###################################
     #  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                     18004
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err            .
   _Assigned_chem_shift_list.Chem_shift_13C_err           .
   _Assigned_chem_shift_list.Chem_shift_15N_err           .
   _Assigned_chem_shift_list.Chem_shift_31P_err           .
   _Assigned_chem_shift_list.Chem_shift_2H_err            .
   _Assigned_chem_shift_list.Chem_shift_19F_err           .
   _Assigned_chem_shift_list.Error_derivation_method      .
   _Assigned_chem_shift_list.Details                      'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4a24/ebi/MYNDcs_9.bmrb.csh'
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

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

     1   '2D 1H-1H NOESY'                        1   $sample_1   solution   18004   1    
     2   '3D 1H-15N NOESY'                       1   $sample_1   solution   18004   1    
     3   '3D 1H-13C NOESY (aliphatic carbons)'   1   $sample_1   solution   18004   1    
     4   '3D 1H-13C NOESY (aromatic carbons)'    1   $sample_1   solution   18004   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   2    2    ALA   CA     C   13   52.773    0.063   .   1   .   1     .   .   499   ALA   CA     .   18004   1    
     2     .   1   1   2    2    ALA   HA     H   1    4.348     0.020   .   1   .   2     .   .   499   ALA   HA     .   18004   1    
     3     .   1   1   2    2    ALA   CB     C   13   19.362    0.200   .   1   .   3     .   .   499   ALA   CB     .   18004   1    
     4     .   1   1   2    2    ALA   HB1    H   1    1.396     0.030   .   1   .   4     .   .   499   ALA   HB1    .   18004   1    
     5     .   1   1   2    2    ALA   HB2    H   1    1.396     0.030   .   1   .   4     .   .   499   ALA   HB2    .   18004   1    
     6     .   1   1   2    2    ALA   HB3    H   1    1.396     0.030   .   1   .   4     .   .   499   ALA   HB3    .   18004   1    
     7     .   1   1   2    2    ALA   C      C   13   177.969   0.200   .   1   .   5     .   .   499   ALA   C      .   18004   1    
     8     .   1   1   3    3    MET   N      N   15   119.235   0.200   .   1   .   6     .   .   500   MET   N      .   18004   1    
     9     .   1   1   3    3    MET   H      H   1    8.517     0.008   .   1   .   7     .   .   500   MET   H      .   18004   1    
     10    .   1   1   3    3    MET   CA     C   13   55.539    0.060   .   1   .   8     .   .   500   MET   CA     .   18004   1    
     11    .   1   1   3    3    MET   HA     H   1    4.434     0.014   .   1   .   9     .   .   500   MET   HA     .   18004   1    
     12    .   1   1   3    3    MET   CB     C   13   32.690    0.099   .   1   .   10    .   .   500   MET   CB     .   18004   1    
     13    .   1   1   3    3    MET   HB2    H   1    2.100     0.020   .   2   .   11    .   .   500   MET   HB2    .   18004   1    
     14    .   1   1   3    3    MET   HB3    H   1    2.029     0.020   .   2   .   12    .   .   500   MET   HB3    .   18004   1    
     15    .   1   1   3    3    MET   CG     C   13   32.115    0.052   .   1   .   13    .   .   500   MET   CG     .   18004   1    
     16    .   1   1   3    3    MET   HG2    H   1    2.603     0.020   .   2   .   14    .   .   500   MET   HG2    .   18004   1    
     17    .   1   1   3    3    MET   HG3    H   1    2.534     0.020   .   2   .   15    .   .   500   MET   HG3    .   18004   1    
     18    .   1   1   3    3    MET   C      C   13   176.311   0.200   .   1   .   16    .   .   500   MET   C      .   18004   1    
     19    .   1   1   4    4    GLU   N      N   15   121.554   0.015   .   1   .   17    .   .   501   GLU   N      .   18004   1    
