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                      25955
   _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/5frf/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   25955   1
      2   'TOCSY (2D and 3D) HNCA'   1   $sample_1   solution   25955   1
      3   'CBCANH and CBCA(CO)NH'    1   $sample_1   solution   25955   1
      4   'HNCO and HN(CA)CO'        1   $sample_1   solution   25955   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   1   $CNS   25955   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   C      C   13   176.064   .       .   1   .   1     .   .   4     MET   C      .   25955   1
      2     .   1   1   4     4     MET   CA     C   13   55.539    .       .   1   .   2     .   .   4     MET   CA     .   25955   1
      3     .   1   1   4     4     MET   CB     C   13   32.713    .       .   1   .   3     .   .   4     MET   CB     .   25955   1
      4     .   1   1   5     5     SER   H      H   1    8.358     0.005   .   1   .   7     .   .   5     SER   H      .   25955   1
      5     .   1   1   5     5     SER   HA     H   1    4.422     0.011   .   1   .   8     .   .   5     SER   HA     .   25955   1
      6     .   1   1   5     5     SER   HB2    H   1    3.849     .       .   1   .   9     .   .   5     SER   HB2    .   25955   1
      7     .   1   1   5     5     SER   HB3    H   1    3.849     .       .   1   .   10    .   .   5     SER   HB3    .   25955   1
      8     .   1   1   5     5     SER   C      C   13   174.197   .       .   1   .   4     .   .   5     SER   C      .   25955   1
      9     .   1   1   5     5     SER   CA     C   13   58.284    .       .   1   .   5     .   .   5     SER   CA     .   25955   1
      10    .   1   1   5     5     SER   CB     C   13   63.898    .       .   1   .   6     .   .   5     SER   CB     .   25955   1
      11    .   1   1   5     5     SER   N      N   15   117.355   0.073   .   1   .   11    .   .   5     SER   N      .   25955   1
      12    .   1   1   6     6     ALA   H      H   1    8.421     0.007   .   1   .   15    .   .   6     ALA   H      .   25955   1
      13    .   1   1   6     6     ALA   HA     H   1    4.318     0.006   .   1   .   16    .   .   6     ALA   HA     .   25955   1
      14    .   1   1   6     6     ALA   HB1    H   1    1.375     0.013   .   1   .   17    .   .   6     ALA   HB1    .   25955   1
      15    .   1   1   6     6     ALA   HB2    H   1    1.375     0.013   .   1   .   17    .   .   6     ALA   HB2    .   25955   1
      16    .   1   1   6     6     ALA   HB3    H   1    1.375     0.013   .   1   .   17    .   .   6     ALA   HB3    .   25955   1
      17    .   1   1   6     6     ALA   C      C   13   177.945   0.001   .   1   .   12    .   .   6     ALA   C      .   25955   1
      18    .   1   1   6     6     ALA   CA     C   13   52.716    0.01    .   1   .   13    .   .   6     ALA   CA     .   25955   1
      19    .   1   1   6     6     ALA   CB     C   13   19.150    .       .   1   .   14    .   .   6     ALA   CB     .   25955   1
      20    .   1   1   6     6     ALA   N      N   15   126.116   0.179   .   1   .   18    .   .   6     ALA   N      .   25955   1
      21    .   1   1   7     7     GLY   H      H   1    8.310     0.005   .   1   .   21    .   .   7     GLY   H      .   25955   1
      22    .   1   1   7     7     GLY   HA2    H   1    3.909     0.009   .   2   .   22    .   .   7     GLY   HA2    .   25955   1
      23    .   1   1   7     7     GLY   HA3    H   1    3.910     0.009   .   2   .   23    .   .   7     GLY   HA3    .   25955   1
      24    .   1   1   7     7     GLY   C      C   13   173.776   0.002   .   1   .   19    .   .   7     GLY   C      .   25955   1
      25    .   1   1   7     7     GLY   CA     C   13   45.225    0.226   .   1   .   20    .   .   7     GLY   CA     .   25955   1
      26    .   1   1   7     7     GLY   N      N   15   108.046   0.07    .   1   .   24    .   .   7     GLY   N      .   25955   1
      27    .   1   1   8     8     GLU   H      H   1    8.136     0.007   .   1   .   28    .   .   8     GLU   H      .   25955   1
      28    .   1   1   8     8     GLU   HA     H   1    4.544     0.006   .   1   .   29    .   .   8     GLU   HA     .   25955   1
      29    .   1   1   8     8     GLU   HB2    H   1    1.800     0.004   .   2   .   30    .   .   8     GLU   HB2    .   25955   1
      30    .   1   1   8     8     GLU   HB3    H   1    1.987     0.006   .   2   .   31    .   .   8     GLU   HB3    .   25955   1
      31    .   1   1   8     8     GLU   HG2    H   1    2.226     0.004   .   1   .   32    .   .   8     GLU   HG2    .   25955   1
      32    .   1   1   8     8     GLU   HG3    H   1    2.226     0.004   .   1   .   33    .   .   8     GLU   HG3    .   25955   1
      33    .   1   1   8     8     GLU   C      C   13   174.680   .       .   1   .   25    .   .   8     GLU   C      .   25955   1
      34    .   1   1   8     8     GLU   CA     C   13   54.273    .       .   1   .   26    .   .   8     GLU   CA     .   25955   1
      35    .   1   1   8     8     GLU   CB     C   13   29.569    0.188   .   1   .   27    .   .   8     GLU   CB     .   25955   1
      36    .   1   1   8     8     GLU   N      N   15   121.614   0.047   .   1   .   34    .   .   8     GLU   N      .   25955   1
      37    .   1   1   9     9     PRO   HA     H   1    4.332     .       .   1   .   38    .   .   9     PRO   HA     .   25955   1
      38    .   1   1   9     9     PRO   HD2    H   1    3.644     .       .   1   .   39    .   .   9     PRO   HD2    .   25955   1
      39    .   1   1   9     9     PRO   C      C   13   176.614   .       .   1   .   35    .   .   9     PRO   C      .   25955   1
      40    .   1   1   9     9     PRO   CA     C   13   63.357    .       .   1   .   36    .   .   9     PRO   CA     .   25955   1
      41    .   1   1   9     9     PRO   CB     C   13   31.929    .       .   1   .   37    .   .   9     PRO   CB     .   25955   1
      42    .   1   1   10    10    HIS   H      H   1    8.339     .       .   1   .   42    .   .   10    HIS   H      .   25955   1
      43    .   1   1   10    10    HIS   HA     H   1    4.602     0.007   .   1   .   43    .   .   10    HIS   HA     .   25955   1
      44    .   1   1   10    10    HIS   HB2    H   1    3.061     0.017   .   2   .   44    .   .   10    HIS   HB2    .   25955   1
      45    .   1   1   10    10    HIS   HB3    H   1    3.078     0.011   .   2   .   45    .   .   10    HIS   HB3    .   25955   1
      46    .   1   1   10    10    HIS   HD2    H   1    7.037     0.002   .   1   .   46    .   .   10    HIS   HD2    .   25955   1
      47    .   1   1   10    10    HIS   HE1    H   1    6.796     .       .   1   .   47    .   .   10    HIS   HE1    .   25955   1
      48    .   1   1   10    10    HIS   C      C   13   174.799   0.015   .   1   .   40    .   .   10    HIS   C      .   25955   1
      49    .   1   1   10    10    HIS   CA     C   13   55.742    0.227   .   1   .   41    .   .   10    HIS   CA     .   25955   1
      50    .   1   1   10    10    HIS   N      N   15   118.843   0.103   .   1   .   48    .   .   10    HIS   N      .   25955   1
      51    .   1   1   11    11    GLU   H      H   1    8.363     0.022   .   1   .   52    .   .   11    GLU   H      .   25955   1
      52    .   1   1   11    11    GLU   HA     H   1    4.602     .       .   1   .   53    .   .   11    GLU   HA     .   25955   1
      53    .   1   1   11    11    GLU   C      C   13   176.476   .       .   1   .   49    .   .   11    GLU   C      .   25955   1
      54    .   1   1   11    11    GLU   CA     C   13   56.569    0.013   .   1   .   50    .   .   11    GLU   CA     .   25955   1
      55    .   1   1   11    11    GLU   CB     C   13   30.317    0.026   .   1   .   51    .   .   11    GLU   CB     .   25955   1
      56    .   1   1   11    11    GLU   N      N   15   122.149   0.093   .   1   .   54    .   .   11    GLU   N      .   25955   1
      57    .   1   1   12    12    THR   H      H   1    8.493     0.007   .   1   .   58    .   .   12    THR   H      .   25955   1
      58    .   1   1   12    12    THR   HA     H   1    4.338     0.004   .   1   .   59    .   .   12    THR   HA     .   25955   1
      59    .   1   1   12    12    THR   HB     H   1    4.002     0.003   .   1   .   60    .   .   12    THR   HB     .   25955   1
      60    .   1   1   12    12    THR   HG21   H   1    0.937     0.014   .   1   .   61    .   .   12    THR   HG21   .   25955   1
      61    .   1   1   12    12    THR   HG22   H   1    0.937     0.014   .   1   .   61    .   .   12    THR   HG22   .   25955   1
      62    .   1   1   12    12    THR   HG23   H   1    0.937     0.014   .   1   .   61    .   .   12    THR   HG23   .   25955   1
      63    .   1   1   12    12    THR   C      C   13   174.571   .       .   1   .   55    .   .   12    THR   C      .   25955   1
      64    .   1   1   12    12    THR   CA     C   13   61.834    0.011   .   1   .   56    .   .   12    THR   CA     .   25955   1
      65    .   1   1   12    12    THR   CB     C   13   70.400    0.196   .   1   .   57    .   .   12    THR   CB     .   25955   1
      66    .   1   1   12    12    THR   N      N   15   115.958   0.063   .   1   .   62    .   .   12    THR   N      .   25955   1
      67    .   1   1   13    13    ASP   H      H   1    8.896     0.008   .   1   .   66    .   .   13    ASP   H      .   25955   1
      68    .   1   1   13    13    ASP   HA     H   1    4.906     0.003   .   1   .   67    .   .   13    ASP   HA     .   25955   1
      69    .   1   1   13    13    ASP   HB2    H   1    2.743     0.007   .   2   .   68    .   .   13    ASP   HB2    .   25955   1
      70    .   1   1   13    13    ASP   HB3    H   1    2.914     0.006   .   2   .   69    .   .   13    ASP   HB3    .   25955   1
      71    .   1   1   13    13    ASP   C      C   13   177.750   0.006   .   1   .   63    .   .   13    ASP   C      .   25955   1
      72    .   1   1   13    13    ASP   CA     C   13   54.448    0.016   .   1   .   64    .   .   13    ASP   CA     .   25955   1
      73    .   1   1   13    13    ASP   CB     C   13   42.033    0.093   .   1   .   65    .   .   13    ASP   CB     .   25955   1
      74    .   1   1   13    13    ASP   N      N   15   125.384   0.073   .   1   .   70    .   .   13    ASP   N      .   25955   1
      75    .   1   1   14    14    CYS   H      H   1    8.473     0.003   .   1   .   74    .   .   14    CYS   H      .   25955   1
      76    .   1   1   14    14    CYS   HA     H   1    4.019     0.006   .   1   .   75    .   .   14    CYS   HA     .   25955   1
      77    .   1   1   14    14    CYS   HB2    H   1    2.767     0.008   .   2   .   76    .   .   14    CYS   HB2    .   25955   1
      78    .   1   1   14    14    CYS   HB3    H   1    3.179     0.003   .   2   .   77    .   .   14    CYS   HB3    .   25955   1
      79    .   1   1   14    14    CYS   C      C   13   178.128   0.007   .   1   .   71    .   .   14    CYS   C      .   25955   1
      80    .   1   1   14    14    CYS   CA     C   13   63.710    0.04    .   1   .   72    .   .   14    CYS   CA     .   25955   1
      81    .   1   1   14    14    CYS   CB     C   13   29.624    0.189   .   1   .   73    .   .   14    CYS   CB     .   25955   1
      82    .   1   1   14    14    CYS   N      N   15   122.913   0.049   .   1   .   78    .   .   14    CYS   N      .   25955   1
      83    .   1   1   15    15    SER   H      H   1    8.622     0.004   .   1   .   82    .   .   15    SER   H      .   25955   1
      84    .   1   1   15    15    SER   HA     H   1    4.217     0.005   .   1   .   83    .   .   15    SER   HA     .   25955   1
      85    .   1   1   15    15    SER   HB2    H   1    3.967     0.012   .   2   .   84    .   .   15    SER   HB2    .   25955   1
      86    .   1   1   15    15    SER   HB3    H   1    3.987     0.011   .   2   .   85    .   .   15    SER   HB3    .   25955   1
      87    .   1   1   15    15    SER   C      C   13   175.928   .       .   1   .   79    .   .   15    SER   C      .   25955   1
      88    .   1   1   15    15    SER   CA     C   13   61.345    0.089   .   1   .   80    .   .   15    SER   CA     .   25955   1
      89    .   1   1   15    15    SER   CB     C   13   62.681    0.062   .   1   .   81    .   .   15    SER   CB     .   25955   1
      90    .   1   1   15    15    SER   N      N   15   114.532   0.086   .   1   .   86    .   .   15    SER   N      .   25955   1
      91    .   1   1   16    16    GLU   H      H   1    7.787     0.008   .   1   .   90    .   .   16    GLU   H      .   25955   1
      92    .   1   1   16    16    GLU   HA     H   1    4.602     0.014   .   1   .   91    .   .   16    GLU   HA     .   25955   1
      93    .   1   1   16    16    GLU   HB2    H   1    1.859     0.014   .   2   .   92    .   .   16    GLU   HB2    .   25955   1
      94    .   1   1   16    16    GLU   HB3    H   1    2.016     0.005   .   2   .   93    .   .   16    GLU   HB3    .   25955   1
      95    .   1   1   16    16    GLU   HG2    H   1    2.220     .       .   2   .   94    .   .   16    GLU   HG2    .   25955   1
      96    .   1   1   16    16    GLU   HG3    H   1    2.221     0.002   .   2   .   95    .   .   16    GLU   HG3    .   25955   1
      97    .   1   1   16    16    GLU   C      C   13   177.701   0.001   .   1   .   87    .   .   16    GLU   C      .   25955   1
      98    .   1   1   16    16    GLU   CA     C   13   56.031    0.1     .   1   .   88    .   .   16    GLU   CA     .   25955   1
      99    .   1   1   16    16    GLU   CB     C   13   30.574    0.012   .   1   .   89    .   .   16    GLU   CB     .   25955   1
      100   .   1   1   16    16    GLU   N      N   15   120.144   0.105   .   1   .   96    .   .   16    GLU   N      .   25955   1
      101   .   1   1   17    17    ILE   H      H   1    7.347     0.006   .   1   .   101   .   .   17    ILE   H      .   25955   1
      102   .   1   1   17    17    ILE   HA     H   1    3.908     0.006   .   1   .   102   .   .   17    ILE   HA     .   25955   1
      103   .   1   1   17    17    ILE   HB     H   1    1.662     0.008   .   1   .   103   .   .   17    ILE   HB     .   25955   1
      104   .   1   1   17    17    ILE   HG12   H   1    1.084     0.006   .   2   .   105   .   .   17    ILE   HG12   .   25955   1
      105   .   1   1   17    17    ILE   HG13   H   1    1.086     0.006   .   2   .   106   .   .   17    ILE   HG13   .   25955   1
      106   .   1   1   17    17    ILE   HG21   H   1    0.938     0.004   .   1   .   107   .   .   17    ILE   HG21   .   25955   1
      107   .   1   1   17    17    ILE   HG22   H   1    0.938     0.004   .   1   .   107   .   .   17    ILE   HG22   .   25955   1
      108   .   1   1   17    17    ILE   HG23   H   1    0.938     0.004   .   1   .   107   .   .   17    ILE   HG23   .   25955   1
      109   .   1   1   17    17    ILE   HD11   H   1    0.265     0.002   .   1   .   104   .   .   17    ILE   HD11   .   25955   1
      110   .   1   1   17    17    ILE   HD12   H   1    0.265     0.002   .   1   .   104   .   .   17    ILE   HD12   .   25955   1
      111   .   1   1   17    17    ILE   HD13   H   1    0.265     0.002   .   1   .   104   .   .   17    ILE   HD13   .   25955   1
      112   .   1   1   17    17    ILE   C      C   13   176.050   .       .   1   .   97    .   .   17    ILE   C      .   25955   1
      113   .   1   1   17    17    ILE   CA     C   13   62.923    0.137   .   1   .   98    .   .   17    ILE   CA     .   25955   1
      114   .   1   1   17    17    ILE   CB     C   13   38.431    0.061   .   1   .   99    .   .   17    ILE   CB     .   25955   1
      115   .   1   1   17    17    ILE   CG1    C   13   28.762    0.05    .   1   .   100   .   .   17    ILE   CG1    .   25955   1
      116   .   1   1   17    17    ILE   N      N   15   120.313   0.06    .   1   .   108   .   .   17    ILE   N      .   25955   1
      117   .   1   1   18    18    LEU   H      H   1    8.025     0.008   .   1   .   112   .   .   18    LEU   H      .   25955   1
      118   .   1   1   18    18    LEU   HA     H   1    3.900     0.003   .   1   .   113   .   .   18    LEU   HA     .   25955   1
      119   .   1   1   18    18    LEU   HB2    H   1    1.459     0.017   .   2   .   114   .   .   18    LEU   HB2    .   25955   1
