###################################
     #  Assigned chemical shift lists  #
     ###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################

save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                     17681
   _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                      .
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

     1    '2D 1H-15N HSQC'   .   .   .   17681   1    
     2    '3D HNCO'          .   .   .   17681   1    
     3    '3D HN(CO)CA'      .   .   .   17681   1    
     4    '3D CBCA(CO)NH'    .   .   .   17681   1    
     5    '3D HNCACB'        .   .   .   17681   1    
     6    '3D HBHA(CO)NH'    .   .   .   17681   1    
     7    '3D HCCH-TOCSY'    .   .   .   17681   1    
     8    '3D HCCH-COSY'     .   .   .   17681   1    
     11   '2D 1H-13C HSQC'   .   .   .   17681   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   1    1    ASP   H      H   1    8.225     0.001   .   1   .   .   .   .   1    ASP   H      .   17681   1    
     2     .   1   1   1    1    ASP   HA     H   1    4.519     0.007   .   1   .   .   .   A   1    ASP   HA     .   17681   1    
     3     .   1   1   1    1    ASP   HB2    H   1    2.416     0.005   .   2   .   .   .   .   1    ASP   HB2    .   17681   1    
     4     .   1   1   1    1    ASP   HB3    H   1    2.516     0.002   .   2   .   .   .   .   1    ASP   HB3    .   17681   1    
     5     .   1   1   1    1    ASP   CA     C   13   54.062    0       .   1   .   .   .   A   1    ASP   CA     .   17681   1    
     6     .   1   1   1    1    ASP   CB     C   13   41.515    0.024   .   1   .   .   .   A   1    ASP   CB     .   17681   1    
     7     .   1   1   1    1    ASP   N      N   15   122.299   0.011   .   1   .   .   .   A   1    ASP   N      .   17681   1    
     8     .   1   1   2    2    PHE   H      H   1    8.111     0.003   .   1   .   .   .   A   2    PHE   H      .   17681   1    
     9     .   1   1   2    2    PHE   HA     H   1    4.795     0.021   .   1   .   .   .   A   2    PHE   HA     .   17681   1    
     10    .   1   1   2    2    PHE   HB2    H   1    2.775     0.018   .   2   .   .   .   .   2    PHE   HB2    .   17681   1    
     11    .   1   1   2    2    PHE   HB3    H   1    3.085     0.014   .   2   .   .   .   .   2    PHE   HB3    .   17681   1    
     12    .   1   1   2    2    PHE   HD1    H   1    7.258     0.013   .   3   .   .   .   .   2    PHE   QR     .   17681   1    
     13    .   1   1   2    2    PHE   HD2    H   1    7.258     0.013   .   3   .   .   .   .   2    PHE   QR     .   17681   1    
     14    .   1   1   2    2    PHE   HE1    H   1    7.258     0.013   .   3   .   .   .   .   2    PHE   QR     .   17681   1    
     15    .   1   1   2    2    PHE   HE2    H   1    7.258     0.013   .   3   .   .   .   .   2    PHE   QR     .   17681   1    
     16    .   1   1   2    2    PHE   CA     C   13   55.848    0       .   1   .   .   .   A   2    PHE   CA     .   17681   1    
     17    .   1   1   2    2    PHE   CB     C   13   39.777    0.026   .   1   .   .   .   A   2    PHE   CB     .   17681   1    
     18    .   1   1   2    2    PHE   N      N   15   120.168   0.04    .   1   .   .   .   A   2    PHE   N      .   17681   1    
     19    .   1   1   3    3    PRO   HA     H   1    4.543     0.003   .   1   .   .   .   A   3    PRO   HA     .   17681   1    
     20    .   1   1   3    3    PRO   HB2    H   1    1.918     0.009   .   2   .   .   .   .   3    PRO   HB2    .   17681   1    
     21    .   1   1   3    3    PRO   HB3    H   1    2.328     0.008   .   2   .   .   .   .   3    PRO   HB3    .   17681   1    
     22    .   1   1   3    3    PRO   HD2    H   1    3.648     0.002   .   2   .   .   .   .   3    PRO   HD2    .   17681   1    
     23    .   1   1   3    3    PRO   HD3    H   1    3.851     0.003   .   2   .   .   .   .   3    PRO   HD3    .   17681   1    
     24    .   1   1   3    3    PRO   CA     C   13   62.381    0.011   .   1   .   .   .   A   3    PRO   CA     .   17681   1    
     25    .   1   1   3    3    PRO   CB     C   13   32.059    0.027   .   1   .   .   .   A   3    PRO   CB     .   17681   1    
     26    .   1   1   3    3    PRO   CD     C   13   50.554    0.018   .   1   .   .   .   A   3    PRO   CD     .   17681   1    
     27    .   1   1   4    4    LEU   H      H   1    8.549     0.014   .   1   .   .   .   A   4    LEU   H      .   17681   1    
     28    .   1   1   4    4    LEU   HA     H   1    4.595     0.008   .   1   .   .   .   A   4    LEU   HA     .   17681   1    
     29    .   1   1   4    4    LEU   HB2    H   1    1.182     0.006   .   2   .   .   .   .   4    LEU   HB2    .   17681   1    
     30    .   1   1   4    4    LEU   HB3    H   1    1.748     0.013   .   2   .   .   .   .   4    LEU   HB3    .   17681   1    
     31    .   1   1   4    4    LEU   HG     H   1    0.976     0.012   .   1   .   .   .   A   4    LEU   HG     .   17681   1    
     32    .   1   1   4    4    LEU   HD11   H   1    0.84      0.017   .   2   .   .   .   .   4    LEU   QD1    .   17681   1    
     33    .   1   1   4    4    LEU   HD12   H   1    0.84      0.017   .   2   .   .   .   .   4    LEU   QD1    .   17681   1    
     34    .   1   1   4    4    LEU   HD13   H   1    0.84      0.017   .   2   .   .   .   .   4    LEU   QD1    .   17681   1    
     35    .   1   1   4    4    LEU   HD21   H   1    1.798     0       .   2   .   .   .   .   4    LEU   QD2    .   17681   1    
     36    .   1   1   4    4    LEU   HD22   H   1    1.798     0       .   2   .   .   .   .   4    LEU   QD2    .   17681   1    
     37    .   1   1   4    4    LEU   HD23   H   1    1.798     0       .   2   .   .   .   .   4    LEU   QD2    .   17681   1    
     38    .   1   1   4    4    LEU   CA     C   13   55.081    0.08    .   1   .   .   .   A   4    LEU   CA     .   17681   1    