     20    .   1   1   4    4    GLU   H      H   1    8.504     0.015   .   1   .   18    .   .   501   GLU   H      .   18004   1    
     21    .   1   1   4    4    GLU   CA     C   13   57.174    0.200   .   1   .   19    .   .   501   GLU   CA     .   18004   1    
     22    .   1   1   4    4    GLU   HA     H   1    4.273     0.020   .   1   .   20    .   .   501   GLU   HA     .   18004   1    
     23    .   1   1   4    4    GLU   CB     C   13   29.854    0.200   .   1   .   21    .   .   501   GLU   CB     .   18004   1    
     24    .   1   1   4    4    GLU   HB2    H   1    1.962     0.020   .   1   .   22    .   .   501   GLU   HB2    .   18004   1    
     25    .   1   1   4    4    GLU   HB3    H   1    1.962     0.020   .   1   .   23    .   .   501   GLU   HB3    .   18004   1    
     26    .   1   1   4    4    GLU   CG     C   13   35.974    0.425   .   1   .   24    .   .   501   GLU   CG     .   18004   1    
     27    .   1   1   4    4    GLU   HG2    H   1    2.286     0.030   .   1   .   25    .   .   501   GLU   HG2    .   18004   1    
     28    .   1   1   4    4    GLU   HG3    H   1    2.286     0.030   .   1   .   26    .   .   501   GLU   HG3    .   18004   1    
     29    .   1   1   4    4    GLU   C      C   13   176.436   0.200   .   1   .   27    .   .   501   GLU   C      .   18004   1    
     30    .   1   1   5    5    GLN   N      N   15   120.273   0.023   .   1   .   28    .   .   502   GLN   N      .   18004   1    
     31    .   1   1   5    5    GLN   H      H   1    8.275     0.020   .   1   .   29    .   .   502   GLN   H      .   18004   1    
     32    .   1   1   5    5    GLN   CA     C   13   55.153    0.200   .   1   .   30    .   .   502   GLN   CA     .   18004   1    
     33    .   1   1   5    5    GLN   HA     H   1    4.418     0.018   .   1   .   31    .   .   502   GLN   HA     .   18004   1    
     34    .   1   1   5    5    GLN   CB     C   13   29.583    0.150   .   1   .   32    .   .   502   GLN   CB     .   18004   1    
     35    .   1   1   5    5    GLN   HB2    H   1    1.863     0.008   .   2   .   33    .   .   502   GLN   HB2    .   18004   1    
     36    .   1   1   5    5    GLN   HB3    H   1    2.046     0.005   .   2   .   34    .   .   502   GLN   HB3    .   18004   1    
     37    .   1   1   5    5    GLN   CG     C   13   33.837    0.027   .   1   .   35    .   .   502   GLN   CG     .   18004   1    
     38    .   1   1   5    5    GLN   HG2    H   1    2.313     0.004   .   1   .   36    .   .   502   GLN   HG2    .   18004   1    
     39    .   1   1   5    5    GLN   HG3    H   1    2.313     0.004   .   1   .   37    .   .   502   GLN   HG3    .   18004   1    
     40    .   1   1   5    5    GLN   NE2    N   15   112.132   0.060   .   1   .   38    .   .   502   GLN   NE2    .   18004   1    
     41    .   1   1   5    5    GLN   HE21   H   1    6.835     0.020   .   1   .   39    .   .   502   GLN   HE21   .   18004   1    
     42    .   1   1   5    5    GLN   HE22   H   1    7.496     0.020   .   1   .   40    .   .   502   GLN   HE22   .   18004   1    
     43    .   1   1   5    5    GLN   C      C   13   175.403   0.200   .   1   .   41    .   .   502   GLN   C      .   18004   1    
     44    .   1   1   6    6    SER   N      N   15   116.478   0.008   .   1   .   42    .   .   503   SER   N      .   18004   1    
     45    .   1   1   6    6    SER   H      H   1    8.229     0.006   .   1   .   43    .   .   503   SER   H      .   18004   1    
     46    .   1   1   6    6    SER   CA     C   13   57.034    0.009   .   1   .   44    .   .   503   SER   CA     .   18004   1    
