###################################
     #  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
   _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                     18007
   _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_new_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 xeasy file /home/kostas/structures/PDBeSMNaDMA/SMNaDMA.prot'
   _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   '15N-EDITED 3D NOESY F1 15N/13C FILTERED'                 .   .   .   18007   1    
     2   '15N-EDITED 3D NOESY'                                     .   .   .   18007   1    
     3   '13C-EDITED 3D NOESY (ALIPHATICSS) F1 15N/13C FILTERED'   .   .   .   18007   1    
     4   '13C-EDITED 3D NOESY (ALIPHATICS)'                        .   .   .   18007   1    
     5   '13C-EDITED 3D NOESY (AROMATICS) F1 15N/13C FILTERED'     .   .   .   18007   1    
     6   '13C-EDITED 3D NOESY (AROMATICS)'                         .   .   .   18007   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    ASN   CA     C   13   53.256    0.200   .   1   .   1     .   .   84     ASN   CA     .   18007   1    
     2     .   1   1   1    1    ASN   HA     H   1    4.744     0.020   .   1   .   2     .   .   84     ASN   HA     .   18007   1    
     3     .   1   1   1    1    ASN   CB     C   13   38.838    0.058   .   1   .   3     .   .   84     ASN   CB     .   18007   1    
     4     .   1   1   1    1    ASN   HB2    H   1    2.766     0.020   .   2   .   4     .   .   84     ASN   HB2    .   18007   1    
     5     .   1   1   1    1    ASN   HB3    H   1    2.843     0.020   .   2   .   5     .   .   84     ASN   HB3    .   18007   1    
     6     .   1   1   1    1    ASN   ND2    N   15   112.728   0.092   .   1   .   6     .   .   84     ASN   ND2    .   18007   1    
     7     .   1   1   1    1    ASN   HD21   H   1    7.596     0.005   .   1   .   7     .   .   84     ASN   HD21   .   18007   1    
     8     .   1   1   1    1    ASN   HD22   H   1    6.905     0.011   .   1   .   8     .   .   84     ASN   HD22   .   18007   1    
     9     .   1   1   2    2    THR   N      N   15   114.640   0.200   .   1   .   9     .   .   85     THR   N      .   18007   1    
     10    .   1   1   2    2    THR   H      H   1    8.142     0.020   .   1   .   10    .   .   85     THR   H      .   18007   1    
     11    .   1   1   2    2    THR   CA     C   13   61.971    0.015   .   1   .   11    .   .   85     THR   CA     .   18007   1    
     12    .   1   1   2    2    THR   HA     H   1    4.280     0.001   .   1   .   12    .   .   85     THR   HA     .   18007   1    
     13    .   1   1   2    2    THR   CB     C   13   69.807    0.076   .   1   .   13    .   .   85     THR   CB     .   18007   1    
     14    .   1   1   2    2    THR   HB     H   1    4.265     0.020   .   1   .   14    .   .   85     THR   HB     .   18007   1    
     15    .   1   1   2    2    THR   HG21   H   1    1.185     0.003   .   1   .   15    .   .   85     THR   HG21   .   18007   1    
     16    .   1   1   2    2    THR   HG22   H   1    1.185     0.003   .   1   .   15    .   .   85     THR   HG22   .   18007   1    
     17    .   1   1   2    2    THR   HG23   H   1    1.185     0.003   .   1   .   15    .   .   85     THR   HG23   .   18007   1    
     18    .   1   1   2    2    THR   CG2    C   13   21.743    0.200   .   1   .   16    .   .   85     THR   CG2    .   18007   1    
     19    .   1   1   3    3    ALA   N      N   15   126.094   0.050   .   1   .   17    .   .   86     ALA   N      .   18007   1    
     20    .   1   1   3    3    ALA   H      H   1    8.311     0.024   .   1   .   18    .   .   86     ALA   H      .   18007   1    
     21    .   1   1   3    3    ALA   HB1    H   1    1.359     0.020   .   1   .   19    .   .   86     ALA   HB1    .   18007   1    
     22    .   1   1   3    3    ALA   HB2    H   1    1.359     0.020   .   1   .   19    .   .   86     ALA   HB2    .   18007   1    
     23    .   1   1   3    3    ALA   HB3    H   1    1.359     0.020   .   1   .   19    .   .   86     ALA   HB3    .   18007   1    
     24    .   1   1   3    3    ALA   CB     C   13   19.256    0.200   .   1   .   20    .   .   86     ALA   CB     .   18007   1    
     25    .   1   1   4    4    ALA   N      N   15   122.835   0.057   .   1   .   21    .   .   87     ALA   N      .   18007   1    
     26    .   1   1   4    4    ALA   H      H   1    8.175     0.001   .   1   .   22    .   .   87     ALA   H      .   18007   1    
     27    .   1   1   4    4    ALA   CA     C   13   52.895    0.007   .   1   .   23    .   .   87     ALA   CA     .   18007   1    
     28    .   1   1   4    4    ALA   HA     H   1    4.267     0.020   .   1   .   24    .   .   87     ALA   HA     .   18007   1    
     29    .   1   1   4    4    ALA   HB1    H   1    1.377     0.001   .   1   .   25    .   .   87     ALA   HB1    .   18007   1    
     30    .   1   1   4    4    ALA   HB2    H   1    1.377     0.001   .   1   .   25    .   .   87     ALA   HB2    .   18007   1    
     31    .   1   1   4    4    ALA   HB3    H   1    1.377     0.001   .   1   .   25    .   .   87     ALA   HB3    .   18007   1    
     32    .   1   1   4    4    ALA   CB     C   13   19.198    0.055   .   1   .   26    .   .   87     ALA   CB     .   18007   1    
     33    .   1   1   5    5    SER   N      N   15   114.452   0.011   .   1   .   27    .   .   88     SER   N      .   18007   1    
     34    .   1   1   5    5    SER   H      H   1    8.149     0.010   .   1   .   28    .   .   88     SER   H      .   18007   1    
     35    .   1   1   5    5    SER   CA     C   13   58.628    0.054   .   1   .   29    .   .   88     SER   CA     .   18007   1    
     36    .   1   1   5    5    SER   HA     H   1    4.365     0.020   .   1   .   30    .   .   88     SER   HA     .   18007   1    
     37    .   1   1   5    5    SER   CB     C   13   63.742    0.051   .   1   .   31    .   .   88     SER   CB     .   18007   1    
     38    .   1   1   5    5    SER   HB2    H   1    3.844     0.020   .   1   .   32    .   .   88     SER   HB2    .   18007   1    
     39    .   1   1   5    5    SER   HB3    H   1    3.844     0.020   .   1   .   616   .   .   88     SER   HB3    .   18007   1    
     40    .   1   1   6    6    LEU   N      N   15   123.595   0.014   .   1   .   33    .   .   89     LEU   N      .   18007   1    
     41    .   1   1   6    6    LEU   H      H   1    8.151     0.020   .   1   .   34    .   .   89     LEU   H      .   18007   1    
     42    .   1   1   6    6    LEU   CA     C   13   55.701    0.064   .   1   .   35    .   .   89     LEU   CA     .   18007   1    
     43    .   1   1   6    6    LEU   HA     H   1    4.282     0.016   .   1   .   36    .   .   89     LEU   HA     .   18007   1    
     44    .   1   1   6    6    LEU   CB     C   13   42.305    0.024   .   1   .   37    .   .   89     LEU   CB     .   18007   1    
     45    .   1   1   6    6    LEU   HB2    H   1    1.551     0.020   .   2   .   38    .   .   89     LEU   HB2    .   18007   1    
     46    .   1   1   6    6    LEU   HB3    H   1    1.630     0.020   .   2   .   39    .   .   89     LEU   HB3    .   18007   1    
     47    .   1   1   6    6    LEU   CG     C   13   26.991    0.011   .   1   .   40    .   .   89     LEU   CG     .   18007   1    
     48    .   1   1   6    6    LEU   HG     H   1    1.636     0.020   .   1   .   41    .   .   89     LEU   HG     .   18007   1    
     49    .   1   1   6    6    LEU   HD11   H   1    0.898     0.005   .   2   .   42    .   .   89     LEU   HD11   .   18007   1    
     50    .   1   1   6    6    LEU   HD12   H   1    0.898     0.005   .   2   .   42    .   .   89     LEU   HD12   .   18007   1    
     51    .   1   1   6    6    LEU   HD13   H   1    0.898     0.005   .   2   .   42    .   .   89     LEU   HD13   .   18007   1    
     52    .   1   1   6    6    LEU   HD21   H   1    0.856     0.005   .   2   .   43    .   .   89     LEU   HD21   .   18007   1    
     53    .   1   1   6    6    LEU   HD22   H   1    0.856     0.005   .   2   .   43    .   .   89     LEU   HD22   .   18007   1    
     54    .   1   1   6    6    LEU   HD23   H   1    0.856     0.005   .   2   .   43    .   .   89     LEU   HD23   .   18007   1    
     55    .   1   1   6    6    LEU   CD1    C   13   24.968    0.200   .   2   .   44    .   .   89     LEU   CD1    .   18007   1    
     56    .   1   1   6    6    LEU   CD2    C   13   23.616    0.029   .   2   .   45    .   .   89     LEU   CD2    .   18007   1    
     57    .   1   1   7    7    GLN   N      N   15   119.296   0.007   .   1   .   46    .   .   90     GLN   N      .   18007   1    
     58    .   1   1   7    7    GLN   H      H   1    7.971     0.003   .   1   .   47    .   .   90     GLN   H      .   18007   1    
     59    .   1   1   7    7    GLN   CA     C   13   55.560    0.047   .   1   .   48    .   .   90     GLN   CA     .   18007   1    
     60    .   1   1   7    7    GLN   HA     H   1    4.120     0.001   .   1   .   49    .   .   90     GLN   HA     .   18007   1    
     61    .   1   1   7    7    GLN   CB     C   13   29.048    0.018   .   1   .   50    .   .   90     GLN   CB     .   18007   1    
     62    .   1   1   7    7    GLN   HB2    H   1    1.692     0.004   .   1   .   51    .   .   90     GLN   HB2    .   18007   1    
     63    .   1   1   7    7    GLN   CG     C   13   33.372    0.122   .   1   .   52    .   .   90     GLN   CG     .   18007   1    
     64    .   1   1   7    7    GLN   HG2    H   1    1.950     0.011   .   1   .   53    .   .   90     GLN   HG2    .   18007   1    
     65    .   1   1   7    7    GLN   NE2    N   15   111.780   0.031   .   1   .   54    .   .   90     GLN   NE2    .   18007   1    
     66    .   1   1   7    7    GLN   HE21   H   1    7.114     0.020   .   1   .   55    .   .   90     GLN   HE21   .   18007   1    
     67    .   1   1   7    7    GLN   HE22   H   1    6.620     0.001   .   1   .   56    .   .   90     GLN   HE22   .   18007   1    
     68    .   1   1   7    7    GLN   HB3    H   1    1.692     0.004   .   1   .   617   .   .   90     GLN   HB3    .   18007   1    
     69    .   1   1   7    7    GLN   HG3    H   1    1.950     0.011   .   1   .   618   .   .   90     GLN   HG3    .   18007   1    
     70    .   1   1   8    8    GLN   N      N   15   121.566   0.011   .   1   .   57    .   .   91     GLN   N      .   18007   1    
     71    .   1   1   8    8    GLN   H      H   1    8.102     0.010   .   1   .   58    .   .   91     GLN   H      .   18007   1    
     72    .   1   1   8    8    GLN   CA     C   13   55.483    0.059   .   1   .   59    .   .   91     GLN   CA     .   18007   1    
     73    .   1   1   8    8    GLN   HA     H   1    4.230     0.001   .   1   .   60    .   .   91     GLN   HA     .   18007   1    
     74    .   1   1   8    8    GLN   CB     C   13   29.137    0.026   .   1   .   61    .   .   91     GLN   CB     .   18007   1    
     75    .   1   1   8    8    GLN   HB2    H   1    1.791     0.020   .   2   .   62    .   .   91     GLN   HB2    .   18007   1    
     76    .   1   1   8    8    GLN   HB3    H   1    1.875     0.020   .   2   .   63    .   .   91     GLN   HB3    .   18007   1    
     77    .   1   1   8    8    GLN   CG     C   13   33.529    0.087   .   1   .   64    .   .   91     GLN   CG     .   18007   1    
     78    .   1   1   8    8    GLN   HG2    H   1    2.075     0.006   .   1   .   65    .   .   91     GLN   HG2    .   18007   1    
     79    .   1   1   8    8    GLN   NE2    N   15   112.225   0.036   .   1   .   66    .   .   91     GLN   NE2    .   18007   1    
     80    .   1   1   8    8    GLN   HE21   H   1    7.287     0.001   .   1   .   67    .   .   91     GLN   HE21   .   18007   1    
     81    .   1   1   8    8    GLN   HE22   H   1    6.731     0.020   .   1   .   68    .   .   91     GLN   HE22   .   18007   1    
     82    .   1   1   8    8    GLN   HG3    H   1    2.075     0.006   .   1   .   619   .   .   91     GLN   HG3    .   18007   1    
     83    .   1   1   9    9    TRP   N      N   15   122.534   0.019   .   1   .   69    .   .   92     TRP   N      .   18007   1    
     84    .   1   1   9    9    TRP   H      H   1    7.727     0.008   .   1   .   70    .   .   92     TRP   H      .   18007   1    
     85    .   1   1   9    9    TRP   CA     C   13   56.961    0.200   .   1   .   71    .   .   92     TRP   CA     .   18007   1    
