   CB     C   13   29.995    0.012   .   1   .   577    .   .   63    ARG   CB     .   25956   1
      638    .   1   1   63    63    ARG   CG     C   13   27.774    0.115   .   1   .   579    .   .   63    ARG   CG     .   25956   1
      639    .   1   1   63    63    ARG   CD     C   13   43.448    0.046   .   1   .   578    .   .   63    ARG   CD     .   25956   1
      640    .   1   1   63    63    ARG   N      N   15   121.112   0.072   .   1   .   588    .   .   63    ARG   N      .   25956   1
      641    .   1   1   64    64    ALA   H      H   1    8.274     0.013   .   1   .   592    .   .   64    ALA   H      .   25956   1
      642    .   1   1   64    64    ALA   HA     H   1    4.336     0.007   .   1   .   593    .   .   64    ALA   HA     .   25956   1
      643    .   1   1   64    64    ALA   HB1    H   1    1.404     0.002   .   1   .   594    .   .   64    ALA   HB1    .   25956   1
      644    .   1   1   64    64    ALA   HB2    H   1    1.404     0.002   .   1   .   594    .   .   64    ALA   HB2    .   25956   1
      645    .   1   1   64    64    ALA   HB3    H   1    1.404     0.002   .   1   .   594    .   .   64    ALA   HB3    .   25956   1
      646    .   1   1   64    64    ALA   C      C   13   177.405   .       .   1   .   589    .   .   64    ALA   C      .   25956   1
      647    .   1   1   64    64    ALA   CA     C   13   52.375    0.21    .   1   .   590    .   .   64    ALA   CA     .   25956   1
      648    .   1   1   64    64    ALA   CB     C   13   19.350    0.021   .   1   .   591    .   .   64    ALA   CB     .   25956   1
      649    .   1   1   64    64    ALA   N      N   15   124.581   0.052   .   1   .   595    .   .   64    ALA   N      .   25956   1
      650    .   1   1   65    65    ALA   H      H   1    8.220     0.02    .   1   .   599    .   .   65    ALA   H      .   25956   1
      651    .   1   1   65    65    ALA   HA     H   1    4.324     0.02    .   1   .   600    .   .   65    ALA   HA     .   25956   1
      652    .   1   1   65    65    ALA   HB1    H   1    1.404     0.004   .   1   .   601    .   .   65    ALA   HB1    .   25956   1
      653    .   1   1   65    65    ALA   HB2    H   1    1.404     0.004   .   1   .   601    .   .   65    ALA   HB2    .   25956   1
      654    .   1   1   65    65    ALA   HB3    H   1    1.404     0.004   .   1   .   601    .   .   65    ALA   HB3    .   25956   1
      655    .   1   1   65    65    ALA   C      C   13   178.338   .       .   1   .   596    .   .   65    ALA   C      .   25956   1
      656    .   1   1   65    65    ALA   CA     C   13   52.641    0.139   .   1   .   597    .   .   65    ALA   CA     .   25956   1
      657    .   1   1   65    65    ALA   CB     C   13   18.918    0.037   .   1   .   598    .   .   65    ALA   CB     .   25956   1
      658    .   1   1   65    65    ALA   N      N   15   122.568   0.09    .   1   .   602    .   .   65    ALA   N      .   25956   1
      659    .   1   1   66    66    GLY   H      H   1    8.401     0.01    .   1   .   605    .   .   66    GLY   H      .   25956   1
      660    .   1   1   66    66    GLY   HA2    H   1    3.923     0.006   .   2   .   606    .   .   66    GLY   HA2    .   25956   1
      661    .   1   1   66    66    GLY   HA3    H   1    4.037     0.003   .   2   .   607    .   .   66    GLY   HA3    .   25956   1
      662    .   1   1   66    66    GLY   C      C   13   174.403   .       .   1   .   603    .   .   66    GLY   C      .   25956   1
      663    .   1   1   66    66    GLY   CA     C   13   45.505    0.162   .   1   .   604    .   .   66    GLY   CA     .   25956   1
      664    .   1   1   66    66    GLY   N      N   15   108.634   0.081   .   1   .   608    .   .   66    GLY   N      .   25956   1
      665    .   1   1   67    67    GLN   H      H   1    8.124     0.009   .   1   .   613    .   .   67    GLN   H      .   25956   1
      666    .   1   1   67    67    GLN   HA     H   1    4.350     0.004   .   1   .   614    .   .   67    GLN   HA     .   25956   1
      667    .   1   1   67    67    GLN   HB2    H   1    1.986     0.005   .   2   .   615    .   .   67    GLN   HB2    .   25956   1
      668    .   1   1   67    67    GLN   HB3    H   1    2.138     0.003   .   2   .   616    .   .   67    GLN   HB3    .   25956   1
      669    .   1   1   67    67    GLN   HG2    H   1    2.333     0.004   .   2   .   617    .   .   67    GLN   HG2    .   25956   1
      670    .   1   1   67    67    GLN   HG3    H   1    2.335     0.003   .   2   .   618    .   .   67    GLN   HG3    .   25956   1
      671    .   1   1   67    67    GLN   C      C   13   175.646   .       .   1   .   609    .   .   67    GLN   C      .   25956   1
      672    .   1   1   67    67    GLN   CA     C   13   55.779    0.116   .   1   .   610    .   .   67    GLN   CA     .   25956   1
      673    .   1   1   67    67    GLN   CB     C   13   29.608    0.214   .   1   .   611    .   .   67    GLN   CB     .   25956   1
      674    .   1   1   67    67    GLN   CG     C   13   34.275    0.057   .   1   .   612    .   .   67    GLN   CG     .   25956   1
      675    .   1   1   67    67    GLN   N      N   15   119.555   0.056   .   1   .   619    .   .   67    GLN   N      .   25956   1
      676    .   1   1   68    68    ASP   H      H   1    8.341     0.008   .   1   .   623    .   .   68    ASP   H      .   25956   1
      677    .   1   1   68    68    ASP   HA     H   1    4.592     0.007   .   1   .   624    .   .   68    ASP   HA     .   25956   1
      678    .   1   1   68    68    ASP   HB2    H   1    2.597     0.01    .   2   .   625    .   .   68    ASP   HB2    .   25956   1
      679    .   1   1   68    68    ASP   HB3    H   1    2.690     0.002   .   2   .   626    .   .   68    ASP   HB3    .   25956   1
      680    .   1   1   68    68    ASP   C      C   13   175.644   .       .   1   .   620    .   .   68    ASP   C      .   25956   1
      681    .   1   1   68    68    ASP   CA     C   13   54.438    0.003   .   1   .   621    .   .   68    ASP   CA     .   25956   1
      682    .   1   1   68    68    ASP   CB     C   13   41.430    0.118   .   1   .   622    .   .   68    ASP   CB     .   25956   1
      683    .   1   1   68    68    ASP   N      N   15   120.690   0.058   .   1   .   627    .   .   68    ASP   N      .   25956   1
      684    .   1   1   69    69    ASP   H      H   1    8.286     0.005   .   1   .   631    .   .   69    ASP   H      .   25956   1
      685    .   1   1   69    69    ASP   HA     H   1    4.597     0.004   .   1   .   632    .   .   69    ASP   HA     .   25956   1
      686    .   1   1   69    69    ASP   HB2    H   1    2.609     0.004   .   2   .   633    .   .   69    ASP   HB2    .   25956   1
      687    .   1   1   69    69    ASP   HB3    H   1    2.686     0.004   .   2   .   634    .   .   69    ASP   HB3    .   25956   1
      688    .   1   1   69    69    ASP   C      C   13   175.860   .       .   1   .   628    .   .   69    ASP   C      .   25956   1
      689    .   1   1   69    69    ASP   CA     C   13   54.032    .       .   1   .   629    .   .   69    ASP   CA     .   25956   1
      690    .   1   1   69    69    ASP   CB     C   13   41.243    .       .   1   .   630    .   .   69    ASP   CB     .   25956   1
      691    .   1   1   69    69    ASP   N      N   15   120.073   0.056   .   1   .   635    .   .   69    ASP   N      .   25956   1
      692    .   1   1   70    70    VAL   H      H   1    8.199     0.01    .   1   .   639    .   .   70    VAL   H      .   25956   1
      693    .   1   1   70    70    VAL   HA     H   1    4.353     0.003   .   1   .   640    .   .   70    VAL   HA     .   25956   1
      694    .   1   1   70    70    VAL   HB     H   1    2.073     0.01    .   1   .   641    .   .   70    VAL   HB     .   25956   1