     47    .   1   1   6    6    SER   HA     H   1    4.625     0.005   .   1   .   45    .   .   503   SER   HA     .   18004   1    
     48    .   1   1   6    6    SER   CB     C   13   65.197    0.033   .   1   .   46    .   .   503   SER   CB     .   18004   1    
     49    .   1   1   6    6    SER   HB2    H   1    3.503     0.020   .   2   .   47    .   .   503   SER   HB2    .   18004   1    
     50    .   1   1   6    6    SER   HB3    H   1    3.470     0.002   .   2   .   48    .   .   503   SER   HB3    .   18004   1    
     51    .   1   1   6    6    SER   C      C   13   172.415   0.200   .   1   .   49    .   .   503   SER   C      .   18004   1    
     52    .   1   1   7    7    CYS   N      N   15   124.055   0.007   .   1   .   50    .   .   504   CYS   N      .   18004   1    
     53    .   1   1   7    7    CYS   H      H   1    9.393     0.012   .   1   .   51    .   .   504   CYS   H      .   18004   1    
     54    .   1   1   7    7    CYS   CA     C   13   58.679    0.057   .   1   .   52    .   .   504   CYS   CA     .   18004   1    
     55    .   1   1   7    7    CYS   HA     H   1    4.148     0.022   .   1   .   53    .   .   504   CYS   HA     .   18004   1    
     56    .   1   1   7    7    CYS   CB     C   13   30.583    0.078   .   1   .   54    .   .   504   CYS   CB     .   18004   1    
     57    .   1   1   7    7    CYS   HB2    H   1    3.385     0.004   .   2   .   55    .   .   504   CYS   HB2    .   18004   1    
     58    .   1   1   7    7    CYS   HB3    H   1    2.702     0.009   .   2   .   56    .   .   504   CYS   HB3    .   18004   1    
     59    .   1   1   7    7    CYS   C      C   13   178.689   0.200   .   1   .   57    .   .   504   CYS   C      .   18004   1    
     60    .   1   1   8    8    VAL   N      N   15   129.107   0.036   .   1   .   58    .   .   505   VAL   N      .   18004   1    
     61    .   1   1   8    8    VAL   H      H   1    8.296     0.009   .   1   .   59    .   .   505   VAL   H      .   18004   1    
     62    .   1   1   8    8    VAL   CA     C   13   64.405    0.240   .   1   .   60    .   .   505   VAL   CA     .   18004   1    
     63    .   1   1   8    8    VAL   HA     H   1    4.114     0.002   .   1   .   61    .   .   505   VAL   HA     .   18004   1    
     64    .   1   1   8    8    VAL   CB     C   13   31.991    0.223   .   1   .   62    .   .   505   VAL   CB     .   18004   1    
     65    .   1   1   8    8    VAL   HB     H   1    2.337     0.001   .   1   .   63    .   .   505   VAL   HB     .   18004   1    
     66    .   1   1   8    8    VAL   CG1    C   13   21.950    0.070   .   1   .   64    .   .   505   VAL   CG1    .   18004   1    
     67    .   1   1   8    8    VAL   HG11   H   1    1.031     0.013   .   2   .   65    .   .   505   VAL   HG11   .   18004   1    
     68    .   1   1   8    8    VAL   HG12   H   1    1.031     0.013   .   2   .   65    .   .   505   VAL   HG12   .   18004   1    
     69    .   1   1   8    8    VAL   HG13   H   1    1.031     0.013   .   2   .   65    .   .   505   VAL   HG13   .   18004   1    
     70    .   1   1   8    8    VAL   CG2    C   13   21.473    0.200   .   1   .   66    .   .   505   VAL   CG2    .   18004   1    
     71    .   1   1   8    8    VAL   HG21   H   1    1.039     0.020   .   2   .   67    .   .   505   VAL   HG21   .   18004   1    
     72    .   1   1   8    8    VAL   HG22   H   1    1.039     0.020   .   2   .   67    .   .   505   VAL   HG22   .   18004   1    
     73    .   1   1   8    8    VAL   HG23   H   1    1.039     0.020   .   2   .   67    .   .   505   VAL   HG23   .   18004   1    