      120   .   1   1   18    18    LEU   HB3    H   1    1.779     0.009   .   2   .   115   .   .   18    LEU   HB3    .   25955   1
      121   .   1   1   18    18    LEU   HG     H   1    1.149     0.008   .   1   .   118   .   .   18    LEU   HG     .   25955   1
      122   .   1   1   18    18    LEU   HD11   H   1    0.278     0.015   .   2   .   116   .   .   18    LEU   HD11   .   25955   1
      123   .   1   1   18    18    LEU   HD12   H   1    0.278     0.015   .   2   .   116   .   .   18    LEU   HD12   .   25955   1
      124   .   1   1   18    18    LEU   HD13   H   1    0.278     0.015   .   2   .   116   .   .   18    LEU   HD13   .   25955   1
      125   .   1   1   18    18    LEU   HD21   H   1    0.370     0.008   .   2   .   117   .   .   18    LEU   HD21   .   25955   1
      126   .   1   1   18    18    LEU   HD22   H   1    0.370     0.008   .   2   .   117   .   .   18    LEU   HD22   .   25955   1
      127   .   1   1   18    18    LEU   HD23   H   1    0.370     0.008   .   2   .   117   .   .   18    LEU   HD23   .   25955   1
      128   .   1   1   18    18    LEU   C      C   13   179.492   .       .   1   .   109   .   .   18    LEU   C      .   25955   1
      129   .   1   1   18    18    LEU   CA     C   13   58.090    0.116   .   1   .   110   .   .   18    LEU   CA     .   25955   1
      130   .   1   1   18    18    LEU   CB     C   13   40.121    0.106   .   1   .   111   .   .   18    LEU   CB     .   25955   1
      131   .   1   1   18    18    LEU   N      N   15   120.240   0.032   .   1   .   119   .   .   18    LEU   N      .   25955   1
      132   .   1   1   19    19    ASP   H      H   1    7.549     0.007   .   1   .   123   .   .   19    ASP   H      .   25955   1
      133   .   1   1   19    19    ASP   HA     H   1    4.424     0.007   .   1   .   124   .   .   19    ASP   HA     .   25955   1
      134   .   1   1   19    19    ASP   HB2    H   1    2.675     0.005   .   2   .   125   .   .   19    ASP   HB2    .   25955   1
      135   .   1   1   19    19    ASP   HB3    H   1    2.676     0.004   .   2   .   126   .   .   19    ASP   HB3    .   25955   1
      136   .   1   1   19    19    ASP   C      C   13   179.166   .       .   1   .   120   .   .   19    ASP   C      .   25955   1
      137   .   1   1   19    19    ASP   CA     C   13   57.452    0.152   .   1   .   121   .   .   19    ASP   CA     .   25955   1
      138   .   1   1   19    19    ASP   CB     C   13   40.067    0.084   .   1   .   122   .   .   19    ASP   CB     .   25955   1
      139   .   1   1   19    19    ASP   N      N   15   119.922   0.061   .   1   .   127   .   .   19    ASP   N      .   25955   1
      140   .   1   1   20    20    HIS   H      H   1    8.008     0.023   .   1   .   131   .   .   20    HIS   H      .   25955   1
      141   .   1   1   20    20    HIS   HA     H   1    4.567     0.022   .   1   .   132   .   .   20    HIS   HA     .   25955   1
      142   .   1   1   20    20    HIS   HB2    H   1    3.093     0.008   .   2   .   133   .   .   20    HIS   HB2    .   25955   1
      143   .   1   1   20    20    HIS   HB3    H   1    3.178     0.002   .   2   .   134   .   .   20    HIS   HB3    .   25955   1
      144   .   1   1   20    20    HIS   HD1    H   1    6.996     0.001   .   1   .   135   .   .   20    HIS   HD1    .   25955   1
      145   .   1   1   20    20    HIS   HD2    H   1    6.997     .       .   1   .   136   .   .   20    HIS   HD2    .   25955   1
      146   .   1   1   20    20    HIS   C      C   13   179.340   .       .   1   .   128   .   .   20    HIS   C      .   25955   1
      147   .   1   1   20    20    HIS   CA     C   13   58.845    0.014   .   1   .   129   .   .   20    HIS   CA     .   25955   1
      148   .   1   1   20    20    HIS   CB     C   13   30.675    0.086   .   1   .   130   .   .   20    HIS   CB     .   25955   1
      149   .   1   1   20    20    HIS   N      N   15   118.959   0.095   .   1   .   137   .   .   20    HIS   N      .   25955   1
      150   .   1   1   21    21    LEU   H      H   1    9.061     0.006   .   1   .   142   .   .   21    LEU   H      .   25955   1
      151   .   1   1   21    21    LEU   HA     H   1    4.115     0.005   .   1   .   143   .   .   21    LEU   HA     .   25955   1
      152   .   1   1   21    21    LEU   HB2    H   1    1.526     0.008   .   2   .   144   .   .   21    LEU   HB2    .   25955   1
      153   .   1   1   21    21    LEU   HB3    H   1    1.762     0.015   .   2   .   145   .   .   21    LEU   HB3    .   25955   1
      154   .   1   1   21    21    LEU   HG     H   1    1.467     0.02    .   1   .   148   .   .   21    LEU   HG     .   25955   1
      155   .   1   1   21    21    LEU   HD11   H   1    0.502     0.007   .   2   .   146   .   .   21    LEU   HD11   .   25955   1
      156   .   1   1   21    21    LEU   HD12   H   1    0.502     0.007   .   2   .   146   .   .   21    LEU   HD12   .   25955   1
      157   .   1   1   21    21    LEU   HD13   H   1    0.502     0.007   .   2   .   146   .   .   21    LEU   HD13   .   25955   1
      158   .   1   1   21    21    LEU   HD21   H   1    0.811     0.005   .   2   .   147   .   .   21    LEU   HD21   .   25955   1
      159   .   1   1   21    21    LEU   HD22   H   1    0.811     0.005   .   2   .   147   .   .   21    LEU   HD22   .   25955   1
      160   .   1   1   21    21    LEU   HD23   H   1    0.811     0.005   .   2   .   147   .   .   21    LEU   HD23   .   25955   1
      161   .   1   1   21    21    LEU   C      C   13   177.196   0.003   .   1   .   138   .   .   21    LEU   C      .   25955   1
      162   .   1   1   21    21    LEU   CA     C   13   57.841    0.098   .   1   .   139   .   .   21    LEU   CA     .   25955   1
      163   .   1   1   21    21    LEU   CB     C   13   41.240    0.04    .   1   .   140   .   .   21    LEU   CB     .   25955   1
      164   .   1   1   21    21    LEU   CG     C   13   31.845    0.021   .   1   .   141   .   .   21    LEU   CG     .   25955   1
      165   .   1   1   21    21    LEU   N      N   15   122.465   0.095   .   1   .   149   .   .   21    LEU   N      .   25955   1
      166   .   1   1   22    22    TYR   H      H   1    8.253     0.005   .   1   .   153   .   .   22    TYR   H      .   25955   1
      167   .   1   1   22    22    TYR   HA     H   1    3.674     0.003   .   1   .   154   .   .   22    TYR   HA     .   25955   1
      168   .   1   1   22    22    TYR   HB2    H   1    3.055     0.003   .   2   .   155   .   .   22    TYR   HB2    .   25955   1
      169   .   1   1   22    22    TYR   HB3    H   1    3.223     0.004   .   2   .   156   .   .   22    TYR   HB3    .   25955   1
      170   .   1   1   22    22    TYR   HD1    H   1    6.968     0.002   .   1   .   157   .   .   22    TYR   HD1    .   25955   1
      171   .   1   1   22    22    TYR   HD2    H   1    6.968     0.002   .   1   .   158   .   .   22    TYR   HD2    .   25955   1
      172   .   1   1   22    22    TYR   HE1    H   1    6.773     0.007   .   1   .   159   .   .   22    TYR   HE1    .   25955   1
      173   .   1   1   22    22    TYR   HE2    H   1    6.773     0.007   .   1   .   160   .   .   22    TYR   HE2    .   25955   1
      174   .   1   1   22    22    TYR   C      C   13   177.124   .       .   1   .   150   .   .   22    TYR   C      .   25955   1
      175   .   1   1   22    22    TYR   CA     C   13   63.286    0.069   .   1   .   151   .   .   22    TYR   CA     .   25955   1
      176   .   1   1   22    22    TYR   CB     C   13   38.476    0.081   .   1   .   152   .   .   22    TYR   CB     .   25955   1
      177   .   1   1   22    22    TYR   N      N   15   119.831   0.079   .   1   .   161   .   .   22    TYR   N      .   25955   1
      178   .   1   1   23    23    GLU   H      H   1    7.857     0.017   .   1   .   165   .   .   23    GLU   H      .   25955   1
      179   .   1   1   23    23    GLU   HA     H   1    4.080     0.011   .   1   .   166   .   .   23    GLU   HA     .   25955   1
      180   .   1   1   23    23    GLU   HB2    H   1    2.156     0.011   .   2   .   167   .   .   23    GLU   HB2    .   25955   1
      181   .   1   1   23    23    GLU   HB3    H   1    2.197     0.012   .   2   .   168   .   .   23    GLU   HB3    .   25955   1
      182   .   1   1   23    23    GLU   HG2    H   1    2.430     0.011   .   2   .   169   .   .   23    GLU   HG2    .   25955   1
      183   .   1   1   23    23    GLU   HG3    H   1    2.438     0.011   .   2   .   170   .   .   23    GLU   HG3    .   25955   1
      184   .   1   1   23    23    GLU   C      C   13   177.594   0.001   .   1   .   162   .   .   23    GLU   C      .   25955   1
      185   .   1   1   23    23    GLU   CA     C   13   59.460    0.158   .   1   .   163   .   .   23    GLU   CA     .   25955   1
      186   .   1   1   23    23    GLU   CB     C   13   29.855    .       .   1   .   164   .   .   23    GLU   CB     .   25955   1
      187   .   1   1   23    23    GLU   N      N   15   117.283   0.053   .   1   .   171   .   .   23    GLU   N      .   25955   1
      188   .   1   1   24    24    PHE   H      H   1    8.076     0.009   .   1   .   175   .   .   24    PHE   H      .   25955   1
      189   .   1   1   24    24    PHE   HA     H   1    4.374     0.006   .   1   .   176   .   .   24    PHE   HA     .   25955   1
      190   .   1   1   24    24    PHE   HB2    H   1    3.362     0.013   .   2   .   177   .   .   24    PHE   HB2    .   25955   1
      191   .   1   1   24    24    PHE   HB3    H   1    3.512     .       .   2   .   178   .   .   24    PHE   HB3    .   25955   1
      192   .   1   1   24    24    PHE   HD1    H   1    7.151     0.003   .   1   .   179   .   .   24    PHE   HD1    .   25955   1
      193   .   1   1   24    24    PHE   HD2    H   1    7.151     0.003   .   1   .   180   .   .   24    PHE   HD2    .   25955   1
      194   .   1   1   24    24    PHE   HE1    H   1    7.221     0.013   .   1   .   181   .   .   24    PHE   HE1    .   25955   1
      195   .   1   1   24    24    PHE   HE2    H   1    7.221     0.013   .   1   .   182   .   .   24    PHE   HE2    .   25955   1
      196   .   1   1   24    24    PHE   HZ     H   1    7.244     0.025   .   1   .   183   .   .   24    PHE   HZ     .   25955   1
      197   .   1   1   24    24    PHE   C      C   13   177.289   .       .   1   .   172   .   .   24    PHE   C      .   25955   1
      198   .   1   1   24    24    PHE   CA     C   13   61.161    0.278   .   1   .   173   .   .   24    PHE   CA     .   25955   1
      199   .   1   1   24    24    PHE   CB     C   13   40.116    0.064   .   1   .   174   .   .   24    PHE   CB     .   25955   1
      200   .   1   1   24    24    PHE   N      N   15   119.069   0.053   .   1   .   184   .   .   24    PHE   N      .   25955   1
      201   .   1   1   25    25    LEU   H      H   1    8.053     0.007   .   1   .   188   .   .   25    LEU   H      .   25955   1
      202   .   1   1   25    25    LEU   HA     H   1    3.891     0.004   .   1   .   189   .   .   25    LEU   HA     .   25955   1
      203   .   1   1   25    25    LEU   HB2    H   1    1.770     0.015   .   2   .   190   .   .   25    LEU   HB2    .   25955   1
      204   .   1   1   25    25    LEU   HB3    H   1    2.043     0.014   .   2   .   191   .   .   25    LEU   HB3    .   25955   1
      205   .   1   1   25    25    LEU   HG     H   1    1.302     0.013   .   1   .   194   .   .   25    LEU   HG     .   25955   1
      206   .   1   1   25    25    LEU   HD11   H   1    0.756     0.002   .   2   .   192   .   .   25    LEU   HD11   .   25955   1
      207   .   1   1   25    25    LEU   HD12   H   1    0.756     0.002   .   2   .   192   .   .   25    LEU   HD12   .   25955   1
      208   .   1   1   25    25    LEU   HD13   H   1    0.756     0.002   .   2   .   192   .   .   25    LEU   HD13   .   25955   1
      209   .   1   1   25    25    LEU   HD21   H   1    0.842     0.006   .   2   .   193   .   .   25    LEU   HD21   .   25955   1
      210   .   1   1   25    25    LEU   HD22   H   1    0.842     0.006   .   2   .   193   .   .   25    LEU   HD22   .   25955   1
      211   .   1   1   25    25    LEU   HD23   H   1    0.842     0.006   .   2   .   193   .   .   25    LEU   HD23   .   25955   1
      212   .   1   1   25    25    LEU   C      C   13   180.133   0.002   .   1   .   185   .   .   25    LEU   C      .   25955   1
      213   .   1   1   25    25    LEU   CA     C   13   56.947    0.086   .   1   .   186   .   .   25    LEU   CA     .   25955   1
      214   .   1   1   25    25    LEU   CB     C   13   41.592    0.221   .   1   .   187   .   .   25    LEU   CB     .   25955   1
      215   .   1   1   25    25    LEU   N      N   15   116.993   0.066   .   1   .   195   .   .   25    LEU   N      .   25955   1
      216   .   1   1   26    26    ASP   H      H   1    9.007     0.021   .   1   .   199   .   .   26    ASP   H      .   25955   1
      217   .   1   1   26    26    ASP   HA     H   1    4.135     0.006   .   1   .   200   .   .   26    ASP   HA     .   25955   1
      218   .   1   1   26    26    ASP   HB2    H   1    2.368     0.008   .   2   .   201   .   .   26    ASP   HB2    .   25955   1
      219   .   1   1   26    26    ASP   HB3    H   1    2.496     0.005   .   2   .   202   .   .   26    ASP   HB3    .   25955   1
      220   .   1   1   26    26    ASP   C      C   13   177.287   .       .   1   .   196   .   .   26    ASP   C      .   25955   1
      221   .   1   1   26    26    ASP   CA     C   13   57.391    0.092   .   1   .   197   .   .   26    ASP   CA     .   25955   1
      222   .   1   1   26    26    ASP   CB     C   13   42.652    0.018   .   1   .   198   .   .   26    ASP   CB     .   25955   1
      223   .   1   1   26    26    ASP   N      N   15   122.917   0.096   .   1   .   203   .   .   26    ASP   N      .   25955   1
      224   .   1   1   27    27    LYS   H      H   1    7.749     0.01    .   1   .   207   .   .   27    LYS   H      .   25955   1
      225   .   1   1   27    27    LYS   HA     H   1    4.227     0.004   .   1   .   208   .   .   27    LYS   HA     .   25955   1
      226   .   1   1   27    27    LYS   HB2    H   1    1.711     0.003   .   2   .   209   .   .   27    LYS   HB2    .   25955   1
      227   .   1   1   27    27    LYS   HB3    H   1    1.984     0.013   .   2   .   210   .   .   27    LYS   HB3    .   25955   1
      228   .   1   1   27    27    LYS   HG2    H   1    1.605     0.004   .   2   .   212   .   .   27    LYS   HG2    .   25955   1
      229   .   1   1   27    27    LYS   HG3    H   1    1.603     0.004   .   2   .   213   .   .   27    LYS   HG3    .   25955   1
      230   .   1   1   27    27    LYS   HD2    H   1    1.466     0.002   .   1   .   211   .   .   27    LYS   HD2    .   25955   1
      231   .   1   1   27    27    LYS   C      C   13   175.221   0.003   .   1   .   204   .   .   27    LYS   C      .   25955   1
      232   .   1   1   27    27    LYS   CA     C   13   55.429    0.102   .   1   .   205   .   .   27    LYS   CA     .   25955   1
      233   .   1   1   27    27    LYS   CB     C   13   31.765    0.012   .   1   .   206   .   .   27    LYS   CB     .   25955   1
      234   .   1   1   27    27    LYS   N      N   15   114.128   0.049   .   1   .   214   .   .   27    LYS   N      .   25955   1
      235   .   1   1   28    28    GLU   H      H   1    7.627     0.006   .   1   .   217   .   .   28    GLU   H      .   25955   1
      236   .   1   1   28    28    GLU   HA     H   1    3.646     0.009   .   1   .   218   .   .   28    GLU   HA     .   25955   1
      237   .   1   1   28    28    GLU   HB2    H   1    2.006     0.012   .   2   .   219   .   .   28    GLU   HB2    .   25955   1
      238   .   1   1   28    28    GLU   HB3    H   1    2.008     0.013   .   2   .   220   .   .   28    GLU   HB3    .   25955   1
      239   .   1   1   28    28    GLU   C      C   13   175.515   .       .   1   .   215   .   .   28    GLU   C      .   25955   1
      240   .   1   1   28    28    GLU   CA     C   13   57.643    0.091   .   1   .   216   .   .   28    GLU   CA     .   25955   1
      241   .   1   1   28    28    GLU   N      N   15   115.083   0.106   .   1   .   221   .   .   28    GLU   N      .   25955   1
      242   .   1   1   29    29    MET   H      H   1    8.399     0.012   .   1   .   222   .   .   29    MET   H      .   25955   1