      695    .   1   1   70    70    VAL   HG11   H   1    0.942     0.009   .   2   .   642    .   .   70    VAL   HG11   .   25956   1
      696    .   1   1   70    70    VAL   HG12   H   1    0.942     0.009   .   2   .   642    .   .   70    VAL   HG12   .   25956   1
      697    .   1   1   70    70    VAL   HG13   H   1    0.942     0.009   .   2   .   642    .   .   70    VAL   HG13   .   25956   1
      698    .   1   1   70    70    VAL   HG21   H   1    0.945     0.007   .   2   .   643    .   .   70    VAL   HG21   .   25956   1
      699    .   1   1   70    70    VAL   HG22   H   1    0.945     0.007   .   2   .   643    .   .   70    VAL   HG22   .   25956   1
      700    .   1   1   70    70    VAL   HG23   H   1    0.945     0.007   .   2   .   643    .   .   70    VAL   HG23   .   25956   1
      701    .   1   1   70    70    VAL   C      C   13   174.418   .       .   1   .   636    .   .   70    VAL   C      .   25956   1
      702    .   1   1   70    70    VAL   CA     C   13   59.830    0.227   .   1   .   637    .   .   70    VAL   CA     .   25956   1
      703    .   1   1   70    70    VAL   CB     C   13   32.647    0.007   .   1   .   638    .   .   70    VAL   CB     .   25956   1
      704    .   1   1   70    70    VAL   N      N   15   121.544   0.057   .   1   .   644    .   .   70    VAL   N      .   25956   1
      705    .   1   1   71    71    PRO   HA     H   1    4.429     0.004   .   1   .   649    .   .   71    PRO   HA     .   25956   1
      706    .   1   1   71    71    PRO   HB2    H   1    2.386     0.003   .   1   .   650    .   .   71    PRO   HB2    .   25956   1
      707    .   1   1   71    71    PRO   HB3    H   1    2.386     0.003   .   1   .   651    .   .   71    PRO   HB3    .   25956   1
      708    .   1   1   71    71    PRO   HG2    H   1    2.014     .       .   2   .   654    .   .   71    PRO   HG2    .   25956   1
      709    .   1   1   71    71    PRO   HG3    H   1    2.109     0.003   .   2   .   655    .   .   71    PRO   HG3    .   25956   1
      710    .   1   1   71    71    PRO   HD2    H   1    3.610     0.004   .   2   .   652    .   .   71    PRO   HD2    .   25956   1
      711    .   1   1   71    71    PRO   HD3    H   1    3.965     0.003   .   2   .   653    .   .   71    PRO   HD3    .   25956   1
      712    .   1   1   71    71    PRO   C      C   13   178.331   .       .   1   .   645    .   .   71    PRO   C      .   25956   1
      713    .   1   1   71    71    PRO   CA     C   13   63.346    0.16    .   1   .   646    .   .   71    PRO   CA     .   25956   1
      714    .   1   1   71    71    PRO   CB     C   13   32.438    0.262   .   1   .   647    .   .   71    PRO   CB     .   25956   1
      715    .   1   1   71    71    PRO   CD     C   13   50.916    0.178   .   1   .   648    .   .   71    PRO   CD     .   25956   1
      716    .   1   1   72    72    GLY   H      H   1    8.774     0.007   .   1   .   658    .   .   72    GLY   H      .   25956   1
      717    .   1   1   72    72    GLY   HA2    H   1    3.894     0.041   .   2   .   659    .   .   72    GLY   HA2    .   25956   1
      718    .   1   1   72    72    GLY   HA3    H   1    3.964     0.004   .   2   .   660    .   .   72    GLY   HA3    .   25956   1
      719    .   1   1   72    72    GLY   C      C   13   174.793   .       .   1   .   656    .   .   72    GLY   C      .   25956   1
      720    .   1   1   72    72    GLY   CA     C   13   46.661    .       .   1   .   657    .   .   72    GLY   CA     .   25956   1
      721    .   1   1   72    72    GLY   N      N   15   110.310   0.049   .   1   .   661    .   .   72    GLY   N      .   25956   1
      722    .   1   1   73    73    ASP   H      H   1    8.298     0.013   .   1   .   665    .   .   73    ASP   H      .   25956   1
      723    .   1   1   73    73    ASP   HA     H   1    4.659     0.005   .   1   .   666    .   .   73    ASP   HA     .   25956   1
      724    .   1   1   73    73    ASP   HB2    H   1    2.657     0.015   .   2   .   667    .   .   73    ASP   HB2    .   25956   1
      725    .   1   1   73    73    ASP   HB3    H   1    2.831     0.012   .   2   .   668    .   .   73    ASP   HB3    .   25956   1
      726    .   1   1   73    73    ASP   C      C   13   177.021   .       .   1   .   662    .   .   73    ASP   C      .   25956   1
      727    .   1   1   73    73    ASP   CA     C   13   53.851    0.31    .   1   .   663    .   .   73    ASP   CA     .   25956   1
      728    .   1   1   73    73    ASP   CB     C   13   40.549    0.154   .   1   .   664    .   .   73    ASP   CB     .   25956   1
      729    .   1   1   73    73    ASP   N      N   15   118.989   0.04    .   1   .   669    .   .   73    ASP   N      .   25956   1
      730    .   1   1   74    74    LEU   H      H   1    7.600     0.011   .   1   .   673    .   .   74    LEU   H      .   25956   1
      731    .   1   1   74    74    LEU   HA     H   1    4.023     0.005   .   1   .   674    .   .   74    LEU   HA     .   25956   1
      732    .   1   1   74    74    LEU   HB2    H   1    1.609     0.009   .   2   .   675    .   .   74    LEU   HB2    .   25956   1
      733    .   1   1   74    74    LEU   HB3    H   1    1.743     0.007   .   2   .   676    .   .   74    LEU   HB3    .   25956   1
      734    .   1   1   74    74    LEU   HG     H   1    1.568     0.016   .   1   .   679    .   .   74    LEU   HG     .   25956   1
      735    .   1   1   74    74    LEU   HD11   H   1    0.945     0.004   .   1   .   677    .   .   74    LEU   HD11   .   25956   1
      736    .   1   1   74    74    LEU   HD12   H   1    0.945     0.004   .   1   .   677    .   .   74    LEU   HD12   .   25956   1
      737    .   1   1   74    74    LEU   HD13   H   1    0.945     0.004   .   1   .   677    .   .   74    LEU   HD13   .   25956   1
      738    .   1   1   74    74    LEU   HD21   H   1    0.945     0.004   .   1   .   678    .   .   74    LEU   HD21   .   25956   1
      739    .   1   1   74    74    LEU   HD22   H   1    0.945     0.004   .   1   .   678    .   .   74    LEU   HD22   .   25956   1
      740    .   1   1   74    74    LEU   HD23   H   1    0.945     0.004   .   1   .   678    .   .   74    LEU   HD23   .   25956   1
      741    .   1   1   74    74    LEU   C      C   13   178.097   .       .   1   .   670    .   .   74    LEU   C      .   25956   1
      742    .   1   1   74    74    LEU   CA     C   13   58.290    0.002   .   1   .   671    .   .   74    LEU   CA     .   25956   1
      743    .   1   1   74    74    LEU   CB     C   13   41.989    0.045   .   1   .   672    .   .   74    LEU   CB     .   25956   1
      744    .   1   1   74    74    LEU   N      N   15   121.757   0.067   .   1   .   680    .   .   74    LEU   N      .   25956   1
      745    .   1   1   75    75    ARG   H      H   1    8.666     0.028   .   1   .   685    .   .   75    ARG   H      .   25956   1
      746    .   1   1   75    75    ARG   HA     H   1    3.670     0.005   .   1   .   686    .   .   75    ARG   HA     .   25956   1
      747    .   1   1   75    75    ARG   HB2    H   1    1.743     0.006   .   2   .   687    .   .   75    ARG   HB2    .   25956   1
      748    .   1   1   75    75    ARG   HB3    H   1    1.877     0.005   .   2   .   688    .   .   75    ARG   HB3    .   25956   1
      749    .   1   1   75    75    ARG   HG2    H   1    1.403     0.004   .   1   .   691    .   .   75    ARG   HG2    .   25956   1
      750    .   1   1   75    75    ARG   HG3    H   1    1.403     0.005   .   1   .   692    .   .   75    ARG   HG3    .   25956   1
      751    .   1   1   75    75    ARG   HD2    H   1    3.138     0.003   .   2   .   689    .   .   75    ARG   HD2    .   25956   1
      752    .   1   1   75    75    ARG   HD3    H   1    3.279     0.003   .   2   .   690    .   .   75    ARG   HD3    .   25956   1