     74    .   1   1   8    8    VAL   C      C   13   175.137   0.200   .   1   .   68    .   .   505   VAL   C      .   18004   1    
     75    .   1   1   9    9    ASN   N      N   15   120.648   0.047   .   1   .   69    .   .   506   ASN   N      .   18004   1    
     76    .   1   1   9    9    ASN   H      H   1    8.968     0.023   .   1   .   70    .   .   506   ASN   H      .   18004   1    
     77    .   1   1   9    9    ASN   CA     C   13   56.288    0.132   .   1   .   71    .   .   506   ASN   CA     .   18004   1    
     78    .   1   1   9    9    ASN   HA     H   1    5.122     0.019   .   1   .   72    .   .   506   ASN   HA     .   18004   1    
     79    .   1   1   9    9    ASN   CB     C   13   41.147    0.185   .   1   .   73    .   .   506   ASN   CB     .   18004   1    
     80    .   1   1   9    9    ASN   HB2    H   1    3.588     0.020   .   2   .   74    .   .   506   ASN   HB2    .   18004   1    
     81    .   1   1   9    9    ASN   HB3    H   1    2.486     0.016   .   2   .   75    .   .   506   ASN   HB3    .   18004   1    
     82    .   1   1   9    9    ASN   ND2    N   15   119.776   0.029   .   1   .   76    .   .   506   ASN   ND2    .   18004   1    
     83    .   1   1   9    9    ASN   HD21   H   1    9.046     0.010   .   1   .   77    .   .   506   ASN   HD21   .   18004   1    
     84    .   1   1   9    9    ASN   HD22   H   1    6.845     0.010   .   1   .   78    .   .   506   ASN   HD22   .   18004   1    
     85    .   1   1   9    9    ASN   C      C   13   174.965   0.200   .   1   .   79    .   .   506   ASN   C      .   18004   1    
     86    .   1   1   10   10   CYS   N      N   15   113.921   0.085   .   1   .   80    .   .   507   CYS   N      .   18004   1    
     87    .   1   1   10   10   CYS   H      H   1    7.794     0.021   .   1   .   81    .   .   507   CYS   H      .   18004   1    
     88    .   1   1   10   10   CYS   CA     C   13   58.809    0.047   .   1   .   82    .   .   507   CYS   CA     .   18004   1    
     89    .   1   1   10   10   CYS   HA     H   1    5.231     0.025   .   1   .   83    .   .   507   CYS   HA     .   18004   1    
     90    .   1   1   10   10   CYS   CB     C   13   34.123    0.104   .   1   .   84    .   .   507   CYS   CB     .   18004   1    
     91    .   1   1   10   10   CYS   HB2    H   1    3.204     0.004   .   2   .   85    .   .   507   CYS   HB2    .   18004   1    
     92    .   1   1   10   10   CYS   HB3    H   1    2.522     0.011   .   2   .   86    .   .   507   CYS   HB3    .   18004   1    
     93    .   1   1   10   10   CYS   C      C   13   175.732   0.200   .   1   .   87    .   .   507   CYS   C      .   18004   1    
     94    .   1   1   11   11   GLY   N      N   15   113.399   0.030   .   1   .   88    .   .   508   GLY   N      .   18004   1    
     95    .   1   1   11   11   GLY   H      H   1    8.060     0.020   .   1   .   89    .   .   508   GLY   H      .   18004   1    
     96    .   1   1   11   11   GLY   CA     C   13   45.948    0.200   .   1   .   90    .   .   508   GLY   CA     .   18004   1    
     97    .   1   1   11   11   GLY   HA2    H   1    3.347     0.020   .   1   .   91    .   .   508   GLY   HA2    .   18004   1    
     98    .   1   1   11   11   GLY   HA3    H   1    3.347     0.020   .   1   .   92    .   .   508   GLY   HA3    .   18004   1    
     99    .   1   1   11   11   GLY   C      C   13   173.667   0.200   .   1   .   93    .   .   508   GLY   C      .   18004   1    
     100   .   1   1   12   12   ARG   N      N   15   121.626   0.038   .   1   .   94    .   .   509   ARG   N      .   18004   1    
     101   .   1   1   12   12   ARG   H      H   1    8.093     0.011   .   1   .   95    .   .   509   ARG   H      .   18004   1    