      243   .   1   1   29    29    MET   N      N   15   121.614   0.091   .   1   .   223   .   .   29    MET   N      .   25955   1
      244   .   1   1   30    30    PRO   HA     H   1    4.416     0.003   .   1   .   227   .   .   30    PRO   HA     .   25955   1
      245   .   1   1   30    30    PRO   HB2    H   1    2.047     .       .   2   .   228   .   .   30    PRO   HB2    .   25955   1
      246   .   1   1   30    30    PRO   HB3    H   1    2.298     0.004   .   2   .   229   .   .   30    PRO   HB3    .   25955   1
      247   .   1   1   30    30    PRO   HD2    H   1    3.829     .       .   2   .   230   .   .   30    PRO   HD2    .   25955   1
      248   .   1   1   30    30    PRO   HD3    H   1    3.839     .       .   2   .   231   .   .   30    PRO   HD3    .   25955   1
      249   .   1   1   30    30    PRO   C      C   13   178.117   .       .   1   .   224   .   .   30    PRO   C      .   25955   1
      250   .   1   1   30    30    PRO   CA     C   13   63.076    .       .   1   .   225   .   .   30    PRO   CA     .   25955   1
      251   .   1   1   30    30    PRO   CB     C   13   32.015    .       .   1   .   226   .   .   30    PRO   CB     .   25955   1
      252   .   1   1   31    31    ASP   H      H   1    8.648     0.003   .   1   .   235   .   .   31    ASP   H      .   25955   1
      253   .   1   1   31    31    ASP   HA     H   1    4.451     0.02    .   1   .   236   .   .   31    ASP   HA     .   25955   1
      254   .   1   1   31    31    ASP   HB2    H   1    2.740     0.009   .   2   .   237   .   .   31    ASP   HB2    .   25955   1
      255   .   1   1   31    31    ASP   HB3    H   1    2.741     0.009   .   2   .   238   .   .   31    ASP   HB3    .   25955   1
      256   .   1   1   31    31    ASP   C      C   13   178.730   0.003   .   1   .   232   .   .   31    ASP   C      .   25955   1
      257   .   1   1   31    31    ASP   CA     C   13   57.438    0.167   .   1   .   233   .   .   31    ASP   CA     .   25955   1
      258   .   1   1   31    31    ASP   CB     C   13   40.712    0.041   .   1   .   234   .   .   31    ASP   CB     .   25955   1
      259   .   1   1   31    31    ASP   N      N   15   122.579   0.071   .   1   .   239   .   .   31    ASP   N      .   25955   1
      260   .   1   1   32    32    SER   H      H   1    8.434     0.004   .   1   .   242   .   .   32    SER   H      .   25955   1
      261   .   1   1   32    32    SER   HA     H   1    4.223     0.011   .   1   .   243   .   .   32    SER   HA     .   25955   1
      262   .   1   1   32    32    SER   HB2    H   1    3.909     0.005   .   2   .   244   .   .   32    SER   HB2    .   25955   1
      263   .   1   1   32    32    SER   HB3    H   1    4.001     0.004   .   2   .   245   .   .   32    SER   HB3    .   25955   1
      264   .   1   1   32    32    SER   CA     C   13   60.281    0.232   .   1   .   240   .   .   32    SER   CA     .   25955   1
      265   .   1   1   32    32    SER   CB     C   13   62.476    .       .   1   .   241   .   .   32    SER   CB     .   25955   1
      266   .   1   1   32    32    SER   N      N   15   113.260   0.046   .   1   .   246   .   .   32    SER   N      .   25955   1
      267   .   1   1   33    33    ASP   H      H   1    7.950     0.006   .   1   .   250   .   .   33    ASP   H      .   25955   1
      268   .   1   1   33    33    ASP   HA     H   1    4.799     0.01    .   1   .   251   .   .   33    ASP   HA     .   25955   1
      269   .   1   1   33    33    ASP   HB2    H   1    2.905     0.01    .   2   .   252   .   .   33    ASP   HB2    .   25955   1
      270   .   1   1   33    33    ASP   HB3    H   1    2.913     0.012   .   2   .   253   .   .   33    ASP   HB3    .   25955   1
      271   .   1   1   33    33    ASP   C      C   13   176.717   .       .   1   .   247   .   .   33    ASP   C      .   25955   1
      272   .   1   1   33    33    ASP   CA     C   13   55.321    0.035   .   1   .   248   .   .   33    ASP   CA     .   25955   1
      273   .   1   1   33    33    ASP   CB     C   13   42.065    0.09    .   1   .   249   .   .   33    ASP   CB     .   25955   1
      274   .   1   1   33    33    ASP   N      N   15   120.885   0.043   .   1   .   254   .   .   33    ASP   N      .   25955   1
      275   .   1   1   34    34    ALA   H      H   1    7.936     0.003   .   1   .   258   .   .   34    ALA   H      .   25955   1
      276   .   1   1   34    34    ALA   HA     H   1    3.821     0.012   .   1   .   259   .   .   34    ALA   HA     .   25955   1
      277   .   1   1   34    34    ALA   HB1    H   1    1.586     0.007   .   1   .   260   .   .   34    ALA   HB1    .   25955   1
      278   .   1   1   34    34    ALA   HB2    H   1    1.586     0.007   .   1   .   260   .   .   34    ALA   HB2    .   25955   1
      279   .   1   1   34    34    ALA   HB3    H   1    1.586     0.007   .   1   .   260   .   .   34    ALA   HB3    .   25955   1
      280   .   1   1   34    34    ALA   C      C   13   178.800   0.006   .   1   .   255   .   .   34    ALA   C      .   25955   1
      281   .   1   1   34    34    ALA   CA     C   13   54.382    0.089   .   1   .   256   .   .   34    ALA   CA     .   25955   1
      282   .   1   1   34    34    ALA   CB     C   13   18.814    0.028   .   1   .   257   .   .   34    ALA   CB     .   25955   1
      283   .   1   1   34    34    ALA   N      N   15   122.428   0.057   .   1   .   261   .   .   34    ALA   N      .   25955   1
      284   .   1   1   35    35    VAL   H      H   1    7.389     0.009   .   1   .   265   .   .   35    VAL   H      .   25955   1
      285   .   1   1   35    35    VAL   HA     H   1    3.899     0.002   .   1   .   266   .   .   35    VAL   HA     .   25955   1
      286   .   1   1   35    35    VAL   HB     H   1    2.131     0.007   .   1   .   267   .   .   35    VAL   HB     .   25955   1
      287   .   1   1   35    35    VAL   HG11   H   1    0.925     0.006   .   2   .   268   .   .   35    VAL   HG11   .   25955   1
      288   .   1   1   35    35    VAL   HG12   H   1    0.925     0.006   .   2   .   268   .   .   35    VAL   HG12   .   25955   1
      289   .   1   1   35    35    VAL   HG13   H   1    0.925     0.006   .   2   .   268   .   .   35    VAL   HG13   .   25955   1
      290   .   1   1   35    35    VAL   HG21   H   1    0.986     0.011   .   2   .   269   .   .   35    VAL   HG21   .   25955   1
      291   .   1   1   35    35    VAL   HG22   H   1    0.986     0.011   .   2   .   269   .   .   35    VAL   HG22   .   25955   1
      292   .   1   1   35    35    VAL   HG23   H   1    0.986     0.011   .   2   .   269   .   .   35    VAL   HG23   .   25955   1
      293   .   1   1   35    35    VAL   C      C   13   177.324   0.003   .   1   .   262   .   .   35    VAL   C      .   25955   1
      294   .   1   1   35    35    VAL   CA     C   13   64.416    0.121   .   1   .   263   .   .   35    VAL   CA     .   25955   1
      295   .   1   1   35    35    VAL   CB     C   13   31.380    .       .   1   .   264   .   .   35    VAL   CB     .   25955   1
      296   .   1   1   35    35    VAL   N      N   15   115.387   0.061   .   1   .   270   .   .   35    VAL   N      .   25955   1
      297   .   1   1   36    36    LYS   H      H   1    7.424     0.005   .   1   .   274   .   .   36    LYS   H      .   25955   1
      298   .   1   1   36    36    LYS   HA     H   1    4.023     0.01    .   1   .   275   .   .   36    LYS   HA     .   25955   1
      299   .   1   1   36    36    LYS   HB2    H   1    1.388     0.014   .   2   .   276   .   .   36    LYS   HB2    .   25955   1
      300   .   1   1   36    36    LYS   HB3    H   1    1.394     0.01    .   2   .   277   .   .   36    LYS   HB3    .   25955   1
      301   .   1   1   36    36    LYS   C      C   13   177.010   0.002   .   1   .   271   .   .   36    LYS   C      .   25955   1
      302   .   1   1   36    36    LYS   CA     C   13   58.135    0.127   .   1   .   272   .   .   36    LYS   CA     .   25955   1
      303   .   1   1   36    36    LYS   CB     C   13   31.468    0.037   .   1   .   273   .   .   36    LYS   CB     .   25955   1
      304   .   1   1   36    36    LYS   N      N   15   119.112   0.056   .   1   .   278   .   .   36    LYS   N      .   25955   1
      305   .   1   1   37    37    PHE   H      H   1    7.324     0.006   .   1   .   282   .   .   37    PHE   H      .   25955   1
      306   .   1   1   37    37    PHE   HA     H   1    4.201     0.008   .   1   .   283   .   .   37    PHE   HA     .   25955   1
      307   .   1   1   37    37    PHE   HB2    H   1    2.590     0.004   .   2   .   284   .   .   37    PHE   HB2    .   25955   1
      308   .   1   1   37    37    PHE   HB3    H   1    2.785     0.011   .   2   .   285   .   .   37    PHE   HB3    .   25955   1
      309   .   1   1   37    37    PHE   HD1    H   1    6.834     0.003   .   1   .   286   .   .   37    PHE   HD1    .   25955   1
      310   .   1   1   37    37    PHE   HD2    H   1    6.834     0.003   .   1   .   287   .   .   37    PHE   HD2    .   25955   1
      311   .   1   1   37    37    PHE   HE1    H   1    6.594     0.001   .   1   .   288   .   .   37    PHE   HE1    .   25955   1
      312   .   1   1   37    37    PHE   HE2    H   1    6.594     0.001   .   1   .   289   .   .   37    PHE   HE2    .   25955   1
      313   .   1   1   37    37    PHE   HZ     H   1    6.822     0.003   .   1   .   290   .   .   37    PHE   HZ     .   25955   1
      314   .   1   1   37    37    PHE   C      C   13   176.570   0.005   .   1   .   279   .   .   37    PHE   C      .   25955   1
      315   .   1   1   37    37    PHE   CA     C   13   59.532    0.023   .   1   .   280   .   .   37    PHE   CA     .   25955   1
      316   .   1   1   37    37    PHE   CB     C   13   39.510    0.034   .   1   .   281   .   .   37    PHE   CB     .   25955   1
      317   .   1   1   37    37    PHE   N      N   15   114.535   0.049   .   1   .   291   .   .   37    PHE   N      .   25955   1
      318   .   1   1   38    38    GLU   H      H   1    7.547     0.003   .   1   .   295   .   .   38    GLU   H      .   25955   1
      319   .   1   1   38    38    GLU   HA     H   1    3.708     0.005   .   1   .   296   .   .   38    GLU   HA     .   25955   1
      320   .   1   1   38    38    GLU   HB2    H   1    2.084     0.001   .   2   .   297   .   .   38    GLU   HB2    .   25955   1
      321   .   1   1   38    38    GLU   HB3    H   1    2.100     0.011   .   2   .   298   .   .   38    GLU   HB3    .   25955   1
      322   .   1   1   38    38    GLU   HG2    H   1    2.259     0.003   .   2   .   299   .   .   38    GLU   HG2    .   25955   1
      323   .   1   1   38    38    GLU   HG3    H   1    2.362     0.006   .   2   .   300   .   .   38    GLU   HG3    .   25955   1
      324   .   1   1   38    38    GLU   C      C   13   178.890   .       .   1   .   292   .   .   38    GLU   C      .   25955   1
      325   .   1   1   38    38    GLU   CA     C   13   60.119    0.066   .   1   .   293   .   .   38    GLU   CA     .   25955   1
      326   .   1   1   38    38    GLU   CB     C   13   29.493    .       .   1   .   294   .   .   38    GLU   CB     .   25955   1
      327   .   1   1   38    38    GLU   N      N   15   118.053   0.042   .   1   .   301   .   .   38    GLU   N      .   25955   1
      328   .   1   1   39    39    HIS   H      H   1    7.959     0.006   .   1   .   304   .   .   39    HIS   H      .   25955   1
      329   .   1   1   39    39    HIS   HB2    H   1    3.052     .       .   2   .   305   .   .   39    HIS   HB2    .   25955   1
      330   .   1   1   39    39    HIS   HB3    H   1    3.106     .       .   2   .   306   .   .   39    HIS   HB3    .   25955   1
      331   .   1   1   39    39    HIS   CA     C   13   58.526    .       .   1   .   302   .   .   39    HIS   CA     .   25955   1
      332   .   1   1   39    39    HIS   CB     C   13   28.351    .       .   1   .   303   .   .   39    HIS   CB     .   25955   1
      333   .   1   1   40    40    HIS   H      H   1    7.160     0.015   .   1   .   310   .   .   40    HIS   H      .   25955   1
      334   .   1   1   40    40    HIS   HA     H   1    4.301     .       .   1   .   311   .   .   40    HIS   HA     .   25955   1
      335   .   1   1   40    40    HIS   HB2    H   1    2.829     0.001   .   2   .   312   .   .   40    HIS   HB2    .   25955   1
      336   .   1   1   40    40    HIS   HB3    H   1    3.040     .       .   2   .   313   .   .   40    HIS   HB3    .   25955   1
      337   .   1   1   40    40    HIS   HD1    H   1    7.371     .       .   1   .   314   .   .   40    HIS   HD1    .   25955   1
      338   .   1   1   40    40    HIS   HD2    H   1    6.655     0.001   .   1   .   315   .   .   40    HIS   HD2    .   25955   1
      339   .   1   1   40    40    HIS   HE1    H   1    7.956     .       .   1   .   316   .   .   40    HIS   HE1    .   25955   1
      340   .   1   1   40    40    HIS   C      C   13   177.091   0.004   .   1   .   307   .   .   40    HIS   C      .   25955   1
      341   .   1   1   40    40    HIS   CA     C   13   57.395    0.003   .   1   .   308   .   .   40    HIS   CA     .   25955   1
      342   .   1   1   40    40    HIS   CB     C   13   29.042    0.005   .   1   .   309   .   .   40    HIS   CB     .   25955   1
      343   .   1   1   40    40    HIS   N      N   15   117.894   0.11    .   1   .   317   .   .   40    HIS   N      .   25955   1
      344   .   1   1   41    41    PHE   H      H   1    7.411     0.003   .   1   .   321   .   .   41    PHE   H      .   25955   1
      345   .   1   1   41    41    PHE   HA     H   1    4.814     0.019   .   1   .   322   .   .   41    PHE   HA     .   25955   1
      346   .   1   1   41    41    PHE   HB2    H   1    3.226     0.004   .   2   .   323   .   .   41    PHE   HB2    .   25955   1
      347   .   1   1   41    41    PHE   HB3    H   1    3.451     0.005   .   2   .   324   .   .   41    PHE   HB3    .   25955   1
      348   .   1   1   41    41    PHE   HD1    H   1    7.366     0.005   .   1   .   325   .   .   41    PHE   HD1    .   25955   1
      349   .   1   1   41    41    PHE   HD2    H   1    7.366     0.005   .   1   .   326   .   .   41    PHE   HD2    .   25955   1
      350   .   1   1   41    41    PHE   HE1    H   1    7.125     0.002   .   1   .   327   .   .   41    PHE   HE1    .   25955   1
      351   .   1   1   41    41    PHE   HE2    H   1    7.125     0.002   .   1   .   328   .   .   41    PHE   HE2    .   25955   1
      352   .   1   1   41    41    PHE   HZ     H   1    6.822     0.003   .   1   .   329   .   .   41    PHE   HZ     .   25955   1
      353   .   1   1   41    41    PHE   C      C   13   176.992   0.015   .   1   .   318   .   .   41    PHE   C      .   25955   1
      354   .   1   1   41    41    PHE   CA     C   13   57.118    0.046   .   1   .   319   .   .   41    PHE   CA     .   25955   1
      355   .   1   1   41    41    PHE   CB     C   13   37.995    0.084   .   1   .   320   .   .   41    PHE   CB     .   25955   1
      356   .   1   1   41    41    PHE   N      N   15   116.223   0.044   .   1   .   330   .   .   41    PHE   N      .   25955   1
      357   .   1   1   42    42    GLU   H      H   1    7.306     0.006   .   1   .   334   .   .   42    GLU   H      .   25955   1
      358   .   1   1   42    42    GLU   HA     H   1    4.434     0.006   .   1   .   335   .   .   42    GLU   HA     .   25955   1
      359   .   1   1   42    42    GLU   HB2    H   1    1.874     0.005   .   2   .   336   .   .   42    GLU   HB2    .   25955   1
      360   .   1   1   42    42    GLU   HB3    H   1    2.250     0.006   .   2   .   337   .   .   42    GLU   HB3    .   25955   1
      361   .   1   1   42    42    GLU   HG2    H   1    2.369     0.001   .   2   .   338   .   .   42    GLU   HG2    .   25955   1
      362   .   1   1   42    42    GLU   HG3    H   1    2.376     0.011   .   2   .   339   .   .   42    GLU   HG3    .   25955   1
      363   .   1   1   42    42    GLU   C      C   13   176.006   0.004   .   1   .   331   .   .   42    GLU   C      .   25955   1
      364   .   1   1   42    42    GLU   CA     C   13   55.602    0.07    .   1   .   332   .   .   42    GLU   CA     .   25955   1
      365   .   1   1   42    42    GLU   CB     C   13   30.215    0.088   .   1   .   333   .   .   42    GLU   CB     .   25955   1