      753    .   1   1   75    75    ARG   C      C   13   177.418   .       .   1   .   681    .   .   75    ARG   C      .   25956   1
      754    .   1   1   75    75    ARG   CA     C   13   60.361    0.213   .   1   .   682    .   .   75    ARG   CA     .   25956   1
      755    .   1   1   75    75    ARG   CB     C   13   29.510    0.034   .   1   .   683    .   .   75    ARG   CB     .   25956   1
      756    .   1   1   75    75    ARG   CG     C   13   28.964    .       .   1   .   684    .   .   75    ARG   CG     .   25956   1
      757    .   1   1   75    75    ARG   N      N   15   119.091   0.093   .   1   .   693    .   .   75    ARG   N      .   25956   1
      758    .   1   1   76    76    ALA   H      H   1    8.012     0.012   .   1   .   697    .   .   76    ALA   H      .   25956   1
      759    .   1   1   76    76    ALA   HA     H   1    4.067     0.005   .   1   .   698    .   .   76    ALA   HA     .   25956   1
      760    .   1   1   76    76    ALA   HB1    H   1    1.459     0.006   .   1   .   699    .   .   76    ALA   HB1    .   25956   1
      761    .   1   1   76    76    ALA   HB2    H   1    1.459     0.006   .   1   .   699    .   .   76    ALA   HB2    .   25956   1
      762    .   1   1   76    76    ALA   HB3    H   1    1.459     0.006   .   1   .   699    .   .   76    ALA   HB3    .   25956   1
      763    .   1   1   76    76    ALA   C      C   13   181.513   .       .   1   .   694    .   .   76    ALA   C      .   25956   1
      764    .   1   1   76    76    ALA   CA     C   13   55.045    0.1     .   1   .   695    .   .   76    ALA   CA     .   25956   1
      765    .   1   1   76    76    ALA   CB     C   13   18.005    0.002   .   1   .   696    .   .   76    ALA   CB     .   25956   1
      766    .   1   1   76    76    ALA   N      N   15   120.095   0.103   .   1   .   700    .   .   76    ALA   N      .   25956   1
      767    .   1   1   77    77    LYS   H      H   1    8.114     0.011   .   1   .   704    .   .   77    LYS   H      .   25956   1
      768    .   1   1   77    77    LYS   HA     H   1    4.082     0.011   .   1   .   705    .   .   77    LYS   HA     .   25956   1
      769    .   1   1   77    77    LYS   HB2    H   1    1.865     0.002   .   2   .   706    .   .   77    LYS   HB2    .   25956   1
      770    .   1   1   77    77    LYS   HB3    H   1    1.988     0.001   .   2   .   707    .   .   77    LYS   HB3    .   25956   1
      771    .   1   1   77    77    LYS   HG2    H   1    1.446     .       .   1   .   710    .   .   77    LYS   HG2    .   25956   1
      772    .   1   1   77    77    LYS   HG3    H   1    1.446     .       .   1   .   711    .   .   77    LYS   HG3    .   25956   1
      773    .   1   1   77    77    LYS   HD2    H   1    1.677     0.016   .   1   .   708    .   .   77    LYS   HD2    .   25956   1
      774    .   1   1   77    77    LYS   HD3    H   1    1.677     0.016   .   1   .   709    .   .   77    LYS   HD3    .   25956   1
      775    .   1   1   77    77    LYS   C      C   13   180.199   .       .   1   .   701    .   .   77    LYS   C      .   25956   1
      776    .   1   1   77    77    LYS   CA     C   13   59.563    0.012   .   1   .   702    .   .   77    LYS   CA     .   25956   1
      777    .   1   1   77    77    LYS   CB     C   13   32.546    0.02    .   1   .   703    .   .   77    LYS   CB     .   25956   1
      778    .   1   1   77    77    LYS   N      N   15   120.071   0.056   .   1   .   712    .   .   77    LYS   N      .   25956   1
      779    .   1   1   78    78    VAL   H      H   1    8.517     0.016   .   1   .   718    .   .   78    VAL   H      .   25956   1
      780    .   1   1   78    78    VAL   HA     H   1    3.479     0.013   .   1   .   719    .   .   78    VAL   HA     .   25956   1
      781    .   1   1   78    78    VAL   HB     H   1    2.086     0.026   .   1   .   720    .   .   78    VAL   HB     .   25956   1
      782    .   1   1   78    78    VAL   HG11   H   1    0.783     0.023   .   2   .   721    .   .   78    VAL   HG11   .   25956   1
      783    .   1   1   78    78    VAL   HG12   H   1    0.783     0.023   .   2   .   721    .   .   78    VAL   HG12   .   25956   1
      784    .   1   1   78    78    VAL   HG13   H   1    0.783     0.023   .   2   .   721    .   .   78    VAL   HG13   .   25956   1
      785    .   1   1   78    78    VAL   HG21   H   1    0.946     0.004   .   2   .   722    .   .   78    VAL   HG21   .   25956   1
      786    .   1   1   78    78    VAL   HG22   H   1    0.946     0.004   .   2   .   722    .   .   78    VAL   HG22   .   25956   1
      787    .   1   1   78    78    VAL   HG23   H   1    0.946     0.004   .   2   .   722    .   .   78    VAL   HG23   .   25956   1
      788    .   1   1   78    78    VAL   C      C   13   177.865   .       .   1   .   713    .   .   78    VAL   C      .   25956   1
      789    .   1   1   78    78    VAL   CA     C   13   66.888    0.306   .   1   .   714    .   .   78    VAL   CA     .   25956   1
      790    .   1   1   78    78    VAL   CB     C   13   31.353    0.189   .   1   .   715    .   .   78    VAL   CB     .   25956   1
      791    .   1   1   78    78    VAL   CG1    C   13   20.840    .       .   1   .   716    .   .   78    VAL   CG1    .   25956   1
      792    .   1   1   78    78    VAL   CG2    C   13   20.840    .       .   1   .   717    .   .   78    VAL   CG2    .   25956   1
      793    .   1   1   78    78    VAL   N      N   15   120.861   0.069   .   1   .   723    .   .   78    VAL   N      .   25956   1
      794    .   1   1   79    79    MET   H      H   1    8.634     0.013   .   1   .   727    .   .   79    MET   H      .   25956   1
      795    .   1   1   79    79    MET   HA     H   1    3.939     0.004   .   1   .   728    .   .   79    MET   HA     .   25956   1
      796    .   1   1   79    79    MET   HB2    H   1    1.988     0.008   .   2   .   729    .   .   79    MET   HB2    .   25956   1
      797    .   1   1   79    79    MET   HB3    H   1    2.176     0.004   .   2   .   730    .   .   79    MET   HB3    .   25956   1
      798    .   1   1   79    79    MET   HG2    H   1    2.556     0.006   .   1   .   732    .   .   79    MET   HG2    .   25956   1
      799    .   1   1   79    79    MET   HG3    H   1    2.556     0.006   .   1   .   733    .   .   79    MET   HG3    .   25956   1
      800    .   1   1   79    79    MET   HE1    H   1    1.983     0.007   .   1   .   731    .   .   79    MET   HE1    .   25956   1
      801    .   1   1   79    79    MET   HE2    H   1    1.983     0.007   .   1   .   731    .   .   79    MET   HE2    .   25956   1
      802    .   1   1   79    79    MET   HE3    H   1    1.983     0.007   .   1   .   731    .   .   79    MET   HE3    .   25956   1
      803    .   1   1   79    79    MET   C      C   13   178.102   .       .   1   .   724    .   .   79    MET   C      .   25956   1
      804    .   1   1   79    79    MET   CA     C   13   59.942    0.136   .   1   .   725    .   .   79    MET   CA     .   25956   1
      805    .   1   1   79    79    MET   CB     C   13   31.892    .       .   1   .   726    .   .   79    MET   CB     .   25956   1
      806    .   1   1   79    79    MET   N      N   15   118.548   0.065   .   1   .   734    .   .   79    MET   N      .   25956   1
      807    .   1   1   80    80    GLY   H      H   1    8.297     0.015   .   1   .   737    .   .   80    GLY   H      .   25956   1
      808    .   1   1   80    80    GLY   HA2    H   1    3.905     0.002   .   2   .   738    .   .   80    GLY   HA2    .   25956   1
      809    .   1   1   80    80    GLY   HA3    H   1    3.993     0.002   .   2   .   739    .   .   80    GLY   HA3    .   25956   1
      810    .   1   1   80    80    GLY   C      C   13   176.735   .       .   1   .   735    .   .   80    GLY   C      .   25956   1