     102   .   1   1   12   12   ARG   CA     C   13   56.594    0.035   .   1   .   96    .   .   509   ARG   CA     .   18004   1    
     103   .   1   1   12   12   ARG   HA     H   1    4.323     0.014   .   1   .   97    .   .   509   ARG   HA     .   18004   1    
     104   .   1   1   12   12   ARG   CB     C   13   30.843    0.287   .   1   .   98    .   .   509   ARG   CB     .   18004   1    
     105   .   1   1   12   12   ARG   HB2    H   1    1.930     0.020   .   2   .   99    .   .   509   ARG   HB2    .   18004   1    
     106   .   1   1   12   12   ARG   HB3    H   1    1.743     0.005   .   2   .   100   .   .   509   ARG   HB3    .   18004   1    
     107   .   1   1   12   12   ARG   CG     C   13   29.433    0.126   .   1   .   101   .   .   509   ARG   CG     .   18004   1    
     108   .   1   1   12   12   ARG   HG2    H   1    1.581     0.005   .   1   .   102   .   .   509   ARG   HG2    .   18004   1    
     109   .   1   1   12   12   ARG   HG3    H   1    1.581     0.005   .   1   .   103   .   .   509   ARG   HG3    .   18004   1    
     110   .   1   1   12   12   ARG   CD     C   13   43.148    0.105   .   1   .   104   .   .   509   ARG   CD     .   18004   1    
     111   .   1   1   12   12   ARG   HD2    H   1    3.205     0.011   .   1   .   105   .   .   509   ARG   HD2    .   18004   1    
     112   .   1   1   12   12   ARG   HD3    H   1    3.205     0.011   .   1   .   106   .   .   509   ARG   HD3    .   18004   1    
     113   .   1   1   12   12   ARG   C      C   13   174.965   0.200   .   1   .   107   .   .   509   ARG   C      .   18004   1    
     114   .   1   1   13   13   GLU   N      N   15   120.416   0.012   .   1   .   108   .   .   510   GLU   N      .   18004   1    
     115   .   1   1   13   13   GLU   H      H   1    8.523     0.029   .   1   .   109   .   .   510   GLU   H      .   18004   1    
     116   .   1   1   13   13   GLU   CA     C   13   58.562    0.165   .   1   .   110   .   .   510   GLU   CA     .   18004   1    
     117   .   1   1   13   13   GLU   HA     H   1    4.045     0.034   .   1   .   111   .   .   510   GLU   HA     .   18004   1    
     118   .   1   1   13   13   GLU   CB     C   13   29.730    0.199   .   1   .   112   .   .   510   GLU   CB     .   18004   1    
     119   .   1   1   13   13   GLU   HB2    H   1    1.914     0.020   .   2   .   113   .   .   510   GLU   HB2    .   18004   1    
     120   .   1   1   13   13   GLU   HB3    H   1    1.968     0.020   .   2   .   114   .   .   510   GLU   HB3    .   18004   1    
     121   .   1   1   13   13   GLU   CG     C   13   36.288    0.149   .   1   .   115   .   .   510   GLU   CG     .   18004   1    
     122   .   1   1   13   13   GLU   HG2    H   1    2.317     0.016   .   1   .   116   .   .   510   GLU   HG2    .   18004   1    
     123   .   1   1   13   13   GLU   HG3    H   1    2.317     0.016   .   1   .   117   .   .   510   GLU   HG3    .   18004   1    
     124   .   1   1   13   13   GLU   C      C   13   175.810   0.200   .   1   .   118   .   .   510   GLU   C      .   18004   1    
     125   .   1   1   14   14   ALA   N      N   15   124.181   0.129   .   1   .   119   .   .   511   ALA   N      .   18004   1    
     126   .   1   1   14   14   ALA   H      H   1    8.102     0.025   .   1   .   120   .   .   511   ALA   H      .   18004   1    
     127   .   1   1   14   14   ALA   CA     C   13   51.782    0.114   .   1   .   121   .   .   511   ALA   CA     .   18004   1    
     128   .   1   1   14   14   ALA   HA     H   1    4.103     0.005   .   1   .   122   .   .   511   ALA   HA     .   18004   1    