      366   .   1   1   42    42    GLU   N      N   15   116.357   0.066   .   1   .   340   .   .   42    GLU   N      .   25955   1
      367   .   1   1   43    43    GLU   H      H   1    6.790     0.01    .   1   .   344   .   .   43    GLU   H      .   25955   1
      368   .   1   1   43    43    GLU   HA     H   1    4.154     0.007   .   1   .   345   .   .   43    GLU   HA     .   25955   1
      369   .   1   1   43    43    GLU   HB2    H   1    1.964     0.005   .   2   .   346   .   .   43    GLU   HB2    .   25955   1
      370   .   1   1   43    43    GLU   HB3    H   1    1.965     0.006   .   2   .   347   .   .   43    GLU   HB3    .   25955   1
      371   .   1   1   43    43    GLU   HG2    H   1    2.299     .       .   2   .   348   .   .   43    GLU   HG2    .   25955   1
      372   .   1   1   43    43    GLU   HG3    H   1    2.422     0.004   .   2   .   349   .   .   43    GLU   HG3    .   25955   1
      373   .   1   1   43    43    GLU   C      C   13   175.839   0.003   .   1   .   341   .   .   43    GLU   C      .   25955   1
      374   .   1   1   43    43    GLU   CA     C   13   55.413    0.156   .   1   .   342   .   .   43    GLU   CA     .   25955   1
      375   .   1   1   43    43    GLU   CB     C   13   30.349    0.115   .   1   .   343   .   .   43    GLU   CB     .   25955   1
      376   .   1   1   43    43    GLU   N      N   15   119.229   0.041   .   1   .   350   .   .   43    GLU   N      .   25955   1
      377   .   1   1   44    44    SER   H      H   1    8.547     0.008   .   1   .   354   .   .   44    SER   H      .   25955   1
      378   .   1   1   44    44    SER   HA     H   1    4.148     0.005   .   1   .   355   .   .   44    SER   HA     .   25955   1
      379   .   1   1   44    44    SER   HB2    H   1    3.875     0.001   .   2   .   356   .   .   44    SER   HB2    .   25955   1
      380   .   1   1   44    44    SER   HB3    H   1    3.878     0.004   .   2   .   357   .   .   44    SER   HB3    .   25955   1
      381   .   1   1   44    44    SER   C      C   13   175.801   0.06    .   1   .   351   .   .   44    SER   C      .   25955   1
      382   .   1   1   44    44    SER   CA     C   13   61.353    0.109   .   1   .   352   .   .   44    SER   CA     .   25955   1
      383   .   1   1   44    44    SER   CB     C   13   62.454    0.004   .   1   .   353   .   .   44    SER   CB     .   25955   1
      384   .   1   1   44    44    SER   N      N   15   116.757   0.061   .   1   .   358   .   .   44    SER   N      .   25955   1
      385   .   1   1   45    45    SER   H      H   1    8.156     0.005   .   1   .   361   .   .   45    SER   H      .   25955   1
      386   .   1   1   45    45    SER   HA     H   1    3.849     0.005   .   1   .   362   .   .   45    SER   HA     .   25955   1
      387   .   1   1   45    45    SER   HB2    H   1    3.653     0.004   .   1   .   363   .   .   45    SER   HB2    .   25955   1
      388   .   1   1   45    45    SER   HB3    H   1    3.653     0.004   .   1   .   364   .   .   45    SER   HB3    .   25955   1
      389   .   1   1   45    45    SER   C      C   13   183.466   .       .   1   .   359   .   .   45    SER   C      .   25955   1
      390   .   1   1   45    45    SER   CA     C   13   54.811    .       .   1   .   360   .   .   45    SER   CA     .   25955   1
      391   .   1   1   45    45    SER   N      N   15   115.937   0.064   .   1   .   365   .   .   45    SER   N      .   25955   1
      392   .   1   1   46    46    PRO   HA     H   1    4.785     0.019   .   1   .   369   .   .   46    PRO   HA     .   25955   1
      393   .   1   1   46    46    PRO   HB2    H   1    2.055     .       .   1   .   370   .   .   46    PRO   HB2    .   25955   1
      394   .   1   1   46    46    PRO   C      C   13   179.599   .       .   1   .   366   .   .   46    PRO   C      .   25955   1
      395   .   1   1   46    46    PRO   CA     C   13   63.801    .       .   1   .   367   .   .   46    PRO   CA     .   25955   1
      396   .   1   1   46    46    PRO   CB     C   13   32.356    .       .   1   .   368   .   .   46    PRO   CB     .   25955   1
      397   .   1   1   47    47    CYS   H      H   1    9.291     0.004   .   1   .   374   .   .   47    CYS   H      .   25955   1
      398   .   1   1   47    47    CYS   HA     H   1    4.368     0.002   .   1   .   375   .   .   47    CYS   HA     .   25955   1
      399   .   1   1   47    47    CYS   HB2    H   1    3.180     0.004   .   2   .   376   .   .   47    CYS   HB2    .   25955   1
      400   .   1   1   47    47    CYS   HB3    H   1    3.372     0.005   .   2   .   377   .   .   47    CYS   HB3    .   25955   1
      401   .   1   1   47    47    CYS   C      C   13   177.989   .       .   1   .   371   .   .   47    CYS   C      .   25955   1
      402   .   1   1   47    47    CYS   CA     C   13   60.379    0.019   .   1   .   372   .   .   47    CYS   CA     .   25955   1
      403   .   1   1   47    47    CYS   CB     C   13   29.232    0.071   .   1   .   373   .   .   47    CYS   CB     .   25955   1
      404   .   1   1   47    47    CYS   N      N   15   130.697   0.061   .   1   .   378   .   .   47    CYS   N      .   25955   1
      405   .   1   1   51    51    TYR   H      H   1    8.255     .       .   1   .   382   .   .   51    TYR   H      .   25955   1
      406   .   1   1   51    51    TYR   HA     H   1    4.203     0.005   .   1   .   383   .   .   51    TYR   HA     .   25955   1
      407   .   1   1   51    51    TYR   HB2    H   1    2.435     0.006   .   2   .   384   .   .   51    TYR   HB2    .   25955   1
      408   .   1   1   51    51    TYR   HB3    H   1    3.408     0.007   .   2   .   385   .   .   51    TYR   HB3    .   25955   1
      409   .   1   1   51    51    TYR   HD1    H   1    7.047     0.001   .   1   .   386   .   .   51    TYR   HD1    .   25955   1
      410   .   1   1   51    51    TYR   HD2    H   1    7.047     0.001   .   1   .   387   .   .   51    TYR   HD2    .   25955   1
      411   .   1   1   51    51    TYR   HE1    H   1    6.795     0.002   .   1   .   388   .   .   51    TYR   HE1    .   25955   1
      412   .   1   1   51    51    TYR   HE2    H   1    6.795     0.002   .   1   .   389   .   .   51    TYR   HE2    .   25955   1
      413   .   1   1   51    51    TYR   C      C   13   176.096   .       .   1   .   379   .   .   51    TYR   C      .   25955   1
      414   .   1   1   51    51    TYR   CA     C   13   56.453    .       .   1   .   380   .   .   51    TYR   CA     .   25955   1
      415   .   1   1   51    51    TYR   CB     C   13   40.296    0.021   .   1   .   381   .   .   51    TYR   CB     .   25955   1
      416   .   1   1   52    52    GLY   H      H   1    8.042     0.006   .   1   .   392   .   .   52    GLY   H      .   25955   1
      417   .   1   1   52    52    GLY   HA2    H   1    3.899     .       .   2   .   393   .   .   52    GLY   HA2    .   25955   1
      418   .   1   1   52    52    GLY   HA3    H   1    3.987     0.004   .   2   .   394   .   .   52    GLY   HA3    .   25955   1
      419   .   1   1   52    52    GLY   C      C   13   174.808   .       .   1   .   390   .   .   52    GLY   C      .   25955   1
      420   .   1   1   52    52    GLY   CA     C   13   46.759    0.137   .   1   .   391   .   .   52    GLY   CA     .   25955   1
      421   .   1   1   52    52    GLY   N      N   15   108.177   0.045   .   1   .   395   .   .   52    GLY   N      .   25955   1
      422   .   1   1   53    53    LEU   H      H   1    8.234     0.011   .   1   .   399   .   .   53    LEU   H      .   25955   1
      423   .   1   1   53    53    LEU   HB2    H   1    1.632     .       .   1   .   400   .   .   53    LEU   HB2    .   25955   1
      424   .   1   1   53    53    LEU   HD11   H   1    0.666     0.002   .   1   .   401   .   .   53    LEU   HD11   .   25955   1
      425   .   1   1   53    53    LEU   HD12   H   1    0.666     0.002   .   1   .   401   .   .   53    LEU   HD12   .   25955   1
      426   .   1   1   53    53    LEU   HD13   H   1    0.666     0.002   .   1   .   401   .   .   53    LEU   HD13   .   25955   1
      427   .   1   1   53    53    LEU   HD21   H   1    0.666     0.002   .   1   .   402   .   .   53    LEU   HD21   .   25955   1
      428   .   1   1   53    53    LEU   HD22   H   1    0.666     0.002   .   1   .   402   .   .   53    LEU   HD22   .   25955   1
      429   .   1   1   53    53    LEU   HD23   H   1    0.666     0.002   .   1   .   402   .   .   53    LEU   HD23   .   25955   1
      430   .   1   1   53    53    LEU   C      C   13   177.074   .       .   1   .   396   .   .   53    LEU   C      .   25955   1
      431   .   1   1   53    53    LEU   CA     C   13   54.313    .       .   1   .   397   .   .   53    LEU   CA     .   25955   1
      432   .   1   1   53    53    LEU   CB     C   13   40.499    0.019   .   1   .   398   .   .   53    LEU   CB     .   25955   1
      433   .   1   1   53    53    LEU   N      N   15   119.148   0.1     .   1   .   403   .   .   53    LEU   N      .   25955   1
      434   .   1   1   54    54    GLU   HA     H   1    3.661     0.005   .   1   .   407   .   .   54    GLU   HA     .   25955   1
      435   .   1   1   54    54    GLU   HB2    H   1    1.819     .       .   1   .   408   .   .   54    GLU   HB2    .   25955   1
      436   .   1   1   54    54    GLU   C      C   13   176.910   .       .   1   .   404   .   .   54    GLU   C      .   25955   1
      437   .   1   1   54    54    GLU   CA     C   13   61.384    .       .   1   .   405   .   .   54    GLU   CA     .   25955   1
      438   .   1   1   54    54    GLU   CB     C   13   29.618    .       .   1   .   406   .   .   54    GLU   CB     .   25955   1
      439   .   1   1   55    55    GLN   H      H   1    8.462     0.008   .   1   .   412   .   .   55    GLN   H      .   25955   1
      440   .   1   1   55    55    GLN   HA     H   1    3.894     0.006   .   1   .   413   .   .   55    GLN   HA     .   25955   1
      441   .   1   1   55    55    GLN   HB2    H   1    2.005     0.007   .   2   .   414   .   .   55    GLN   HB2    .   25955   1
      442   .   1   1   55    55    GLN   HB3    H   1    2.089     0.002   .   2   .   415   .   .   55    GLN   HB3    .   25955   1
      443   .   1   1   55    55    GLN   HG2    H   1    2.370     0.002   .   2   .   418   .   .   55    GLN   HG2    .   25955   1
      444   .   1   1   55    55    GLN   HG3    H   1    2.435     0.004   .   2   .   419   .   .   55    GLN   HG3    .   25955   1
      445   .   1   1   55    55    GLN   HE21   H   1    6.919     0.002   .   1   .   416   .   .   55    GLN   HE21   .   25955   1
      446   .   1   1   55    55    GLN   HE22   H   1    7.664     0.002   .   1   .   417   .   .   55    GLN   HE22   .   25955   1
      447   .   1   1   55    55    GLN   C      C   13   178.810   0.005   .   1   .   409   .   .   55    GLN   C      .   25955   1
      448   .   1   1   55    55    GLN   CA     C   13   58.756    0.257   .   1   .   410   .   .   55    GLN   CA     .   25955   1
      449   .   1   1   55    55    GLN   CB     C   13   27.950    0.257   .   1   .   411   .   .   55    GLN   CB     .   25955   1
      450   .   1   1   55    55    GLN   N      N   15   116.798   0.052   .   1   .   420   .   .   55    GLN   N      .   25955   1
      451   .   1   1   55    55    GLN   NE2    N   15   113.307   0.01    .   1   .   421   .   .   55    GLN   NE2    .   25955   1
      452   .   1   1   56    56    ALA   H      H   1    8.408     0.018   .   1   .   425   .   .   56    ALA   H      .   25955   1
      453   .   1   1   56    56    ALA   HA     H   1    3.968     0.004   .   1   .   426   .   .   56    ALA   HA     .   25955   1
      454   .   1   1   56    56    ALA   HB1    H   1    1.306     0.011   .   1   .   427   .   .   56    ALA   HB1    .   25955   1
      455   .   1   1   56    56    ALA   HB2    H   1    1.306     0.011   .   1   .   427   .   .   56    ALA   HB2    .   25955   1
      456   .   1   1   56    56    ALA   HB3    H   1    1.306     0.011   .   1   .   427   .   .   56    ALA   HB3    .   25955   1
      457   .   1   1   56    56    ALA   C      C   13   179.040   0.003   .   1   .   422   .   .   56    ALA   C      .   25955   1
      458   .   1   1   56    56    ALA   CA     C   13   54.921    0.06    .   1   .   423   .   .   56    ALA   CA     .   25955   1
      459   .   1   1   56    56    ALA   CB     C   13   19.076    .       .   1   .   424   .   .   56    ALA   CB     .   25955   1
      460   .   1   1   56    56    ALA   N      N   15   121.506   0.076   .   1   .   428   .   .   56    ALA   N      .   25955   1
      461   .   1   1   57    57    VAL   H      H   1    8.111     0.006   .   1   .   432   .   .   57    VAL   H      .   25955   1
      462   .   1   1   57    57    VAL   HA     H   1    3.491     0.005   .   1   .   433   .   .   57    VAL   HA     .   25955   1
      463   .   1   1   57    57    VAL   HB     H   1    2.136     0.001   .   1   .   434   .   .   57    VAL   HB     .   25955   1
      464   .   1   1   57    57    VAL   HG11   H   1    0.817     0.004   .   2   .   435   .   .   57    VAL   HG11   .   25955   1
      465   .   1   1   57    57    VAL   HG12   H   1    0.817     0.004   .   2   .   435   .   .   57    VAL   HG12   .   25955   1
      466   .   1   1   57    57    VAL   HG13   H   1    0.817     0.004   .   2   .   435   .   .   57    VAL   HG13   .   25955   1
      467   .   1   1   57    57    VAL   HG21   H   1    1.042     0.005   .   2   .   436   .   .   57    VAL   HG21   .   25955   1
      468   .   1   1   57    57    VAL   HG22   H   1    1.042     0.005   .   2   .   436   .   .   57    VAL   HG22   .   25955   1
      469   .   1   1   57    57    VAL   HG23   H   1    1.042     0.005   .   2   .   436   .   .   57    VAL   HG23   .   25955   1
      470   .   1   1   57    57    VAL   C      C   13   177.401   0.013   .   1   .   429   .   .   57    VAL   C      .   25955   1
      471   .   1   1   57    57    VAL   CA     C   13   67.007    0.148   .   1   .   430   .   .   57    VAL   CA     .   25955   1
      472   .   1   1   57    57    VAL   CB     C   13   31.221    .       .   1   .   431   .   .   57    VAL   CB     .   25955   1
      473   .   1   1   57    57    VAL   N      N   15   114.988   0.044   .   1   .   437   .   .   57    VAL   N      .   25955   1
      474   .   1   1   58    58    LYS   H      H   1    7.962     0.003   .   1   .   441   .   .   58    LYS   H      .   25955   1
      475   .   1   1   58    58    LYS   HA     H   1    3.399     0.007   .   1   .   442   .   .   58    LYS   HA     .   25955   1
      476   .   1   1   58    58    LYS   HB2    H   1    1.498     0.007   .   1   .   443   .   .   58    LYS   HB2    .   25955   1
      477   .   1   1   58    58    LYS   HB3    H   1    1.498     0.008   .   1   .   444   .   .   58    LYS   HB3    .   25955   1
      478   .   1   1   58    58    LYS   HG2    H   1    1.307     0.002   .   1   .   449   .   .   58    LYS   HG2    .   25955   1
      479   .   1   1   58    58    LYS   HG3    H   1    1.307     0.002   .   1   .   450   .   .   58    LYS   HG3    .   25955   1
      480   .   1   1   58    58    LYS   HD2    H   1    1.304     0.003   .   2   .   445   .   .   58    LYS   HD2    .   25955   1
      481   .   1   1   58    58    LYS   HD3    H   1    1.305     0.003   .   2   .   446   .   .   58    LYS   HD3    .   25955   1
      482   .   1   1   58    58    LYS   HE2    H   1    2.484     .       .   1   .   447   .   .   58    LYS   HE2    .   25955   1
      483   .   1   1   58    58    LYS   HE3    H   1    2.484     .       .   1   .   448   .   .   58    LYS   HE3    .   25955   1
      484   .   1   1   58    58    LYS   C      C   13   178.403   0.004   .   1   .   438   .   .   58    LYS   C      .   25955   1
      485   .   1   1   58    58    LYS   CA     C   13   60.488    0.262   .   1   .   439   .   .   58    LYS   CA     .   25955   1
      486   .   1   1   58    58    LYS   CB     C   13   31.938    0.063   .   1   .   440   .   .   58    LYS   CB     .   25955   1
      487   .   1   1   58    58    LYS   N      N   15   120.148   0.042   .   1   .   451   .   .   58    LYS   N      .   25955   1
      488   .   1   1   59    59    LYS   H      H   1    7.367     0.006   .   1   .   455   .   .   59    LYS   H      .   25955   1