     39    .   1   1   4    4    LEU   CB     C   13   42.364    0.013   .   1   .   .   .   A   4    LEU   CB     .   17681   1    
     40    .   1   1   4    4    LEU   CG     C   13   26.354    0.005   .   1   .   .   .   A   4    LEU   CG     .   17681   1    
     41    .   1   1   4    4    LEU   CD1    C   13   23.568    0.008   .   2   .   .   .   A   4    LEU   CD1    .   17681   1    
     42    .   1   1   4    4    LEU   CD2    C   13   26.935    0       .   2   .   .   .   A   4    LEU   CD2    .   17681   1    
     43    .   1   1   4    4    LEU   N      N   15   122.876   0.012   .   1   .   .   .   A   4    LEU   N      .   17681   1    
     44    .   1   1   5    5    SER   H      H   1    9.307     0.023   .   1   .   .   .   A   5    SER   H      .   17681   1    
     45    .   1   1   5    5    SER   HA     H   1    4.441     0.018   .   1   .   .   .   A   5    SER   HA     .   17681   1    
     46    .   1   1   5    5    SER   HB2    H   1    3.817     0.002   .   2   .   .   .   .   5    SER   HB2    .   17681   1    
     47    .   1   1   5    5    SER   HB3    H   1    3.846     0.001   .   2   .   .   .   .   5    SER   HB3    .   17681   1    
     48    .   1   1   5    5    SER   CA     C   13   59.423    0.021   .   1   .   .   .   A   5    SER   CA     .   17681   1    
     49    .   1   1   5    5    SER   CB     C   13   66.092    0.022   .   1   .   .   .   A   5    SER   CB     .   17681   1    
     50    .   1   1   5    5    SER   N      N   15   121.367   0.007   .   1   .   .   .   A   5    SER   N      .   17681   1    
     51    .   1   1   6    6    LYS   H      H   1    8.804     0.009   .   1   .   .   .   A   6    LYS   H      .   17681   1    
     52    .   1   1   6    6    LYS   HA     H   1    4.223     0.008   .   1   .   .   .   A   6    LYS   HA     .   17681   1    
     53    .   1   1   6    6    LYS   HB2    H   1    1.503     0.002   .   2   .   .   .   .   6    LYS   HB2    .   17681   1    
     54    .   1   1   6    6    LYS   HB3    H   1    1.977     0.005   .   2   .   .   .   .   6    LYS   HB3    .   17681   1    
     55    .   1   1   6    6    LYS   HG2    H   1    1.369     0.002   .   2   .   .   .   .   6    LYS   HG2    .   17681   1    
     56    .   1   1   6    6    LYS   HG3    H   1    1.503     0.001   .   2   .   .   .   .   6    LYS   HG3    .   17681   1    
     57    .   1   1   6    6    LYS   HD2    H   1    1.657     0       .   2   .   .   .   .   6    LYS   QD     .   17681   1    
     58    .   1   1   6    6    LYS   HD3    H   1    1.657     0       .   2   .   .   .   .   6    LYS   QD     .   17681   1    
     59    .   1   1   6    6    LYS   HE2    H   1    3.032     0.005   .   2   .   .   .   .   6    LYS   QE     .   17681   1    
     60    .   1   1   6    6    LYS   HE3    H   1    3.032     0.005   .   2   .   .   .   .   6    LYS   QE     .   17681   1    
     61    .   1   1   6    6    LYS   CA     C   13   54.22     0.024   .   1   .   .   .   A   6    LYS   CA     .   17681   1    
     62    .   1   1   6    6    LYS   CB     C   13   33.256    0.023   .   1   .   .   .   A   6    LYS   CB     .   17681   1    
     63    .   1   1   6    6    LYS   CG     C   13   25.135    0.033   .   1   .   .   .   A   6    LYS   CG     .   17681   1    
     64    .   1   1   6    6    LYS   N      N   15   122.742   0.028   .   1   .   .   .   A   6    LYS   N      .   17681   1    
     65    .   1   1   7    7    GLU   H      H   1    8.034     0.017   .   1   .   .   .   A   7    GLU   H      .   17681   1    
     66    .   1   1   7    7    GLU   HA     H   1    3.266     0.004   .   1   .   .   .   A   7    GLU   HA     .   17681   1    
     67    .   1   1   7    7    GLU   HB2    H   1    1.651     0       .   2   .   .   .   .   7    GLU   QB     .   17681   1    
     68    .   1   1   7    7    GLU   HB3    H   1    1.651     0       .   2   .   .   .   .   7    GLU   QB     .   17681   1    
     69    .   1   1   7    7    GLU   HG2    H   1    1.194     0.003   .   2   .   .   .   .   7    GLU   HG2    .   17681   1    
     70    .   1   1   7    7    GLU   HG3    H   1    1.663     0.007   .   2   .   .   .   .   7    GLU   HG3    .   17681   1    
     71    .   1   1   7    7    GLU   CA     C   13   59.098    0.019   .   1   .   .   .   A   7    GLU   CA     .   17681   1    
     72    .   1   1   7    7    GLU   CB     C   13   29.29     0       .   1   .   .   .   A   7    GLU   CB     .   17681   1    
     73    .   1   1   7    7    GLU   CG     C   13   35.626    0.016   .   1   .   .   .   A   7    GLU   CG     .   17681   1    
     74    .   1   1   7    7    GLU   N      N   15   120.659   0.023   .   1   .   .   .   A   7    GLU   N      .   17681   1    
     75    .   1   1   8    8    TYR   H      H   1    9.324     0.01    .   1   .   .   .   A   8    TYR   H      .   17681   1    
     76    .   1   1   8    8    TYR   HA     H   1    3.935     0.009   .   1   .   .   .   A   8    TYR   HA     .   17681   1    
     77    .   1   1   8    8    TYR   HB2    H   1    3.296     0.003   .   2   .   .   .   .   8    TYR   HB2    .   17681   1    
     78    .   1   1   8    8    TYR   HB3    H   1    3.41      0.008   .   2   .   .   .   .   8    TYR   HB3    .   17681   1    
     79    .   1   1   8    8    TYR   HD1    H   1    7.019     0.005   .   3   .   .   .   .   8    TYR   QD     .   17681   1    
     80    .   1   1   8    8    TYR   HD2    H   1    7.019     0.005   .   3   .   .   .   .   8    TYR   QD     .   17681   1    
     81    .   1   1   8    8    TYR   HE1    H   1    6.797     0.003   .   3   .   .   .   .   8    TYR   QE     .   17681   1    
     82    .   1   1   8    8    TYR   HE2    H   1    6.797     0.003   .   3   .   .   .   .   8    TYR   QE     .   17681   1    