     129   .   1   1   14   14   ALA   CB     C   13   21.426    0.088   .   1   .   123   .   .   511   ALA   CB     .   18004   1    
     130   .   1   1   14   14   ALA   HB1    H   1    0.990     0.021   .   1   .   124   .   .   511   ALA   HB1    .   18004   1    
     131   .   1   1   14   14   ALA   HB2    H   1    0.990     0.021   .   1   .   124   .   .   511   ALA   HB2    .   18004   1    
     132   .   1   1   14   14   ALA   HB3    H   1    0.990     0.021   .   1   .   124   .   .   511   ALA   HB3    .   18004   1    
     133   .   1   1   15   15   MET   N      N   15   117.496   0.013   .   1   .   125   .   .   512   MET   N      .   18004   1    
     134   .   1   1   15   15   MET   H      H   1    8.436     0.030   .   1   .   126   .   .   512   MET   H      .   18004   1    
     135   .   1   1   15   15   MET   HA     H   1    4.741     0.018   .   1   .   127   .   .   512   MET   HA     .   18004   1    
     136   .   1   1   15   15   MET   CB     C   13   34.429    0.098   .   1   .   128   .   .   512   MET   CB     .   18004   1    
     137   .   1   1   15   15   MET   HB2    H   1    2.182     0.005   .   2   .   129   .   .   512   MET   HB2    .   18004   1    
     138   .   1   1   15   15   MET   HB3    H   1    1.984     0.001   .   2   .   130   .   .   512   MET   HB3    .   18004   1    
     139   .   1   1   15   15   MET   CG     C   13   32.319    0.161   .   1   .   131   .   .   512   MET   CG     .   18004   1    
     140   .   1   1   15   15   MET   HG2    H   1    2.671     0.003   .   2   .   132   .   .   512   MET   HG2    .   18004   1    
     141   .   1   1   15   15   MET   HG3    H   1    2.485     0.020   .   2   .   133   .   .   512   MET   HG3    .   18004   1    
     142   .   1   1   15   15   MET   C      C   13   175.669   0.200   .   1   .   134   .   .   512   MET   C      .   18004   1    
     143   .   1   1   16   16   SER   N      N   15   114.843   0.013   .   1   .   135   .   .   513   SER   N      .   18004   1    
     144   .   1   1   16   16   SER   H      H   1    8.087     0.029   .   1   .   136   .   .   513   SER   H      .   18004   1    
     145   .   1   1   16   16   SER   CA     C   13   57.913    0.200   .   1   .   137   .   .   513   SER   CA     .   18004   1    
     146   .   1   1   16   16   SER   HA     H   1    4.811     0.020   .   1   .   138   .   .   513   SER   HA     .   18004   1    
     147   .   1   1   16   16   SER   CB     C   13   64.724    0.044   .   1   .   139   .   .   513   SER   CB     .   18004   1    
     148   .   1   1   16   16   SER   HB2    H   1    3.890     0.020   .   1   .   140   .   .   513   SER   HB2    .   18004   1    
     149   .   1   1   16   16   SER   HB3    H   1    3.890     0.020   .   1   .   141   .   .   513   SER   HB3    .   18004   1    
     150   .   1   1   16   16   SER   C      C   13   172.916   0.200   .   1   .   142   .   .   513   SER   C      .   18004   1    
     151   .   1   1   17   17   GLU   N      N   15   122.735   0.019   .   1   .   143   .   .   514   GLU   N      .   18004   1    
     152   .   1   1   17   17   GLU   H      H   1    8.502     0.006   .   1   .   144   .   .   514   GLU   H      .   18004   1    
     153   .   1   1   17   17   GLU   CA     C   13   54.625    0.080   .   1   .   145   .   .   514   GLU   CA     .   18004   1    
     154   .   1   1   17   17   GLU   HA     H   1    5.034     0.016   .   1   .   146   .   .   514   GLU   HA     .   18004   1    
     155   .   1   1   17   17   GLU   CB     C   13   32.746    0.032   .   1   .   147   .   .   514   GLU   CB     .   18004   1    
     156   .   1   1   17   17   GLU   HB2    H   1    1.928     0.020   .   1   .   148   .   .   514   GLU   HB2    .   18004   1    