      489   .   1   1   59    59    LYS   HA     H   1    3.947     0.006   .   1   .   456   .   .   59    LYS   HA     .   25955   1
      490   .   1   1   59    59    LYS   HB2    H   1    1.742     0.01    .   2   .   457   .   .   59    LYS   HB2    .   25955   1
      491   .   1   1   59    59    LYS   HB3    H   1    1.891     0.013   .   2   .   458   .   .   59    LYS   HB3    .   25955   1
      492   .   1   1   59    59    LYS   HG2    H   1    1.578     0.009   .   1   .   463   .   .   59    LYS   HG2    .   25955   1
      493   .   1   1   59    59    LYS   HG3    H   1    1.578     0.009   .   1   .   464   .   .   59    LYS   HG3    .   25955   1
      494   .   1   1   59    59    LYS   HD2    H   1    1.376     0.002   .   1   .   459   .   .   59    LYS   HD2    .   25955   1
      495   .   1   1   59    59    LYS   HD3    H   1    1.376     0.002   .   1   .   460   .   .   59    LYS   HD3    .   25955   1
      496   .   1   1   59    59    LYS   HE2    H   1    2.484     .       .   1   .   461   .   .   59    LYS   HE2    .   25955   1
      497   .   1   1   59    59    LYS   HE3    H   1    2.484     .       .   1   .   462   .   .   59    LYS   HE3    .   25955   1
      498   .   1   1   59    59    LYS   C      C   13   178.358   0.004   .   1   .   452   .   .   59    LYS   C      .   25955   1
      499   .   1   1   59    59    LYS   CA     C   13   58.866    0.136   .   1   .   453   .   .   59    LYS   CA     .   25955   1
      500   .   1   1   59    59    LYS   CB     C   13   32.341    0.199   .   1   .   454   .   .   59    LYS   CB     .   25955   1
      501   .   1   1   59    59    LYS   N      N   15   116.082   0.073   .   1   .   465   .   .   59    LYS   N      .   25955   1
      502   .   1   1   60    60    LEU   H      H   1    7.640     0.003   .   1   .   469   .   .   60    LEU   H      .   25955   1
      503   .   1   1   60    60    LEU   HA     H   1    4.112     0.009   .   1   .   470   .   .   60    LEU   HA     .   25955   1
      504   .   1   1   60    60    LEU   HB2    H   1    1.824     0.003   .   2   .   471   .   .   60    LEU   HB2    .   25955   1
      505   .   1   1   60    60    LEU   HB3    H   1    1.928     0.013   .   2   .   472   .   .   60    LEU   HB3    .   25955   1
      506   .   1   1   60    60    LEU   HG     H   1    1.540     0.004   .   1   .   475   .   .   60    LEU   HG     .   25955   1
      507   .   1   1   60    60    LEU   HD11   H   1    0.825     0.006   .   2   .   473   .   .   60    LEU   HD11   .   25955   1
      508   .   1   1   60    60    LEU   HD12   H   1    0.825     0.006   .   2   .   473   .   .   60    LEU   HD12   .   25955   1
      509   .   1   1   60    60    LEU   HD13   H   1    0.825     0.006   .   2   .   473   .   .   60    LEU   HD13   .   25955   1
      510   .   1   1   60    60    LEU   HD21   H   1    0.932     0.002   .   2   .   474   .   .   60    LEU   HD21   .   25955   1
      511   .   1   1   60    60    LEU   HD22   H   1    0.932     0.002   .   2   .   474   .   .   60    LEU   HD22   .   25955   1
      512   .   1   1   60    60    LEU   HD23   H   1    0.932     0.002   .   2   .   474   .   .   60    LEU   HD23   .   25955   1
      513   .   1   1   60    60    LEU   C      C   13   178.590   0.002   .   1   .   466   .   .   60    LEU   C      .   25955   1
      514   .   1   1   60    60    LEU   CA     C   13   57.244    0.066   .   1   .   467   .   .   60    LEU   CA     .   25955   1
      515   .   1   1   60    60    LEU   CB     C   13   42.489    0.199   .   1   .   468   .   .   60    LEU   CB     .   25955   1
      516   .   1   1   60    60    LEU   N      N   15   117.621   0.045   .   1   .   476   .   .   60    LEU   N      .   25955   1
      517   .   1   1   61    61    VAL   H      H   1    8.167     0.006   .   1   .   480   .   .   61    VAL   H      .   25955   1
      518   .   1   1   61    61    VAL   HA     H   1    4.010     0.016   .   1   .   481   .   .   61    VAL   HA     .   25955   1
      519   .   1   1   61    61    VAL   HB     H   1    2.236     0.014   .   1   .   482   .   .   61    VAL   HB     .   25955   1
      520   .   1   1   61    61    VAL   HG11   H   1    0.934     0.004   .   2   .   483   .   .   61    VAL   HG11   .   25955   1
      521   .   1   1   61    61    VAL   HG12   H   1    0.934     0.004   .   2   .   483   .   .   61    VAL   HG12   .   25955   1
      522   .   1   1   61    61    VAL   HG13   H   1    0.934     0.004   .   2   .   483   .   .   61    VAL   HG13   .   25955   1
      523   .   1   1   61    61    VAL   HG21   H   1    0.944     0.011   .   2   .   484   .   .   61    VAL   HG21   .   25955   1
      524   .   1   1   61    61    VAL   HG22   H   1    0.944     0.011   .   2   .   484   .   .   61    VAL   HG22   .   25955   1
      525   .   1   1   61    61    VAL   HG23   H   1    0.944     0.011   .   2   .   484   .   .   61    VAL   HG23   .   25955   1
      526   .   1   1   61    61    VAL   C      C   13   176.502   0.002   .   1   .   477   .   .   61    VAL   C      .   25955   1
      527   .   1   1   61    61    VAL   CA     C   13   64.082    0.231   .   1   .   478   .   .   61    VAL   CA     .   25955   1
      528   .   1   1   61    61    VAL   CB     C   13   32.167    0.131   .   1   .   479   .   .   61    VAL   CB     .   25955   1
      529   .   1   1   61    61    VAL   N      N   15   114.653   0.066   .   1   .   485   .   .   61    VAL   N      .   25955   1
      530   .   1   1   62    62    LYS   H      H   1    7.876     0.013   .   1   .   489   .   .   62    LYS   H      .   25955   1
      531   .   1   1   62    62    LYS   HA     H   1    4.327     0.007   .   1   .   490   .   .   62    LYS   HA     .   25955   1
      532   .   1   1   62    62    LYS   HB2    H   1    1.810     0.005   .   2   .   491   .   .   62    LYS   HB2    .   25955   1
      533   .   1   1   62    62    LYS   HB3    H   1    1.818     0.009   .   2   .   492   .   .   62    LYS   HB3    .   25955   1
      534   .   1   1   62    62    LYS   HG2    H   1    1.415     0.01    .   2   .   495   .   .   62    LYS   HG2    .   25955   1
      535   .   1   1   62    62    LYS   HG3    H   1    1.442     0.01    .   2   .   496   .   .   62    LYS   HG3    .   25955   1
      536   .   1   1   62    62    LYS   HD2    H   1    1.617     0.001   .   1   .   493   .   .   62    LYS   HD2    .   25955   1
      537   .   1   1   62    62    LYS   HD3    H   1    1.617     0.001   .   1   .   494   .   .   62    LYS   HD3    .   25955   1
      538   .   1   1   62    62    LYS   C      C   13   176.498   .       .   1   .   486   .   .   62    LYS   C      .   25955   1
      539   .   1   1   62    62    LYS   CA     C   13   56.424    0.152   .   1   .   487   .   .   62    LYS   CA     .   25955   1
      540   .   1   1   62    62    LYS   CB     C   13   31.426    0.006   .   1   .   488   .   .   62    LYS   CB     .   25955   1
      541   .   1   1   62    62    LYS   N      N   15   119.823   0.056   .   1   .   497   .   .   62    LYS   N      .   25955   1
      542   .   1   1   63    63    ARG   H      H   1    7.941     0.008   .   1   .   501   .   .   63    ARG   H      .   25955   1
      543   .   1   1   63    63    ARG   HA     H   1    4.241     0.004   .   1   .   502   .   .   63    ARG   HA     .   25955   1
      544   .   1   1   63    63    ARG   HB2    H   1    1.849     0.016   .   2   .   503   .   .   63    ARG   HB2    .   25955   1
      545   .   1   1   63    63    ARG   HB3    H   1    1.894     0.026   .   2   .   504   .   .   63    ARG   HB3    .   25955   1
      546   .   1   1   63    63    ARG   HG2    H   1    1.650     0.006   .   2   .   507   .   .   63    ARG   HG2    .   25955   1
      547   .   1   1   63    63    ARG   HG3    H   1    1.652     0.003   .   2   .   508   .   .   63    ARG   HG3    .   25955   1
      548   .   1   1   63    63    ARG   HD2    H   1    2.906     0.008   .   1   .   505   .   .   63    ARG   HD2    .   25955   1
      549   .   1   1   63    63    ARG   HD3    H   1    2.906     0.008   .   1   .   506   .   .   63    ARG   HD3    .   25955   1
      550   .   1   1   63    63    ARG   C      C   13   176.623   0.002   .   1   .   498   .   .   63    ARG   C      .   25955   1
      551   .   1   1   63    63    ARG   CA     C   13   56.603    0.184   .   1   .   499   .   .   63    ARG   CA     .   25955   1
      552   .   1   1   63    63    ARG   CB     C   13   29.811    0.048   .   1   .   500   .   .   63    ARG   CB     .   25955   1
      553   .   1   1   63    63    ARG   N      N   15   120.812   0.096   .   1   .   509   .   .   63    ARG   N      .   25955   1
      554   .   1   1   64    64    ALA   H      H   1    8.256     0.008   .   1   .   513   .   .   64    ALA   H      .   25955   1
      555   .   1   1   64    64    ALA   HA     H   1    4.310     0.007   .   1   .   514   .   .   64    ALA   HA     .   25955   1
      556   .   1   1   64    64    ALA   HB1    H   1    1.392     0.008   .   1   .   515   .   .   64    ALA   HB1    .   25955   1
      557   .   1   1   64    64    ALA   HB2    H   1    1.392     0.008   .   1   .   515   .   .   64    ALA   HB2    .   25955   1
      558   .   1   1   64    64    ALA   HB3    H   1    1.392     0.008   .   1   .   515   .   .   64    ALA   HB3    .   25955   1
      559   .   1   1   64    64    ALA   C      C   13   177.350   0.002   .   1   .   510   .   .   64    ALA   C      .   25955   1
      560   .   1   1   64    64    ALA   CA     C   13   52.405    0.168   .   1   .   511   .   .   64    ALA   CA     .   25955   1
      561   .   1   1   64    64    ALA   CB     C   13   19.363    0.069   .   1   .   512   .   .   64    ALA   CB     .   25955   1
      562   .   1   1   64    64    ALA   N      N   15   124.471   0.029   .   1   .   516   .   .   64    ALA   N      .   25955   1
      563   .   1   1   65    65    ALA   H      H   1    8.186     0.013   .   1   .   520   .   .   65    ALA   H      .   25955   1
      564   .   1   1   65    65    ALA   HA     H   1    4.299     0.005   .   1   .   521   .   .   65    ALA   HA     .   25955   1
      565   .   1   1   65    65    ALA   HB1    H   1    1.397     0.004   .   1   .   522   .   .   65    ALA   HB1    .   25955   1
      566   .   1   1   65    65    ALA   HB2    H   1    1.397     0.004   .   1   .   522   .   .   65    ALA   HB2    .   25955   1
      567   .   1   1   65    65    ALA   HB3    H   1    1.397     0.004   .   1   .   522   .   .   65    ALA   HB3    .   25955   1
      568   .   1   1   65    65    ALA   C      C   13   178.376   .       .   1   .   517   .   .   65    ALA   C      .   25955   1
      569   .   1   1   65    65    ALA   CA     C   13   52.712    0.013   .   1   .   518   .   .   65    ALA   CA     .   25955   1
      570   .   1   1   65    65    ALA   CB     C   13   18.965    0.023   .   1   .   519   .   .   65    ALA   CB     .   25955   1
      571   .   1   1   65    65    ALA   N      N   15   122.609   0.069   .   1   .   523   .   .   65    ALA   N      .   25955   1
      572   .   1   1   66    66    GLY   H      H   1    8.408     0.005   .   1   .   526   .   .   66    GLY   H      .   25955   1
      573   .   1   1   66    66    GLY   HA2    H   1    3.914     0.009   .   2   .   527   .   .   66    GLY   HA2    .   25955   1
      574   .   1   1   66    66    GLY   HA3    H   1    4.024     0.009   .   2   .   528   .   .   66    GLY   HA3    .   25955   1
      575   .   1   1   66    66    GLY   C      C   13   174.408   0.003   .   1   .   524   .   .   66    GLY   C      .   25955   1
      576   .   1   1   66    66    GLY   CA     C   13   45.365    0.139   .   1   .   525   .   .   66    GLY   CA     .   25955   1
      577   .   1   1   66    66    GLY   N      N   15   108.721   0.029   .   1   .   529   .   .   66    GLY   N      .   25955   1
      578   .   1   1   67    67    GLN   H      H   1    8.126     0.006   .   1   .   533   .   .   67    GLN   H      .   25955   1
      579   .   1   1   67    67    GLN   HA     H   1    4.339     0.01    .   1   .   534   .   .   67    GLN   HA     .   25955   1
      580   .   1   1   67    67    GLN   HB2    H   1    1.974     0.006   .   2   .   535   .   .   67    GLN   HB2    .   25955   1
      581   .   1   1   67    67    GLN   HB3    H   1    2.120     0.004   .   2   .   536   .   .   67    GLN   HB3    .   25955   1
      582   .   1   1   67    67    GLN   HG2    H   1    2.315     0.003   .   2   .   539   .   .   67    GLN   HG2    .   25955   1
      583   .   1   1   67    67    GLN   HG3    H   1    2.316     0.002   .   2   .   540   .   .   67    GLN   HG3    .   25955   1
      584   .   1   1   67    67    GLN   HE21   H   1    6.858     0.001   .   1   .   537   .   .   67    GLN   HE21   .   25955   1
      585   .   1   1   67    67    GLN   HE22   H   1    7.604     0.001   .   1   .   538   .   .   67    GLN   HE22   .   25955   1
      586   .   1   1   67    67    GLN   C      C   13   175.648   .       .   1   .   530   .   .   67    GLN   C      .   25955   1
      587   .   1   1   67    67    GLN   CA     C   13   55.880    0.207   .   1   .   531   .   .   67    GLN   CA     .   25955   1
      588   .   1   1   67    67    GLN   CB     C   13   29.454    0.135   .   1   .   532   .   .   67    GLN   CB     .   25955   1
      589   .   1   1   67    67    GLN   N      N   15   119.438   0.108   .   1   .   541   .   .   67    GLN   N      .   25955   1
      590   .   1   1   67    67    GLN   NE2    N   15   112.645   0.001   .   1   .   542   .   .   67    GLN   NE2    .   25955   1
      591   .   1   1   68    68    ASP   H      H   1    8.350     0.009   .   1   .   546   .   .   68    ASP   H      .   25955   1
      592   .   1   1   68    68    ASP   HA     H   1    4.589     0.008   .   1   .   547   .   .   68    ASP   HA     .   25955   1
      593   .   1   1   68    68    ASP   HB2    H   1    2.571     0.006   .   2   .   548   .   .   68    ASP   HB2    .   25955   1
      594   .   1   1   68    68    ASP   HB3    H   1    2.674     0.011   .   2   .   549   .   .   68    ASP   HB3    .   25955   1
      595   .   1   1   68    68    ASP   C      C   13   175.661   .       .   1   .   543   .   .   68    ASP   C      .   25955   1
      596   .   1   1   68    68    ASP   CA     C   13   54.310    0.092   .   1   .   544   .   .   68    ASP   CA     .   25955   1
      597   .   1   1   68    68    ASP   CB     C   13   41.308    0.042   .   1   .   545   .   .   68    ASP   CB     .   25955   1
      598   .   1   1   68    68    ASP   N      N   15   120.629   0.049   .   1   .   550   .   .   68    ASP   N      .   25955   1
      599   .   1   1   69    69    ASP   H      H   1    8.256     0.011   .   1   .   554   .   .   69    ASP   H      .   25955   1
      600   .   1   1   69    69    ASP   HA     H   1    4.586     0.005   .   1   .   555   .   .   69    ASP   HA     .   25955   1
      601   .   1   1   69    69    ASP   HB2    H   1    2.582     0.002   .   2   .   556   .   .   69    ASP   HB2    .   25955   1
      602   .   1   1   69    69    ASP   HB3    H   1    2.583     0.002   .   2   .   557   .   .   69    ASP   HB3    .   25955   1
      603   .   1   1   69    69    ASP   C      C   13   175.832   0.005   .   1   .   551   .   .   69    ASP   C      .   25955   1
      604   .   1   1   69    69    ASP   CA     C   13   54.135    0.047   .   1   .   552   .   .   69    ASP   CA     .   25955   1
      605   .   1   1   69    69    ASP   CB     C   13   41.342    0.109   .   1   .   553   .   .   69    ASP   CB     .   25955   1
      606   .   1   1   69    69    ASP   N      N   15   120.172   0.052   .   1   .   558   .   .   69    ASP   N      .   25955   1
      607   .   1   1   70    70    VAL   H      H   1    8.244     0.005   .   1   .   562   .   .   70    VAL   H      .   25955   1
      608   .   1   1   70    70    VAL   HA     H   1    4.328     0.003   .   1   .   563   .   .   70    VAL   HA     .   25955   1
      609   .   1   1   70    70    VAL   HB     H   1    2.069     0.008   .   1   .   564   .   .   70    VAL   HB     .   25955   1
      610   .   1   1   70    70    VAL   HG11   H   1    0.931     0.003   .   2   .   565   .   .   70    VAL   HG11   .   25955   1
      611   .   1   1   70    70    VAL   HG12   H   1    0.931     0.003   .   2   .   565   .   .   70    VAL   HG12   .   25955   1