      811    .   1   1   80    80    GLY   CA     C   13   47.060    0.003   .   1   .   736    .   .   80    GLY   CA     .   25956   1
      812    .   1   1   80    80    GLY   N      N   15   105.498   0.054   .   1   .   740    .   .   80    GLY   N      .   25956   1
      813    .   1   1   81    81    ARG   H      H   1    7.746     0.021   .   1   .   744    .   .   81    ARG   H      .   25956   1
      814    .   1   1   81    81    ARG   HA     H   1    4.234     0.008   .   1   .   745    .   .   81    ARG   HA     .   25956   1
      815    .   1   1   81    81    ARG   HB2    H   1    2.026     0.009   .   2   .   746    .   .   81    ARG   HB2    .   25956   1
      816    .   1   1   81    81    ARG   HB3    H   1    2.027     0.007   .   2   .   747    .   .   81    ARG   HB3    .   25956   1
      817    .   1   1   81    81    ARG   HG2    H   1    1.765     0.012   .   2   .   750    .   .   81    ARG   HG2    .   25956   1
      818    .   1   1   81    81    ARG   HG3    H   1    1.783     0.009   .   2   .   751    .   .   81    ARG   HG3    .   25956   1
      819    .   1   1   81    81    ARG   HD2    H   1    3.232     0.013   .   2   .   748    .   .   81    ARG   HD2    .   25956   1
      820    .   1   1   81    81    ARG   HD3    H   1    3.382     0.007   .   2   .   749    .   .   81    ARG   HD3    .   25956   1
      821    .   1   1   81    81    ARG   C      C   13   178.645   .       .   1   .   741    .   .   81    ARG   C      .   25956   1
      822    .   1   1   81    81    ARG   CA     C   13   58.752    0.025   .   1   .   742    .   .   81    ARG   CA     .   25956   1
      823    .   1   1   81    81    ARG   CB     C   13   28.892    0.273   .   1   .   743    .   .   81    ARG   CB     .   25956   1
      824    .   1   1   81    81    ARG   N      N   15   122.403   0.037   .   1   .   752    .   .   81    ARG   N      .   25956   1
      825    .   1   1   82    82    LEU   H      H   1    8.570     0.011   .   1   .   756    .   .   82    LEU   H      .   25956   1
      826    .   1   1   82    82    LEU   HA     H   1    3.981     0.015   .   1   .   757    .   .   82    LEU   HA     .   25956   1
      827    .   1   1   82    82    LEU   HB2    H   1    1.913     0.004   .   2   .   758    .   .   82    LEU   HB2    .   25956   1
      828    .   1   1   82    82    LEU   HB3    H   1    2.304     0.004   .   2   .   759    .   .   82    LEU   HB3    .   25956   1
      829    .   1   1   82    82    LEU   HG     H   1    1.527     0.006   .   1   .   762    .   .   82    LEU   HG     .   25956   1
      830    .   1   1   82    82    LEU   HD11   H   1    0.847     0.025   .   2   .   760    .   .   82    LEU   HD11   .   25956   1
      831    .   1   1   82    82    LEU   HD12   H   1    0.847     0.025   .   2   .   760    .   .   82    LEU   HD12   .   25956   1
      832    .   1   1   82    82    LEU   HD13   H   1    0.847     0.025   .   2   .   760    .   .   82    LEU   HD13   .   25956   1
      833    .   1   1   82    82    LEU   HD21   H   1    0.892     0.009   .   2   .   761    .   .   82    LEU   HD21   .   25956   1
      834    .   1   1   82    82    LEU   HD22   H   1    0.892     0.009   .   2   .   761    .   .   82    LEU   HD22   .   25956   1
      835    .   1   1   82    82    LEU   HD23   H   1    0.892     0.009   .   2   .   761    .   .   82    LEU   HD23   .   25956   1
      836    .   1   1   82    82    LEU   C      C   13   179.131   .       .   1   .   753    .   .   82    LEU   C      .   25956   1
      837    .   1   1   82    82    LEU   CA     C   13   58.346    0.164   .   1   .   754    .   .   82    LEU   CA     .   25956   1
      838    .   1   1   82    82    LEU   CB     C   13   41.963    .       .   1   .   755    .   .   82    LEU   CB     .   25956   1
      839    .   1   1   82    82    LEU   N      N   15   119.203   0.07    .   1   .   763    .   .   82    LEU   N      .   25956   1
      840    .   1   1   83    83    ASP   H      H   1    8.657     0.004   .   1   .   767    .   .   83    ASP   H      .   25956   1
      841    .   1   1   83    83    ASP   HA     H   1    4.371     0.008   .   1   .   768    .   .   83    ASP   HA     .   25956   1
      842    .   1   1   83    83    ASP   HB2    H   1    2.668     0.013   .   2   .   769    .   .   83    ASP   HB2    .   25956   1
      843    .   1   1   83    83    ASP   HB3    H   1    2.909     0.015   .   2   .   770    .   .   83    ASP   HB3    .   25956   1
      844    .   1   1   83    83    ASP   C      C   13   179.091   .       .   1   .   764    .   .   83    ASP   C      .   25956   1
      845    .   1   1   83    83    ASP   CA     C   13   57.481    0.149   .   1   .   765    .   .   83    ASP   CA     .   25956   1
      846    .   1   1   83    83    ASP   CB     C   13   40.688    0.207   .   1   .   766    .   .   83    ASP   CB     .   25956   1
      847    .   1   1   83    83    ASP   N      N   15   119.959   0.031   .   1   .   771    .   .   83    ASP   N      .   25956   1
      848    .   1   1   84    84    LEU   H      H   1    7.489     0.004   .   1   .   778    .   .   84    LEU   H      .   25956   1
      849    .   1   1   84    84    LEU   HA     H   1    4.011     0.01    .   1   .   779    .   .   84    LEU   HA     .   25956   1
      850    .   1   1   84    84    LEU   HB2    H   1    1.496     0.002   .   1   .   780    .   .   84    LEU   HB2    .   25956   1
      851    .   1   1   84    84    LEU   HB3    H   1    1.496     0.002   .   1   .   781    .   .   84    LEU   HB3    .   25956   1
      852    .   1   1   84    84    LEU   HG     H   1    1.514     0.021   .   1   .   784    .   .   84    LEU   HG     .   25956   1
      853    .   1   1   84    84    LEU   HD11   H   1    0.851     0.003   .   2   .   782    .   .   84    LEU   HD11   .   25956   1
      854    .   1   1   84    84    LEU   HD12   H   1    0.851     0.003   .   2   .   782    .   .   84    LEU   HD12   .   25956   1
      855    .   1   1   84    84    LEU   HD13   H   1    0.851     0.003   .   2   .   782    .   .   84    LEU   HD13   .   25956   1
      856    .   1   1   84    84    LEU   HD21   H   1    0.971     0.011   .   2   .   783    .   .   84    LEU   HD21   .   25956   1
      857    .   1   1   84    84    LEU   HD22   H   1    0.971     0.011   .   2   .   783    .   .   84    LEU   HD22   .   25956   1
      858    .   1   1   84    84    LEU   HD23   H   1    0.971     0.011   .   2   .   783    .   .   84    LEU   HD23   .   25956   1
      859    .   1   1   84    84    LEU   C      C   13   179.503   .       .   1   .   772    .   .   84    LEU   C      .   25956   1
      860    .   1   1   84    84    LEU   CA     C   13   58.030    0.083   .   1   .   773    .   .   84    LEU   CA     .   25956   1
      861    .   1   1   84    84    LEU   CB     C   13   41.871    0.161   .   1   .   774    .   .   84    LEU   CB     .   25956   1
      862    .   1   1   84    84    LEU   CG     C   13   26.363    0.099   .   1   .   777    .   .   84    LEU   CG     .   25956   1
      863    .   1   1   84    84    LEU   CD1    C   13   24.086    .       .   2   .   775    .   .   84    LEU   CD1    .   25956   1
      864    .   1   1   84    84    LEU   CD2    C   13   24.173    0.086   .   2   .   776    .   .   84    LEU   CD2    .   25956   1
      865    .   1   1   84    84    LEU   N      N   15   120.685   0.094   .   1   .   785    .   .   84    LEU   N      .   25956   1
      866    .   1   1   85    85    ILE   H      H   1    8.040     0.016   .   1   .   791    .   .   85    ILE   H      .   25956   1
      867    .   1   1   85    85    ILE   HA     H   1    3.639     0.006   .   1   .   792    .   .   85    ILE   HA     .   25956   1
      868    .   1   1   85    85    ILE   HB     H   1    1.616     0.008   .   1   .   793    .   .   85    ILE   HB     .   25956   1