     86    .   1   1   9    9    TRP   HA     H   1    4.787     0.001   .   1   .   72    .   .   92     TRP   HA     .   18007   1    
     87    .   1   1   9    9    TRP   CB     C   13   32.272    0.095   .   1   .   73    .   .   92     TRP   CB     .   18007   1    
     88    .   1   1   9    9    TRP   HB2    H   1    2.809     0.020   .   2   .   74    .   .   92     TRP   HB2    .   18007   1    
     89    .   1   1   9    9    TRP   HB3    H   1    3.021     0.005   .   2   .   75    .   .   92     TRP   HB3    .   18007   1    
     90    .   1   1   9    9    TRP   CD1    C   13   127.588   0.006   .   1   .   76    .   .   92     TRP   CD1    .   18007   1    
     91    .   1   1   9    9    TRP   CE3    C   13   121.783   0.200   .   1   .   77    .   .   92     TRP   CE3    .   18007   1    
     92    .   1   1   9    9    TRP   NE1    N   15   128.350   0.024   .   1   .   78    .   .   92     TRP   NE1    .   18007   1    
     93    .   1   1   9    9    TRP   HD1    H   1    7.207     0.019   .   1   .   79    .   .   92     TRP   HD1    .   18007   1    
     94    .   1   1   9    9    TRP   HE3    H   1    7.922     0.020   .   1   .   80    .   .   92     TRP   HE3    .   18007   1    
     95    .   1   1   9    9    TRP   CZ3    C   13   121.305   0.112   .   1   .   81    .   .   92     TRP   CZ3    .   18007   1    
     96    .   1   1   9    9    TRP   CZ2    C   13   114.525   0.200   .   1   .   82    .   .   92     TRP   CZ2    .   18007   1    
     97    .   1   1   9    9    TRP   HE1    H   1    10.083    0.015   .   1   .   83    .   .   92     TRP   HE1    .   18007   1    
     98    .   1   1   9    9    TRP   HZ3    H   1    7.270     0.007   .   1   .   84    .   .   92     TRP   HZ3    .   18007   1    
     99    .   1   1   9    9    TRP   CH2    C   13   124.346   0.201   .   1   .   85    .   .   92     TRP   CH2    .   18007   1    
     100   .   1   1   9    9    TRP   HZ2    H   1    7.038     0.020   .   1   .   86    .   .   92     TRP   HZ2    .   18007   1    
     101   .   1   1   9    9    TRP   HH2    H   1    7.046     0.010   .   1   .   87    .   .   92     TRP   HH2    .   18007   1    
     102   .   1   1   10   10   LYS   N      N   15   120.137   0.009   .   1   .   88    .   .   93     LYS   N      .   18007   1    
     103   .   1   1   10   10   LYS   H      H   1    8.932     0.008   .   1   .   89    .   .   93     LYS   H      .   18007   1    
     104   .   1   1   10   10   LYS   CA     C   13   54.418    0.105   .   1   .   90    .   .   93     LYS   CA     .   18007   1    
     105   .   1   1   10   10   LYS   HA     H   1    4.679     0.003   .   1   .   91    .   .   93     LYS   HA     .   18007   1    
     106   .   1   1   10   10   LYS   CB     C   13   35.731    0.070   .   1   .   92    .   .   93     LYS   CB     .   18007   1    
     107   .   1   1   10   10   LYS   HB2    H   1    1.750     0.020   .   2   .   93    .   .   93     LYS   HB2    .   18007   1    
     108   .   1   1   10   10   LYS   HB3    H   1    1.815     0.014   .   2   .   94    .   .   93     LYS   HB3    .   18007   1    
     109   .   1   1   10   10   LYS   CG     C   13   23.572    0.069   .   1   .   95    .   .   93     LYS   CG     .   18007   1    
     110   .   1   1   10   10   LYS   HG2    H   1    1.354     0.011   .   2   .   96    .   .   93     LYS   HG2    .   18007   1    
     111   .   1   1   10   10   LYS   HG3    H   1    1.603     0.010   .   2   .   97    .   .   93     LYS   HG3    .   18007   1    
     112   .   1   1   10   10   LYS   CD     C   13   28.983    0.030   .   1   .   98    .   .   93     LYS   CD     .   18007   1    
     113   .   1   1   10   10   LYS   HD2    H   1    1.709     0.013   .   1   .   99    .   .   93     LYS   HD2    .   18007   1    
     114   .   1   1   10   10   LYS   CE     C   13   41.817    0.072   .   1   .   100   .   .   93     LYS   CE     .   18007   1    
     115   .   1   1   10   10   LYS   HE2    H   1    3.058     0.015   .   1   .   101   .   .   93     LYS   HE2    .   18007   1    
     116   .   1   1   10   10   LYS   HD3    H   1    1.709     0.013   .   1   .   620   .   .   93     LYS   HD3    .   18007   1    
     117   .   1   1   10   10   LYS   HE3    H   1    3.058     0.015   .   1   .   621   .   .   93     LYS   HE3    .   18007   1    
     118   .   1   1   11   11   VAL   N      N   15   120.733   0.006   .   1   .   102   .   .   94     VAL   N      .   18007   1    
     119   .   1   1   11   11   VAL   H      H   1    8.472     0.002   .   1   .   103   .   .   94     VAL   H      .   18007   1    
     120   .   1   1   11   11   VAL   CA     C   13   66.177    0.075   .   1   .   104   .   .   94     VAL   CA     .   18007   1    
     121   .   1   1   11   11   VAL   HA     H   1    3.157     0.006   .   1   .   105   .   .   94     VAL   HA     .   18007   1    
     122   .   1   1   11   11   VAL   CB     C   13   31.303    0.050   .   1   .   106   .   .   94     VAL   CB     .   18007   1    
     123   .   1   1   11   11   VAL   HB     H   1    1.892     0.010   .   1   .   107   .   .   94     VAL   HB     .   18007   1    
     124   .   1   1   11   11   VAL   HG11   H   1    0.869     0.001   .   2   .   108   .   .   94     VAL   HG11   .   18007   1    
     125   .   1   1   11   11   VAL   HG12   H   1    0.869     0.001   .   2   .   108   .   .   94     VAL   HG12   .   18007   1    
     126   .   1   1   11   11   VAL   HG13   H   1    0.869     0.001   .   2   .   108   .   .   94     VAL   HG13   .   18007   1    
     127   .   1   1   11   11   VAL   HG21   H   1    0.970     0.001   .   2   .   109   .   .   94     VAL   HG21   .   18007   1    
     128   .   1   1   11   11   VAL   HG22   H   1    0.970     0.001   .   2   .   109   .   .   94     VAL   HG22   .   18007   1    
     129   .   1   1   11   11   VAL   HG23   H   1    0.970     0.001   .   2   .   109   .   .   94     VAL   HG23   .   18007   1    
     130   .   1   1   11   11   VAL   CG1    C   13   21.496    0.015   .   2   .   110   .   .   94     VAL   CG1    .   18007   1    
     131   .   1   1   11   11   VAL   CG2    C   13   23.556    0.021   .   2   .   111   .   .   94     VAL   CG2    .   18007   1    
     132   .   1   1   12   12   GLY   N      N   15   116.611   0.001   .   1   .   112   .   .   95     GLY   N      .   18007   1    
     133   .   1   1   12   12   GLY   H      H   1    8.963     0.004   .   1   .   113   .   .   95     GLY   H      .   18007   1    
     134   .   1   1   12   12   GLY   CA     C   13   44.501    0.024   .   1   .   114   .   .   95     GLY   CA     .   18007   1    
     135   .   1   1   12   12   GLY   HA2    H   1    3.559     0.004   .   2   .   115   .   .   95     GLY   HA2    .   18007   1    
     136   .   1   1   12   12   GLY   HA3    H   1    4.447     0.021   .   2   .   116   .   .   95     GLY   HA3    .   18007   1    
     137   .   1   1   13   13   ASP   N      N   15   121.084   0.160   .   1   .   117   .   .   96     ASP   N      .   18007   1    
     138   .   1   1   13   13   ASP   H      H   1    8.073     0.005   .   1   .   118   .   .   96     ASP   H      .   18007   1    
     139   .   1   1   13   13   ASP   CA     C   13   55.636    0.095   .   1   .   119   .   .   96     ASP   CA     .   18007   1    
     140   .   1   1   13   13   ASP   HA     H   1    4.658     0.002   .   1   .   120   .   .   96     ASP   HA     .   18007   1    
     141   .   1   1   13   13   ASP   CB     C   13   41.636    0.086   .   1   .   121   .   .   96     ASP   CB     .   18007   1    
     142   .   1   1   13   13   ASP   HB2    H   1    2.937     0.005   .   2   .   122   .   .   96     ASP   HB2    .   18007   1    
     143   .   1   1   13   13   ASP   HB3    H   1    3.230     0.020   .   2   .   123   .   .   96     ASP   HB3    .   18007   1    
     144   .   1   1   14   14   LYS   N      N   15   119.172   0.028   .   1   .   124   .   .   97     LYS   N      .   18007   1    
     145   .   1   1   14   14   LYS   H      H   1    8.364     0.012   .   1   .   125   .   .   97     LYS   H      .   18007   1    
     146   .   1   1   14   14   LYS   CA     C   13   55.968    0.200   .   1   .   126   .   .   97     LYS   CA     .   18007   1    
     147   .   1   1   14   14   LYS   HA     H   1    4.862     0.006   .   1   .   127   .   .   97     LYS   HA     .   18007   1    
     148   .   1   1   14   14   LYS   CB     C   13   33.212    0.027   .   1   .   128   .   .   97     LYS   CB     .   18007   1    
     149   .   1   1   14   14   LYS   HB2    H   1    1.796     0.001   .   2   .   129   .   .   97     LYS   HB2    .   18007   1    
     150   .   1   1   14   14   LYS   HB3    H   1    2.143     0.020   .   2   .   130   .   .   97     LYS   HB3    .   18007   1    
     151   .   1   1   14   14   LYS   CG     C   13   25.592    0.105   .   1   .   131   .   .   97     LYS   CG     .   18007   1    
     152   .   1   1   14   14   LYS   HG2    H   1    1.540     0.020   .   2   .   132   .   .   97     LYS   HG2    .   18007   1    
     153   .   1   1   14   14   LYS   HG3    H   1    1.737     0.020   .   2   .   133   .   .   97     LYS   HG3    .   18007   1    
     154   .   1   1   14   14   LYS   CD     C   13   29.249    0.038   .   1   .   134   .   .   97     LYS   CD     .   18007   1    
     155   .   1   1   14   14   LYS   HD2    H   1    1.743     0.020   .   1   .   135   .   .   97     LYS   HD2    .   18007   1    
     156   .   1   1   14   14   LYS   CE     C   13   42.166    0.025   .   1   .   136   .   .   97     LYS   CE     .   18007   1    
     157   .   1   1   14   14   LYS   HE2    H   1    3.025     0.006   .   1   .   137   .   .   97     LYS   HE2    .   18007   1    
     158   .   1   1   14   14   LYS   HD3    H   1    1.743     0.020   .   1   .   622   .   .   97     LYS   HD3    .   18007   1    
     159   .   1   1   14   14   LYS   HE3    H   1    3.025     0.006   .   1   .   623   .   .   97     LYS   HE3    .   18007   1    
     160   .   1   1   15   15   CYS   N      N   15   115.542   0.014   .   1   .   138   .   .   98     CYS   N      .   18007   1    
     161   .   1   1   15   15   CYS   H      H   1    8.918     0.008   .   1   .   139   .   .   98     CYS   H      .   18007   1    
     162   .   1   1   15   15   CYS   CA     C   13   55.820    0.046   .   1   .   140   .   .   98     CYS   CA     .   18007   1    
     163   .   1   1   15   15   CYS   HA     H   1    5.018     0.020   .   1   .   141   .   .   98     CYS   HA     .   18007   1    
     164   .   1   1   15   15   CYS   CB     C   13   32.308    0.023   .   1   .   142   .   .   98     CYS   CB     .   18007   1    
     165   .   1   1   15   15   CYS   HB2    H   1    2.774     0.020   .   1   .   143   .   .   98     CYS   HB2    .   18007   1    
     166   .   1   1   15   15   CYS   HG     H   1    0.657     0.015   .   1   .   144   .   .   98     CYS   HG     .   18007   1    
     167   .   1   1   15   15   CYS   HB3    H   1    2.774     0.020   .   1   .   624   .   .   98     CYS   HB3    .   18007   1    
     168   .   1   1   16   16   SER   N      N   15   116.284   0.035   .   1   .   145   .   .   99     SER   N      .   18007   1    
     169   .   1   1   16   16   SER   H      H   1    8.544     0.003   .   1   .   146   .   .   99     SER   H      .   18007   1    
     170   .   1   1   16   16   SER   CA     C   13   58.757    0.012   .   1   .   147   .   .   99     SER   CA     .   18007   1    
     171   .   1   1   16   16   SER   HA     H   1    5.147     0.003   .   1   .   148   .   .   99     SER   HA     .   18007   1    
     172   .   1   1   16   16   SER   CB     C   13   65.029    0.016   .   1   .   149   .   .   99     SER   CB     .   18007   1    
     173   .   1   1   16   16   SER   HB2    H   1    3.510     0.003   .   2   .   150   .   .   99     SER   HB2    .   18007   1    
     174   .   1   1   16   16   SER   HB3    H   1    3.638     0.020   .   2   .   151   .   .   99     SER   HB3    .   18007   1    
     175   .   1   1   17   17   ALA   N      N   15   124.528   0.064   .   1   .   152   .   .   100    ALA   N      .   18007   1    
     176   .   1   1   17   17   ALA   H      H   1    9.006     0.001   .   1   .   153   .   .   100    ALA   H      .   18007   1    
     177   .   1   1   17   17   ALA   CA     C   13   50.441    0.118   .   1   .   154   .   .   100    ALA   CA     .   18007   1    