      612   .   1   1   70    70    VAL   HG13   H   1    0.931     0.003   .   2   .   565   .   .   70    VAL   HG13   .   25955   1
      613   .   1   1   70    70    VAL   HG21   H   1    0.933     0.002   .   2   .   566   .   .   70    VAL   HG21   .   25955   1
      614   .   1   1   70    70    VAL   HG22   H   1    0.933     0.002   .   2   .   566   .   .   70    VAL   HG22   .   25955   1
      615   .   1   1   70    70    VAL   HG23   H   1    0.933     0.002   .   2   .   566   .   .   70    VAL   HG23   .   25955   1
      616   .   1   1   70    70    VAL   C      C   13   174.503   .       .   1   .   559   .   .   70    VAL   C      .   25955   1
      617   .   1   1   70    70    VAL   CA     C   13   60.191    0.115   .   1   .   560   .   .   70    VAL   CA     .   25955   1
      618   .   1   1   70    70    VAL   CB     C   13   32.530    0.055   .   1   .   561   .   .   70    VAL   CB     .   25955   1
      619   .   1   1   70    70    VAL   N      N   15   121.653   0.094   .   1   .   567   .   .   70    VAL   N      .   25955   1
      620   .   1   1   71    71    PRO   HA     H   1    4.416     0.003   .   1   .   570   .   .   71    PRO   HA     .   25955   1
      621   .   1   1   71    71    PRO   HD2    H   1    3.592     0.012   .   2   .   571   .   .   71    PRO   HD2    .   25955   1
      622   .   1   1   71    71    PRO   HD3    H   1    3.949     0.001   .   2   .   572   .   .   71    PRO   HD3    .   25955   1
      623   .   1   1   71    71    PRO   C      C   13   178.338   .       .   1   .   568   .   .   71    PRO   C      .   25955   1
      624   .   1   1   71    71    PRO   CA     C   13   63.635    .       .   1   .   569   .   .   71    PRO   CA     .   25955   1
      625   .   1   1   72    72    GLY   H      H   1    8.759     0.007   .   1   .   575   .   .   72    GLY   H      .   25955   1
      626   .   1   1   72    72    GLY   HA2    H   1    3.867     0.009   .   2   .   576   .   .   72    GLY   HA2    .   25955   1
      627   .   1   1   72    72    GLY   HA3    H   1    3.965     0.008   .   2   .   577   .   .   72    GLY   HA3    .   25955   1
      628   .   1   1   72    72    GLY   C      C   13   174.808   .       .   1   .   573   .   .   72    GLY   C      .   25955   1
      629   .   1   1   72    72    GLY   CA     C   13   46.563    0.216   .   1   .   574   .   .   72    GLY   CA     .   25955   1
      630   .   1   1   72    72    GLY   N      N   15   110.046   0.078   .   1   .   578   .   .   72    GLY   N      .   25955   1
      631   .   1   1   73    73    ASP   HA     H   1    4.650     0.005   .   1   .   582   .   .   73    ASP   HA     .   25955   1
      632   .   1   1   73    73    ASP   HB2    H   1    2.649     0.007   .   2   .   583   .   .   73    ASP   HB2    .   25955   1
      633   .   1   1   73    73    ASP   HB3    H   1    2.830     0.012   .   2   .   584   .   .   73    ASP   HB3    .   25955   1
      634   .   1   1   73    73    ASP   C      C   13   177.072   .       .   1   .   579   .   .   73    ASP   C      .   25955   1
      635   .   1   1   73    73    ASP   CA     C   13   54.285    .       .   1   .   580   .   .   73    ASP   CA     .   25955   1
      636   .   1   1   73    73    ASP   CB     C   13   40.464    0.004   .   1   .   581   .   .   73    ASP   CB     .   25955   1
      637   .   1   1   74    74    LEU   H      H   1    7.633     0.015   .   1   .   588   .   .   74    LEU   H      .   25955   1
      638   .   1   1   74    74    LEU   HA     H   1    4.013     0.007   .   1   .   589   .   .   74    LEU   HA     .   25955   1
      639   .   1   1   74    74    LEU   HB2    H   1    1.598     0.015   .   2   .   590   .   .   74    LEU   HB2    .   25955   1
      640   .   1   1   74    74    LEU   HB3    H   1    1.731     0.004   .   2   .   591   .   .   74    LEU   HB3    .   25955   1
      641   .   1   1   74    74    LEU   HG     H   1    1.540     0.007   .   1   .   594   .   .   74    LEU   HG     .   25955   1
      642   .   1   1   74    74    LEU   HD11   H   1    0.917     0.009   .   2   .   592   .   .   74    LEU   HD11   .   25955   1
      643   .   1   1   74    74    LEU   HD12   H   1    0.917     0.009   .   2   .   592   .   .   74    LEU   HD12   .   25955   1
      644   .   1   1   74    74    LEU   HD13   H   1    0.917     0.009   .   2   .   592   .   .   74    LEU   HD13   .   25955   1
      645   .   1   1   74    74    LEU   HD21   H   1    0.930     0.001   .   2   .   593   .   .   74    LEU   HD21   .   25955   1
      646   .   1   1   74    74    LEU   HD22   H   1    0.930     0.001   .   2   .   593   .   .   74    LEU   HD22   .   25955   1
      647   .   1   1   74    74    LEU   HD23   H   1    0.930     0.001   .   2   .   593   .   .   74    LEU   HD23   .   25955   1
      648   .   1   1   74    74    LEU   C      C   13   178.200   0.001   .   1   .   585   .   .   74    LEU   C      .   25955   1
      649   .   1   1   74    74    LEU   CA     C   13   58.369    0.175   .   1   .   586   .   .   74    LEU   CA     .   25955   1
      650   .   1   1   74    74    LEU   CB     C   13   42.088    0.155   .   1   .   587   .   .   74    LEU   CB     .   25955   1
      651   .   1   1   74    74    LEU   N      N   15   121.804   0.092   .   1   .   595   .   .   74    LEU   N      .   25955   1
      652   .   1   1   75    75    ARG   H      H   1    8.624     0.014   .   1   .   599   .   .   75    ARG   H      .   25955   1
      653   .   1   1   75    75    ARG   HA     H   1    3.678     0.006   .   1   .   600   .   .   75    ARG   HA     .   25955   1
      654   .   1   1   75    75    ARG   HB2    H   1    1.847     0.003   .   1   .   601   .   .   75    ARG   HB2    .   25955   1
      655   .   1   1   75    75    ARG   HB3    H   1    1.847     0.003   .   1   .   602   .   .   75    ARG   HB3    .   25955   1
      656   .   1   1   75    75    ARG   HG2    H   1    1.752     0.005   .   1   .   605   .   .   75    ARG   HG2    .   25955   1
      657   .   1   1   75    75    ARG   HG3    H   1    1.752     0.005   .   1   .   606   .   .   75    ARG   HG3    .   25955   1
      658   .   1   1   75    75    ARG   HD2    H   1    3.057     0.002   .   2   .   603   .   .   75    ARG   HD2    .   25955   1
      659   .   1   1   75    75    ARG   HD3    H   1    3.223     .       .   2   .   604   .   .   75    ARG   HD3    .   25955   1
      660   .   1   1   75    75    ARG   C      C   13   177.468   0.003   .   1   .   596   .   .   75    ARG   C      .   25955   1
      661   .   1   1   75    75    ARG   CA     C   13   60.786    0.175   .   1   .   597   .   .   75    ARG   CA     .   25955   1
      662   .   1   1   75    75    ARG   CB     C   13   29.550    0.035   .   1   .   598   .   .   75    ARG   CB     .   25955   1
      663   .   1   1   75    75    ARG   N      N   15   118.980   0.056   .   1   .   607   .   .   75    ARG   N      .   25955   1
      664   .   1   1   76    76    ALA   H      H   1    7.986     0.009   .   1   .   611   .   .   76    ALA   H      .   25955   1
      665   .   1   1   76    76    ALA   HA     H   1    4.067     0.005   .   1   .   612   .   .   76    ALA   HA     .   25955   1
      666   .   1   1   76    76    ALA   HB1    H   1    1.445     0.008   .   1   .   613   .   .   76    ALA   HB1    .   25955   1
      667   .   1   1   76    76    ALA   HB2    H   1    1.445     0.008   .   1   .   613   .   .   76    ALA   HB2    .   25955   1
      668   .   1   1   76    76    ALA   HB3    H   1    1.445     0.008   .   1   .   613   .   .   76    ALA   HB3    .   25955   1
      669   .   1   1   76    76    ALA   C      C   13   181.517   0.002   .   1   .   608   .   .   76    ALA   C      .   25955   1
      670   .   1   1   76    76    ALA   CA     C   13   55.050    0.077   .   1   .   609   .   .   76    ALA   CA     .   25955   1
      671   .   1   1   76    76    ALA   CB     C   13   18.181    0.062   .   1   .   610   .   .   76    ALA   CB     .   25955   1
      672   .   1   1   76    76    ALA   N      N   15   120.288   0.037   .   1   .   614   .   .   76    ALA   N      .   25955   1
      673   .   1   1   77    77    LYS   H      H   1    8.146     0.004   .   1   .   618   .   .   77    LYS   H      .   25955   1
      674   .   1   1   77    77    LYS   HA     H   1    4.070     0.008   .   1   .   619   .   .   77    LYS   HA     .   25955   1
      675   .   1   1   77    77    LYS   HB2    H   1    1.836     0.013   .   2   .   620   .   .   77    LYS   HB2    .   25955   1
      676   .   1   1   77    77    LYS   HB3    H   1    1.975     0.006   .   2   .   621   .   .   77    LYS   HB3    .   25955   1
      677   .   1   1   77    77    LYS   HD2    H   1    1.639     0.006   .   2   .   622   .   .   77    LYS   HD2    .   25955   1
      678   .   1   1   77    77    LYS   HD3    H   1    1.641     0.006   .   2   .   623   .   .   77    LYS   HD3    .   25955   1
      679   .   1   1   77    77    LYS   C      C   13   180.376   0.002   .   1   .   615   .   .   77    LYS   C      .   25955   1
      680   .   1   1   77    77    LYS   CA     C   13   59.441    0.141   .   1   .   616   .   .   77    LYS   CA     .   25955   1
      681   .   1   1   77    77    LYS   CB     C   13   32.101    0.117   .   1   .   617   .   .   77    LYS   CB     .   25955   1
      682   .   1   1   77    77    LYS   N      N   15   119.940   0.084   .   1   .   624   .   .   77    LYS   N      .   25955   1
      683   .   1   1   78    78    VAL   H      H   1    8.570     0.014   .   1   .   628   .   .   78    VAL   H      .   25955   1
      684   .   1   1   78    78    VAL   HA     H   1    3.475     0.006   .   1   .   629   .   .   78    VAL   HA     .   25955   1
      685   .   1   1   78    78    VAL   HB     H   1    2.033     0.008   .   1   .   630   .   .   78    VAL   HB     .   25955   1
      686   .   1   1   78    78    VAL   HG11   H   1    0.753     0.006   .   2   .   631   .   .   78    VAL   HG11   .   25955   1
      687   .   1   1   78    78    VAL   HG12   H   1    0.753     0.006   .   2   .   631   .   .   78    VAL   HG12   .   25955   1
      688   .   1   1   78    78    VAL   HG13   H   1    0.753     0.006   .   2   .   631   .   .   78    VAL   HG13   .   25955   1
      689   .   1   1   78    78    VAL   HG21   H   1    0.920     0.012   .   2   .   632   .   .   78    VAL   HG21   .   25955   1
      690   .   1   1   78    78    VAL   HG22   H   1    0.920     0.012   .   2   .   632   .   .   78    VAL   HG22   .   25955   1
      691   .   1   1   78    78    VAL   HG23   H   1    0.920     0.012   .   2   .   632   .   .   78    VAL   HG23   .   25955   1
      692   .   1   1   78    78    VAL   C      C   13   177.721   .       .   1   .   625   .   .   78    VAL   C      .   25955   1
      693   .   1   1   78    78    VAL   CA     C   13   67.198    0.099   .   1   .   626   .   .   78    VAL   CA     .   25955   1
      694   .   1   1   78    78    VAL   CB     C   13   31.043    0.25    .   1   .   627   .   .   78    VAL   CB     .   25955   1
      695   .   1   1   78    78    VAL   N      N   15   120.988   0.049   .   1   .   633   .   .   78    VAL   N      .   25955   1
      696   .   1   1   79    79    MET   H      H   1    8.615     0.015   .   1   .   637   .   .   79    MET   H      .   25955   1
      697   .   1   1   79    79    MET   HA     H   1    3.912     0.009   .   1   .   638   .   .   79    MET   HA     .   25955   1
      698   .   1   1   79    79    MET   HB2    H   1    2.024     0.018   .   2   .   639   .   .   79    MET   HB2    .   25955   1
      699   .   1   1   79    79    MET   HB3    H   1    2.205     0.017   .   2   .   640   .   .   79    MET   HB3    .   25955   1
      700   .   1   1   79    79    MET   HG2    H   1    2.602     0.003   .   1   .   642   .   .   79    MET   HG2    .   25955   1
      701   .   1   1   79    79    MET   HG3    H   1    2.602     0.003   .   1   .   643   .   .   79    MET   HG3    .   25955   1
      702   .   1   1   79    79    MET   HE1    H   1    1.679     0.001   .   1   .   641   .   .   79    MET   HE1    .   25955   1
      703   .   1   1   79    79    MET   HE2    H   1    1.679     0.001   .   1   .   641   .   .   79    MET   HE2    .   25955   1
      704   .   1   1   79    79    MET   HE3    H   1    1.679     0.001   .   1   .   641   .   .   79    MET   HE3    .   25955   1
      705   .   1   1   79    79    MET   C      C   13   177.993   0.001   .   1   .   634   .   .   79    MET   C      .   25955   1
      706   .   1   1   79    79    MET   CA     C   13   60.049    0.174   .   1   .   635   .   .   79    MET   CA     .   25955   1
      707   .   1   1   79    79    MET   CB     C   13   32.357    0.188   .   1   .   636   .   .   79    MET   CB     .   25955   1
      708   .   1   1   79    79    MET   N      N   15   119.093   0.036   .   1   .   644   .   .   79    MET   N      .   25955   1
      709   .   1   1   80    80    GLY   H      H   1    8.246     0.01    .   1   .   647   .   .   80    GLY   H      .   25955   1
      710   .   1   1   80    80    GLY   HA2    H   1    3.896     0.004   .   2   .   648   .   .   80    GLY   HA2    .   25955   1
      711   .   1   1   80    80    GLY   HA3    H   1    3.982     0.003   .   2   .   649   .   .   80    GLY   HA3    .   25955   1
      712   .   1   1   80    80    GLY   C      C   13   176.647   0.003   .   1   .   645   .   .   80    GLY   C      .   25955   1
      713   .   1   1   80    80    GLY   CA     C   13   46.976    0.13    .   1   .   646   .   .   80    GLY   CA     .   25955   1
      714   .   1   1   80    80    GLY   N      N   15   105.099   0.078   .   1   .   650   .   .   80    GLY   N      .   25955   1
      715   .   1   1   81    81    ARG   H      H   1    7.702     0.014   .   1   .   654   .   .   81    ARG   H      .   25955   1
      716   .   1   1   81    81    ARG   HA     H   1    4.240     0.007   .   1   .   655   .   .   81    ARG   HA     .   25955   1
      717   .   1   1   81    81    ARG   HB2    H   1    2.012     0.001   .   1   .   656   .   .   81    ARG   HB2    .   25955   1
      718   .   1   1   81    81    ARG   HB3    H   1    2.012     0.001   .   1   .   657   .   .   81    ARG   HB3    .   25955   1
      719   .   1   1   81    81    ARG   HG2    H   1    1.908     0.004   .   2   .   659   .   .   81    ARG   HG2    .   25955   1
      720   .   1   1   81    81    ARG   HG3    H   1    1.910     0.004   .   2   .   660   .   .   81    ARG   HG3    .   25955   1
      721   .   1   1   81    81    ARG   HD2    H   1    3.288     0.001   .   1   .   658   .   .   81    ARG   HD2    .   25955   1
      722   .   1   1   81    81    ARG   C      C   13   178.428   0.004   .   1   .   651   .   .   81    ARG   C      .   25955   1
      723   .   1   1   81    81    ARG   CA     C   13   58.413    .       .   1   .   652   .   .   81    ARG   CA     .   25955   1
      724   .   1   1   81    81    ARG   CB     C   13   29.106    .       .   1   .   653   .   .   81    ARG   CB     .   25955   1
      725   .   1   1   81    81    ARG   N      N   15   122.451   0.091   .   1   .   661   .   .   81    ARG   N      .   25955   1
      726   .   1   1   82    82    LEU   H      H   1    8.588     0.015   .   1   .   664   .   .   82    LEU   H      .   25955   1
      727   .   1   1   82    82    LEU   HA     H   1    3.974     0.009   .   1   .   665   .   .   82    LEU   HA     .   25955   1
      728   .   1   1   82    82    LEU   HB2    H   1    2.244     0.003   .   2   .   666   .   .   82    LEU   HB2    .   25955   1
      729   .   1   1   82    82    LEU   HB3    H   1    2.247     0.005   .   2   .   667   .   .   82    LEU   HB3    .   25955   1
      730   .   1   1   82    82    LEU   HG     H   1    1.517     0.003   .   1   .   670   .   .   82    LEU   HG     .   25955   1
      731   .   1   1   82    82    LEU   HD11   H   1    0.815     0.004   .   2   .   668   .   .   82    LEU   HD11   .   25955   1
      732   .   1   1   82    82    LEU   HD12   H   1    0.815     0.004   .   2   .   668   .   .   82    LEU   HD12   .   25955   1
      733   .   1   1   82    82    LEU   HD13   H   1    0.815     0.004   .   2   .   668   .   .   82    LEU   HD13   .   25955   1
      734   .   1   1   82    82    LEU   HD21   H   1    0.864     0.006   .   2   .   669   .   .   82    LEU   HD21   .   25955   1