     83    .   1   1   8    8    TYR   CA     C   13   60.557    0.003   .   1   .   .   .   A   8    TYR   CA     .   17681   1    
     84    .   1   1   8    8    TYR   CB     C   13   35.248    0.042   .   1   .   .   .   A   8    TYR   CB     .   17681   1    
     85    .   1   1   8    8    TYR   CD1    C   13   132.536   0       .   3   .   .   .   A   8    TYR   CD1    .   17681   1    
     86    .   1   1   8    8    TYR   CE1    C   13   118.327   0       .   3   .   .   .   A   8    TYR   CE1    .   17681   1    
     87    .   1   1   8    8    TYR   N      N   15   116.938   0.038   .   1   .   .   .   A   8    TYR   N      .   17681   1    
     88    .   1   1   9    9    GLU   H      H   1    8.132     0.013   .   1   .   .   .   A   9    GLU   H      .   17681   1    
     89    .   1   1   9    9    GLU   HA     H   1    4.507     0.003   .   1   .   .   .   A   9    GLU   HA     .   17681   1    
     90    .   1   1   9    9    GLU   HB2    H   1    2.088     0.002   .   2   .   .   .   .   9    GLU   HB2    .   17681   1    
     91    .   1   1   9    9    GLU   HB3    H   1    2.368     0.002   .   2   .   .   .   .   9    GLU   HB3    .   17681   1    
     92    .   1   1   9    9    GLU   CA     C   13   55.436    0       .   1   .   .   .   A   9    GLU   CA     .   17681   1    
     93    .   1   1   9    9    GLU   CB     C   13   30.638    0.012   .   1   .   .   .   A   9    GLU   CB     .   17681   1    
     94    .   1   1   9    9    GLU   N      N   15   119.307   0.038   .   1   .   .   .   A   9    GLU   N      .   17681   1    
     95    .   1   1   10   10   THR   H      H   1    8.095     0.006   .   1   .   .   .   A   10   THR   H      .   17681   1    
     96    .   1   1   10   10   THR   HA     H   1    4.586     0.003   .   1   .   .   .   A   10   THR   HA     .   17681   1    
     97    .   1   1   10   10   THR   HB     H   1    4.307     0.01    .   1   .   .   .   A   10   THR   HB     .   17681   1    
     98    .   1   1   10   10   THR   HG21   H   1    1.125     0.012   .   1   .   .   .   .   10   THR   QG2    .   17681   1    
     99    .   1   1   10   10   THR   HG22   H   1    1.125     0.012   .   1   .   .   .   .   10   THR   QG2    .   17681   1    
     100   .   1   1   10   10   THR   HG23   H   1    1.125     0.012   .   1   .   .   .   .   10   THR   QG2    .   17681   1    
     101   .   1   1   10   10   THR   CA     C   13   61.753    0.012   .   1   .   .   .   A   10   THR   CA     .   17681   1    
     102   .   1   1   10   10   THR   CB     C   13   69.408    0.026   .   1   .   .   .   A   10   THR   CB     .   17681   1    
     103   .   1   1   10   10   THR   CG2    C   13   19.894    0.06    .   1   .   .   .   A   10   THR   CG2    .   17681   1    
     104   .   1   1   10   10   THR   N      N   15   112.232   0.016   .   1   .   .   .   A   10   THR   N      .   17681   1    
     105   .   1   1   11   11   CYS   H      H   1    8.344     0.012   .   1   .   .   .   A   11   CYS   H      .   17681   1    
     106   .   1   1   11   11   CYS   HA     H   1    4.533     0.009   .   1   .   .   .   A   11   CYS   HA     .   17681   1    
     107   .   1   1   11   11   CYS   HB2    H   1    2.952     0.009   .   2   .   .   .   .   11   CYS   HB2    .   17681   1    
     108   .   1   1   11   11   CYS   HB3    H   1    3.273     0.006   .   2   .   .   .   .   11   CYS   HB3    .   17681   1    
     109   .   1   1   11   11   CYS   CA     C   13   55.588    0.069   .   1   .   .   .   A   11   CYS   CA     .   17681   1    
     110   .   1   1   11   11   CYS   CB     C   13   44.094    0.045   .   1   .   .   .   A   11   CYS   CB     .   17681   1    
     111   .   1   1   11   11   CYS   N      N   15   119.943   0.018   .   1   .   .   .   A   11   CYS   N      .   17681   1    
     112   .   1   1   12   12   VAL   H      H   1    7.402     0.011   .   1   .   .   .   A   12   VAL   H      .   17681   1    
     113   .   1   1   12   12   VAL   HA     H   1    3.811     0.004   .   1   .   .   .   A   12   VAL   HA     .   17681   1    
     114   .   1   1   12   12   VAL   HB     H   1    1.804     0.007   .   1   .   .   .   A   12   VAL   HB     .   17681   1    
     115   .   1   1   12   12   VAL   HG11   H   1    1.005     0.001   .   2   .   .   .   .   12   VAL   QG1    .   17681   1    
     116   .   1   1   12   12   VAL   HG12   H   1    1.005     0.001   .   2   .   .   .   .   12   VAL   QG1    .   17681   1    
     117   .   1   1   12   12   VAL   HG13   H   1    1.005     0.001   .   2   .   .   .   .   12   VAL   QG1    .   17681   1    
     118   .   1   1   12   12   VAL   HG21   H   1    1.01      0       .   2   .   .   .   .   12   VAL   QG2    .   17681   1    
     119   .   1   1   12   12   VAL   HG22   H   1    1.01      0       .   2   .   .   .   .   12   VAL   QG2    .   17681   1    
     120   .   1   1   12   12   VAL   HG23   H   1    1.01      0       .   2   .   .   .   .   12   VAL   QG2    .   17681   1    
     121   .   1   1   12   12   VAL   CA     C   13   63.381    0.052   .   1   .   .   .   A   12   VAL   CA     .   17681   1    
     122   .   1   1   12   12   VAL   CB     C   13   32.099    0       .   1   .   .   .   A   12   VAL   CB     .   17681   1    
     123   .   1   1   12   12   VAL   CG1    C   13   21.909    0.044   .   2   .   .   .   A   12   VAL   CG1    .   17681   1    
     124   .   1   1   12   12   VAL   CG2    C   13   20.785    0       .   2   .   .   .   A   12   VAL   CG2    .   17681   1    
     125   .   1   1   12   12   VAL   N      N   15   121.481   0.021   .   1   .   .   .   A   12   VAL   N      .   17681   1    
     126   .   1   1   13   13   ARG   H      H   1    8.598     0.005   .   1   .   .   .   A   13   ARG   H      .   17681   1    
     127   .   1   1   13   13   ARG   HA     H   1    4.303     0.008   .   1   .   .   .   A   13   ARG   HA     .   17681   1    