     178   .   1   1   17   17   ALA   HA     H   1    4.885     0.020   .   1   .   155   .   .   100    ALA   HA     .   18007   1    
     179   .   1   1   17   17   ALA   HB1    H   1    1.116     0.020   .   1   .   156   .   .   100    ALA   HB1    .   18007   1    
     180   .   1   1   17   17   ALA   HB2    H   1    1.116     0.020   .   1   .   156   .   .   100    ALA   HB2    .   18007   1    
     181   .   1   1   17   17   ALA   HB3    H   1    1.116     0.020   .   1   .   156   .   .   100    ALA   HB3    .   18007   1    
     182   .   1   1   17   17   ALA   CB     C   13   22.190    0.004   .   1   .   157   .   .   100    ALA   CB     .   18007   1    
     183   .   1   1   18   18   ILE   N      N   15   121.585   0.030   .   1   .   158   .   .   101    ILE   N      .   18007   1    
     184   .   1   1   18   18   ILE   H      H   1    8.976     0.013   .   1   .   159   .   .   101    ILE   H      .   18007   1    
     185   .   1   1   18   18   ILE   CA     C   13   60.575    0.141   .   1   .   160   .   .   101    ILE   CA     .   18007   1    
     186   .   1   1   18   18   ILE   HA     H   1    4.379     0.007   .   1   .   161   .   .   101    ILE   HA     .   18007   1    
     187   .   1   1   18   18   ILE   CB     C   13   38.287    0.109   .   1   .   162   .   .   101    ILE   CB     .   18007   1    
     188   .   1   1   18   18   ILE   HB     H   1    1.790     0.003   .   1   .   163   .   .   101    ILE   HB     .   18007   1    
     189   .   1   1   18   18   ILE   HG21   H   1    0.619     0.011   .   1   .   164   .   .   101    ILE   HG21   .   18007   1    
     190   .   1   1   18   18   ILE   HG22   H   1    0.619     0.011   .   1   .   164   .   .   101    ILE   HG22   .   18007   1    
     191   .   1   1   18   18   ILE   HG23   H   1    0.619     0.011   .   1   .   164   .   .   101    ILE   HG23   .   18007   1    
     192   .   1   1   18   18   ILE   CG2    C   13   17.354    0.060   .   1   .   165   .   .   101    ILE   CG2    .   18007   1    
     193   .   1   1   18   18   ILE   CG1    C   13   28.933    0.050   .   1   .   166   .   .   101    ILE   CG1    .   18007   1    
     194   .   1   1   18   18   ILE   HG12   H   1    0.859     0.009   .   2   .   167   .   .   101    ILE   HG12   .   18007   1    
     195   .   1   1   18   18   ILE   HG13   H   1    1.517     0.026   .   2   .   168   .   .   101    ILE   HG13   .   18007   1    
     196   .   1   1   18   18   ILE   HD11   H   1    0.843     0.001   .   1   .   169   .   .   101    ILE   HD11   .   18007   1    
     197   .   1   1   18   18   ILE   HD12   H   1    0.843     0.001   .   1   .   169   .   .   101    ILE   HD12   .   18007   1    
     198   .   1   1   18   18   ILE   HD13   H   1    0.843     0.001   .   1   .   169   .   .   101    ILE   HD13   .   18007   1    
     199   .   1   1   18   18   ILE   CD1    C   13   13.715    0.087   .   1   .   170   .   .   101    ILE   CD1    .   18007   1    
     200   .   1   1   19   19   TRP   N      N   15   132.430   0.054   .   1   .   171   .   .   102    TRP   N      .   18007   1    
     201   .   1   1   19   19   TRP   H      H   1    9.111     0.006   .   1   .   172   .   .   102    TRP   H      .   18007   1    
     202   .   1   1   19   19   TRP   CA     C   13   54.940    0.091   .   1   .   173   .   .   102    TRP   CA     .   18007   1    
     203   .   1   1   19   19   TRP   HA     H   1    5.351     0.004   .   1   .   174   .   .   102    TRP   HA     .   18007   1    
     204   .   1   1   19   19   TRP   CB     C   13   29.721    0.029   .   1   .   175   .   .   102    TRP   CB     .   18007   1    
     205   .   1   1   19   19   TRP   HB2    H   1    2.572     0.001   .   2   .   176   .   .   102    TRP   HB2    .   18007   1    
     206   .   1   1   19   19   TRP   HB3    H   1    3.833     0.006   .   2   .   177   .   .   102    TRP   HB3    .   18007   1    
     207   .   1   1   19   19   TRP   CD1    C   13   126.441   0.160   .   1   .   178   .   .   102    TRP   CD1    .   18007   1    
     208   .   1   1   19   19   TRP   CE3    C   13   121.759   0.139   .   1   .   179   .   .   102    TRP   CE3    .   18007   1    
     209   .   1   1   19   19   TRP   NE1    N   15   128.197   0.062   .   1   .   180   .   .   102    TRP   NE1    .   18007   1    
     210   .   1   1   19   19   TRP   HD1    H   1    7.529     0.020   .   1   .   181   .   .   102    TRP   HD1    .   18007   1    
     211   .   1   1   19   19   TRP   HE3    H   1    7.604     0.006   .   1   .   182   .   .   102    TRP   HE3    .   18007   1    
     212   .   1   1   19   19   TRP   CZ3    C   13   121.736   0.192   .   1   .   183   .   .   102    TRP   CZ3    .   18007   1    
     213   .   1   1   19   19   TRP   CZ2    C   13   114.316   0.109   .   1   .   184   .   .   102    TRP   CZ2    .   18007   1    
     214   .   1   1   19   19   TRP   HE1    H   1    9.998     0.020   .   1   .   185   .   .   102    TRP   HE1    .   18007   1    
     215   .   1   1   19   19   TRP   HZ3    H   1    6.690     0.009   .   1   .   186   .   .   102    TRP   HZ3    .   18007   1    
     216   .   1   1   19   19   TRP   CH2    C   13   124.998   0.154   .   1   .   187   .   .   102    TRP   CH2    .   18007   1    
     217   .   1   1   19   19   TRP   HZ2    H   1    7.044     0.004   .   1   .   188   .   .   102    TRP   HZ2    .   18007   1    
     218   .   1   1   19   19   TRP   HH2    H   1    6.804     0.011   .   1   .   189   .   .   102    TRP   HH2    .   18007   1    
     219   .   1   1   20   20   SER   N      N   15   126.603   0.038   .   1   .   190   .   .   103    SER   N      .   18007   1    
     220   .   1   1   20   20   SER   H      H   1    9.219     0.003   .   1   .   191   .   .   103    SER   H      .   18007   1    
     221   .   1   1   20   20   SER   CA     C   13   61.547    0.195   .   1   .   192   .   .   103    SER   CA     .   18007   1    
     222   .   1   1   20   20   SER   HA     H   1    3.851     0.020   .   1   .   193   .   .   103    SER   HA     .   18007   1    
     223   .   1   1   20   20   SER   CB     C   13   62.120    0.025   .   1   .   194   .   .   103    SER   CB     .   18007   1    
     224   .   1   1   20   20   SER   HB2    H   1    3.647     0.001   .   2   .   195   .   .   103    SER   HB2    .   18007   1    
     225   .   1   1   20   20   SER   HB3    H   1    3.945     0.020   .   2   .   196   .   .   103    SER   HB3    .   18007   1    
     226   .   1   1   21   21   GLU   N      N   15   116.743   0.014   .   1   .   197   .   .   104    GLU   N      .   18007   1    
     227   .   1   1   21   21   GLU   H      H   1    5.025     0.004   .   1   .   198   .   .   104    GLU   H      .   18007   1    
     228   .   1   1   21   21   GLU   CA     C   13   58.240    0.005   .   1   .   199   .   .   104    GLU   CA     .   18007   1    
     229   .   1   1   21   21   GLU   HA     H   1    3.553     0.003   .   1   .   200   .   .   104    GLU   HA     .   18007   1    
     230   .   1   1   21   21   GLU   CB     C   13   27.891    0.057   .   1   .   201   .   .   104    GLU   CB     .   18007   1    
     231   .   1   1   21   21   GLU   HB2    H   1    -0.223    0.005   .   2   .   202   .   .   104    GLU   HB2    .   18007   1    
     232   .   1   1   21   21   GLU   HB3    H   1    0.403     0.009   .   2   .   203   .   .   104    GLU   HB3    .   18007   1    
     233   .   1   1   21   21   GLU   CG     C   13   36.159    0.049   .   1   .   204   .   .   104    GLU   CG     .   18007   1    
     234   .   1   1   21   21   GLU   HG2    H   1    1.519     0.016   .   1   .   205   .   .   104    GLU   HG2    .   18007   1    
     235   .   1   1   21   21   GLU   HG3    H   1    1.519     0.016   .   1   .   625   .   .   104    GLU   HG3    .   18007   1    
     236   .   1   1   22   22   ASP   N      N   15   112.833   0.005   .   1   .   206   .   .   105    ASP   N      .   18007   1    
     237   .   1   1   22   22   ASP   H      H   1    6.536     0.012   .   1   .   207   .   .   105    ASP   H      .   18007   1    
     238   .   1   1   22   22   ASP   CA     C   13   52.684    0.094   .   1   .   208   .   .   105    ASP   CA     .   18007   1    
     239   .   1   1   22   22   ASP   HA     H   1    4.692     0.008   .   1   .   209   .   .   105    ASP   HA     .   18007   1    
     240   .   1   1   22   22   ASP   CB     C   13   42.396    0.120   .   1   .   210   .   .   105    ASP   CB     .   18007   1    
     241   .   1   1   22   22   ASP   HB2    H   1    2.329     0.010   .   2   .   211   .   .   105    ASP   HB2    .   18007   1    
     242   .   1   1   22   22   ASP   HB3    H   1    3.106     0.007   .   2   .   212   .   .   105    ASP   HB3    .   18007   1    
     243   .   1   1   23   23   GLY   N      N   15   110.323   0.003   .   1   .   213   .   .   106    GLY   N      .   18007   1    
     244   .   1   1   23   23   GLY   H      H   1    8.708     0.020   .   1   .   214   .   .   106    GLY   H      .   18007   1    
     245   .   1   1   23   23   GLY   CA     C   13   46.617    0.030   .   1   .   215   .   .   106    GLY   CA     .   18007   1    
     246   .   1   1   23   23   GLY   HA2    H   1    3.596     0.020   .   2   .   216   .   .   106    GLY   HA2    .   18007   1    
     247   .   1   1   23   23   GLY   HA3    H   1    3.986     0.020   .   2   .   217   .   .   106    GLY   HA3    .   18007   1    
     248   .   1   1   24   24   CYS   N      N   15   120.364   0.022   .   1   .   218   .   .   107    CYS   N      .   18007   1    
     249   .   1   1   24   24   CYS   H      H   1    8.816     0.005   .   1   .   219   .   .   107    CYS   H      .   18007   1    
     250   .   1   1   24   24   CYS   CA     C   13   58.823    0.131   .   1   .   220   .   .   107    CYS   CA     .   18007   1    
     251   .   1   1   24   24   CYS   HA     H   1    4.579     0.020   .   1   .   221   .   .   107    CYS   HA     .   18007   1    
     252   .   1   1   24   24   CYS   CB     C   13   28.731    0.025   .   1   .   222   .   .   107    CYS   CB     .   18007   1    
     253   .   1   1   24   24   CYS   HB2    H   1    2.610     0.004   .   2   .   223   .   .   107    CYS   HB2    .   18007   1    
     254   .   1   1   24   24   CYS   HB3    H   1    3.244     0.020   .   2   .   224   .   .   107    CYS   HB3    .   18007   1    
     255   .   1   1   25   25   ILE   N      N   15   120.310   0.005   .   1   .   225   .   .   108    ILE   N      .   18007   1    
     256   .   1   1   25   25   ILE   H      H   1    7.872     0.010   .   1   .   226   .   .   108    ILE   H      .   18007   1    
     257   .   1   1   25   25   ILE   CA     C   13   61.417    0.228   .   1   .   227   .   .   108    ILE   CA     .   18007   1    
     258   .   1   1   25   25   ILE   HA     H   1    4.388     0.003   .   1   .   228   .   .   108    ILE   HA     .   18007   1    
     259   .   1   1   25   25   ILE   CB     C   13   39.352    0.062   .   1   .   229   .   .   108    ILE   CB     .   18007   1    
     260   .   1   1   25   25   ILE   HB     H   1    1.441     0.011   .   1   .   230   .   .   108    ILE   HB     .   18007   1    
     261   .   1   1   25   25   ILE   HG21   H   1    0.736     0.005   .   1   .   231   .   .   108    ILE   HG21   .   18007   1    
     262   .   1   1   25   25   ILE   HG22   H   1    0.736     0.005   .   1   .   231   .   .   108    ILE   HG22   .   18007   1    
     263   .   1   1   25   25   ILE   HG23   H   1    0.736     0.005   .   1   .   231   .   .   108    ILE   HG23   .   18007   1    
     264   .   1   1   25   25   ILE   CG2    C   13   19.206    0.032   .   1   .   232   .   .   108    ILE   CG2    .   18007   1    
     265   .   1   1   25   25   ILE   CG1    C   13   29.127    0.090   .   1   .   233   .   .   108    ILE   CG1    .   18007   1    
     266   .   1   1   25   25   ILE   HG12   H   1    0.757     0.021   .   2   .   234   .   .   108    ILE   HG12   .   18007   1    
     267   .   1   1   25   25   ILE   HG13   H   1    1.546     0.012   .   2   .   235   .   .   108    ILE   HG13   .   18007   1    
     268   .   1   1   25   25   ILE   HD11   H   1    0.794     0.003   .   1   .   236   .   .   108    ILE   HD11   .   18007   1    
     269   .   1   1   25   25   ILE   HD12   H   1    0.794     0.003   .   1   .   236   .   .   108    ILE   HD12   .   18007   1    