      735   .   1   1   82    82    LEU   HD22   H   1    0.864     0.006   .   2   .   669   .   .   82    LEU   HD22   .   25955   1
      736   .   1   1   82    82    LEU   HD23   H   1    0.864     0.006   .   2   .   669   .   .   82    LEU   HD23   .   25955   1
      737   .   1   1   82    82    LEU   CA     C   13   58.150    0.065   .   1   .   662   .   .   82    LEU   CA     .   25955   1
      738   .   1   1   82    82    LEU   CB     C   13   41.613    0.13    .   1   .   663   .   .   82    LEU   CB     .   25955   1
      739   .   1   1   82    82    LEU   N      N   15   119.477   0.188   .   1   .   671   .   .   82    LEU   N      .   25955   1
      740   .   1   1   83    83    ASP   H      H   1    8.572     0.006   .   1   .   675   .   .   83    ASP   H      .   25955   1
      741   .   1   1   83    83    ASP   HA     H   1    4.414     0.008   .   1   .   676   .   .   83    ASP   HA     .   25955   1
      742   .   1   1   83    83    ASP   HB2    H   1    2.665     0.004   .   2   .   677   .   .   83    ASP   HB2    .   25955   1
      743   .   1   1   83    83    ASP   HB3    H   1    2.885     0.009   .   2   .   678   .   .   83    ASP   HB3    .   25955   1
      744   .   1   1   83    83    ASP   C      C   13   179.127   .       .   1   .   672   .   .   83    ASP   C      .   25955   1
      745   .   1   1   83    83    ASP   CA     C   13   57.505    0.197   .   1   .   673   .   .   83    ASP   CA     .   25955   1
      746   .   1   1   83    83    ASP   CB     C   13   40.707    0.174   .   1   .   674   .   .   83    ASP   CB     .   25955   1
      747   .   1   1   83    83    ASP   N      N   15   119.788   0.069   .   1   .   679   .   .   83    ASP   N      .   25955   1
      748   .   1   1   84    84    LEU   H      H   1    7.522     0.007   .   1   .   683   .   .   84    LEU   H      .   25955   1
      749   .   1   1   84    84    LEU   HA     H   1    4.049     0.01    .   1   .   684   .   .   84    LEU   HA     .   25955   1
      750   .   1   1   84    84    LEU   HB2    H   1    1.790     0.013   .   2   .   685   .   .   84    LEU   HB2    .   25955   1
      751   .   1   1   84    84    LEU   HB3    H   1    1.978     0.001   .   2   .   686   .   .   84    LEU   HB3    .   25955   1
      752   .   1   1   84    84    LEU   HG     H   1    1.581     0.001   .   1   .   689   .   .   84    LEU   HG     .   25955   1
      753   .   1   1   84    84    LEU   HD11   H   1    0.848     0.006   .   2   .   687   .   .   84    LEU   HD11   .   25955   1
      754   .   1   1   84    84    LEU   HD12   H   1    0.848     0.006   .   2   .   687   .   .   84    LEU   HD12   .   25955   1
      755   .   1   1   84    84    LEU   HD13   H   1    0.848     0.006   .   2   .   687   .   .   84    LEU   HD13   .   25955   1
      756   .   1   1   84    84    LEU   HD21   H   1    0.938     0.006   .   2   .   688   .   .   84    LEU   HD21   .   25955   1
      757   .   1   1   84    84    LEU   HD22   H   1    0.938     0.006   .   2   .   688   .   .   84    LEU   HD22   .   25955   1
      758   .   1   1   84    84    LEU   HD23   H   1    0.938     0.006   .   2   .   688   .   .   84    LEU   HD23   .   25955   1
      759   .   1   1   84    84    LEU   C      C   13   179.581   0.001   .   1   .   680   .   .   84    LEU   C      .   25955   1
      760   .   1   1   84    84    LEU   CA     C   13   58.061    0.125   .   1   .   681   .   .   84    LEU   CA     .   25955   1
      761   .   1   1   84    84    LEU   CB     C   13   41.881    0.077   .   1   .   682   .   .   84    LEU   CB     .   25955   1
      762   .   1   1   84    84    LEU   N      N   15   120.795   0.077   .   1   .   690   .   .   84    LEU   N      .   25955   1
      763   .   1   1   85    85    ILE   H      H   1    8.145     0.011   .   1   .   694   .   .   85    ILE   H      .   25955   1
      764   .   1   1   85    85    ILE   HA     H   1    3.750     0.008   .   1   .   695   .   .   85    ILE   HA     .   25955   1
      765   .   1   1   85    85    ILE   HB     H   1    1.715     0.018   .   1   .   696   .   .   85    ILE   HB     .   25955   1
      766   .   1   1   85    85    ILE   HG12   H   1    1.716     0.002   .   2   .   698   .   .   85    ILE   HG12   .   25955   1
      767   .   1   1   85    85    ILE   HG13   H   1    1.730     0.023   .   2   .   699   .   .   85    ILE   HG13   .   25955   1
      768   .   1   1   85    85    ILE   HG21   H   1    1.064     0.016   .   1   .   700   .   .   85    ILE   HG21   .   25955   1
      769   .   1   1   85    85    ILE   HG22   H   1    1.064     0.016   .   1   .   700   .   .   85    ILE   HG22   .   25955   1
      770   .   1   1   85    85    ILE   HG23   H   1    1.064     0.016   .   1   .   700   .   .   85    ILE   HG23   .   25955   1
      771   .   1   1   85    85    ILE   HD11   H   1    0.724     0.006   .   1   .   697   .   .   85    ILE   HD11   .   25955   1
      772   .   1   1   85    85    ILE   HD12   H   1    0.724     0.006   .   1   .   697   .   .   85    ILE   HD12   .   25955   1
      773   .   1   1   85    85    ILE   HD13   H   1    0.724     0.006   .   1   .   697   .   .   85    ILE   HD13   .   25955   1
      774   .   1   1   85    85    ILE   C      C   13   180.159   0.003   .   1   .   691   .   .   85    ILE   C      .   25955   1
      775   .   1   1   85    85    ILE   CA     C   13   64.959    0.206   .   1   .   692   .   .   85    ILE   CA     .   25955   1
      776   .   1   1   85    85    ILE   CB     C   13   38.967    0.121   .   1   .   693   .   .   85    ILE   CB     .   25955   1
      777   .   1   1   85    85    ILE   N      N   15   120.224   0.091   .   1   .   701   .   .   85    ILE   N      .   25955   1
      778   .   1   1   86    86    ARG   H      H   1    8.566     0.009   .   1   .   705   .   .   86    ARG   H      .   25955   1
      779   .   1   1   86    86    ARG   HA     H   1    4.018     0.004   .   1   .   706   .   .   86    ARG   HA     .   25955   1
      780   .   1   1   86    86    ARG   HB2    H   1    1.834     0.002   .   2   .   707   .   .   86    ARG   HB2    .   25955   1
      781   .   1   1   86    86    ARG   HB3    H   1    1.840     0.004   .   2   .   708   .   .   86    ARG   HB3    .   25955   1
      782   .   1   1   86    86    ARG   HG2    H   1    1.626     0.008   .   2   .   710   .   .   86    ARG   HG2    .   25955   1
      783   .   1   1   86    86    ARG   HG3    H   1    1.646     0.004   .   2   .   711   .   .   86    ARG   HG3    .   25955   1
      784   .   1   1   86    86    ARG   HE     H   1    8.308     0.005   .   1   .   709   .   .   86    ARG   HE     .   25955   1
      785   .   1   1   86    86    ARG   C      C   13   177.624   0.001   .   1   .   702   .   .   86    ARG   C      .   25955   1
      786   .   1   1   86    86    ARG   CA     C   13   58.892    0.093   .   1   .   703   .   .   86    ARG   CA     .   25955   1
      787   .   1   1   86    86    ARG   CB     C   13   30.173    0.054   .   1   .   704   .   .   86    ARG   CB     .   25955   1
      788   .   1   1   86    86    ARG   N      N   15   119.705   0.052   .   1   .   712   .   .   86    ARG   N      .   25955   1
      789   .   1   1   87    87    SER   H      H   1    7.758     0.011   .   1   .   716   .   .   87    SER   H      .   25955   1
      790   .   1   1   87    87    SER   HA     H   1    4.443     0.011   .   1   .   717   .   .   87    SER   HA     .   25955   1
      791   .   1   1   87    87    SER   HB2    H   1    3.999     0.009   .   2   .   718   .   .   87    SER   HB2    .   25955   1
      792   .   1   1   87    87    SER   HB3    H   1    4.071     0.005   .   2   .   719   .   .   87    SER   HB3    .   25955   1
      793   .   1   1   87    87    SER   C      C   13   175.226   .       .   1   .   713   .   .   87    SER   C      .   25955   1
      794   .   1   1   87    87    SER   CA     C   13   59.231    0.008   .   1   .   714   .   .   87    SER   CA     .   25955   1
      795   .   1   1   87    87    SER   CB     C   13   64.034    0.15    .   1   .   715   .   .   87    SER   CB     .   25955   1
      796   .   1   1   87    87    SER   N      N   15   112.746   0.072   .   1   .   720   .   .   87    SER   N      .   25955   1
      797   .   1   1   88    88    GLY   H      H   1    7.876     0.007   .   1   .   723   .   .   88    GLY   H      .   25955   1
      798   .   1   1   88    88    GLY   HA2    H   1    3.921     0.01    .   2   .   724   .   .   88    GLY   HA2    .   25955   1
      799   .   1   1   88    88    GLY   HA3    H   1    4.087     0.01    .   2   .   725   .   .   88    GLY   HA3    .   25955   1
      800   .   1   1   88    88    GLY   C      C   13   174.530   .       .   1   .   721   .   .   88    GLY   C      .   25955   1
      801   .   1   1   88    88    GLY   CA     C   13   45.943    0.215   .   1   .   722   .   .   88    GLY   CA     .   25955   1
      802   .   1   1   88    88    GLY   N      N   15   110.002   0.063   .   1   .   726   .   .   88    GLY   N      .   25955   1
      803   .   1   1   89    89    GLN   H      H   1    7.857     0.009   .   1   .   730   .   .   89    GLN   H      .   25955   1
      804   .   1   1   89    89    GLN   HA     H   1    4.384     0.01    .   1   .   731   .   .   89    GLN   HA     .   25955   1
      805   .   1   1   89    89    GLN   HB2    H   1    1.842     0.012   .   2   .   732   .   .   89    GLN   HB2    .   25955   1
      806   .   1   1   89    89    GLN   HB3    H   1    2.148     0.005   .   2   .   733   .   .   89    GLN   HB3    .   25955   1
      807   .   1   1   89    89    GLN   HG2    H   1    2.283     0.007   .   2   .   736   .   .   89    GLN   HG2    .   25955   1
      808   .   1   1   89    89    GLN   HG3    H   1    2.365     0.007   .   2   .   737   .   .   89    GLN   HG3    .   25955   1
      809   .   1   1   89    89    GLN   HE21   H   1    6.834     0.001   .   1   .   734   .   .   89    GLN   HE21   .   25955   1
      810   .   1   1   89    89    GLN   HE22   H   1    7.521     0.001   .   1   .   735   .   .   89    GLN   HE22   .   25955   1
      811   .   1   1   89    89    GLN   C      C   13   175.336   0.001   .   1   .   727   .   .   89    GLN   C      .   25955   1
      812   .   1   1   89    89    GLN   CA     C   13   55.345    0.219   .   1   .   728   .   .   89    GLN   CA     .   25955   1
      813   .   1   1   89    89    GLN   CB     C   13   30.201    .       .   1   .   729   .   .   89    GLN   CB     .   25955   1
      814   .   1   1   89    89    GLN   N      N   15   118.996   0.035   .   1   .   738   .   .   89    GLN   N      .   25955   1
      815   .   1   1   89    89    GLN   NE2    N   15   112.655   0.016   .   1   .   739   .   .   89    GLN   NE2    .   25955   1
      816   .   1   1   90    90    SER   H      H   1    8.247     0.008   .   1   .   743   .   .   90    SER   H      .   25955   1
      817   .   1   1   90    90    SER   HA     H   1    4.403     .       .   1   .   744   .   .   90    SER   HA     .   25955   1
      818   .   1   1   90    90    SER   HB2    H   1    3.793     0.01    .   1   .   745   .   .   90    SER   HB2    .   25955   1
      819   .   1   1   90    90    SER   HB3    H   1    3.793     0.01    .   1   .   746   .   .   90    SER   HB3    .   25955   1
      820   .   1   1   90    90    SER   C      C   13   173.951   0.003   .   1   .   740   .   .   90    SER   C      .   25955   1
      821   .   1   1   90    90    SER   CA     C   13   58.390    0.046   .   1   .   741   .   .   90    SER   CA     .   25955   1
      822   .   1   1   90    90    SER   CB     C   13   63.605    .       .   1   .   742   .   .   90    SER   CB     .   25955   1
      823   .   1   1   90    90    SER   N      N   15   115.979   0.079   .   1   .   747   .   .   90    SER   N      .   25955   1
      824   .   1   1   91    91    VAL   H      H   1    8.293     0.011   .   1   .   753   .   .   91    VAL   H      .   25955   1
      825   .   1   1   91    91    VAL   HA     H   1    4.406     0.006   .   1   .   754   .   .   91    VAL   HA     .   25955   1
      826   .   1   1   91    91    VAL   HB     H   1    2.061     0.008   .   1   .   755   .   .   91    VAL   HB     .   25955   1
      827   .   1   1   91    91    VAL   HG11   H   1    0.945     0.01    .   2   .   756   .   .   91    VAL   HG11   .   25955   1
      828   .   1   1   91    91    VAL   HG12   H   1    0.945     0.01    .   2   .   756   .   .   91    VAL   HG12   .   25955   1
      829   .   1   1   91    91    VAL   HG13   H   1    0.945     0.01    .   2   .   756   .   .   91    VAL   HG13   .   25955   1
      830   .   1   1   91    91    VAL   HG21   H   1    0.950     0.014   .   2   .   757   .   .   91    VAL   HG21   .   25955   1
      831   .   1   1   91    91    VAL   HG22   H   1    0.950     0.014   .   2   .   757   .   .   91    VAL   HG22   .   25955   1
      832   .   1   1   91    91    VAL   HG23   H   1    0.950     0.014   .   2   .   757   .   .   91    VAL   HG23   .   25955   1
      833   .   1   1   91    91    VAL   C      C   13   174.452   .       .   1   .   748   .   .   91    VAL   C      .   25955   1
      834   .   1   1   91    91    VAL   CA     C   13   59.541    0.245   .   1   .   749   .   .   91    VAL   CA     .   25955   1
      835   .   1   1   91    91    VAL   CB     C   13   32.544    0.097   .   1   .   750   .   .   91    VAL   CB     .   25955   1
      836   .   1   1   91    91    VAL   CG1    C   13   21.058    .       .   1   .   751   .   .   91    VAL   CG1    .   25955   1
      837   .   1   1   91    91    VAL   CG2    C   13   21.058    .       .   1   .   752   .   .   91    VAL   CG2    .   25955   1
      838   .   1   1   91    91    VAL   N      N   15   122.595   0.081   .   1   .   758   .   .   91    VAL   N      .   25955   1
      839   .   1   1   92    92    PRO   HA     H   1    4.443     0.002   .   1   .   762   .   .   92    PRO   HA     .   25955   1
      840   .   1   1   92    92    PRO   HD2    H   1    3.508     .       .   2   .   763   .   .   92    PRO   HD2    .   25955   1
      841   .   1   1   92    92    PRO   HD3    H   1    3.883     0.019   .   2   .   764   .   .   92    PRO   HD3    .   25955   1
      842   .   1   1   92    92    PRO   C      C   13   176.451   .       .   1   .   759   .   .   92    PRO   C      .   25955   1
      843   .   1   1   92    92    PRO   CA     C   13   63.041    .       .   1   .   760   .   .   92    PRO   CA     .   25955   1
      844   .   1   1   92    92    PRO   CB     C   13   32.169    .       .   1   .   761   .   .   92    PRO   CB     .   25955   1
      845   .   1   1   93    93    GLU   H      H   1    8.524     0.004   .   1   .   768   .   .   93    GLU   H      .   25955   1
      846   .   1   1   93    93    GLU   HA     H   1    4.141     0.005   .   1   .   769   .   .   93    GLU   HA     .   25955   1
      847   .   1   1   93    93    GLU   HB2    H   1    1.876     0.003   .   2   .   770   .   .   93    GLU   HB2    .   25955   1
      848   .   1   1   93    93    GLU   HB3    H   1    1.967     0.011   .   2   .   771   .   .   93    GLU   HB3    .   25955   1
      849   .   1   1   93    93    GLU   HG2    H   1    2.184     0.006   .   2   .   772   .   .   93    GLU   HG2    .   25955   1
      850   .   1   1   93    93    GLU   HG3    H   1    2.255     0.009   .   2   .   773   .   .   93    GLU   HG3    .   25955   1
      851   .   1   1   93    93    GLU   C      C   13   178.074   .       .   1   .   765   .   .   93    GLU   C      .   25955   1
      852   .   1   1   93    93    GLU   CA     C   13   57.030    0.228   .   1   .   766   .   .   93    GLU   CA     .   25955   1
      853   .   1   1   93    93    GLU   CB     C   13   29.946    .       .   1   .   767   .   .   93    GLU   CB     .   25955   1
      854   .   1   1   93    93    GLU   N      N   15   120.287   0.109   .   1   .   774   .   .   93    GLU   N      .   25955   1
      855   .   1   1   94    94    HIS   H      H   1    7.895     0.017   .   1   .   778   .   .   94    HIS   H      .   25955   1
      856   .   1   1   94    94    HIS   HA     H   1    4.613     0.003   .   1   .   779   .   .   94    HIS   HA     .   25955   1
      857   .   1   1   94    94    HIS   HB2    H   1    3.053     0.002   .   2   .   780   .   .   94    HIS   HB2    .   25955   1