     128   .   1   1   13   13   ARG   CA     C   13   55.594    0       .   1   .   .   .   A   13   ARG   CA     .   17681   1    
     129   .   1   1   13   13   ARG   CB     C   13   29.255    0       .   1   .   .   .   A   13   ARG   CB     .   17681   1    
     130   .   1   1   13   13   ARG   N      N   15   129.794   0.045   .   1   .   .   .   A   13   ARG   N      .   17681   1    
     131   .   1   1   14   14   PRO   HA     H   1    4.555     0.002   .   1   .   .   .   A   14   PRO   HA     .   17681   1    
     132   .   1   1   14   14   PRO   HB2    H   1    2.085     0.005   .   2   .   .   .   .   14   PRO   HB2    .   17681   1    
     133   .   1   1   14   14   PRO   HB3    H   1    2.43      0.004   .   2   .   .   .   .   14   PRO   HB3    .   17681   1    
     134   .   1   1   14   14   PRO   HG2    H   1    1.542     0       .   2   .   .   .   .   14   PRO   HG2    .   17681   1    
     135   .   1   1   14   14   PRO   HG3    H   1    1.994     0.013   .   2   .   .   .   .   14   PRO   HG3    .   17681   1    
     136   .   1   1   14   14   PRO   HD2    H   1    3.293     0.008   .   2   .   .   .   .   14   PRO   HD2    .   17681   1    
     137   .   1   1   14   14   PRO   HD3    H   1    3.543     0.02    .   2   .   .   .   .   14   PRO   HD3    .   17681   1    
     138   .   1   1   14   14   PRO   CA     C   13   63.969    0.006   .   1   .   .   .   A   14   PRO   CA     .   17681   1    
     139   .   1   1   14   14   PRO   CB     C   13   33.342    0.057   .   1   .   .   .   A   14   PRO   CB     .   17681   1    
     140   .   1   1   14   14   PRO   CG     C   13   24.423    0.061   .   1   .   .   .   A   14   PRO   CG     .   17681   1    
     141   .   1   1   14   14   PRO   CD     C   13   49.322    0.023   .   1   .   .   .   A   14   PRO   CD     .   17681   1    
     142   .   1   1   15   15   ARG   H      H   1    8.693     0.012   .   1   .   .   .   A   15   ARG   H      .   17681   1    
     143   .   1   1   15   15   ARG   HA     H   1    4.278     0.006   .   1   .   .   .   A   15   ARG   HA     .   17681   1    
     144   .   1   1   15   15   ARG   HB2    H   1    1.526     0.008   .   2   .   .   .   .   15   ARG   HB2    .   17681   1    
     145   .   1   1   15   15   ARG   HB3    H   1    1.671     0.007   .   2   .   .   .   .   15   ARG   HB3    .   17681   1    
     146   .   1   1   15   15   ARG   HG2    H   1    1.346     0.004   .   2   .   .   .   .   15   ARG   QG     .   17681   1    
     147   .   1   1   15   15   ARG   HG3    H   1    1.346     0.004   .   2   .   .   .   .   15   ARG   QG     .   17681   1    
     148   .   1   1   15   15   ARG   HD2    H   1    2.801     0       .   2   .   .   .   .   15   ARG   HD2    .   17681   1    
     149   .   1   1   15   15   ARG   HD3    H   1    2.833     0       .   2   .   .   .   .   15   ARG   HD3    .   17681   1    
     150   .   1   1   15   15   ARG   CA     C   13   56.888    0       .   1   .   .   .   A   15   ARG   CA     .   17681   1    
     151   .   1   1   15   15   ARG   CB     C   13   30.539    0.042   .   1   .   .   .   A   15   ARG   CB     .   17681   1    
     152   .   1   1   15   15   ARG   CG     C   13   28.223    0.012   .   1   .   .   .   A   15   ARG   CG     .   17681   1    
     153   .   1   1   15   15   ARG   CD     C   13   43.052    0.004   .   1   .   .   .   A   15   ARG   CD     .   17681   1    
     154   .   1   1   15   15   ARG   N      N   15   126.618   0.021   .   1   .   .   .   A   15   ARG   N      .   17681   1    
     155   .   1   1   16   16   LYS   H      H   1    8.609     0.002   .   1   .   .   .   A   16   LYS   H      .   17681   1    
     156   .   1   1   16   16   LYS   HA     H   1    4.541     0.005   .   1   .   .   .   A   16   LYS   HA     .   17681   1    
     157   .   1   1   16   16   LYS   HB3    H   1    1.815     0.003   .   2   .   .   .   .   16   LYS   HB3    .   17681   1    
     158   .   1   1   16   16   LYS   HG2    H   1    1.382     0.005   .   2   .   .   .   .   16   LYS   HG2    .   17681   1    
     159   .   1   1   16   16   LYS   CA     C   13   54.204    0       .   1   .   .   .   A   16   LYS   CA     .   17681   1    
     160   .   1   1   16   16   LYS   CB     C   13   36.222    0.011   .   1   .   .   .   A   16   LYS   CB     .   17681   1    
     161   .   1   1   16   16   LYS   N      N   15   119.478   0.075   .   1   .   .   .   A   16   LYS   N      .   17681   1    
     162   .   1   1   17   17   CYS   H      H   1    8.815     0.005   .   1   .   .   .   A   17   CYS   H      .   17681   1    
     163   .   1   1   17   17   CYS   HA     H   1    4.599     0.009   .   1   .   .   .   A   17   CYS   HA     .   17681   1    
     164   .   1   1   17   17   CYS   HB2    H   1    2.314     0.007   .   2   .   .   .   .   17   CYS   HB2    .   17681   1    
     165   .   1   1   17   17   CYS   HB3    H   1    2.666     0.009   .   2   .   .   .   .   17   CYS   HB3    .   17681   1    
     166   .   1   1   17   17   CYS   CA     C   13   54.273    0.108   .   1   .   .   .   A   17   CYS   CA     .   17681   1    
     167   .   1   1   17   17   CYS   CB     C   13   39.626    0.023   .   1   .   .   .   A   17   CYS   CB     .   17681   1    
     168   .   1   1   17   17   CYS   N      N   15   117.793   0.018   .   1   .   .   .   A   17   CYS   N      .   17681   1    
     169   .   1   1   18   18   GLN   H      H   1    9.357     0.007   .   1   .   .   .   A   18   GLN   H      .   17681   1    
     170   .   1   1   18   18   GLN   HA     H   1    4.268     0.01    .   1   .   .   .   A   18   GLN   HA     .   17681   1    
     171   .   1   1   18   18   GLN   HB2    H   1    1.833     0.003   .   2   .   .   .   .   18   GLN   HB2    .   17681   1    
     172   .   1   1   18   18   GLN   HB3    H   1    1.959     0.003   .   2   .   .   .   .   18   GLN   HB3    .   17681   1    