     270   .   1   1   25   25   ILE   HD13   H   1    0.794     0.003   .   1   .   236   .   .   108    ILE   HD13   .   18007   1    
     271   .   1   1   25   25   ILE   CD1    C   13   14.015    0.056   .   1   .   237   .   .   108    ILE   CD1    .   18007   1    
     272   .   1   1   26   26   TYR   N      N   15   125.409   0.006   .   1   .   238   .   .   109    TYR   N      .   18007   1    
     273   .   1   1   26   26   TYR   H      H   1    9.257     0.001   .   1   .   239   .   .   109    TYR   H      .   18007   1    
     274   .   1   1   26   26   TYR   CA     C   13   56.239    0.100   .   1   .   240   .   .   109    TYR   CA     .   18007   1    
     275   .   1   1   26   26   TYR   HA     H   1    5.071     0.008   .   1   .   241   .   .   109    TYR   HA     .   18007   1    
     276   .   1   1   26   26   TYR   CB     C   13   42.320    0.067   .   1   .   242   .   .   109    TYR   CB     .   18007   1    
     277   .   1   1   26   26   TYR   HB2    H   1    2.671     0.005   .   2   .   243   .   .   109    TYR   HB2    .   18007   1    
     278   .   1   1   26   26   TYR   HB3    H   1    3.498     0.003   .   2   .   244   .   .   109    TYR   HB3    .   18007   1    
     279   .   1   1   26   26   TYR   HD1    H   1    7.162     0.004   .   3   .   245   .   .   109    TYR   HD1    .   18007   1    
     280   .   1   1   26   26   TYR   HD2    H   1    7.162     0.004   .   3   .   245   .   .   109    TYR   HD2    .   18007   1    
     281   .   1   1   26   26   TYR   HE1    H   1    7.328     0.009   .   3   .   246   .   .   109    TYR   HE1    .   18007   1    
     282   .   1   1   26   26   TYR   HE2    H   1    7.328     0.009   .   3   .   246   .   .   109    TYR   HE2    .   18007   1    
     283   .   1   1   26   26   TYR   CD1    C   13   134.002   0.078   .   3   .   247   .   .   109    TYR   CD1    .   18007   1    
     284   .   1   1   26   26   TYR   CD2    C   13   134.002   0.078   .   3   .   247   .   .   109    TYR   CD2    .   18007   1    
     285   .   1   1   26   26   TYR   CE1    C   13   118.682   0.143   .   3   .   248   .   .   109    TYR   CE1    .   18007   1    
     286   .   1   1   26   26   TYR   CE2    C   13   118.682   0.143   .   3   .   248   .   .   109    TYR   CE2    .   18007   1    
     287   .   1   1   27   27   PRO   CD     C   13   51.151    0.103   .   1   .   249   .   .   110    PRO   CD     .   18007   1    
     288   .   1   1   27   27   PRO   CA     C   13   63.027    0.062   .   1   .   250   .   .   110    PRO   CA     .   18007   1    
     289   .   1   1   27   27   PRO   HA     H   1    4.923     0.013   .   1   .   251   .   .   110    PRO   HA     .   18007   1    
     290   .   1   1   27   27   PRO   CB     C   13   32.957    0.084   .   1   .   252   .   .   110    PRO   CB     .   18007   1    
     291   .   1   1   27   27   PRO   HB2    H   1    2.112     0.020   .   2   .   253   .   .   110    PRO   HB2    .   18007   1    
     292   .   1   1   27   27   PRO   HB3    H   1    2.579     0.004   .   2   .   254   .   .   110    PRO   HB3    .   18007   1    
     293   .   1   1   27   27   PRO   CG     C   13   27.698    0.047   .   1   .   255   .   .   110    PRO   CG     .   18007   1    
     294   .   1   1   27   27   PRO   HG2    H   1    2.191     0.001   .   2   .   256   .   .   110    PRO   HG2    .   18007   1    
     295   .   1   1   27   27   PRO   HG3    H   1    2.339     0.010   .   2   .   257   .   .   110    PRO   HG3    .   18007   1    
     296   .   1   1   27   27   PRO   HD2    H   1    3.993     0.004   .   2   .   258   .   .   110    PRO   HD2    .   18007   1    
     297   .   1   1   27   27   PRO   HD3    H   1    4.201     0.008   .   2   .   259   .   .   110    PRO   HD3    .   18007   1    
     298   .   1   1   28   28   ALA   N      N   15   124.847   0.041   .   1   .   260   .   .   111    ALA   N      .   18007   1    
     299   .   1   1   28   28   ALA   H      H   1    8.893     0.013   .   1   .   261   .   .   111    ALA   H      .   18007   1    
     300   .   1   1   28   28   ALA   CA     C   13   51.433    0.016   .   1   .   262   .   .   111    ALA   CA     .   18007   1    
     301   .   1   1   28   28   ALA   HA     H   1    5.142     0.020   .   1   .   263   .   .   111    ALA   HA     .   18007   1    
     302   .   1   1   28   28   ALA   HB1    H   1    0.830     0.020   .   1   .   264   .   .   111    ALA   HB1    .   18007   1    
     303   .   1   1   28   28   ALA   HB2    H   1    0.830     0.020   .   1   .   264   .   .   111    ALA   HB2    .   18007   1    
     304   .   1   1   28   28   ALA   HB3    H   1    0.830     0.020   .   1   .   264   .   .   111    ALA   HB3    .   18007   1    
     305   .   1   1   28   28   ALA   CB     C   13   23.157    0.019   .   1   .   265   .   .   111    ALA   CB     .   18007   1    
     306   .   1   1   29   29   THR   N      N   15   110.450   0.009   .   1   .   266   .   .   112    THR   N      .   18007   1    
     307   .   1   1   29   29   THR   H      H   1    7.985     0.002   .   1   .   267   .   .   112    THR   H      .   18007   1    
     308   .   1   1   29   29   THR   CA     C   13   60.296    0.022   .   1   .   268   .   .   112    THR   CA     .   18007   1    
     309   .   1   1   29   29   THR   HA     H   1    5.181     0.001   .   1   .   269   .   .   112    THR   HA     .   18007   1    
     310   .   1   1   29   29   THR   CB     C   13   72.103    0.008   .   1   .   270   .   .   112    THR   CB     .   18007   1    
     311   .   1   1   29   29   THR   HB     H   1    3.643     0.001   .   1   .   271   .   .   112    THR   HB     .   18007   1    
     312   .   1   1   29   29   THR   HG21   H   1    1.061     0.020   .   1   .   272   .   .   112    THR   HG21   .   18007   1    
     313   .   1   1   29   29   THR   HG22   H   1    1.061     0.020   .   1   .   272   .   .   112    THR   HG22   .   18007   1    
     314   .   1   1   29   29   THR   HG23   H   1    1.061     0.020   .   1   .   272   .   .   112    THR   HG23   .   18007   1    
     315   .   1   1   29   29   THR   CG2    C   13   22.032    0.113   .   1   .   273   .   .   112    THR   CG2    .   18007   1    
     316   .   1   1   30   30   ILE   N      N   15   121.898   0.027   .   1   .   274   .   .   113    ILE   N      .   18007   1    
     317   .   1   1   30   30   ILE   H      H   1    8.233     0.003   .   1   .   275   .   .   113    ILE   H      .   18007   1    
     318   .   1   1   30   30   ILE   CA     C   13   63.341    0.026   .   1   .   276   .   .   113    ILE   CA     .   18007   1    
     319   .   1   1   30   30   ILE   HA     H   1    3.907     0.004   .   1   .   277   .   .   113    ILE   HA     .   18007   1    
     320   .   1   1   30   30   ILE   CB     C   13   38.340    0.019   .   1   .   278   .   .   113    ILE   CB     .   18007   1    
     321   .   1   1   30   30   ILE   HB     H   1    1.880     0.004   .   1   .   279   .   .   113    ILE   HB     .   18007   1    
     322   .   1   1   30   30   ILE   HG21   H   1    0.590     0.015   .   1   .   280   .   .   113    ILE   HG21   .   18007   1    
     323   .   1   1   30   30   ILE   HG22   H   1    0.590     0.015   .   1   .   280   .   .   113    ILE   HG22   .   18007   1    
     324   .   1   1   30   30   ILE   HG23   H   1    0.590     0.015   .   1   .   280   .   .   113    ILE   HG23   .   18007   1    
     325   .   1   1   30   30   ILE   CG2    C   13   19.012    0.018   .   1   .   281   .   .   113    ILE   CG2    .   18007   1    
     326   .   1   1   30   30   ILE   CG1    C   13   28.185    0.077   .   1   .   282   .   .   113    ILE   CG1    .   18007   1    
     327   .   1   1   30   30   ILE   HG12   H   1    0.498     0.005   .   2   .   283   .   .   113    ILE   HG12   .   18007   1    
     328   .   1   1   30   30   ILE   HG13   H   1    1.573     0.005   .   2   .   284   .   .   113    ILE   HG13   .   18007   1    
     329   .   1   1   30   30   ILE   HD11   H   1    0.548     0.002   .   1   .   285   .   .   113    ILE   HD11   .   18007   1    
     330   .   1   1   30   30   ILE   HD12   H   1    0.548     0.002   .   1   .   285   .   .   113    ILE   HD12   .   18007   1    
     331   .   1   1   30   30   ILE   HD13   H   1    0.548     0.002   .   1   .   285   .   .   113    ILE   HD13   .   18007   1    
     332   .   1   1   30   30   ILE   CD1    C   13   14.939    0.031   .   1   .   286   .   .   113    ILE   CD1    .   18007   1    
     333   .   1   1   31   31   ALA   N      N   15   133.957   0.009   .   1   .   287   .   .   114    ALA   N      .   18007   1    
     334   .   1   1   31   31   ALA   H      H   1    9.530     0.006   .   1   .   288   .   .   114    ALA   H      .   18007   1    
     335   .   1   1   31   31   ALA   CA     C   13   53.300    0.043   .   1   .   289   .   .   114    ALA   CA     .   18007   1    
     336   .   1   1   31   31   ALA   HA     H   1    4.419     0.020   .   1   .   290   .   .   114    ALA   HA     .   18007   1    
     337   .   1   1   31   31   ALA   HB1    H   1    1.228     0.020   .   1   .   291   .   .   114    ALA   HB1    .   18007   1    
     338   .   1   1   31   31   ALA   HB2    H   1    1.228     0.020   .   1   .   291   .   .   114    ALA   HB2    .   18007   1    
     339   .   1   1   31   31   ALA   HB3    H   1    1.228     0.020   .   1   .   291   .   .   114    ALA   HB3    .   18007   1    
     340   .   1   1   31   31   ALA   CB     C   13   20.211    0.007   .   1   .   292   .   .   114    ALA   CB     .   18007   1    
     341   .   1   1   32   32   SER   N      N   15   109.788   0.005   .   1   .   293   .   .   115    SER   N      .   18007   1    
     342   .   1   1   32   32   SER   H      H   1    7.575     0.005   .   1   .   294   .   .   115    SER   H      .   18007   1    
     343   .   1   1   32   32   SER   CA     C   13   57.776    0.047   .   1   .   295   .   .   115    SER   CA     .   18007   1    
     344   .   1   1   32   32   SER   HA     H   1    4.378     0.020   .   1   .   296   .   .   115    SER   HA     .   18007   1    
     345   .   1   1   32   32   SER   CB     C   13   63.663    0.008   .   1   .   297   .   .   115    SER   CB     .   18007   1    
     346   .   1   1   32   32   SER   HB2    H   1    3.735     0.020   .   1   .   298   .   .   115    SER   HB2    .   18007   1    
     347   .   1   1   32   32   SER   HB3    H   1    3.735     0.020   .   1   .   626   .   .   115    SER   HB3    .   18007   1    
     348   .   1   1   33   33   ILE   N      N   15   120.486   0.031   .   1   .   299   .   .   116    ILE   N      .   18007   1    
     349   .   1   1   33   33   ILE   H      H   1    8.389     0.009   .   1   .   300   .   .   116    ILE   H      .   18007   1    
     350   .   1   1   33   33   ILE   CA     C   13   61.722    0.069   .   1   .   301   .   .   116    ILE   CA     .   18007   1    
     351   .   1   1   33   33   ILE   HA     H   1    4.132     0.011   .   1   .   302   .   .   116    ILE   HA     .   18007   1    
     352   .   1   1   33   33   ILE   CB     C   13   42.962    0.031   .   1   .   303   .   .   116    ILE   CB     .   18007   1    
     353   .   1   1   33   33   ILE   HB     H   1    0.992     0.017   .   1   .   304   .   .   116    ILE   HB     .   18007   1    
     354   .   1   1   33   33   ILE   HG21   H   1    0.026     0.004   .   1   .   305   .   .   116    ILE   HG21   .   18007   1    
     355   .   1   1   33   33   ILE   HG22   H   1    0.026     0.004   .   1   .   305   .   .   116    ILE   HG22   .   18007   1    
     356   .   1   1   33   33   ILE   HG23   H   1    0.026     0.004   .   1   .   305   .   .   116    ILE   HG23   .   18007   1    
     357   .   1   1   33   33   ILE   CG2    C   13   16.154    0.019   .   1   .   306   .   .   116    ILE   CG2    .   18007   1    
     358   .   1   1   33   33   ILE   CG1    C   13   29.299    0.153   .   1   .   307   .   .   116    ILE   CG1    .   18007   1    
     359   .   1   1   33   33   ILE   HG12   H   1    0.456     0.010   .   2   .   308   .   .   116    ILE   HG12   .   18007   1    
     360   .   1   1   33   33   ILE   HG13   H   1    1.192     0.009   .   2   .   309   .   .   116    ILE   HG13   .   18007   1    
     361   .   1   1   33   33   ILE   HD11   H   1    0.649     0.012   .   1   .   310   .   .   116    ILE   HD11   .   18007   1    