     157   .   1   1   17   17   GLU   HB3    H   1    1.928     0.020   .   1   .   149   .   .   514   GLU   HB3    .   18004   1    
     158   .   1   1   17   17   GLU   CG     C   13   35.582    0.121   .   1   .   150   .   .   514   GLU   CG     .   18004   1    
     159   .   1   1   17   17   GLU   HG2    H   1    2.278     0.020   .   2   .   151   .   .   514   GLU   HG2    .   18004   1    
     160   .   1   1   17   17   GLU   HG3    H   1    2.101     0.020   .   2   .   152   .   .   514   GLU   HG3    .   18004   1    
     161   .   1   1   17   17   GLU   C      C   13   176.702   0.200   .   1   .   153   .   .   514   GLU   C      .   18004   1    
     162   .   1   1   18   18   CYS   N      N   15   122.708   0.023   .   1   .   154   .   .   515   CYS   N      .   18004   1    
     163   .   1   1   18   18   CYS   H      H   1    8.170     0.035   .   1   .   155   .   .   515   CYS   H      .   18004   1    
     164   .   1   1   18   18   CYS   CA     C   13   60.292    0.144   .   1   .   156   .   .   515   CYS   CA     .   18004   1    
     165   .   1   1   18   18   CYS   HA     H   1    4.426     0.020   .   1   .   157   .   .   515   CYS   HA     .   18004   1    
     166   .   1   1   18   18   CYS   CB     C   13   30.453    0.042   .   1   .   158   .   .   515   CYS   CB     .   18004   1    
     167   .   1   1   18   18   CYS   HB2    H   1    3.203     0.006   .   2   .   159   .   .   515   CYS   HB2    .   18004   1    
     168   .   1   1   18   18   CYS   HB3    H   1    2.865     0.021   .   2   .   160   .   .   515   CYS   HB3    .   18004   1    
     169   .   1   1   18   18   CYS   C      C   13   177.594   0.200   .   1   .   161   .   .   515   CYS   C      .   18004   1    
     170   .   1   1   19   19   THR   N      N   15   123.260   0.028   .   1   .   162   .   .   516   THR   N      .   18004   1    
     171   .   1   1   19   19   THR   H      H   1    8.750     0.012   .   1   .   163   .   .   516   THR   H      .   18004   1    
     172   .   1   1   19   19   THR   CA     C   13   63.333    0.017   .   1   .   164   .   .   516   THR   CA     .   18004   1    
     173   .   1   1   19   19   THR   HA     H   1    3.612     0.009   .   1   .   165   .   .   516   THR   HA     .   18004   1    
     174   .   1   1   19   19   THR   CB     C   13   68.416    0.105   .   1   .   166   .   .   516   THR   CB     .   18004   1    
     175   .   1   1   19   19   THR   HB     H   1    4.436     0.003   .   1   .   167   .   .   516   THR   HB     .   18004   1    
     176   .   1   1   19   19   THR   CG2    C   13   22.188    0.034   .   1   .   168   .   .   516   THR   CG2    .   18004   1    
     177   .   1   1   19   19   THR   HG21   H   1    1.379     0.020   .   1   .   169   .   .   516   THR   HG21   .   18004   1    
     178   .   1   1   19   19   THR   HG22   H   1    1.379     0.020   .   1   .   169   .   .   516   THR   HG22   .   18004   1    
     179   .   1   1   19   19   THR   HG23   H   1    1.379     0.020   .   1   .   169   .   .   516   THR   HG23   .   18004   1    
     180   .   1   1   19   19   THR   C      C   13   174.637   0.200   .   1   .   170   .   .   516   THR   C      .   18004   1    
     181   .   1   1   20   20   GLY   N      N   15   113.587   0.018   .   1   .   171   .   .   517   GLY   N      .   18004   1    
     182   .   1   1   20   20   GLY   H      H   1    9.108     0.037   .   1   .   172   .   .   517   GLY   H      .   18004   1    
     183   .   1   1   20   20   GLY   CA     C   13   46.468    0.130   .   1   .   173   .   .   517   GLY   CA     .   18004   1    