     173   .   1   1   18   18   GLN   HG2    H   1    2.246     0.001   .   2   .   .   .   .   18   GLN   HG2    .   17681   1    
     174   .   1   1   18   18   GLN   HG3    H   1    2.439     0.004   .   2   .   .   .   .   18   GLN   HG3    .   17681   1    
     175   .   1   1   18   18   GLN   HE21   H   1    6.834     0       .   2   .   .   .   .   18   GLN   HE21   .   17681   1    
     176   .   1   1   18   18   GLN   HE22   H   1    7.473     0       .   2   .   .   .   .   18   GLN   HE22   .   17681   1    
     177   .   1   1   18   18   GLN   CA     C   13   53.981    0.027   .   1   .   .   .   A   18   GLN   CA     .   17681   1    
     178   .   1   1   18   18   GLN   CB     C   13   29.268    0.026   .   1   .   .   .   A   18   GLN   CB     .   17681   1    
     179   .   1   1   18   18   GLN   CG     C   13   33.022    0.071   .   1   .   .   .   A   18   GLN   CG     .   17681   1    
     180   .   1   1   18   18   GLN   N      N   15   125.666   0.026   .   1   .   .   .   A   18   GLN   N      .   17681   1    
     181   .   1   1   18   18   GLN   NE2    N   15   111.695   0       .   1   .   .   .   A   18   GLN   NE2    .   17681   1    
     182   .   1   1   19   19   PRO   HB2    H   1    1.791     0.002   .   2   .   .   .   .   19   PRO   HB2    .   17681   1    
     183   .   1   1   19   19   PRO   HB3    H   1    2.348     0       .   2   .   .   .   .   19   PRO   HB3    .   17681   1    
     184   .   1   1   19   19   PRO   HG2    H   1    2.01      0       .   2   .   .   .   .   19   PRO   HG2    .   17681   1    
     185   .   1   1   19   19   PRO   HG3    H   1    2.113     0.002   .   2   .   .   .   .   19   PRO   HG3    .   17681   1    
     186   .   1   1   19   19   PRO   HD2    H   1    3.665     0.018   .   2   .   .   .   .   19   PRO   HD2    .   17681   1    
     187   .   1   1   19   19   PRO   HD3    H   1    4.088     0.013   .   2   .   .   .   .   19   PRO   HD3    .   17681   1    
     188   .   1   1   19   19   PRO   CB     C   13   30.732    0.021   .   1   .   .   .   A   19   PRO   CB     .   17681   1    
     189   .   1   1   19   19   PRO   CG     C   13   28.08     0.021   .   1   .   .   .   A   19   PRO   CG     .   17681   1    
     190   .   1   1   19   19   PRO   CD     C   13   50.786    0.038   .   1   .   .   .   A   19   PRO   CD     .   17681   1    
     191   .   1   1   20   20   PRO   HA     H   1    4.666     0.007   .   1   .   .   .   A   20   PRO   HA     .   17681   1    
     192   .   1   1   20   20   PRO   HB2    H   1    1.969     0       .   2   .   .   .   .   20   PRO   HB2    .   17681   1    
     193   .   1   1   20   20   PRO   HB3    H   1    2.476     0.012   .   2   .   .   .   .   20   PRO   HB3    .   17681   1    
     194   .   1   1   20   20   PRO   HG2    H   1    1.541     0       .   2   .   .   .   .   20   PRO   HG2    .   17681   1    
     195   .   1   1   20   20   PRO   HG3    H   1    1.963     0       .   2   .   .   .   .   20   PRO   HG3    .   17681   1    
     196   .   1   1   20   20   PRO   HD2    H   1    3.32      0.008   .   2   .   .   .   .   20   PRO   HD2    .   17681   1    
     197   .   1   1   20   20   PRO   HD3    H   1    3.521     0.002   .   2   .   .   .   .   20   PRO   HD3    .   17681   1    
     198   .   1   1   20   20   PRO   CA     C   13   64.107    0.04    .   1   .   .   .   A   20   PRO   CA     .   17681   1    
     199   .   1   1   20   20   PRO   CB     C   13   32.51     0.007   .   1   .   .   .   A   20   PRO   CB     .   17681   1    
     200   .   1   1   20   20   PRO   CG     C   13   24.349    0.006   .   1   .   .   .   A   20   PRO   CG     .   17681   1    
     201   .   1   1   20   20   PRO   CD     C   13   49.13     0.041   .   1   .   .   .   A   20   PRO   CD     .   17681   1    
     202   .   1   1   21   21   LEU   H      H   1    8.711     0.007   .   1   .   .   .   A   21   LEU   H      .   17681   1    
     203   .   1   1   21   21   LEU   HA     H   1    4.184     0.008   .   1   .   .   .   A   21   LEU   HA     .   17681   1    
     204   .   1   1   21   21   LEU   HB2    H   1    1.028     0.009   .   2   .   .   .   .   21   LEU   HB2    .   17681   1    
     205   .   1   1   21   21   LEU   HB3    H   1    1.885     0.005   .   2   .   .   .   .   21   LEU   HB3    .   17681   1    
     206   .   1   1   21   21   LEU   HG     H   1    0.754     0.002   .   1   .   .   .   A   21   LEU   HG     .   17681   1    
     207   .   1   1   21   21   LEU   HD11   H   1    0.564     0.018   .   2   .   .   .   .   21   LEU   QD1    .   17681   1    
     208   .   1   1   21   21   LEU   HD12   H   1    0.564     0.018   .   2   .   .   .   .   21   LEU   QD1    .   17681   1    
     209   .   1   1   21   21   LEU   HD13   H   1    0.564     0.018   .   2   .   .   .   .   21   LEU   QD1    .   17681   1    
     210   .   1   1   21   21   LEU   HD21   H   1    1.694     0.003   .   2   .   .   .   .   21   LEU   QD2    .   17681   1    
     211   .   1   1   21   21   LEU   HD22   H   1    1.694     0.003   .   2   .   .   .   .   21   LEU   QD2    .   17681   1    
     212   .   1   1   21   21   LEU   HD23   H   1    1.694     0.003   .   2   .   .   .   .   21   LEU   QD2    .   17681   1    
     213   .   1   1   21   21   LEU   CA     C   13   55.562    0.042   .   1   .   .   .   A   21   LEU   CA     .   17681   1    
     214   .   1   1   21   21   LEU   CB     C   13   41.751    0.018   .   1   .   .   .   A   21   LEU   CB     .   17681   1    
     215   .   1   1   21   21   LEU   CG     C   13   26.4      0.091   .   1   .   .   .   A   21   LEU   CG     .   17681   1    
     216   .   1   1   21   21   LEU   CD1    C   13   21.566    0.037   .   2   .   .   .   A   21   LEU   CD1    .   17681   1    