     362   .   1   1   33   33   ILE   HD12   H   1    0.649     0.012   .   1   .   310   .   .   116    ILE   HD12   .   18007   1    
     363   .   1   1   33   33   ILE   HD13   H   1    0.649     0.012   .   1   .   310   .   .   116    ILE   HD13   .   18007   1    
     364   .   1   1   33   33   ILE   CD1    C   13   14.285    0.020   .   1   .   311   .   .   116    ILE   CD1    .   18007   1    
     365   .   1   1   34   34   ASP   N      N   15   127.014   0.006   .   1   .   312   .   .   117    ASP   N      .   18007   1    
     366   .   1   1   34   34   ASP   H      H   1    8.622     0.021   .   1   .   313   .   .   117    ASP   H      .   18007   1    
     367   .   1   1   34   34   ASP   HA     H   1    4.752     0.001   .   1   .   314   .   .   117    ASP   HA     .   18007   1    
     368   .   1   1   34   34   ASP   CB     C   13   40.989    0.015   .   1   .   315   .   .   117    ASP   CB     .   18007   1    
     369   .   1   1   34   34   ASP   HB2    H   1    2.171     0.020   .   2   .   316   .   .   117    ASP   HB2    .   18007   1    
     370   .   1   1   34   34   ASP   HB3    H   1    3.137     0.020   .   2   .   317   .   .   117    ASP   HB3    .   18007   1    
     371   .   1   1   35   35   PHE   N      N   15   122.842   0.011   .   1   .   318   .   .   118    PHE   N      .   18007   1    
     372   .   1   1   35   35   PHE   H      H   1    8.634     0.001   .   1   .   319   .   .   118    PHE   H      .   18007   1    
     373   .   1   1   35   35   PHE   CA     C   13   61.864    0.042   .   1   .   320   .   .   118    PHE   CA     .   18007   1    
     374   .   1   1   35   35   PHE   HA     H   1    4.093     0.004   .   1   .   321   .   .   118    PHE   HA     .   18007   1    
     375   .   1   1   35   35   PHE   CB     C   13   39.033    0.018   .   1   .   322   .   .   118    PHE   CB     .   18007   1    
     376   .   1   1   35   35   PHE   HB2    H   1    2.931     0.001   .   2   .   323   .   .   118    PHE   HB2    .   18007   1    
     377   .   1   1   35   35   PHE   HB3    H   1    3.273     0.003   .   2   .   324   .   .   118    PHE   HB3    .   18007   1    
     378   .   1   1   35   35   PHE   HD1    H   1    7.358     0.001   .   3   .   325   .   .   118    PHE   HD1    .   18007   1    
     379   .   1   1   35   35   PHE   HD2    H   1    7.358     0.001   .   3   .   325   .   .   118    PHE   HD2    .   18007   1    
     380   .   1   1   35   35   PHE   HE1    H   1    7.440     0.003   .   3   .   326   .   .   118    PHE   HE1    .   18007   1    
     381   .   1   1   35   35   PHE   HE2    H   1    7.440     0.003   .   3   .   326   .   .   118    PHE   HE2    .   18007   1    
     382   .   1   1   35   35   PHE   CD1    C   13   131.945   0.111   .   3   .   327   .   .   118    PHE   CD1    .   18007   1    
     383   .   1   1   35   35   PHE   CD2    C   13   131.945   0.111   .   3   .   327   .   .   118    PHE   CD2    .   18007   1    
     384   .   1   1   35   35   PHE   CE1    C   13   131.709   0.196   .   3   .   328   .   .   118    PHE   CE1    .   18007   1    
     385   .   1   1   35   35   PHE   CE2    C   13   131.709   0.196   .   3   .   328   .   .   118    PHE   CE2    .   18007   1    
     386   .   1   1   35   35   PHE   CZ     C   13   130.682   0.200   .   1   .   329   .   .   118    PHE   CZ     .   18007   1    
     387   .   1   1   35   35   PHE   HZ     H   1    7.442     0.020   .   1   .   330   .   .   118    PHE   HZ     .   18007   1    
     388   .   1   1   36   36   LYS   N      N   15   119.205   0.018   .   1   .   331   .   .   119    LYS   N      .   18007   1    
     389   .   1   1   36   36   LYS   H      H   1    8.256     0.011   .   1   .   332   .   .   119    LYS   H      .   18007   1    
     390   .   1   1   36   36   LYS   CA     C   13   58.772    0.080   .   1   .   333   .   .   119    LYS   CA     .   18007   1    
     391   .   1   1   36   36   LYS   HA     H   1    4.236     0.011   .   1   .   334   .   .   119    LYS   HA     .   18007   1    
     392   .   1   1   36   36   LYS   CB     C   13   32.130    0.104   .   1   .   335   .   .   119    LYS   CB     .   18007   1    
     393   .   1   1   36   36   LYS   HB2    H   1    1.970     0.007   .   1   .   336   .   .   119    LYS   HB2    .   18007   1    
     394   .   1   1   36   36   LYS   CG     C   13   25.111    0.108   .   1   .   337   .   .   119    LYS   CG     .   18007   1    
     395   .   1   1   36   36   LYS   HG2    H   1    1.432     0.014   .   2   .   338   .   .   119    LYS   HG2    .   18007   1    
     396   .   1   1   36   36   LYS   HG3    H   1    1.517     0.023   .   2   .   339   .   .   119    LYS   HG3    .   18007   1    
     397   .   1   1   36   36   LYS   CD     C   13   28.894    0.112   .   1   .   340   .   .   119    LYS   CD     .   18007   1    
     398   .   1   1   36   36   LYS   HD2    H   1    1.659     0.020   .   2   .   341   .   .   119    LYS   HD2    .   18007   1    
     399   .   1   1   36   36   LYS   HD3    H   1    1.706     0.020   .   2   .   342   .   .   119    LYS   HD3    .   18007   1    
     400   .   1   1   36   36   LYS   HB3    H   1    1.970     0.007   .   1   .   627   .   .   119    LYS   HB3    .   18007   1    
     401   .   1   1   37   37   ARG   N      N   15   116.699   0.012   .   1   .   343   .   .   120    ARG   N      .   18007   1    
     402   .   1   1   37   37   ARG   H      H   1    7.549     0.014   .   1   .   344   .   .   120    ARG   H      .   18007   1    
     403   .   1   1   37   37   ARG   CA     C   13   56.454    0.052   .   1   .   345   .   .   120    ARG   CA     .   18007   1    
     404   .   1   1   37   37   ARG   HA     H   1    4.197     0.011   .   1   .   346   .   .   120    ARG   HA     .   18007   1    
     405   .   1   1   37   37   ARG   CB     C   13   31.175    0.023   .   1   .   347   .   .   120    ARG   CB     .   18007   1    
     406   .   1   1   37   37   ARG   HB2    H   1    1.418     0.020   .   2   .   348   .   .   120    ARG   HB2    .   18007   1    
     407   .   1   1   37   37   ARG   HB3    H   1    1.901     0.008   .   2   .   349   .   .   120    ARG   HB3    .   18007   1    
     408   .   1   1   37   37   ARG   CG     C   13   28.758    0.171   .   1   .   350   .   .   120    ARG   CG     .   18007   1    
     409   .   1   1   37   37   ARG   HG2    H   1    1.507     0.010   .   2   .   351   .   .   120    ARG   HG2    .   18007   1    
     410   .   1   1   37   37   ARG   HG3    H   1    1.648     0.006   .   2   .   352   .   .   120    ARG   HG3    .   18007   1    
     411   .   1   1   37   37   ARG   CD     C   13   43.307    0.129   .   1   .   353   .   .   120    ARG   CD     .   18007   1    
     412   .   1   1   37   37   ARG   HD2    H   1    3.114     0.008   .   2   .   354   .   .   120    ARG   HD2    .   18007   1    
     413   .   1   1   37   37   ARG   HD3    H   1    3.172     0.005   .   2   .   355   .   .   120    ARG   HD3    .   18007   1    
     414   .   1   1   38   38   GLU   N      N   15   115.175   0.048   .   1   .   356   .   .   121    GLU   N      .   18007   1    
     415   .   1   1   38   38   GLU   H      H   1    8.089     0.005   .   1   .   357   .   .   121    GLU   H      .   18007   1    
     416   .   1   1   38   38   GLU   CA     C   13   57.765    0.033   .   1   .   358   .   .   121    GLU   CA     .   18007   1    
     417   .   1   1   38   38   GLU   HA     H   1    3.701     0.003   .   1   .   359   .   .   121    GLU   HA     .   18007   1    
     418   .   1   1   38   38   GLU   CB     C   13   26.598    0.035   .   1   .   360   .   .   121    GLU   CB     .   18007   1    
     419   .   1   1   38   38   GLU   HB2    H   1    2.168     0.005   .   2   .   361   .   .   121    GLU   HB2    .   18007   1    
     420   .   1   1   38   38   GLU   HB3    H   1    2.426     0.009   .   2   .   362   .   .   121    GLU   HB3    .   18007   1    
     421   .   1   1   38   38   GLU   CG     C   13   37.094    0.041   .   1   .   363   .   .   121    GLU   CG     .   18007   1    
     422   .   1   1   38   38   GLU   HG2    H   1    2.167     0.016   .   1   .   364   .   .   121    GLU   HG2    .   18007   1    
     423   .   1   1   38   38   GLU   HG3    H   1    2.167     0.016   .   1   .   628   .   .   121    GLU   HG3    .   18007   1    
     424   .   1   1   39   39   THR   N      N   15   109.735   0.012   .   1   .   365   .   .   122    THR   N      .   18007   1    
     425   .   1   1   39   39   THR   H      H   1    7.919     0.020   .   1   .   366   .   .   122    THR   H      .   18007   1    
     426   .   1   1   39   39   THR   CA     C   13   59.369    0.006   .   1   .   367   .   .   122    THR   CA     .   18007   1    
     427   .   1   1   39   39   THR   HA     H   1    5.077     0.003   .   1   .   368   .   .   122    THR   HA     .   18007   1    
     428   .   1   1   39   39   THR   CB     C   13   72.686    0.100   .   1   .   369   .   .   122    THR   CB     .   18007   1    
     429   .   1   1   39   39   THR   HB     H   1    4.159     0.001   .   1   .   370   .   .   122    THR   HB     .   18007   1    
     430   .   1   1   39   39   THR   HG21   H   1    1.069     0.009   .   1   .   371   .   .   122    THR   HG21   .   18007   1    
     431   .   1   1   39   39   THR   HG22   H   1    1.069     0.009   .   1   .   371   .   .   122    THR   HG22   .   18007   1    
     432   .   1   1   39   39   THR   HG23   H   1    1.069     0.009   .   1   .   371   .   .   122    THR   HG23   .   18007   1    
     433   .   1   1   39   39   THR   CG2    C   13   21.363    0.050   .   1   .   372   .   .   122    THR   CG2    .   18007   1    
     434   .   1   1   40   40   CYS   N      N   15   114.270   0.024   .   1   .   373   .   .   123    CYS   N      .   18007   1    
     435   .   1   1   40   40   CYS   H      H   1    9.372     0.002   .   1   .   374   .   .   123    CYS   H      .   18007   1    
     436   .   1   1   40   40   CYS   CA     C   13   55.202    0.014   .   1   .   375   .   .   123    CYS   CA     .   18007   1    
     437   .   1   1   40   40   CYS   HA     H   1    5.135     0.002   .   1   .   376   .   .   123    CYS   HA     .   18007   1    
     438   .   1   1   40   40   CYS   CB     C   13   32.487    0.012   .   1   .   377   .   .   123    CYS   CB     .   18007   1    
     439   .   1   1   40   40   CYS   HB2    H   1    2.630     0.001   .   2   .   378   .   .   123    CYS   HB2    .   18007   1    
     440   .   1   1   40   40   CYS   HB3    H   1    3.088     0.002   .   2   .   379   .   .   123    CYS   HB3    .   18007   1    
     441   .   1   1   40   40   CYS   HG     H   1    0.880     0.007   .   1   .   380   .   .   123    CYS   HG     .   18007   1    
     442   .   1   1   41   41   VAL   N      N   15   118.960   0.043   .   1   .   381   .   .   124    VAL   N      .   18007   1    
     443   .   1   1   41   41   VAL   H      H   1    8.011     0.009   .   1   .   382   .   .   124    VAL   H      .   18007   1    
     444   .   1   1   41   41   VAL   CA     C   13   61.843    0.075   .   1   .   383   .   .   124    VAL   CA     .   18007   1    
     445   .   1   1   41   41   VAL   HA     H   1    4.535     0.009   .   1   .   384   .   .   124    VAL   HA     .   18007   1    
     446   .   1   1   41   41   VAL   CB     C   13   33.174    0.177   .   1   .   385   .   .   124    VAL   CB     .   18007   1    
     447   .   1   1   41   41   VAL   HB     H   1    1.877     0.009   .   1   .   386   .   .   124    VAL   HB     .   18007   1    
     448   .   1   1   41   41   VAL   HG11   H   1    0.688     0.012   .   2   .   387   .   .   124    VAL   HG11   .   18007   1    
     449   .   1   1   41   41   VAL   HG12   H   1    0.688     0.012   .   2   .   387   .   .   124    VAL   HG12   .   18007   1    
     450   .   1   1   41   41   VAL   HG13   H   1    0.688     0.012   .   2   .   387   .   .   124    VAL   HG13   .   18007   1    
     451   .   1   1   41   41   VAL   HG21   H   1    0.746     0.004   .   2   .   388   .   .   124    VAL   HG21   .   18007   1    
     452   .   1   1   41   41   VAL   HG22   H   1    0.746     0.004   .   2   .   388   .   .   124    VAL   HG22   .   18007   1    
     453   .   1   1   41   41   VAL   HG23   H   1    0.746     0.004   .   2   .   388   .   .   124    VAL   HG23   .   18007   1    