      869    .   1   1   85    85    ILE   HG12   H   1    0.757     0.01    .   2   .   795    .   .   85    ILE   HG12   .   25956   1
      870    .   1   1   85    85    ILE   HG13   H   1    0.759     0.007   .   2   .   796    .   .   85    ILE   HG13   .   25956   1
      871    .   1   1   85    85    ILE   HG21   H   1    0.470     0.021   .   1   .   797    .   .   85    ILE   HG21   .   25956   1
      872    .   1   1   85    85    ILE   HG22   H   1    0.470     0.021   .   1   .   797    .   .   85    ILE   HG22   .   25956   1
      873    .   1   1   85    85    ILE   HG23   H   1    0.470     0.021   .   1   .   797    .   .   85    ILE   HG23   .   25956   1
      874    .   1   1   85    85    ILE   HD11   H   1    0.436     0.015   .   1   .   794    .   .   85    ILE   HD11   .   25956   1
      875    .   1   1   85    85    ILE   HD12   H   1    0.436     0.015   .   1   .   794    .   .   85    ILE   HD12   .   25956   1
      876    .   1   1   85    85    ILE   HD13   H   1    0.436     0.015   .   1   .   794    .   .   85    ILE   HD13   .   25956   1
      877    .   1   1   85    85    ILE   C      C   13   180.074   .       .   1   .   786    .   .   85    ILE   C      .   25956   1
      878    .   1   1   85    85    ILE   CA     C   13   64.724    0.163   .   1   .   787    .   .   85    ILE   CA     .   25956   1
      879    .   1   1   85    85    ILE   CB     C   13   39.116    0.131   .   1   .   788    .   .   85    ILE   CB     .   25956   1
      880    .   1   1   85    85    ILE   CG1    C   13   18.390    .       .   1   .   789    .   .   85    ILE   CG1    .   25956   1
      881    .   1   1   85    85    ILE   CG2    C   13   18.390    .       .   1   .   790    .   .   85    ILE   CG2    .   25956   1
      882    .   1   1   85    85    ILE   N      N   15   120.217   0.071   .   1   .   798    .   .   85    ILE   N      .   25956   1
      883    .   1   1   86    86    ARG   H      H   1    8.491     0.019   .   1   .   802    .   .   86    ARG   H      .   25956   1
      884    .   1   1   86    86    ARG   HA     H   1    4.032     0.007   .   1   .   803    .   .   86    ARG   HA     .   25956   1
      885    .   1   1   86    86    ARG   HB2    H   1    1.662     0.024   .   2   .   804    .   .   86    ARG   HB2    .   25956   1
      886    .   1   1   86    86    ARG   HB3    H   1    1.824     0.004   .   2   .   805    .   .   86    ARG   HB3    .   25956   1
      887    .   1   1   86    86    ARG   HG2    H   1    1.626     0.005   .   2   .   809    .   .   86    ARG   HG2    .   25956   1
      888    .   1   1   86    86    ARG   HG3    H   1    1.633     0.011   .   2   .   810    .   .   86    ARG   HG3    .   25956   1
      889    .   1   1   86    86    ARG   HD2    H   1    2.752     0.003   .   2   .   806    .   .   86    ARG   HD2    .   25956   1
      890    .   1   1   86    86    ARG   HD3    H   1    2.981     0.003   .   2   .   807    .   .   86    ARG   HD3    .   25956   1
      891    .   1   1   86    86    ARG   HE     H   1    7.006     0.003   .   1   .   808    .   .   86    ARG   HE     .   25956   1
      892    .   1   1   86    86    ARG   C      C   13   177.406   .       .   1   .   799    .   .   86    ARG   C      .   25956   1
      893    .   1   1   86    86    ARG   CA     C   13   58.467    0.182   .   1   .   800    .   .   86    ARG   CA     .   25956   1
      894    .   1   1   86    86    ARG   CB     C   13   30.123    0.158   .   1   .   801    .   .   86    ARG   CB     .   25956   1
      895    .   1   1   86    86    ARG   N      N   15   119.428   0.073   .   1   .   811    .   .   86    ARG   N      .   25956   1
      896    .   1   1   87    87    SER   H      H   1    7.692     0.012   .   1   .   815    .   .   87    SER   H      .   25956   1
      897    .   1   1   87    87    SER   HA     H   1    4.466     0.011   .   1   .   816    .   .   87    SER   HA     .   25956   1
      898    .   1   1   87    87    SER   HB2    H   1    3.977     0.011   .   2   .   817    .   .   87    SER   HB2    .   25956   1
      899    .   1   1   87    87    SER   HB3    H   1    4.076     0.009   .   2   .   818    .   .   87    SER   HB3    .   25956   1
      900    .   1   1   87    87    SER   C      C   13   175.207   .       .   1   .   812    .   .   87    SER   C      .   25956   1
      901    .   1   1   87    87    SER   CA     C   13   59.047    0.012   .   1   .   813    .   .   87    SER   CA     .   25956   1
      902    .   1   1   87    87    SER   CB     C   13   63.944    0.098   .   1   .   814    .   .   87    SER   CB     .   25956   1
      903    .   1   1   87    87    SER   N      N   15   112.616   0.055   .   1   .   819    .   .   87    SER   N      .   25956   1
      904    .   1   1   88    88    GLY   H      H   1    7.857     0.004   .   1   .   822    .   .   88    GLY   H      .   25956   1
      905    .   1   1   88    88    GLY   HA2    H   1    3.908     0.006   .   2   .   823    .   .   88    GLY   HA2    .   25956   1
      906    .   1   1   88    88    GLY   HA3    H   1    4.082     0.006   .   2   .   824    .   .   88    GLY   HA3    .   25956   1
      907    .   1   1   88    88    GLY   C      C   13   174.518   .       .   1   .   820    .   .   88    GLY   C      .   25956   1
      908    .   1   1   88    88    GLY   CA     C   13   46.073    0.158   .   1   .   821    .   .   88    GLY   CA     .   25956   1
      909    .   1   1   88    88    GLY   N      N   15   110.028   0.065   .   1   .   825    .   .   88    GLY   N      .   25956   1
      910    .   1   1   89    89    GLN   H      H   1    7.897     0.008   .   1   .   829    .   .   89    GLN   H      .   25956   1
      911    .   1   1   89    89    GLN   HA     H   1    4.401     0.004   .   1   .   830    .   .   89    GLN   HA     .   25956   1
      912    .   1   1   89    89    GLN   HB2    H   1    2.125     0.008   .   2   .   831    .   .   89    GLN   HB2    .   25956   1
      913    .   1   1   89    89    GLN   HB3    H   1    2.187     0.004   .   2   .   832    .   .   89    GLN   HB3    .   25956   1
      914    .   1   1   89    89    GLN   HG2    H   1    2.265     0.003   .   2   .   833    .   .   89    GLN   HG2    .   25956   1
      915    .   1   1   89    89    GLN   HG3    H   1    2.360     0.005   .   2   .   834    .   .   89    GLN   HG3    .   25956   1
      916    .   1   1   89    89    GLN   C      C   13   175.342   .       .   1   .   826    .   .   89    GLN   C      .   25956   1
      917    .   1   1   89    89    GLN   CA     C   13   55.195    0.09    .   1   .   827    .   .   89    GLN   CA     .   25956   1
      918    .   1   1   89    89    GLN   CB     C   13   30.312    0.009   .   1   .   828    .   .   89    GLN   CB     .   25956   1
      919    .   1   1   89    89    GLN   N      N   15   118.928   0.055   .   1   .   835    .   .   89    GLN   N      .   25956   1
      920    .   1   1   90    90    SER   H      H   1    8.256     0.015   .   1   .   839    .   .   90    SER   H      .   25956   1
      921    .   1   1   90    90    SER   HA     H   1    4.405     0.008   .   1   .   840    .   .   90    SER   HA     .   25956   1
      922    .   1   1   90    90    SER   HB2    H   1    3.791     0.006   .   2   .   841    .   .   90    SER   HB2    .   25956   1
      923    .   1   1   90    90    SER   HB3    H   1    3.821     0.01    .   2   .   842    .   .   90    SER   HB3    .   25956   1
      924    .   1   1   90    90    SER   C      C   13   173.942   .       .   1   .   836    .   .   90    SER   C      .   25956   1
      925    .   1   1   90    90    SER   CA     C   13   58.442    0.066   .   1   .   837    .   .   90    SER   CA     .   25956   1
      926    .   1   1   90    90    SER   CB     C   13   63.744    0.01    .   1   .   838    .   .   90    SER   CB     .   25956   1