      858   .   1   1   94    94    HIS   HB3    H   1    3.114     0.005   .   2   .   781   .   .   94    HIS   HB3    .   25955   1
      859   .   1   1   94    94    HIS   HD2    H   1    6.994     0.001   .   1   .   782   .   .   94    HIS   HD2    .   25955   1
      860   .   1   1   94    94    HIS   HE1    H   1    6.408     .       .   1   .   783   .   .   94    HIS   HE1    .   25955   1
      861   .   1   1   94    94    HIS   C      C   13   174.718   .       .   1   .   775   .   .   94    HIS   C      .   25955   1
      862   .   1   1   94    94    HIS   CA     C   13   55.543    0.012   .   1   .   776   .   .   94    HIS   CA     .   25955   1
      863   .   1   1   94    94    HIS   CB     C   13   30.765    0.031   .   1   .   777   .   .   94    HIS   CB     .   25955   1
      864   .   1   1   94    94    HIS   N      N   15   117.970   0.12    .   1   .   784   .   .   94    HIS   N      .   25955   1
      865   .   1   1   95    95    ASP   H      H   1    8.492     0.012   .   1   .   788   .   .   95    ASP   H      .   25955   1
      866   .   1   1   95    95    ASP   HA     H   1    4.580     0.009   .   1   .   789   .   .   95    ASP   HA     .   25955   1
      867   .   1   1   95    95    ASP   HB2    H   1    2.581     0.004   .   2   .   790   .   .   95    ASP   HB2    .   25955   1
      868   .   1   1   95    95    ASP   HB3    H   1    2.654     0.011   .   2   .   791   .   .   95    ASP   HB3    .   25955   1
      869   .   1   1   95    95    ASP   C      C   13   176.868   0.001   .   1   .   785   .   .   95    ASP   C      .   25955   1
      870   .   1   1   95    95    ASP   CA     C   13   54.435    0.206   .   1   .   786   .   .   95    ASP   CA     .   25955   1
      871   .   1   1   95    95    ASP   CB     C   13   41.546    0.165   .   1   .   787   .   .   95    ASP   CB     .   25955   1
      872   .   1   1   95    95    ASP   N      N   15   122.558   0.051   .   1   .   792   .   .   95    ASP   N      .   25955   1
      873   .   1   1   96    96    VAL   H      H   1    8.233     0.011   .   1   .   796   .   .   96    VAL   H      .   25955   1
      874   .   1   1   96    96    VAL   HA     H   1    3.975     0.008   .   1   .   797   .   .   96    VAL   HA     .   25955   1
      875   .   1   1   96    96    VAL   HB     H   1    2.058     0.012   .   1   .   798   .   .   96    VAL   HB     .   25955   1
      876   .   1   1   96    96    VAL   HG11   H   1    0.918     0.012   .   2   .   799   .   .   96    VAL   HG11   .   25955   1
      877   .   1   1   96    96    VAL   HG12   H   1    0.918     0.012   .   2   .   799   .   .   96    VAL   HG12   .   25955   1
      878   .   1   1   96    96    VAL   HG13   H   1    0.918     0.012   .   2   .   799   .   .   96    VAL   HG13   .   25955   1
      879   .   1   1   96    96    VAL   HG21   H   1    0.923     0.011   .   2   .   800   .   .   96    VAL   HG21   .   25955   1
      880   .   1   1   96    96    VAL   HG22   H   1    0.923     0.011   .   2   .   800   .   .   96    VAL   HG22   .   25955   1
      881   .   1   1   96    96    VAL   HG23   H   1    0.923     0.011   .   2   .   800   .   .   96    VAL   HG23   .   25955   1
      882   .   1   1   96    96    VAL   C      C   13   175.532   0.002   .   1   .   793   .   .   96    VAL   C      .   25955   1
      883   .   1   1   96    96    VAL   CA     C   13   63.047    0.048   .   1   .   794   .   .   96    VAL   CA     .   25955   1
      884   .   1   1   96    96    VAL   CB     C   13   32.470    0.129   .   1   .   795   .   .   96    VAL   CB     .   25955   1
      885   .   1   1   96    96    VAL   N      N   15   122.029   0.073   .   1   .   801   .   .   96    VAL   N      .   25955   1
      886   .   1   1   97    97    ALA   H      H   1    8.436     0.004   .   1   .   805   .   .   97    ALA   H      .   25955   1
      887   .   1   1   97    97    ALA   HA     H   1    4.258     0.002   .   1   .   806   .   .   97    ALA   HA     .   25955   1
      888   .   1   1   97    97    ALA   HB1    H   1    1.332     0.007   .   1   .   807   .   .   97    ALA   HB1    .   25955   1
      889   .   1   1   97    97    ALA   HB2    H   1    1.332     0.007   .   1   .   807   .   .   97    ALA   HB2    .   25955   1
      890   .   1   1   97    97    ALA   HB3    H   1    1.332     0.007   .   1   .   807   .   .   97    ALA   HB3    .   25955   1
      891   .   1   1   97    97    ALA   C      C   13   177.029   0.003   .   1   .   802   .   .   97    ALA   C      .   25955   1
      892   .   1   1   97    97    ALA   CA     C   13   52.150    0.117   .   1   .   803   .   .   97    ALA   CA     .   25955   1
      893   .   1   1   97    97    ALA   CB     C   13   19.107    0.242   .   1   .   804   .   .   97    ALA   CB     .   25955   1
      894   .   1   1   97    97    ALA   N      N   15   125.822   0.121   .   1   .   808   .   .   97    ALA   N      .   25955   1
      895   .   1   1   98    98    ALA   H      H   1    7.971     0.011   .   1   .   810   .   .   98    ALA   H      .   25955   1
      896   .   1   1   98    98    ALA   HA     H   1    4.256     0.002   .   1   .   811   .   .   98    ALA   HA     .   25955   1
      897   .   1   1   98    98    ALA   HB1    H   1    1.338     .       .   1   .   812   .   .   98    ALA   HB1    .   25955   1
      898   .   1   1   98    98    ALA   HB2    H   1    1.338     .       .   1   .   812   .   .   98    ALA   HB2    .   25955   1
      899   .   1   1   98    98    ALA   HB3    H   1    1.338     .       .   1   .   812   .   .   98    ALA   HB3    .   25955   1
      900   .   1   1   98    98    ALA   C      C   13   176.879   0.001   .   1   .   809   .   .   98    ALA   C      .   25955   1
      901   .   1   1   98    98    ALA   N      N   15   123.010   0.097   .   1   .   813   .   .   98    ALA   N      .   25955   1
      902   .   1   1   99    99    ALA   H      H   1    8.215     0.003   .   1   .   816   .   .   99    ALA   H      .   25955   1
      903   .   1   1   99    99    ALA   HA     H   1    4.535     .       .   1   .   817   .   .   99    ALA   HA     .   25955   1
      904   .   1   1   99    99    ALA   HB1    H   1    1.332     0.002   .   1   .   818   .   .   99    ALA   HB1    .   25955   1
      905   .   1   1   99    99    ALA   HB2    H   1    1.332     0.002   .   1   .   818   .   .   99    ALA   HB2    .   25955   1
      906   .   1   1   99    99    ALA   HB3    H   1    1.332     0.002   .   1   .   818   .   .   99    ALA   HB3    .   25955   1
      907   .   1   1   99    99    ALA   C      C   13   175.525   .       .   1   .   814   .   .   99    ALA   C      .   25955   1
      908   .   1   1   99    99    ALA   CA     C   13   52.147    0.158   .   1   .   815   .   .   99    ALA   CA     .   25955   1
      909   .   1   1   99    99    ALA   N      N   15   124.797   0.068   .   1   .   819   .   .   99    ALA   N      .   25955   1
      910   .   1   1   100   100   PRO   HA     H   1    4.389     0.011   .   1   .   823   .   .   100   PRO   HA     .   25955   1
      911   .   1   1   100   100   PRO   HD2    H   1    3.613     0.004   .   2   .   824   .   .   100   PRO   HD2    .   25955   1
      912   .   1   1   100   100   PRO   HD3    H   1    3.741     0.003   .   2   .   825   .   .   100   PRO   HD3    .   25955   1
      913   .   1   1   100   100   PRO   C      C   13   177.069   .       .   1   .   820   .   .   100   PRO   C      .   25955   1
      914   .   1   1   100   100   PRO   CA     C   13   63.062    .       .   1   .   821   .   .   100   PRO   CA     .   25955   1
      915   .   1   1   100   100   PRO   CB     C   13   32.025    .       .   1   .   822   .   .   100   PRO   CB     .   25955   1
      916   .   1   1   101   101   SER   H      H   1    8.450     0.005   .   1   .   829   .   .   101   SER   H      .   25955   1
      917   .   1   1   101   101   SER   HA     H   1    4.420     0.013   .   1   .   830   .   .   101   SER   HA     .   25955   1
      918   .   1   1   101   101   SER   HB2    H   1    3.828     .       .   2   .   831   .   .   101   SER   HB2    .   25955   1
      919   .   1   1   101   101   SER   HB3    H   1    3.888     .       .   2   .   832   .   .   101   SER   HB3    .   25955   1
      920   .   1   1   101   101   SER   C      C   13   174.822   0.07    .   1   .   826   .   .   101   SER   C      .   25955   1
      921   .   1   1   101   101   SER   CA     C   13   58.299    0.029   .   1   .   827   .   .   101   SER   CA     .   25955   1
      922   .   1   1   101   101   SER   CB     C   13   63.793    0.047   .   1   .   828   .   .   101   SER   CB     .   25955   1
      923   .   1   1   101   101   SER   N      N   15   116.269   0.075   .   1   .   833   .   .   101   SER   N      .   25955   1
      924   .   1   1   102   102   SER   H      H   1    8.379     0.006   .   1   .   836   .   .   102   SER   H      .   25955   1
      925   .   1   1   102   102   SER   HA     H   1    4.502     0.005   .   1   .   837   .   .   102   SER   HA     .   25955   1
      926   .   1   1   102   102   SER   HB2    H   1    3.887     .       .   2   .   838   .   .   102   SER   HB2    .   25955   1
      927   .   1   1   102   102   SER   HB3    H   1    3.893     0.006   .   2   .   839   .   .   102   SER   HB3    .   25955   1
      928   .   1   1   102   102   SER   CA     C   13   58.300    .       .   1   .   834   .   .   102   SER   CA     .   25955   1
      929   .   1   1   102   102   SER   CB     C   13   63.839    0.002   .   1   .   835   .   .   102   SER   CB     .   25955   1
      930   .   1   1   102   102   SER   N      N   15   117.801   0.082   .   1   .   840   .   .   102   SER   N      .   25955   1
      931   .   1   1   103   103   SER   H      H   1    8.305     0.003   .   1   .   844   .   .   103   SER   H      .   25955   1
      932   .   1   1   103   103   SER   HA     H   1    4.446     0.017   .   1   .   845   .   .   103   SER   HA     .   25955   1
      933   .   1   1   103   103   SER   HB2    H   1    3.836     0.006   .   1   .   846   .   .   103   SER   HB2    .   25955   1
      934   .   1   1   103   103   SER   HB3    H   1    3.836     0.006   .   1   .   847   .   .   103   SER   HB3    .   25955   1
      935   .   1   1   103   103   SER   C      C   13   173.633   .       .   1   .   841   .   .   103   SER   C      .   25955   1
      936   .   1   1   103   103   SER   CA     C   13   58.164    0.022   .   1   .   842   .   .   103   SER   CA     .   25955   1
      937   .   1   1   103   103   SER   CB     C   13   63.934    0.013   .   1   .   843   .   .   103   SER   CB     .   25955   1
      938   .   1   1   103   103   SER   N      N   15   117.799   0.113   .   1   .   848   .   .   103   SER   N      .   25955   1
      939   .   1   1   104   104   ALA   H      H   1    8.229     0.007   .   1   .   852   .   .   104   ALA   H      .   25955   1
      940   .   1   1   104   104   ALA   HA     H   1    4.585     0.004   .   1   .   853   .   .   104   ALA   HA     .   25955   1
      941   .   1   1   104   104   ALA   HB1    H   1    1.331     0.004   .   1   .   854   .   .   104   ALA   HB1    .   25955   1
      942   .   1   1   104   104   ALA   HB2    H   1    1.331     0.004   .   1   .   854   .   .   104   ALA   HB2    .   25955   1
      943   .   1   1   104   104   ALA   HB3    H   1    1.331     0.004   .   1   .   854   .   .   104   ALA   HB3    .   25955   1
      944   .   1   1   104   104   ALA   C      C   13   175.374   .       .   1   .   849   .   .   104   ALA   C      .   25955   1
      945   .   1   1   104   104   ALA   CA     C   13   50.575    0.01    .   1   .   850   .   .   104   ALA   CA     .   25955   1
      946   .   1   1   104   104   ALA   CB     C   13   18.200    0.089   .   1   .   851   .   .   104   ALA   CB     .   25955   1
      947   .   1   1   104   104   ALA   N      N   15   127.188   0.056   .   1   .   855   .   .   104   ALA   N      .   25955   1
      948   .   1   1   105   105   PRO   HA     H   1    4.377     0.004   .   1   .   859   .   .   105   PRO   HA     .   25955   1
      949   .   1   1   105   105   PRO   HD2    H   1    3.616     0.002   .   2   .   860   .   .   105   PRO   HD2    .   25955   1
      950   .   1   1   105   105   PRO   HD3    H   1    3.771     0.001   .   2   .   861   .   .   105   PRO   HD3    .   25955   1
      951   .   1   1   105   105   PRO   C      C   13   176.871   .       .   1   .   856   .   .   105   PRO   C      .   25955   1
      952   .   1   1   105   105   PRO   CA     C   13   63.120    0.019   .   1   .   857   .   .   105   PRO   CA     .   25955   1
      953   .   1   1   105   105   PRO   CB     C   13   31.997    .       .   1   .   858   .   .   105   PRO   CB     .   25955   1
      954   .   1   1   106   106   GLN   H      H   1    8.508     0.004   .   1   .   865   .   .   106   GLN   H      .   25955   1
      955   .   1   1   106   106   GLN   HA     H   1    4.308     0.003   .   1   .   866   .   .   106   GLN   HA     .   25955   1
      956   .   1   1   106   106   GLN   HB2    H   1    1.968     0.006   .   2   .   867   .   .   106   GLN   HB2    .   25955   1
      957   .   1   1   106   106   GLN   HB3    H   1    2.090     0.007   .   2   .   868   .   .   106   GLN   HB3    .   25955   1
      958   .   1   1   106   106   GLN   HG2    H   1    2.372     0.005   .   2   .   869   .   .   106   GLN   HG2    .   25955   1
      959   .   1   1   106   106   GLN   HG3    H   1    2.380     .       .   2   .   870   .   .   106   GLN   HG3    .   25955   1
      960   .   1   1   106   106   GLN   C      C   13   175.926   0.001   .   1   .   862   .   .   106   GLN   C      .   25955   1
      961   .   1   1   106   106   GLN   CA     C   13   55.725    0.031   .   1   .   863   .   .   106   GLN   CA     .   25955   1
      962   .   1   1   106   106   GLN   CB     C   13   29.650    0.057   .   1   .   864   .   .   106   GLN   CB     .   25955   1
      963   .   1   1   106   106   GLN   N      N   15   120.873   0.068   .   1   .   871   .   .   106   GLN   N      .   25955   1
      964   .   1   1   107   107   GLU   H      H   1    8.471     0.003   .   1   .   875   .   .   107   GLU   H      .   25955   1
      965   .   1   1   107   107   GLU   HA     H   1    4.328     0.007   .   1   .   876   .   .   107   GLU   HA     .   25955   1
      966   .   1   1   107   107   GLU   HB2    H   1    1.913     0.006   .   2   .   877   .   .   107   GLU   HB2    .   25955   1
      967   .   1   1   107   107   GLU   HB3    H   1    2.082     0.006   .   2   .   878   .   .   107   GLU   HB3    .   25955   1
      968   .   1   1   107   107   GLU   HG2    H   1    2.242     0.006   .   2   .   879   .   .   107   GLU   HG2    .   25955   1
      969   .   1   1   107   107   GLU   HG3    H   1    2.250     0.002   .   2   .   880   .   .   107   GLU   HG3    .   25955   1
      970   .   1   1   107   107   GLU   C      C   13   175.580   0.003   .   1   .   872   .   .   107   GLU   C      .   25955   1
      971   .   1   1   107   107   GLU   CA     C   13   56.593    0.018   .   1   .   873   .   .   107   GLU   CA     .   25955   1
      972   .   1   1   107   107   GLU   CB     C   13   30.508    0.18    .   1   .   874   .   .   107   GLU   CB     .   25955   1
      973   .   1   1   107   107   GLU   N      N   15   123.034   0.044   .   1   .   881   .   .   107   GLU   N      .   25955   1
      974   .   1   1   108   108   SER   H      H   1    7.998     0.004   .   1   .   884   .   .   108   SER   H      .   25955   1
      975   .   1   1   108   108   SER   HA     H   1    4.237     0.005   .   1   .   885   .   .   108   SER   HA     .   25955   1
      976   .   1   1   108   108   SER   HB2    H   1    3.822     0.008   .   1   .   886   .   .   108   SER   HB2    .   25955   1
      977   .   1   1   108   108   SER   HB3    H   1    3.822     0.008   .   1   .   887   .   .   108   SER   HB3    .   25955   1
      978   .   1   1   108   108   SER   CA     C   13   60.115    0.155   .   1   .   882   .   .   108   SER   CA     .   25955   1
      979   .   1   1   108   108   SER   CB     C   13   64.846    .       .   1   .   883   .   .   108   SER   CB     .   25955   1
      980   .   1   1   108   108   SER   N      N   15   122.436   0.043   .   1   .   888   .   .   108   SER   N      .   25955   1
   stop_
save_