     454   .   1   1   41   41   VAL   CG1    C   13   21.441    0.078   .   2   .   389   .   .   124    VAL   CG1    .   18007   1    
     455   .   1   1   41   41   VAL   CG2    C   13   21.614    0.018   .   2   .   390   .   .   124    VAL   CG2    .   18007   1    
     456   .   1   1   42   42   VAL   N      N   15   119.332   0.131   .   1   .   391   .   .   125    VAL   N      .   18007   1    
     457   .   1   1   42   42   VAL   H      H   1    8.655     0.008   .   1   .   392   .   .   125    VAL   H      .   18007   1    
     458   .   1   1   42   42   VAL   CA     C   13   57.809    0.079   .   1   .   393   .   .   125    VAL   CA     .   18007   1    
     459   .   1   1   42   42   VAL   HA     H   1    5.019     0.020   .   1   .   394   .   .   125    VAL   HA     .   18007   1    
     460   .   1   1   42   42   VAL   CB     C   13   33.812    0.304   .   1   .   395   .   .   125    VAL   CB     .   18007   1    
     461   .   1   1   42   42   VAL   HB     H   1    1.383     0.020   .   1   .   396   .   .   125    VAL   HB     .   18007   1    
     462   .   1   1   42   42   VAL   HG11   H   1    0.443     0.002   .   2   .   397   .   .   125    VAL   HG11   .   18007   1    
     463   .   1   1   42   42   VAL   HG12   H   1    0.443     0.002   .   2   .   397   .   .   125    VAL   HG12   .   18007   1    
     464   .   1   1   42   42   VAL   HG13   H   1    0.443     0.002   .   2   .   397   .   .   125    VAL   HG13   .   18007   1    
     465   .   1   1   42   42   VAL   HG21   H   1    0.256     0.002   .   2   .   398   .   .   125    VAL   HG21   .   18007   1    
     466   .   1   1   42   42   VAL   HG22   H   1    0.256     0.002   .   2   .   398   .   .   125    VAL   HG22   .   18007   1    
     467   .   1   1   42   42   VAL   HG23   H   1    0.256     0.002   .   2   .   398   .   .   125    VAL   HG23   .   18007   1    
     468   .   1   1   42   42   VAL   CG1    C   13   22.903    0.035   .   2   .   399   .   .   125    VAL   CG1    .   18007   1    
     469   .   1   1   42   42   VAL   CG2    C   13   17.548    0.038   .   2   .   400   .   .   125    VAL   CG2    .   18007   1    
     470   .   1   1   43   43   VAL   N      N   15   118.603   0.004   .   1   .   401   .   .   126    VAL   N      .   18007   1    
     471   .   1   1   43   43   VAL   H      H   1    8.432     0.007   .   1   .   402   .   .   126    VAL   H      .   18007   1    
     472   .   1   1   43   43   VAL   CA     C   13   59.523    0.149   .   1   .   403   .   .   126    VAL   CA     .   18007   1    
     473   .   1   1   43   43   VAL   HA     H   1    4.532     0.003   .   1   .   404   .   .   126    VAL   HA     .   18007   1    
     474   .   1   1   43   43   VAL   CB     C   13   33.705    0.036   .   1   .   405   .   .   126    VAL   CB     .   18007   1    
     475   .   1   1   43   43   VAL   HB     H   1    1.680     0.004   .   1   .   406   .   .   126    VAL   HB     .   18007   1    
     476   .   1   1   43   43   VAL   HG11   H   1    0.671     0.020   .   2   .   407   .   .   126    VAL   HG11   .   18007   1    
     477   .   1   1   43   43   VAL   HG12   H   1    0.671     0.020   .   2   .   407   .   .   126    VAL   HG12   .   18007   1    
     478   .   1   1   43   43   VAL   HG13   H   1    0.671     0.020   .   2   .   407   .   .   126    VAL   HG13   .   18007   1    
     479   .   1   1   43   43   VAL   HG21   H   1    0.707     0.002   .   2   .   408   .   .   126    VAL   HG21   .   18007   1    
     480   .   1   1   43   43   VAL   HG22   H   1    0.707     0.002   .   2   .   408   .   .   126    VAL   HG22   .   18007   1    
     481   .   1   1   43   43   VAL   HG23   H   1    0.707     0.002   .   2   .   408   .   .   126    VAL   HG23   .   18007   1    
     482   .   1   1   43   43   VAL   CG1    C   13   20.341    0.200   .   2   .   409   .   .   126    VAL   CG1    .   18007   1    
     483   .   1   1   43   43   VAL   CG2    C   13   21.210    0.065   .   2   .   410   .   .   126    VAL   CG2    .   18007   1    
     484   .   1   1   44   44   TYR   N      N   15   127.865   0.031   .   1   .   411   .   .   127    TYR   N      .   18007   1    
     485   .   1   1   44   44   TYR   H      H   1    8.389     0.004   .   1   .   412   .   .   127    TYR   H      .   18007   1    
     486   .   1   1   44   44   TYR   CA     C   13   60.321    0.034   .   1   .   413   .   .   127    TYR   CA     .   18007   1    
     487   .   1   1   44   44   TYR   HA     H   1    4.441     0.004   .   1   .   414   .   .   127    TYR   HA     .   18007   1    
     488   .   1   1   44   44   TYR   CB     C   13   38.012    0.052   .   1   .   415   .   .   127    TYR   CB     .   18007   1    
     489   .   1   1   44   44   TYR   HB2    H   1    2.622     0.020   .   2   .   416   .   .   127    TYR   HB2    .   18007   1    
     490   .   1   1   44   44   TYR   HB3    H   1    2.977     0.020   .   2   .   417   .   .   127    TYR   HB3    .   18007   1    
     491   .   1   1   44   44   TYR   HD1    H   1    6.790     0.012   .   3   .   418   .   .   127    TYR   HD1    .   18007   1    
     492   .   1   1   44   44   TYR   HD2    H   1    6.790     0.012   .   3   .   418   .   .   127    TYR   HD2    .   18007   1    
     493   .   1   1   44   44   TYR   HE1    H   1    6.582     0.008   .   3   .   419   .   .   127    TYR   HE1    .   18007   1    
     494   .   1   1   44   44   TYR   HE2    H   1    6.582     0.008   .   3   .   419   .   .   127    TYR   HE2    .   18007   1    
     495   .   1   1   44   44   TYR   CD1    C   13   132.715   0.040   .   3   .   420   .   .   127    TYR   CD1    .   18007   1    
     496   .   1   1   44   44   TYR   CD2    C   13   132.715   0.040   .   3   .   420   .   .   127    TYR   CD2    .   18007   1    
     497   .   1   1   44   44   TYR   CE1    C   13   117.705   0.138   .   3   .   421   .   .   127    TYR   CE1    .   18007   1    
     498   .   1   1   44   44   TYR   CE2    C   13   117.705   0.138   .   3   .   421   .   .   127    TYR   CE2    .   18007   1    
     499   .   1   1   44   44   TYR   HH     H   1    9.549     0.008   .   1   .   422   .   .   127    TYR   HH     .   18007   1    
     500   .   1   1   45   45   THR   N      N   15   125.838   0.004   .   1   .   423   .   .   128    THR   N      .   18007   1    
     501   .   1   1   45   45   THR   H      H   1    8.683     0.010   .   1   .   424   .   .   128    THR   H      .   18007   1    
     502   .   1   1   45   45   THR   CA     C   13   64.779    0.020   .   1   .   425   .   .   128    THR   CA     .   18007   1    
     503   .   1   1   45   45   THR   HA     H   1    3.870     0.020   .   1   .   426   .   .   128    THR   HA     .   18007   1    
     504   .   1   1   45   45   THR   CB     C   13   69.007    0.009   .   1   .   427   .   .   128    THR   CB     .   18007   1    
     505   .   1   1   45   45   THR   HB     H   1    3.873     0.020   .   1   .   428   .   .   128    THR   HB     .   18007   1    
     506   .   1   1   45   45   THR   HG21   H   1    1.228     0.020   .   1   .   429   .   .   128    THR   HG21   .   18007   1    
     507   .   1   1   45   45   THR   HG22   H   1    1.228     0.020   .   1   .   429   .   .   128    THR   HG22   .   18007   1    
     508   .   1   1   45   45   THR   HG23   H   1    1.228     0.020   .   1   .   429   .   .   128    THR   HG23   .   18007   1    
     509   .   1   1   45   45   THR   CG2    C   13   22.479    0.018   .   1   .   430   .   .   128    THR   CG2    .   18007   1    
     510   .   1   1   46   46   GLY   CA     C   13   45.832    0.102   .   1   .   431   .   .   129    GLY   CA     .   18007   1    
     511   .   1   1   46   46   GLY   HA2    H   1    3.349     0.020   .   2   .   432   .   .   129    GLY   HA2    .   18007   1    
     512   .   1   1   46   46   GLY   HA3    H   1    4.009     0.020   .   2   .   433   .   .   129    GLY   HA3    .   18007   1    
     513   .   1   1   47   47   TYR   N      N   15   118.957   0.032   .   1   .   434   .   .   130    TYR   N      .   18007   1    
     514   .   1   1   47   47   TYR   H      H   1    7.439     0.005   .   1   .   435   .   .   130    TYR   H      .   18007   1    
     515   .   1   1   47   47   TYR   CA     C   13   59.883    0.032   .   1   .   436   .   .   130    TYR   CA     .   18007   1    
     516   .   1   1   47   47   TYR   HA     H   1    4.248     0.009   .   1   .   437   .   .   130    TYR   HA     .   18007   1    
     517   .   1   1   47   47   TYR   CB     C   13   41.212    0.103   .   1   .   438   .   .   130    TYR   CB     .   18007   1    
     518   .   1   1   47   47   TYR   HB2    H   1    2.303     0.001   .   2   .   439   .   .   130    TYR   HB2    .   18007   1    
     519   .   1   1   47   47   TYR   HB3    H   1    3.042     0.001   .   2   .   440   .   .   130    TYR   HB3    .   18007   1    
     520   .   1   1   47   47   TYR   HD1    H   1    6.793     0.020   .   3   .   441   .   .   130    TYR   HD1    .   18007   1    
     521   .   1   1   47   47   TYR   HD2    H   1    6.793     0.020   .   3   .   441   .   .   130    TYR   HD2    .   18007   1    
     522   .   1   1   47   47   TYR   HE1    H   1    6.705     0.007   .   3   .   442   .   .   130    TYR   HE1    .   18007   1    
     523   .   1   1   47   47   TYR   HE2    H   1    6.705     0.007   .   3   .   442   .   .   130    TYR   HE2    .   18007   1    
     524   .   1   1   47   47   TYR   CD1    C   13   132.723   0.163   .   3   .   443   .   .   130    TYR   CD1    .   18007   1    
     525   .   1   1   47   47   TYR   CD2    C   13   132.723   0.163   .   3   .   443   .   .   130    TYR   CD2    .   18007   1    
     526   .   1   1   47   47   TYR   CE1    C   13   118.407   0.178   .   3   .   444   .   .   130    TYR   CE1    .   18007   1    
     527   .   1   1   47   47   TYR   CE2    C   13   118.407   0.178   .   3   .   444   .   .   130    TYR   CE2    .   18007   1    
     528   .   1   1   48   48   GLY   N      N   15   103.996   0.049   .   1   .   445   .   .   131    GLY   N      .   18007   1    
     529   .   1   1   48   48   GLY   H      H   1    8.421     0.011   .   1   .   446   .   .   131    GLY   H      .   18007   1    
     530   .   1   1   48   48   GLY   CA     C   13   45.725    0.026   .   1   .   447   .   .   131    GLY   CA     .   18007   1    
     531   .   1   1   48   48   GLY   HA2    H   1    3.578     0.020   .   2   .   448   .   .   131    GLY   HA2    .   18007   1    
     532   .   1   1   48   48   GLY   HA3    H   1    4.117     0.020   .   2   .   449   .   .   131    GLY   HA3    .   18007   1    
     533   .   1   1   49   49   ASN   N      N   15   115.998   0.053   .   1   .   450   .   .   132    ASN   N      .   18007   1    
     534   .   1   1   49   49   ASN   H      H   1    8.117     0.002   .   1   .   451   .   .   132    ASN   H      .   18007   1    
     535   .   1   1   49   49   ASN   CA     C   13   53.319    0.200   .   1   .   452   .   .   132    ASN   CA     .   18007   1    
     536   .   1   1   49   49   ASN   HA     H   1    4.724     0.002   .   1   .   453   .   .   132    ASN   HA     .   18007   1    
     537   .   1   1   49   49   ASN   CB     C   13   38.030    0.095   .   1   .   454   .   .   132    ASN   CB     .   18007   1    
     538   .   1   1   49   49   ASN   HB2    H   1    2.707     0.005   .   2   .   455   .   .   132    ASN   HB2    .   18007   1    
     539   .   1   1   49   49   ASN   HB3    H   1    2.742     0.008   .   2   .   456   .   .   132    ASN   HB3    .   18007   1    
     540   .   1   1   49   49   ASN   ND2    N   15   114.300   0.100   .   1   .   457   .   .   132    ASN   ND2    .   18007   1    
     541   .   1   1   49   49   ASN   HD21   H   1    8.229     0.020   .   1   .   458   .   .   132    ASN   HD21   .   18007   1    
     542   .   1   1   49   49   ASN   HD22   H   1    4.984     0.003   .   1   .   459   .   .   132    ASN   HD22   .   18007   1    
     543   .   1   1   50   50   ARG   N      N   15   118.258   0.023   .   1   .   460   .   .   133    ARG   N      .   18007   1    
     544   .   1   1   50   50   ARG   H      H   1    8.575     0.015   .   1   .   461   .   .   133    ARG   H      .   18007   1    
     545   .   1   1   50   50   ARG   CA     C   13   54.040    0.027   .   1   .   462   .   .   133    ARG   CA     .   18007   1    