      927    .   1   1   90    90    SER   N      N   15   115.929   0.047   .   1   .   843    .   .   90    SER   N      .   25956   1
      928    .   1   1   91    91    VAL   H      H   1    8.308     0.023   .   1   .   849    .   .   91    VAL   H      .   25956   1
      929    .   1   1   91    91    VAL   HA     H   1    4.496     0.007   .   1   .   850    .   .   91    VAL   HA     .   25956   1
      930    .   1   1   91    91    VAL   HB     H   1    2.101     0.004   .   1   .   851    .   .   91    VAL   HB     .   25956   1
      931    .   1   1   91    91    VAL   HG11   H   1    0.969     0.009   .   2   .   852    .   .   91    VAL   HG11   .   25956   1
      932    .   1   1   91    91    VAL   HG12   H   1    0.969     0.009   .   2   .   852    .   .   91    VAL   HG12   .   25956   1
      933    .   1   1   91    91    VAL   HG13   H   1    0.969     0.009   .   2   .   852    .   .   91    VAL   HG13   .   25956   1
      934    .   1   1   91    91    VAL   HG21   H   1    1.009     0.015   .   2   .   853    .   .   91    VAL   HG21   .   25956   1
      935    .   1   1   91    91    VAL   HG22   H   1    1.009     0.015   .   2   .   853    .   .   91    VAL   HG22   .   25956   1
      936    .   1   1   91    91    VAL   HG23   H   1    1.009     0.015   .   2   .   853    .   .   91    VAL   HG23   .   25956   1
      937    .   1   1   91    91    VAL   C      C   13   174.377   .       .   1   .   844    .   .   91    VAL   C      .   25956   1
      938    .   1   1   91    91    VAL   CA     C   13   59.531    .       .   1   .   845    .   .   91    VAL   CA     .   25956   1
      939    .   1   1   91    91    VAL   CB     C   13   32.768    0.054   .   1   .   846    .   .   91    VAL   CB     .   25956   1
      940    .   1   1   91    91    VAL   CG1    C   13   20.900    .       .   1   .   847    .   .   91    VAL   CG1    .   25956   1
      941    .   1   1   91    91    VAL   CG2    C   13   20.900    .       .   1   .   848    .   .   91    VAL   CG2    .   25956   1
      942    .   1   1   91    91    VAL   N      N   15   122.228   0.082   .   1   .   854    .   .   91    VAL   N      .   25956   1
      943    .   1   1   92    92    PRO   HA     H   1    4.394     0.007   .   1   .   860    .   .   92    PRO   HA     .   25956   1
      944    .   1   1   92    92    PRO   HB2    H   1    1.710     0.019   .   2   .   861    .   .   92    PRO   HB2    .   25956   1
      945    .   1   1   92    92    PRO   HB3    H   1    2.294     0.006   .   2   .   862    .   .   92    PRO   HB3    .   25956   1
      946    .   1   1   92    92    PRO   HG2    H   1    1.703     0.015   .   2   .   865    .   .   92    PRO   HG2    .   25956   1
      947    .   1   1   92    92    PRO   HG3    H   1    1.957     .       .   2   .   866    .   .   92    PRO   HG3    .   25956   1
      948    .   1   1   92    92    PRO   HD2    H   1    3.469     0.002   .   2   .   863    .   .   92    PRO   HD2    .   25956   1
      949    .   1   1   92    92    PRO   HD3    H   1    3.895     0.004   .   2   .   864    .   .   92    PRO   HD3    .   25956   1
      950    .   1   1   92    92    PRO   C      C   13   176.462   .       .   1   .   855    .   .   92    PRO   C      .   25956   1
      951    .   1   1   92    92    PRO   CA     C   13   63.068    0.004   .   1   .   856    .   .   92    PRO   CA     .   25956   1
      952    .   1   1   92    92    PRO   CB     C   13   32.335    .       .   1   .   857    .   .   92    PRO   CB     .   25956   1
      953    .   1   1   92    92    PRO   CG     C   13   27.960    0.039   .   1   .   859    .   .   92    PRO   CG     .   25956   1
      954    .   1   1   92    92    PRO   CD     C   13   50.961    0.014   .   1   .   858    .   .   92    PRO   CD     .   25956   1
      955    .   1   1   93    93    GLU   H      H   1    8.517     0.006   .   1   .   871    .   .   93    GLU   H      .   25956   1
      956    .   1   1   93    93    GLU   HA     H   1    4.162     0.004   .   1   .   872    .   .   93    GLU   HA     .   25956   1
      957    .   1   1   93    93    GLU   HB2    H   1    1.894     0.004   .   2   .   873    .   .   93    GLU   HB2    .   25956   1
      958    .   1   1   93    93    GLU   HB3    H   1    2.004     0.015   .   2   .   874    .   .   93    GLU   HB3    .   25956   1
      959    .   1   1   93    93    GLU   HG2    H   1    2.218     0.02    .   2   .   875    .   .   93    GLU   HG2    .   25956   1
      960    .   1   1   93    93    GLU   HG3    H   1    2.249     0.011   .   2   .   876    .   .   93    GLU   HG3    .   25956   1
      961    .   1   1   93    93    GLU   C      C   13   176.440   .       .   1   .   867    .   .   93    GLU   C      .   25956   1
      962    .   1   1   93    93    GLU   CA     C   13   56.799    0.072   .   1   .   868    .   .   93    GLU   CA     .   25956   1
      963    .   1   1   93    93    GLU   CB     C   13   30.025    0.003   .   1   .   869    .   .   93    GLU   CB     .   25956   1
      964    .   1   1   93    93    GLU   CG     C   13   36.501    .       .   1   .   870    .   .   93    GLU   CG     .   25956   1
      965    .   1   1   93    93    GLU   N      N   15   120.148   0.045   .   1   .   877    .   .   93    GLU   N      .   25956   1
      966    .   1   1   94    94    HIS   H      H   1    7.875     0.007   .   1   .   881    .   .   94    HIS   H      .   25956   1
      967    .   1   1   94    94    HIS   HA     H   1    4.611     0.01    .   1   .   882    .   .   94    HIS   HA     .   25956   1
      968    .   1   1   94    94    HIS   HB2    H   1    3.066     0.004   .   2   .   883    .   .   94    HIS   HB2    .   25956   1
      969    .   1   1   94    94    HIS   HB3    H   1    3.127     0.005   .   2   .   884    .   .   94    HIS   HB3    .   25956   1
      970    .   1   1   94    94    HIS   HD1    H   1    7.009     0.004   .   1   .   885    .   .   94    HIS   HD1    .   25956   1
      971    .   1   1   94    94    HIS   HD2    H   1    7.884     .       .   1   .   886    .   .   94    HIS   HD2    .   25956   1
      972    .   1   1   94    94    HIS   C      C   13   174.750   .       .   1   .   878    .   .   94    HIS   C      .   25956   1
      973    .   1   1   94    94    HIS   CA     C   13   55.684    0.03    .   1   .   879    .   .   94    HIS   CA     .   25956   1
      974    .   1   1   94    94    HIS   CB     C   13   30.954    0.017   .   1   .   880    .   .   94    HIS   CB     .   25956   1
      975    .   1   1   94    94    HIS   N      N   15   118.194   0.092   .   1   .   887    .   .   94    HIS   N      .   25956   1
      976    .   1   1   95    95    ASP   H      H   1    8.503     0.034   .   1   .   891    .   .   95    ASP   H      .   25956   1
      977    .   1   1   95    95    ASP   HA     H   1    4.598     0.009   .   1   .   892    .   .   95    ASP   HA     .   25956   1
      978    .   1   1   95    95    ASP   HB2    H   1    2.604     0.032   .   2   .   893    .   .   95    ASP   HB2    .   25956   1
      979    .   1   1   95    95    ASP   HB3    H   1    2.659     0.001   .   2   .   894    .   .   95    ASP   HB3    .   25956   1
      980    .   1   1   95    95    ASP   C      C   13   176.831   .       .   1   .   888    .   .   95    ASP   C      .   25956   1
      981    .   1   1   95    95    ASP   CA     C   13   54.458    0.008   .   1   .   889    .   .   95    ASP   CA     .   25956   1
      982    .   1   1   95    95    ASP   CB     C   13   41.522    0.026   .   1   .   890    .   .   95    ASP   CB     .   25956   1
      983    .   1   1   95    95    ASP   N      N   15   122.613   0.128   .   1   .   895    .   .   95    ASP   N      .   25956   1
      984    .   1   1   96    96    VAL   H      H   1    8.239     0.005   .   1   .   901    .   .   96    VAL   H      .   25956   1