     217   .   1   1   21   21   LEU   CD2    C   13   26.879    0       .   2   .   .   .   A   21   LEU   CD2    .   17681   1    
     218   .   1   1   21   21   LEU   N      N   15   122.986   0.025   .   1   .   .   .   A   21   LEU   N      .   17681   1    
     219   .   1   1   22   22   LYS   H      H   1    9.008     0.015   .   1   .   .   .   A   22   LYS   H      .   17681   1    
     220   .   1   1   22   22   LYS   HA     H   1    4.544     0.004   .   1   .   .   .   A   22   LYS   HA     .   17681   1    
     221   .   1   1   22   22   LYS   HB2    H   1    1.537     0.001   .   2   .   .   .   .   22   LYS   HB2    .   17681   1    
     222   .   1   1   22   22   LYS   HG2    H   1    1.244     0.004   .   2   .   .   .   .   22   LYS   HG2    .   17681   1    
     223   .   1   1   22   22   LYS   HG3    H   1    1.277     0.004   .   2   .   .   .   .   22   LYS   HG3    .   17681   1    
     224   .   1   1   22   22   LYS   CA     C   13   53.608    0       .   1   .   .   .   A   22   LYS   CA     .   17681   1    
     225   .   1   1   22   22   LYS   CB     C   13   36.331    0.011   .   1   .   .   .   A   22   LYS   CB     .   17681   1    
     226   .   1   1   22   22   LYS   CG     C   13   24.553    0.036   .   1   .   .   .   A   22   LYS   CG     .   17681   1    
     227   .   1   1   22   22   LYS   N      N   15   118.732   0.032   .   1   .   .   .   A   22   LYS   N      .   17681   1    
     228   .   1   1   23   23   CYS   H      H   1    8.65      0.014   .   1   .   .   .   A   23   CYS   H      .   17681   1    
     229   .   1   1   23   23   CYS   HA     H   1    4.71      0.017   .   1   .   .   .   A   23   CYS   HA     .   17681   1    
     230   .   1   1   23   23   CYS   HB2    H   1    3.038     0.011   .   2   .   .   .   .   23   CYS   HB2    .   17681   1    
     231   .   1   1   23   23   CYS   HB3    H   1    3.12      0.007   .   2   .   .   .   .   23   CYS   HB3    .   17681   1    
     232   .   1   1   23   23   CYS   CB     C   13   40.073    0.013   .   1   .   .   .   A   23   CYS   CB     .   17681   1    
     233   .   1   1   23   23   CYS   N      N   15   123.466   0.031   .   1   .   .   .   A   23   CYS   N      .   17681   1    
     234   .   1   1   24   24   ASN   H      H   1    8.862     0.011   .   1   .   .   .   A   24   ASN   H      .   17681   1    
     235   .   1   1   24   24   ASN   HA     H   1    4.756     0.003   .   1   .   .   .   A   24   ASN   HA     .   17681   1    
     236   .   1   1   24   24   ASN   HB2    H   1    2.74      0.005   .   2   .   .   .   .   24   ASN   HB2    .   17681   1    
     237   .   1   1   24   24   ASN   HB3    H   1    3.648     0.007   .   2   .   .   .   .   24   ASN   HB3    .   17681   1    
     238   .   1   1   24   24   ASN   HD21   H   1    6.653     0.009   .   2   .   .   .   .   24   ASN   HD21   .   17681   1    
     239   .   1   1   24   24   ASN   HD22   H   1    7.06      0.009   .   2   .   .   .   .   24   ASN   HD22   .   17681   1    
     240   .   1   1   24   24   ASN   CA     C   13   51.925    0       .   1   .   .   .   A   24   ASN   CA     .   17681   1    
     241   .   1   1   24   24   ASN   CB     C   13   38.905    0.03    .   1   .   .   .   A   24   ASN   CB     .   17681   1    
     242   .   1   1   24   24   ASN   N      N   15   130.764   0.025   .   1   .   .   .   A   24   ASN   N      .   17681   1    
     243   .   1   1   24   24   ASN   ND2    N   15   109.768   0.05    .   1   .   .   .   A   24   ASN   ND2    .   17681   1    
     244   .   1   1   25   25   LYS   H      H   1    8.268     0.008   .   1   .   .   .   A   25   LYS   H      .   17681   1    
     245   .   1   1   25   25   LYS   HA     H   1    4.022     0.008   .   1   .   .   .   A   25   LYS   HA     .   17681   1    
     246   .   1   1   25   25   LYS   HB2    H   1    1.813     0       .   2   .   .   .   .   25   LYS   QB     .   17681   1    
     247   .   1   1   25   25   LYS   HB3    H   1    1.813     0       .   2   .   .   .   .   25   LYS   QB     .   17681   1    
     248   .   1   1   25   25   LYS   CA     C   13   58.98     0.036   .   1   .   .   .   A   25   LYS   CA     .   17681   1    
     249   .   1   1   25   25   LYS   CB     C   13   31.875    0       .   1   .   .   .   A   25   LYS   CB     .   17681   1    
     250   .   1   1   25   25   LYS   N      N   15   117.853   0.021   .   1   .   .   .   A   25   LYS   N      .   17681   1    
     251   .   1   1   26   26   ALA   H      H   1    7.285     0.008   .   1   .   .   .   A   26   ALA   H      .   17681   1    
     252   .   1   1   26   26   ALA   HA     H   1    4.37      0.005   .   1   .   .   .   A   26   ALA   HA     .   17681   1    
     253   .   1   1   26   26   ALA   HB1    H   1    1.365     0.004   .   1   .   .   .   .   26   ALA   QB     .   17681   1    
     254   .   1   1   26   26   ALA   HB2    H   1    1.365     0.004   .   1   .   .   .   .   26   ALA   QB     .   17681   1    
     255   .   1   1   26   26   ALA   HB3    H   1    1.365     0.004   .   1   .   .   .   .   26   ALA   QB     .   17681   1    
     256   .   1   1   26   26   ALA   CA     C   13   51.595    0.061   .   1   .   .   .   A   26   ALA   CA     .   17681   1    
     257   .   1   1   26   26   ALA   CB     C   13   18.192    0.004   .   1   .   .   .   A   26   ALA   CB     .   17681   1    
     258   .   1   1   26   26   ALA   N      N   15   122.085   0.025   .   1   .   .   .   A   26   ALA   N      .   17681   1    
     259   .   1   1   27   27   GLN   H      H   1    8.217     0.011   .   1   .   .   .   A   27   GLN   H      .   17681   1    
     260   .   1   1   27   27   GLN   HA     H   1    3.827     0.006   .   1   .   .   .   A   27   GLN   HA     .   17681   1    
     261   .   1   1   27   27   GLN   HB2    H   1    1.819     0.004   .   2   .   .   .   .   27   GLN   HB2    .   17681   1    