     546   .   1   1   50   50   ARG   HA     H   1    5.792     0.010   .   1   .   463   .   .   133    ARG   HA     .   18007   1    
     547   .   1   1   50   50   ARG   CB     C   13   34.102    0.005   .   1   .   464   .   .   133    ARG   CB     .   18007   1    
     548   .   1   1   50   50   ARG   HB2    H   1    1.575     0.004   .   1   .   465   .   .   133    ARG   HB2    .   18007   1    
     549   .   1   1   50   50   ARG   CG     C   13   27.143    0.039   .   1   .   466   .   .   133    ARG   CG     .   18007   1    
     550   .   1   1   50   50   ARG   HG2    H   1    1.485     0.002   .   2   .   467   .   .   133    ARG   HG2    .   18007   1    
     551   .   1   1   50   50   ARG   HG3    H   1    1.570     0.020   .   2   .   468   .   .   133    ARG   HG3    .   18007   1    
     552   .   1   1   50   50   ARG   CD     C   13   43.793    0.116   .   1   .   469   .   .   133    ARG   CD     .   18007   1    
     553   .   1   1   50   50   ARG   HD2    H   1    2.957     0.003   .   2   .   470   .   .   133    ARG   HD2    .   18007   1    
     554   .   1   1   50   50   ARG   HD3    H   1    3.143     0.003   .   2   .   471   .   .   133    ARG   HD3    .   18007   1    
     555   .   1   1   50   50   ARG   HB3    H   1    1.575     0.004   .   1   .   629   .   .   133    ARG   HB3    .   18007   1    
     556   .   1   1   51   51   GLU   N      N   15   119.364   0.105   .   1   .   472   .   .   134    GLU   N      .   18007   1    
     557   .   1   1   51   51   GLU   H      H   1    8.563     0.004   .   1   .   473   .   .   134    GLU   H      .   18007   1    
     558   .   1   1   51   51   GLU   CA     C   13   55.690    0.038   .   1   .   474   .   .   134    GLU   CA     .   18007   1    
     559   .   1   1   51   51   GLU   HA     H   1    4.700     0.017   .   1   .   475   .   .   134    GLU   HA     .   18007   1    
     560   .   1   1   51   51   GLU   CB     C   13   34.509    0.012   .   1   .   476   .   .   134    GLU   CB     .   18007   1    
     561   .   1   1   51   51   GLU   HB2    H   1    2.274     0.028   .   1   .   477   .   .   134    GLU   HB2    .   18007   1    
     562   .   1   1   51   51   GLU   CG     C   13   35.752    0.075   .   1   .   478   .   .   134    GLU   CG     .   18007   1    
     563   .   1   1   51   51   GLU   HG2    H   1    2.424     0.020   .   2   .   479   .   .   134    GLU   HG2    .   18007   1    
     564   .   1   1   51   51   GLU   HG3    H   1    2.483     0.020   .   2   .   480   .   .   134    GLU   HG3    .   18007   1    
     565   .   1   1   51   51   GLU   HB3    H   1    2.274     0.028   .   1   .   630   .   .   134    GLU   HB3    .   18007   1    
     566   .   1   1   52   52   GLU   N      N   15   124.656   0.015   .   1   .   481   .   .   135    GLU   N      .   18007   1    
     567   .   1   1   52   52   GLU   H      H   1    8.717     0.016   .   1   .   482   .   .   135    GLU   H      .   18007   1    
     568   .   1   1   52   52   GLU   CA     C   13   55.807    0.024   .   1   .   483   .   .   135    GLU   CA     .   18007   1    
     569   .   1   1   52   52   GLU   HA     H   1    5.278     0.002   .   1   .   484   .   .   135    GLU   HA     .   18007   1    
     570   .   1   1   52   52   GLU   CB     C   13   31.160    0.022   .   1   .   485   .   .   135    GLU   CB     .   18007   1    
     571   .   1   1   52   52   GLU   HB2    H   1    1.899     0.003   .   2   .   486   .   .   135    GLU   HB2    .   18007   1    
     572   .   1   1   52   52   GLU   HB3    H   1    1.964     0.001   .   2   .   487   .   .   135    GLU   HB3    .   18007   1    
     573   .   1   1   52   52   GLU   CG     C   13   37.594    0.064   .   1   .   488   .   .   135    GLU   CG     .   18007   1    
     574   .   1   1   52   52   GLU   HG2    H   1    2.078     0.005   .   2   .   489   .   .   135    GLU   HG2    .   18007   1    
     575   .   1   1   52   52   GLU   HG3    H   1    2.273     0.003   .   2   .   490   .   .   135    GLU   HG3    .   18007   1    
     576   .   1   1   53   53   GLN   N      N   15   123.072   0.011   .   1   .   491   .   .   136    GLN   N      .   18007   1    
     577   .   1   1   53   53   GLN   H      H   1    9.108     0.016   .   1   .   492   .   .   136    GLN   H      .   18007   1    
     578   .   1   1   53   53   GLN   CA     C   13   53.830    0.088   .   1   .   493   .   .   136    GLN   CA     .   18007   1    
     579   .   1   1   53   53   GLN   HA     H   1    4.549     0.010   .   1   .   494   .   .   136    GLN   HA     .   18007   1    
     580   .   1   1   53   53   GLN   CB     C   13   32.012    0.205   .   1   .   495   .   .   136    GLN   CB     .   18007   1    
     581   .   1   1   53   53   GLN   HB2    H   1    1.238     0.012   .   2   .   496   .   .   136    GLN   HB2    .   18007   1    
     582   .   1   1   53   53   GLN   HB3    H   1    2.205     0.009   .   2   .   497   .   .   136    GLN   HB3    .   18007   1    
     583   .   1   1   53   53   GLN   CG     C   13   32.748    0.080   .   1   .   498   .   .   136    GLN   CG     .   18007   1    
     584   .   1   1   53   53   GLN   HG2    H   1    1.901     0.008   .   2   .   499   .   .   136    GLN   HG2    .   18007   1    
     585   .   1   1   53   53   GLN   HG3    H   1    2.178     0.020   .   2   .   500   .   .   136    GLN   HG3    .   18007   1    
     586   .   1   1   53   53   GLN   NE2    N   15   112.050   0.046   .   1   .   501   .   .   136    GLN   NE2    .   18007   1    
     587   .   1   1   53   53   GLN   HE21   H   1    7.111     0.002   .   1   .   502   .   .   136    GLN   HE21   .   18007   1    
     588   .   1   1   53   53   GLN   HE22   H   1    6.383     0.001   .   1   .   503   .   .   136    GLN   HE22   .   18007   1    
     589   .   1   1   54   54   ASN   N      N   15   119.618   0.023   .   1   .   504   .   .   137    ASN   N      .   18007   1    
     590   .   1   1   54   54   ASN   H      H   1    9.150     0.015   .   1   .   505   .   .   137    ASN   H      .   18007   1    
     591   .   1   1   54   54   ASN   CA     C   13   53.876    0.064   .   1   .   506   .   .   137    ASN   CA     .   18007   1    
     592   .   1   1   54   54   ASN   HA     H   1    4.839     0.006   .   1   .   507   .   .   137    ASN   HA     .   18007   1    
     593   .   1   1   54   54   ASN   CB     C   13   38.004    0.046   .   1   .   508   .   .   137    ASN   CB     .   18007   1    
     594   .   1   1   54   54   ASN   HB2    H   1    2.609     0.011   .   2   .   509   .   .   137    ASN   HB2    .   18007   1    
     595   .   1   1   54   54   ASN   HB3    H   1    2.996     0.020   .   2   .   510   .   .   137    ASN   HB3    .   18007   1    
     596   .   1   1   54   54   ASN   ND2    N   15   114.615   0.062   .   1   .   511   .   .   137    ASN   ND2    .   18007   1    
     597   .   1   1   54   54   ASN   HD21   H   1    7.508     0.008   .   1   .   512   .   .   137    ASN   HD21   .   18007   1    
     598   .   1   1   54   54   ASN   HD22   H   1    6.974     0.011   .   1   .   513   .   .   137    ASN   HD22   .   18007   1    
     599   .   1   1   55   55   LEU   N      N   15   125.425   0.048   .   1   .   514   .   .   138    LEU   N      .   18007   1    
     600   .   1   1   55   55   LEU   H      H   1    8.412     0.003   .   1   .   515   .   .   138    LEU   H      .   18007   1    
     601   .   1   1   55   55   LEU   CA     C   13   58.354    0.030   .   1   .   516   .   .   138    LEU   CA     .   18007   1    
     602   .   1   1   55   55   LEU   HA     H   1    3.700     0.006   .   1   .   517   .   .   138    LEU   HA     .   18007   1    
     603   .   1   1   55   55   LEU   CB     C   13   42.391    0.040   .   1   .   518   .   .   138    LEU   CB     .   18007   1    
     604   .   1   1   55   55   LEU   HB2    H   1    1.506     0.026   .   2   .   519   .   .   138    LEU   HB2    .   18007   1    
     605   .   1   1   55   55   LEU   HB3    H   1    1.671     0.001   .   2   .   520   .   .   138    LEU   HB3    .   18007   1    
     606   .   1   1   55   55   LEU   CG     C   13   27.654    0.090   .   1   .   521   .   .   138    LEU   CG     .   18007   1    
     607   .   1   1   55   55   LEU   HG     H   1    1.066     0.011   .   1   .   522   .   .   138    LEU   HG     .   18007   1    
     608   .   1   1   55   55   LEU   HD11   H   1    0.778     0.007   .   2   .   523   .   .   138    LEU   HD11   .   18007   1    
     609   .   1   1   55   55   LEU   HD12   H   1    0.778     0.007   .   2   .   523   .   .   138    LEU   HD12   .   18007   1    
     610   .   1   1   55   55   LEU   HD13   H   1    0.778     0.007   .   2   .   523   .   .   138    LEU   HD13   .   18007   1    
     611   .   1   1   55   55   LEU   HD21   H   1    0.659     0.012   .   2   .   524   .   .   138    LEU   HD21   .   18007   1    
     612   .   1   1   55   55   LEU   HD22   H   1    0.659     0.012   .   2   .   524   .   .   138    LEU   HD22   .   18007   1    
     613   .   1   1   55   55   LEU   HD23   H   1    0.659     0.012   .   2   .   524   .   .   138    LEU   HD23   .   18007   1    
     614   .   1   1   55   55   LEU   CD1    C   13   25.539    0.032   .   2   .   525   .   .   138    LEU   CD1    .   18007   1    
     615   .   1   1   55   55   LEU   CD2    C   13   22.226    0.125   .   2   .   526   .   .   138    LEU   CD2    .   18007   1    
     616   .   1   1   56   56   SER   N      N   15   110.955   0.007   .   1   .   527   .   .   139    SER   N      .   18007   1    
     617   .   1   1   56   56   SER   H      H   1    8.770     0.016   .   1   .   528   .   .   139    SER   H      .   18007   1    
     618   .   1   1   56   56   SER   CA     C   13   60.421    0.025   .   1   .   529   .   .   139    SER   CA     .   18007   1    
     619   .   1   1   56   56   SER   HA     H   1    4.184     0.006   .   1   .   530   .   .   139    SER   HA     .   18007   1    
     620   .   1   1   56   56   SER   CB     C   13   63.152    0.080   .   1   .   531   .   .   139    SER   CB     .   18007   1    
     621   .   1   1   56   56   SER   HB2    H   1    3.849     0.001   .   2   .   532   .   .   139    SER   HB2    .   18007   1    
     622   .   1   1   56   56   SER   HB3    H   1    4.066     0.020   .   2   .   533   .   .   139    SER   HB3    .   18007   1    
     623   .   1   1   57   57   ASP   N      N   15   119.775   0.003   .   1   .   534   .   .   140    ASP   N      .   18007   1    
     624   .   1   1   57   57   ASP   H      H   1    7.576     0.016   .   1   .   535   .   .   140    ASP   H      .   18007   1    
     625   .   1   1   57   57   ASP   CA     C   13   54.751    0.117   .   1   .   536   .   .   140    ASP   CA     .   18007   1    
     626   .   1   1   57   57   ASP   HA     H   1    4.867     0.004   .   1   .   537   .   .   140    ASP   HA     .   18007   1    
     627   .   1   1   57   57   ASP   CB     C   13   41.677    0.178   .   1   .   538   .   .   140    ASP   CB     .   18007   1    
     628   .   1   1   57   57   ASP   HB2    H   1    2.836     0.020   .   2   .   539   .   .   140    ASP   HB2    .   18007   1    
     629   .   1   1   57   57   ASP   HB3    H   1    2.985     0.020   .   2   .   540   .   .   140    ASP   HB3    .   18007   1    
     630   .   1   1   58   58   LEU   N      N   15   120.614   0.005   .   1   .   541   .   .   141    LEU   N      .   18007   1    
     631   .   1   1   58   58   LEU   H      H   1    7.085     0.019   .   1   .   542   .   .   141    LEU   H      .   18007   1    
     632   .   1   1   58   58   LEU   CA     C   13   55.548    0.039   .   1   .   543   .   .   141    LEU   CA     .   18007   1    
     633   .   1   1   58   58   LEU   HA     H   1    4.132     0.007   .   1   .   544   .   .   141    LEU   HA     .   18007   1    
     634   .   1   1   58   58   LEU   CB     C   13   42.770    0.062   .   1   .   545   .   .   141    LEU   CB     .   18007   1    
     635   .   1   1   58   58   LEU   HB2    H   1    0.667     0.020   .   2   .   546   .   .   141    LEU   HB2    .   18007   1    
     636   .   1   1   58   58   LEU   HB3    H   1    1.560     0.003   .   2   .   547   .   .   141    LEU   HB3    .   18007   1    
     637   .   1   1   58   58   LEU   CG     C   13   26.102    0.057   .   1   .   548   .   .   141    LEU   CG     .   18007   1    