      985    .   1   1   96    96    VAL   HA     H   1    3.982     0.01    .   1   .   902    .   .   96    VAL   HA     .   25956   1
      986    .   1   1   96    96    VAL   HB     H   1    2.047     0.004   .   1   .   903    .   .   96    VAL   HB     .   25956   1
      987    .   1   1   96    96    VAL   HG11   H   1    0.925     0.005   .   1   .   904    .   .   96    VAL   HG11   .   25956   1
      988    .   1   1   96    96    VAL   HG12   H   1    0.925     0.005   .   1   .   904    .   .   96    VAL   HG12   .   25956   1
      989    .   1   1   96    96    VAL   HG13   H   1    0.925     0.005   .   1   .   904    .   .   96    VAL   HG13   .   25956   1
      990    .   1   1   96    96    VAL   HG21   H   1    0.925     0.004   .   1   .   905    .   .   96    VAL   HG21   .   25956   1
      991    .   1   1   96    96    VAL   HG22   H   1    0.925     0.004   .   1   .   905    .   .   96    VAL   HG22   .   25956   1
      992    .   1   1   96    96    VAL   HG23   H   1    0.925     0.004   .   1   .   905    .   .   96    VAL   HG23   .   25956   1
      993    .   1   1   96    96    VAL   C      C   13   175.544   .       .   1   .   896    .   .   96    VAL   C      .   25956   1
      994    .   1   1   96    96    VAL   CA     C   13   62.873    0.114   .   1   .   897    .   .   96    VAL   CA     .   25956   1
      995    .   1   1   96    96    VAL   CB     C   13   32.503    0.212   .   1   .   898    .   .   96    VAL   CB     .   25956   1
      996    .   1   1   96    96    VAL   CG1    C   13   22.053    .       .   1   .   899    .   .   96    VAL   CG1    .   25956   1
      997    .   1   1   96    96    VAL   CG2    C   13   22.053    .       .   1   .   900    .   .   96    VAL   CG2    .   25956   1
      998    .   1   1   96    96    VAL   N      N   15   122.124   0.095   .   1   .   906    .   .   96    VAL   N      .   25956   1
      999    .   1   1   97    97    ALA   H      H   1    8.423     0.02    .   1   .   910    .   .   97    ALA   H      .   25956   1
      1000   .   1   1   97    97    ALA   HA     H   1    4.266     0.009   .   1   .   911    .   .   97    ALA   HA     .   25956   1
      1001   .   1   1   97    97    ALA   HB1    H   1    1.344     0.009   .   1   .   912    .   .   97    ALA   HB1    .   25956   1
      1002   .   1   1   97    97    ALA   HB2    H   1    1.344     0.009   .   1   .   912    .   .   97    ALA   HB2    .   25956   1
      1003   .   1   1   97    97    ALA   HB3    H   1    1.344     0.009   .   1   .   912    .   .   97    ALA   HB3    .   25956   1
      1004   .   1   1   97    97    ALA   C      C   13   177.076   .       .   1   .   907    .   .   97    ALA   C      .   25956   1
      1005   .   1   1   97    97    ALA   CA     C   13   51.957    0.262   .   1   .   908    .   .   97    ALA   CA     .   25956   1
      1006   .   1   1   97    97    ALA   CB     C   13   19.174    .       .   1   .   909    .   .   97    ALA   CB     .   25956   1
      1007   .   1   1   97    97    ALA   N      N   15   125.832   0.11    .   1   .   913    .   .   97    ALA   N      .   25956   1
      1008   .   1   1   98    98    ALA   H      H   1    7.973     0.02    .   1   .   917    .   .   98    ALA   H      .   25956   1
      1009   .   1   1   98    98    ALA   HA     H   1    4.275     0.006   .   1   .   918    .   .   98    ALA   HA     .   25956   1
      1010   .   1   1   98    98    ALA   HB1    H   1    1.363     0.007   .   1   .   919    .   .   98    ALA   HB1    .   25956   1
      1011   .   1   1   98    98    ALA   HB2    H   1    1.363     0.007   .   1   .   919    .   .   98    ALA   HB2    .   25956   1
      1012   .   1   1   98    98    ALA   HB3    H   1    1.363     0.007   .   1   .   919    .   .   98    ALA   HB3    .   25956   1
      1013   .   1   1   98    98    ALA   C      C   13   176.909   .       .   1   .   914    .   .   98    ALA   C      .   25956   1
      1014   .   1   1   98    98    ALA   CA     C   13   52.002    0.035   .   1   .   915    .   .   98    ALA   CA     .   25956   1
      1015   .   1   1   98    98    ALA   CB     C   13   19.409    0.03    .   1   .   916    .   .   98    ALA   CB     .   25956   1
      1016   .   1   1   98    98    ALA   N      N   15   123.034   0.058   .   1   .   920    .   .   98    ALA   N      .   25956   1
      1017   .   1   1   99    99    ALA   H      H   1    8.216     0.004   .   1   .   924    .   .   99    ALA   H      .   25956   1
      1018   .   1   1   99    99    ALA   HA     H   1    4.529     0.008   .   1   .   925    .   .   99    ALA   HA     .   25956   1
      1019   .   1   1   99    99    ALA   HB1    H   1    1.340     0.003   .   1   .   926    .   .   99    ALA   HB1    .   25956   1
      1020   .   1   1   99    99    ALA   HB2    H   1    1.340     0.003   .   1   .   926    .   .   99    ALA   HB2    .   25956   1
      1021   .   1   1   99    99    ALA   HB3    H   1    1.340     0.003   .   1   .   926    .   .   99    ALA   HB3    .   25956   1
      1022   .   1   1   99    99    ALA   C      C   13   175.530   .       .   1   .   921    .   .   99    ALA   C      .   25956   1
      1023   .   1   1   99    99    ALA   CA     C   13   50.143    0.202   .   1   .   922    .   .   99    ALA   CA     .   25956   1
      1024   .   1   1   99    99    ALA   CB     C   13   18.094    .       .   1   .   923    .   .   99    ALA   CB     .   25956   1
      1025   .   1   1   99    99    ALA   N      N   15   124.737   0.039   .   1   .   927    .   .   99    ALA   N      .   25956   1
      1026   .   1   1   100   100   PRO   HA     H   1    4.350     .       .   1   .   931    .   .   100   PRO   HA     .   25956   1
      1027   .   1   1   100   100   PRO   HB2    H   1    2.002     0.002   .   2   .   932    .   .   100   PRO   HB2    .   25956   1
      1028   .   1   1   100   100   PRO   HB3    H   1    2.269     .       .   2   .   933    .   .   100   PRO   HB3    .   25956   1
      1029   .   1   1   100   100   PRO   HG2    H   1    1.943     0.018   .   1   .   936    .   .   100   PRO   HG2    .   25956   1
      1030   .   1   1   100   100   PRO   HG3    H   1    1.943     0.018   .   1   .   937    .   .   100   PRO   HG3    .   25956   1
      1031   .   1   1   100   100   PRO   HD2    H   1    3.602     0.004   .   2   .   934    .   .   100   PRO   HD2    .   25956   1
      1032   .   1   1   100   100   PRO   HD3    H   1    3.724     0.013   .   2   .   935    .   .   100   PRO   HD3    .   25956   1
      1033   .   1   1   100   100   PRO   C      C   13   177.071   .       .   1   .   928    .   .   100   PRO   C      .   25956   1
      1034   .   1   1   100   100   PRO   CA     C   13   63.075    .       .   1   .   929    .   .   100   PRO   CA     .   25956   1
      1035   .   1   1   100   100   PRO   CB     C   13   32.033    .       .   1   .   930    .   .   100   PRO   CB     .   25956   1
      1036   .   1   1   101   101   SER   H      H   1    8.446     0.004   .   1   .   941    .   .   101   SER   H      .   25956   1
      1037   .   1   1   101   101   SER   HA     H   1    4.432     0.002   .   1   .   942    .   .   101   SER   HA     .   25956   1
      1038   .   1   1   101   101   SER   HB2    H   1    3.850     0.007   .   2   .   943    .   .   101   SER   HB2    .   25956   1
      1039   .   1   1   101   101   SER   HB3    H   1    3.900     0.003   .   2   .   944    .   .   101   SER   HB3    .   25956   1
      1040   .   1   1   101   101   SER   C      C   13   177.087   .       .   1   .   938    .   .   101   SER   C      .   25956   1
      1041   .   1   1   101   101   SER   CA     C   13   58.336    .       .   1   .   939    .   .   101   SER   CA     .   25956   1
      1042   .   1   1   101   101   SER   CB     C   13   63.761    .       .   1   .   940    .   .   101   SER   CB     .   25956   1