     262   .   1   1   27   27   GLN   HB3    H   1    2.364     0.004   .   2   .   .   .   .   27   GLN   HB3    .   17681   1    
     263   .   1   1   27   27   GLN   HG2    H   1    2.088     0.003   .   2   .   .   .   .   27   GLN   HG2    .   17681   1    
     264   .   1   1   27   27   GLN   HG3    H   1    2.154     0.008   .   2   .   .   .   .   27   GLN   HG3    .   17681   1    
     265   .   1   1   27   27   GLN   HE21   H   1    6.775     0.008   .   2   .   .   .   .   27   GLN   HE21   .   17681   1    
     266   .   1   1   27   27   GLN   HE22   H   1    7.526     0.001   .   2   .   .   .   .   27   GLN   HE22   .   17681   1    
     267   .   1   1   27   27   GLN   CA     C   13   57.322    0.037   .   1   .   .   .   A   27   GLN   CA     .   17681   1    
     268   .   1   1   27   27   GLN   CB     C   13   26.287    0.024   .   1   .   .   .   A   27   GLN   CB     .   17681   1    
     269   .   1   1   27   27   GLN   CG     C   13   35.135    0.025   .   1   .   .   .   A   27   GLN   CG     .   17681   1    
     270   .   1   1   27   27   GLN   N      N   15   112.592   0.02    .   1   .   .   .   A   27   GLN   N      .   17681   1    
     271   .   1   1   27   27   GLN   NE2    N   15   112.444   0.058   .   1   .   .   .   A   27   GLN   NE2    .   17681   1    
     272   .   1   1   28   28   ILE   H      H   1    7.727     0.009   .   1   .   .   .   A   28   ILE   H      .   17681   1    
     273   .   1   1   28   28   ILE   HA     H   1    4.631     0.005   .   1   .   .   .   A   28   ILE   HA     .   17681   1    
     274   .   1   1   28   28   ILE   HB     H   1    1.422     0.016   .   1   .   .   .   A   28   ILE   HB     .   17681   1    
     275   .   1   1   28   28   ILE   HG12   H   1    0.942     0.006   .   2   .   .   .   .   28   ILE   HG12   .   17681   1    
     276   .   1   1   28   28   ILE   HG13   H   1    1.244     0.009   .   2   .   .   .   .   28   ILE   HG13   .   17681   1    
     277   .   1   1   28   28   ILE   HG21   H   1    0.727     0.008   .   1   .   .   .   .   28   ILE   QG2    .   17681   1    
     278   .   1   1   28   28   ILE   HG22   H   1    0.727     0.008   .   1   .   .   .   .   28   ILE   QG2    .   17681   1    
     279   .   1   1   28   28   ILE   HG23   H   1    0.727     0.008   .   1   .   .   .   .   28   ILE   QG2    .   17681   1    
     280   .   1   1   28   28   ILE   HD11   H   1    0.756     0.002   .   1   .   .   .   .   28   ILE   QD1    .   17681   1    
     281   .   1   1   28   28   ILE   HD12   H   1    0.756     0.002   .   1   .   .   .   .   28   ILE   QD1    .   17681   1    
     282   .   1   1   28   28   ILE   HD13   H   1    0.756     0.002   .   1   .   .   .   .   28   ILE   QD1    .   17681   1    
     283   .   1   1   28   28   ILE   CA     C   13   59.43     0.028   .   1   .   .   .   A   28   ILE   CA     .   17681   1    
     284   .   1   1   28   28   ILE   CB     C   13   41.862    0.015   .   1   .   .   .   A   28   ILE   CB     .   17681   1    
     285   .   1   1   28   28   ILE   CG1    C   13   26.101    0.094   .   1   .   .   .   A   28   ILE   CG1    .   17681   1    
     286   .   1   1   28   28   ILE   CG2    C   13   18.119    0.063   .   1   .   .   .   A   28   ILE   CG2    .   17681   1    
     287   .   1   1   28   28   ILE   CD1    C   13   13.28     0.012   .   1   .   .   .   A   28   ILE   CD1    .   17681   1    
     288   .   1   1   28   28   ILE   N      N   15   117.853   0.018   .   1   .   .   .   A   28   ILE   N      .   17681   1    
     289   .   1   1   29   29   CYS   H      H   1    8.151     0.011   .   1   .   .   .   A   29   CYS   H      .   17681   1    
     290   .   1   1   29   29   CYS   HA     H   1    4.965     0.012   .   1   .   .   .   A   29   CYS   HA     .   17681   1    
     291   .   1   1   29   29   CYS   HB2    H   1    2.382     0.005   .   2   .   .   .   .   29   CYS   HB2    .   17681   1    
     292   .   1   1   29   29   CYS   HB3    H   1    3.009     0.01    .   2   .   .   .   .   29   CYS   HB3    .   17681   1    
     293   .   1   1   29   29   CYS   CA     C   13   54.759    0.054   .   1   .   .   .   A   29   CYS   CA     .   17681   1    
     294   .   1   1   29   29   CYS   CB     C   13   40.213    0.027   .   1   .   .   .   A   29   CYS   CB     .   17681   1    
     295   .   1   1   29   29   CYS   N      N   15   121.223   0.02    .   1   .   .   .   A   29   CYS   N      .   17681   1    
     296   .   1   1   30   30   VAL   H      H   1    9.37      0.009   .   1   .   .   .   A   30   VAL   H      .   17681   1    
     297   .   1   1   30   30   VAL   HA     H   1    4.77      0.016   .   1   .   .   .   A   30   VAL   HA     .   17681   1    
     298   .   1   1   30   30   VAL   HB     H   1    1.935     0.008   .   1   .   .   .   A   30   VAL   HB     .   17681   1    
     299   .   1   1   30   30   VAL   HG11   H   1    0.691     0.001   .   2   .   .   .   .   30   VAL   QG1    .   17681   1    
     300   .   1   1   30   30   VAL   HG12   H   1    0.691     0.001   .   2   .   .   .   .   30   VAL   QG1    .   17681   1    
     301   .   1   1   30   30   VAL   HG13   H   1    0.691     0.001   .   2   .   .   .   .   30   VAL   QG1    .   17681   1    
     302   .   1   1   30   30   VAL   HG21   H   1    0.744     0.002   .   2   .   .   .   .   30   VAL   QG2    .   17681   1    
     303   .   1   1   30   30   VAL   HG22   H   1    0.744     0.002   .   2   .   .   .   .   30   VAL   QG2    .   17681   1    
     304   .   1   1   30   30   VAL   HG23   H   1    0.744     0.002   .   2   .   .   .   .   30   VAL   QG2    .   17681   1    
     305   .   1   1   30   30   VAL   CA     C   13   58.888    0       .   1   .   .   .   A   30   VAL   CA     .   17681   1    
     306   .   1   1   30   30   VAL   CB     C   13   36.172    0.021   .   1   .   .   .   A   30   VAL   CB     .   17681   1    