     638   .   1   1   58   58   LEU   HG     H   1    1.429     0.018   .   1   .   549   .   .   141    LEU   HG     .   18007   1    
     639   .   1   1   58   58   LEU   HD11   H   1    -0.246    0.004   .   2   .   550   .   .   141    LEU   HD11   .   18007   1    
     640   .   1   1   58   58   LEU   HD12   H   1    -0.246    0.004   .   2   .   550   .   .   141    LEU   HD12   .   18007   1    
     641   .   1   1   58   58   LEU   HD13   H   1    -0.246    0.004   .   2   .   550   .   .   141    LEU   HD13   .   18007   1    
     642   .   1   1   58   58   LEU   HD21   H   1    0.260     0.003   .   2   .   551   .   .   141    LEU   HD21   .   18007   1    
     643   .   1   1   58   58   LEU   HD22   H   1    0.260     0.003   .   2   .   551   .   .   141    LEU   HD22   .   18007   1    
     644   .   1   1   58   58   LEU   HD23   H   1    0.260     0.003   .   2   .   551   .   .   141    LEU   HD23   .   18007   1    
     645   .   1   1   58   58   LEU   CD1    C   13   24.449    0.044   .   2   .   552   .   .   141    LEU   CD1    .   18007   1    
     646   .   1   1   58   58   LEU   CD2    C   13   21.738    0.006   .   2   .   553   .   .   141    LEU   CD2    .   18007   1    
     647   .   1   1   59   59   LEU   N      N   15   121.612   0.002   .   1   .   554   .   .   142    LEU   N      .   18007   1    
     648   .   1   1   59   59   LEU   H      H   1    8.369     0.011   .   1   .   555   .   .   142    LEU   H      .   18007   1    
     649   .   1   1   59   59   LEU   CA     C   13   53.355    0.063   .   1   .   556   .   .   142    LEU   CA     .   18007   1    
     650   .   1   1   59   59   LEU   HA     H   1    4.943     0.005   .   1   .   557   .   .   142    LEU   HA     .   18007   1    
     651   .   1   1   59   59   LEU   CB     C   13   44.321    0.023   .   1   .   558   .   .   142    LEU   CB     .   18007   1    
     652   .   1   1   59   59   LEU   HB2    H   1    1.635     0.020   .   1   .   559   .   .   142    LEU   HB2    .   18007   1    
     653   .   1   1   59   59   LEU   CG     C   13   27.538    0.134   .   1   .   560   .   .   142    LEU   CG     .   18007   1    
     654   .   1   1   59   59   LEU   HG     H   1    1.632     0.009   .   1   .   561   .   .   142    LEU   HG     .   18007   1    
     655   .   1   1   59   59   LEU   HD11   H   1    0.856     0.020   .   2   .   562   .   .   142    LEU   HD11   .   18007   1    
     656   .   1   1   59   59   LEU   HD12   H   1    0.856     0.020   .   2   .   562   .   .   142    LEU   HD12   .   18007   1    
     657   .   1   1   59   59   LEU   HD13   H   1    0.856     0.020   .   2   .   562   .   .   142    LEU   HD13   .   18007   1    
     658   .   1   1   59   59   LEU   HD21   H   1    0.906     0.008   .   2   .   563   .   .   142    LEU   HD21   .   18007   1    
     659   .   1   1   59   59   LEU   HD22   H   1    0.906     0.008   .   2   .   563   .   .   142    LEU   HD22   .   18007   1    
     660   .   1   1   59   59   LEU   HD23   H   1    0.906     0.008   .   2   .   563   .   .   142    LEU   HD23   .   18007   1    
     661   .   1   1   59   59   LEU   CD1    C   13   25.769    0.020   .   2   .   564   .   .   142    LEU   CD1    .   18007   1    
     662   .   1   1   59   59   LEU   CD2    C   13   24.062    0.114   .   2   .   565   .   .   142    LEU   CD2    .   18007   1    
     663   .   1   1   59   59   LEU   HB3    H   1    1.635     0.020   .   1   .   631   .   .   142    LEU   HB3    .   18007   1    
     664   .   1   1   60   60   SER   N      N   15   115.901   0.039   .   1   .   566   .   .   143    SER   N      .   18007   1    
     665   .   1   1   60   60   SER   H      H   1    8.491     0.020   .   1   .   567   .   .   143    SER   H      .   18007   1    
     666   .   1   1   60   60   SER   CA     C   13   58.141    0.200   .   1   .   568   .   .   143    SER   CA     .   18007   1    
     667   .   1   1   60   60   SER   HA     H   1    4.765     0.008   .   1   .   569   .   .   143    SER   HA     .   18007   1    
     668   .   1   1   60   60   SER   CB     C   13   62.654    0.032   .   1   .   570   .   .   143    SER   CB     .   18007   1    
     669   .   1   1   60   60   SER   HB2    H   1    3.868     0.020   .   2   .   571   .   .   143    SER   HB2    .   18007   1    
     670   .   1   1   60   60   SER   HB3    H   1    3.991     0.010   .   2   .   572   .   .   143    SER   HB3    .   18007   1    
     671   .   1   1   61   61   PRO   CD     C   13   50.794    0.043   .   1   .   573   .   .   144    PRO   CD     .   18007   1    
     672   .   1   1   61   61   PRO   CA     C   13   63.230    0.021   .   1   .   574   .   .   144    PRO   CA     .   18007   1    
     673   .   1   1   61   61   PRO   HA     H   1    4.374     0.011   .   1   .   575   .   .   144    PRO   HA     .   18007   1    
     674   .   1   1   61   61   PRO   CB     C   13   32.170    0.009   .   1   .   576   .   .   144    PRO   CB     .   18007   1    
     675   .   1   1   61   61   PRO   HB2    H   1    1.989     0.018   .   1   .   577   .   .   144    PRO   HB2    .   18007   1    
     676   .   1   1   61   61   PRO   CG     C   13   27.535    0.043   .   1   .   578   .   .   144    PRO   CG     .   18007   1    
     677   .   1   1   61   61   PRO   HG2    H   1    1.930     0.002   .   2   .   579   .   .   144    PRO   HG2    .   18007   1    
     678   .   1   1   61   61   PRO   HG3    H   1    2.030     0.020   .   2   .   580   .   .   144    PRO   HG3    .   18007   1    
     679   .   1   1   61   61   PRO   HD2    H   1    3.979     0.015   .   1   .   581   .   .   144    PRO   HD2    .   18007   1    
     680   .   1   1   61   61   PRO   HB3    H   1    1.989     0.018   .   1   .   632   .   .   144    PRO   HB3    .   18007   1    
     681   .   1   1   61   61   PRO   HD3    H   1    3.979     0.015   .   1   .   633   .   .   144    PRO   HD3    .   18007   1    
     682   .   1   1   62   62   ILE   N      N   15   121.494   0.009   .   1   .   582   .   .   145    ILE   N      .   18007   1    
     683   .   1   1   62   62   ILE   H      H   1    8.302     0.017   .   1   .   583   .   .   145    ILE   H      .   18007   1    
     684   .   1   1   62   62   ILE   CA     C   13   61.414    0.114   .   1   .   584   .   .   145    ILE   CA     .   18007   1    
     685   .   1   1   62   62   ILE   HA     H   1    4.098     0.003   .   1   .   585   .   .   145    ILE   HA     .   18007   1    
     686   .   1   1   62   62   ILE   CB     C   13   38.695    0.047   .   1   .   586   .   .   145    ILE   CB     .   18007   1    
     687   .   1   1   62   62   ILE   HB     H   1    1.808     0.011   .   1   .   587   .   .   145    ILE   HB     .   18007   1    
     688   .   1   1   62   62   ILE   HG21   H   1    0.882     0.020   .   1   .   588   .   .   145    ILE   HG21   .   18007   1    
     689   .   1   1   62   62   ILE   HG22   H   1    0.882     0.020   .   1   .   588   .   .   145    ILE   HG22   .   18007   1    
     690   .   1   1   62   62   ILE   HG23   H   1    0.882     0.020   .   1   .   588   .   .   145    ILE   HG23   .   18007   1    
     691   .   1   1   62   62   ILE   CG2    C   13   17.631    0.033   .   1   .   589   .   .   145    ILE   CG2    .   18007   1    
     692   .   1   1   62   62   ILE   CG1    C   13   27.392    0.028   .   1   .   590   .   .   145    ILE   CG1    .   18007   1    
     693   .   1   1   62   62   ILE   HG12   H   1    1.151     0.009   .   2   .   591   .   .   145    ILE   HG12   .   18007   1    
     694   .   1   1   62   62   ILE   HG13   H   1    1.474     0.017   .   2   .   592   .   .   145    ILE   HG13   .   18007   1    
     695   .   1   1   62   62   ILE   HD11   H   1    0.815     0.005   .   1   .   593   .   .   145    ILE   HD11   .   18007   1    
     696   .   1   1   62   62   ILE   HD12   H   1    0.815     0.005   .   1   .   593   .   .   145    ILE   HD12   .   18007   1    
     697   .   1   1   62   62   ILE   HD13   H   1    0.815     0.005   .   1   .   593   .   .   145    ILE   HD13   .   18007   1    
     698   .   1   1   62   62   ILE   CD1    C   13   13.184    0.127   .   1   .   594   .   .   145    ILE   CD1    .   18007   1    
     699   .   1   1   63   63   CYS   N      N   15   124.184   0.097   .   1   .   595   .   .   146    CYS   N      .   18007   1    
     700   .   1   1   63   63   CYS   H      H   1    8.395     0.006   .   1   .   596   .   .   146    CYS   H      .   18007   1    
     701   .   1   1   63   63   CYS   CA     C   13   58.461    0.054   .   1   .   597   .   .   146    CYS   CA     .   18007   1    
     702   .   1   1   63   63   CYS   HA     H   1    4.514     0.006   .   1   .   598   .   .   146    CYS   HA     .   18007   1    
     703   .   1   1   63   63   CYS   CB     C   13   28.395    0.061   .   1   .   599   .   .   146    CYS   CB     .   18007   1    
     704   .   1   1   63   63   CYS   HB2    H   1    2.860     0.020   .   2   .   600   .   .   146    CYS   HB2    .   18007   1    
     705   .   1   1   63   63   CYS   HB3    H   1    2.937     0.020   .   2   .   601   .   .   146    CYS   HB3    .   18007   1    
     706   .   1   1   64   64   GLU   N      N   15   128.613   0.016   .   1   .   602   .   .   147    GLU   N      .   18007   1    
     707   .   1   1   64   64   GLU   H      H   1    8.076     0.005   .   1   .   603   .   .   147    GLU   H      .   18007   1    
     708   .   1   1   64   64   GLU   CA     C   13   58.169    0.028   .   1   .   604   .   .   147    GLU   CA     .   18007   1    
     709   .   1   1   64   64   GLU   HA     H   1    4.103     0.020   .   1   .   605   .   .   147    GLU   HA     .   18007   1    
     710   .   1   1   64   64   GLU   CB     C   13   31.307    0.083   .   1   .   606   .   .   147    GLU   CB     .   18007   1    
     711   .   1   1   64   64   GLU   HB2    H   1    1.851     0.020   .   1   .   607   .   .   147    GLU   HB2    .   18007   1    
     712   .   1   1   64   64   GLU   CG     C   13   36.800    0.200   .   1   .   608   .   .   147    GLU   CG     .   18007   1    
     713   .   1   1   64   64   GLU   HG2    H   1    2.160     0.007   .   1   .   609   .   .   147    GLU   HG2    .   18007   1    
     714   .   1   1   64   64   GLU   HB3    H   1    1.851     0.020   .   1   .   634   .   .   147    GLU   HB3    .   18007   1    
     715   .   1   1   64   64   GLU   HG3    H   1    2.160     0.007   .   1   .   635   .   .   147    GLU   HG3    .   18007   1    
     716   .   2   2   1    1    DA2   HA     H   1    3.743     0.020   .   1   .   610   .   .   1148   DA2   HCA    .   18007   1    
     717   .   2   2   1    1    DA2   HB2    H   1    1.863     0.004   .   1   .   611   .   .   1148   DA2   HCB2   .   18007   1    
     718   .   2   2   1    1    DA2   HG2    H   1    1.634     0.029   .   1   .   612   .   .   1148   DA2   HCG2   .   18007   1    
     719   .   2   2   1    1    DA2   HD2    H   1    3.152     0.012   .   1   .   613   .   .   1148   DA2   HCD2   .   18007   1    
     720   .   2   2   1    1    DA2   HQ11   H   1    2.425     0.025   .   1   .   614   .   .   1148   DA2   HC11   .   18007   1    
     721   .   2   2   1    1    DA2   HQ12   H   1    2.425     0.025   .   1   .   614   .   .   1148   DA2   HC12   .   18007   1    
     722   .   2   2   1    1    DA2   HQ13   H   1    2.425     0.025   .   1   .   614   .   .   1148   DA2   HC13   .   18007   1    
     723   .   2   2   1    1    DA2   HQ21   H   1    2.425     0.025   .   1   .   615   .   .   1148   DA2   HC21   .   18007   1    
     724   .   2   2   1    1    DA2   HQ22   H   1    2.425     0.025   .   1   .   615   .   .   1148   DA2   HC22   .   18007   1    
     725   .   2   2   1    1    DA2   HQ23   H   1    2.425     0.025   .   1   .   615   .   .   1148   DA2   HC23   .   18007   1    
     726   .   2   2   1    1    DA2   HB3    H   1    1.863     0.004   .   1   .   636   .   .   1148   DA2   HCB1   .   18007   1    
     727   .   2   2   1    1    DA2   HD3    H   1    3.152     0.012   .   1   .   637   .   .   1148   DA2   HCD1   .   18007   1    
     728   .   2   2   1    1    DA2   HG3    H   1    1.634     0.029   .   1   .   638   .   .   1148   DA2   HCG1   .   18007   1    

   stop_

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