      1043   .   1   1   101   101   SER   N      N   15   116.281   0.134   .   1   .   945    .   .   101   SER   N      .   25956   1
      1044   .   1   1   102   102   SER   H      H   1    7.657     0.001   .   1   .   946    .   .   102   SER   H      .   25956   1
      1045   .   1   1   102   102   SER   HA     H   1    4.486     .       .   1   .   947    .   .   102   SER   HA     .   25956   1
      1046   .   1   1   102   102   SER   HB2    H   1    3.985     0.006   .   2   .   948    .   .   102   SER   HB2    .   25956   1
      1047   .   1   1   102   102   SER   HB3    H   1    4.103     0.005   .   2   .   949    .   .   102   SER   HB3    .   25956   1
      1048   .   1   1   103   103   SER   HA     H   1    4.469     0.001   .   1   .   953    .   .   103   SER   HA     .   25956   1
      1049   .   1   1   103   103   SER   C      C   13   173.645   .       .   1   .   950    .   .   103   SER   C      .   25956   1
      1050   .   1   1   103   103   SER   CA     C   13   58.141    .       .   1   .   951    .   .   103   SER   CA     .   25956   1
      1051   .   1   1   103   103   SER   CB     C   13   63.926    .       .   1   .   952    .   .   103   SER   CB     .   25956   1
      1052   .   1   1   104   104   ALA   H      H   1    8.225     0.008   .   1   .   957    .   .   104   ALA   H      .   25956   1
      1053   .   1   1   104   104   ALA   HA     H   1    4.598     0.006   .   1   .   958    .   .   104   ALA   HA     .   25956   1
      1054   .   1   1   104   104   ALA   HB1    H   1    1.341     0.005   .   1   .   959    .   .   104   ALA   HB1    .   25956   1
      1055   .   1   1   104   104   ALA   HB2    H   1    1.341     0.005   .   1   .   959    .   .   104   ALA   HB2    .   25956   1
      1056   .   1   1   104   104   ALA   HB3    H   1    1.341     0.005   .   1   .   959    .   .   104   ALA   HB3    .   25956   1
      1057   .   1   1   104   104   ALA   C      C   13   175.388   .       .   1   .   954    .   .   104   ALA   C      .   25956   1
      1058   .   1   1   104   104   ALA   CA     C   13   50.561    0.05    .   1   .   955    .   .   104   ALA   CA     .   25956   1
      1059   .   1   1   104   104   ALA   CB     C   13   18.133    0.024   .   1   .   956    .   .   104   ALA   CB     .   25956   1
      1060   .   1   1   104   104   ALA   N      N   15   127.109   0.051   .   1   .   960    .   .   104   ALA   N      .   25956   1
      1061   .   1   1   105   105   PRO   HA     H   1    4.392     0.005   .   1   .   966    .   .   105   PRO   HA     .   25956   1
      1062   .   1   1   105   105   PRO   HB2    H   1    2.281     0.008   .   1   .   967    .   .   105   PRO   HB2    .   25956   1
      1063   .   1   1   105   105   PRO   HB3    H   1    2.281     0.008   .   1   .   968    .   .   105   PRO   HB3    .   25956   1
      1064   .   1   1   105   105   PRO   HG2    H   1    1.903     .       .   2   .   971    .   .   105   PRO   HG2    .   25956   1
      1065   .   1   1   105   105   PRO   HG3    H   1    2.007     0.007   .   2   .   972    .   .   105   PRO   HG3    .   25956   1
      1066   .   1   1   105   105   PRO   HD2    H   1    3.624     0.012   .   2   .   969    .   .   105   PRO   HD2    .   25956   1
      1067   .   1   1   105   105   PRO   HD3    H   1    3.783     0.004   .   2   .   970    .   .   105   PRO   HD3    .   25956   1
      1068   .   1   1   105   105   PRO   C      C   13   176.890   .       .   1   .   961    .   .   105   PRO   C      .   25956   1
      1069   .   1   1   105   105   PRO   CA     C   13   62.902    0.186   .   1   .   962    .   .   105   PRO   CA     .   25956   1
      1070   .   1   1   105   105   PRO   CB     C   13   32.147    0.231   .   1   .   963    .   .   105   PRO   CB     .   25956   1
      1071   .   1   1   105   105   PRO   CG     C   13   27.928    0.021   .   1   .   965    .   .   105   PRO   CG     .   25956   1
      1072   .   1   1   105   105   PRO   CD     C   13   50.603    0.191   .   1   .   964    .   .   105   PRO   CD     .   25956   1
      1073   .   1   1   106   106   GLN   H      H   1    8.506     0.007   .   1   .   976    .   .   106   GLN   H      .   25956   1
      1074   .   1   1   106   106   GLN   HA     H   1    4.322     .       .   1   .   977    .   .   106   GLN   HA     .   25956   1
      1075   .   1   1   106   106   GLN   HB2    H   1    1.987     0.002   .   2   .   978    .   .   106   GLN   HB2    .   25956   1
      1076   .   1   1   106   106   GLN   HB3    H   1    2.108     0.002   .   2   .   979    .   .   106   GLN   HB3    .   25956   1
      1077   .   1   1   106   106   GLN   HG2    H   1    2.389     0.006   .   2   .   980    .   .   106   GLN   HG2    .   25956   1
      1078   .   1   1   106   106   GLN   HG3    H   1    2.394     0.009   .   2   .   981    .   .   106   GLN   HG3    .   25956   1
      1079   .   1   1   106   106   GLN   C      C   13   175.919   .       .   1   .   973    .   .   106   GLN   C      .   25956   1
      1080   .   1   1   106   106   GLN   CA     C   13   55.747    .       .   1   .   974    .   .   106   GLN   CA     .   25956   1
      1081   .   1   1   106   106   GLN   CB     C   13   29.938    0.253   .   1   .   975    .   .   106   GLN   CB     .   25956   1
      1082   .   1   1   106   106   GLN   N      N   15   120.884   0.067   .   1   .   982    .   .   106   GLN   N      .   25956   1
      1083   .   1   1   107   107   GLU   H      H   1    8.470     0.007   .   1   .   986    .   .   107   GLU   H      .   25956   1
      1084   .   1   1   107   107   GLU   HA     H   1    4.334     0.011   .   1   .   987    .   .   107   GLU   HA     .   25956   1
      1085   .   1   1   107   107   GLU   HB2    H   1    1.927     .       .   2   .   988    .   .   107   GLU   HB2    .   25956   1
      1086   .   1   1   107   107   GLU   HB3    H   1    2.084     0.023   .   2   .   989    .   .   107   GLU   HB3    .   25956   1
      1087   .   1   1   107   107   GLU   HG2    H   1    2.266     0.008   .   1   .   990    .   .   107   GLU   HG2    .   25956   1
      1088   .   1   1   107   107   GLU   HG3    H   1    2.266     0.008   .   1   .   991    .   .   107   GLU   HG3    .   25956   1
      1089   .   1   1   107   107   GLU   C      C   13   175.591   .       .   1   .   983    .   .   107   GLU   C      .   25956   1
      1090   .   1   1   107   107   GLU   CA     C   13   56.593    0.001   .   1   .   984    .   .   107   GLU   CA     .   25956   1
      1091   .   1   1   107   107   GLU   CB     C   13   30.543    0.005   .   1   .   985    .   .   107   GLU   CB     .   25956   1
      1092   .   1   1   107   107   GLU   N      N   15   123.070   0.043   .   1   .   992    .   .   107   GLU   N      .   25956   1
      1093   .   1   1   108   108   SER   H      H   1    7.995     0.013   .   1   .   996    .   .   108   SER   H      .   25956   1
      1094   .   1   1   108   108   SER   HA     H   1    4.255     0.004   .   1   .   997    .   .   108   SER   HA     .   25956   1
      1095   .   1   1   108   108   SER   HB2    H   1    3.818     0.011   .   2   .   998    .   .   108   SER   HB2    .   25956   1
      1096   .   1   1   108   108   SER   HB3    H   1    3.828     0.013   .   2   .   999    .   .   108   SER   HB3    .   25956   1
      1097   .   1   1   108   108   SER   C      C   13   175.588   .       .   1   .   993    .   .   108   SER   C      .   25956   1
      1098   .   1   1   108   108   SER   CA     C   13   59.986    0.378   .   1   .   994    .   .   108   SER   CA     .   25956   1
      1099   .   1   1   108   108   SER   CB     C   13   64.676    0.16    .   1   .   995    .   .   108   SER   CB     .   25956   1
      1100   .   1   1   108   108   SER   N      N   15   122.446   0.036   .   1   .   1000   .   .   108   SER   N      .   25956   1
   stop_
save_