     307   .   1   1   30   30   VAL   CG1    C   13   21.961    0.003   .   2   .   .   .   A   30   VAL   CG1    .   17681   1    
     308   .   1   1   30   30   VAL   CG2    C   13   18.881    0.004   .   2   .   .   .   A   30   VAL   CG2    .   17681   1    
     309   .   1   1   30   30   VAL   N      N   15   117.79    0.023   .   1   .   .   .   A   30   VAL   N      .   17681   1    
     310   .   1   1   31   31   ASP   H      H   1    9.17      0.01    .   1   .   .   .   A   31   ASP   H      .   17681   1    
     311   .   1   1   31   31   ASP   HA     H   1    4.745     0.004   .   1   .   .   .   A   31   ASP   HA     .   17681   1    
     312   .   1   1   31   31   ASP   HB2    H   1    2.326     0.012   .   2   .   .   .   .   31   ASP   HB2    .   17681   1    
     313   .   1   1   31   31   ASP   HB3    H   1    2.789     0.006   .   2   .   .   .   .   31   ASP   HB3    .   17681   1    
     314   .   1   1   31   31   ASP   CA     C   13   50.856    0       .   1   .   .   .   A   31   ASP   CA     .   17681   1    
     315   .   1   1   31   31   ASP   CB     C   13   42.34     0.026   .   1   .   .   .   A   31   ASP   CB     .   17681   1    
     316   .   1   1   31   31   ASP   N      N   15   122.993   0.023   .   1   .   .   .   A   31   ASP   N      .   17681   1    
     317   .   1   1   32   32   PRO   HA     H   1    4.402     0.011   .   1   .   .   .   A   32   PRO   HA     .   17681   1    
     318   .   1   1   32   32   PRO   HB2    H   1    2.024     0.003   .   2   .   .   .   .   32   PRO   HB2    .   17681   1    
     319   .   1   1   32   32   PRO   HB3    H   1    2.189     0.002   .   2   .   .   .   .   32   PRO   HB3    .   17681   1    
     320   .   1   1   32   32   PRO   HG2    H   1    1.938     0       .   2   .   .   .   .   32   PRO   HG2    .   17681   1    
     321   .   1   1   32   32   PRO   HD2    H   1    4.023     0.005   .   2   .   .   .   .   32   PRO   HD2    .   17681   1    
     322   .   1   1   32   32   PRO   HD3    H   1    4.108     0.004   .   2   .   .   .   .   32   PRO   HD3    .   17681   1    
     323   .   1   1   32   32   PRO   CA     C   13   64.273    0.013   .   1   .   .   .   A   32   PRO   CA     .   17681   1    
     324   .   1   1   32   32   PRO   CB     C   13   32.4      0.024   .   1   .   .   .   A   32   PRO   CB     .   17681   1    
     325   .   1   1   32   32   PRO   CG     C   13   27.384    0       .   1   .   .   .   A   32   PRO   CG     .   17681   1    
     326   .   1   1   32   32   PRO   CD     C   13   51.384    0.036   .   1   .   .   .   A   32   PRO   CD     .   17681   1    
     327   .   1   1   33   33   LYS   H      H   1    8.457     0.015   .   1   .   .   .   A   33   LYS   H      .   17681   1    
     328   .   1   1   33   33   LYS   HA     H   1    4.13      0.007   .   1   .   .   .   A   33   LYS   HA     .   17681   1    
     329   .   1   1   33   33   LYS   CA     C   13   57.578    0       .   1   .   .   .   A   33   LYS   CA     .   17681   1    
     330   .   1   1   33   33   LYS   N      N   15   118.066   0.022   .   1   .   .   .   A   33   LYS   N      .   17681   1    
     331   .   1   1   34   34   LYS   H      H   1    7.784     0.006   .   1   .   .   .   A   34   LYS   H      .   17681   1    
     332   .   1   1   34   34   LYS   HA     H   1    4.26      0.001   .   1   .   .   .   A   34   LYS   HA     .   17681   1    
     333   .   1   1   34   34   LYS   CA     C   13   56.803    0       .   1   .   .   .   A   34   LYS   CA     .   17681   1    
     334   .   1   1   34   34   LYS   CB     C   13   33.071    0       .   1   .   .   .   A   34   LYS   CB     .   17681   1    
     335   .   1   1   34   34   LYS   N      N   15   118.755   0.033   .   1   .   .   .   A   34   LYS   N      .   17681   1    
     336   .   1   1   35   35   GLY   H      H   1    7.842     0.004   .   1   .   .   .   A   35   GLY   H      .   17681   1    
     337   .   1   1   35   35   GLY   HA2    H   1    3.764     0.011   .   2   .   .   .   .   35   GLY   HA2    .   17681   1    
     338   .   1   1   35   35   GLY   HA3    H   1    3.986     0.004   .   2   .   .   .   .   35   GLY   HA3    .   17681   1    
     339   .   1   1   35   35   GLY   CA     C   13   45.45     0.012   .   1   .   .   .   A   35   GLY   CA     .   17681   1    
     340   .   1   1   35   35   GLY   N      N   15   108.028   0.009   .   1   .   .   .   A   35   GLY   N      .   17681   1    
     341   .   1   1   36   36   TRP   H      H   1    7.459     0.009   .   1   .   .   .   A   36   TRP   H      .   17681   1    
     342   .   1   1   36   36   TRP   HA     H   1    4.481     0.007   .   1   .   .   .   A   36   TRP   HA     .   17681   1    
     343   .   1   1   36   36   TRP   HB2    H   1    3.073     0.005   .   2   .   .   .   .   36   TRP   HB2    .   17681   1    
     344   .   1   1   36   36   TRP   HB3    H   1    3.306     0.007   .   2   .   .   .   .   36   TRP   HB3    .   17681   1    
     345   .   1   1   36   36   TRP   HD1    H   1    7.214     0       .   1   .   .   .   .   36   TRP   HD1    .   17681   1    
     346   .   1   1   36   36   TRP   HE1    H   1    10.074    0       .   1   .   .   .   .   36   TRP   HE1    .   17681   1    
     347   .   1   1   36   36   TRP   CA     C   13   58.576    0.051   .   1   .   .   .   A   36   TRP   CA     .   17681   1    
     348   .   1   1   36   36   TRP   CB     C   13   30.627    0.013   .   1   .   .   .   A   36   TRP   CB     .   17681   1    
     349   .   1   1   36   36   TRP   N      N   15   125.781   0.028   .   1   .   .   .   A   36   TRP   N      .   17681   1    
     350   .   1   1   36   36   TRP   NE1    N   15   128.617   0       .   1   .   .   .   A   36   TRP   NE1    .   17681   1    

   stop_

save_