     184   .   1   1   20   20   GLY   HA2    H   1    4.008     0.020   .   2   .   174   .   .   517   GLY   HA2    .   18004   1    
     185   .   1   1   20   20   GLY   HA3    H   1    3.723     0.097   .   2   .   175   .   .   517   GLY   HA3    .   18004   1    
     186   .   1   1   20   20   GLY   C      C   13   174.574   0.200   .   1   .   176   .   .   517   GLY   C      .   18004   1    
     187   .   1   1   21   21   CYS   N      N   15   114.239   0.018   .   1   .   177   .   .   518   CYS   N      .   18004   1    
     188   .   1   1   21   21   CYS   H      H   1    7.162     0.023   .   1   .   178   .   .   518   CYS   H      .   18004   1    
     189   .   1   1   21   21   CYS   CA     C   13   57.575    0.072   .   1   .   179   .   .   518   CYS   CA     .   18004   1    
     190   .   1   1   21   21   CYS   HA     H   1    5.048     0.022   .   1   .   180   .   .   518   CYS   HA     .   18004   1    
     191   .   1   1   21   21   CYS   CB     C   13   33.559    0.055   .   1   .   181   .   .   518   CYS   CB     .   18004   1    
     192   .   1   1   21   21   CYS   HB2    H   1    3.695     0.003   .   2   .   182   .   .   518   CYS   HB2    .   18004   1    
     193   .   1   1   21   21   CYS   HB3    H   1    3.154     0.027   .   2   .   183   .   .   518   CYS   HB3    .   18004   1    
     194   .   1   1   21   21   CYS   C      C   13   175.137   0.200   .   1   .   184   .   .   518   CYS   C      .   18004   1    
     195   .   1   1   22   22   HIS   N      N   15   117.387   0.028   .   1   .   185   .   .   519   HIS   N      .   18004   1    
     196   .   1   1   22   22   HIS   H      H   1    8.294     0.022   .   1   .   186   .   .   519   HIS   H      .   18004   1    
     197   .   1   1   22   22   HIS   CA     C   13   57.746    0.266   .   1   .   187   .   .   519   HIS   CA     .   18004   1    
     198   .   1   1   22   22   HIS   HA     H   1    4.266     0.020   .   1   .   188   .   .   519   HIS   HA     .   18004   1    
     199   .   1   1   22   22   HIS   CB     C   13   26.357    0.137   .   1   .   189   .   .   519   HIS   CB     .   18004   1    
     200   .   1   1   22   22   HIS   HB2    H   1    3.590     0.020   .   2   .   190   .   .   519   HIS   HB2    .   18004   1    
     201   .   1   1   22   22   HIS   HB3    H   1    3.470     0.007   .   2   .   191   .   .   519   HIS   HB3    .   18004   1    
     202   .   1   1   22   22   HIS   CD2    C   13   120.466   0.152   .   1   .   192   .   .   519   HIS   CD2    .   18004   1    
     203   .   1   1   22   22   HIS   CE1    C   13   136.084   0.034   .   1   .   193   .   .   519   HIS   CE1    .   18004   1    
     204   .   1   1   22   22   HIS   HD2    H   1    7.174     0.003   .   1   .   194   .   .   519   HIS   HD2    .   18004   1    
     205   .   1   1   22   22   HIS   HE1    H   1    8.604     0.053   .   1   .   195   .   .   519   HIS   HE1    .   18004   1    
     206   .   1   1   22   22   HIS   C      C   13   174.668   0.200   .   1   .   196   .   .   519   HIS   C      .   18004   1    
     207   .   1   1   23   23   LYS   N      N   15   117.260   0.032   .   1   .   197   .   .   520   LYS   N      .   18004   1    
     208   .   1   1   23   23   LYS   H      H   1    8.738     0.020   .   1   .   198   .   .   520   LYS   H      .   18004   1    
     209   .   1   1   23   23   LYS   CA     C   13   57.042    0.259   .   1   .   199   .   .   520   LYS   CA     .   18004   1    
     210   .   1   1   23   23   LYS   HA     H   1    4.687     0.013   .   1   .   200   .   .   520   LYS   HA     .   18004   1    
     211   .   1   1   23   23   LYS   CB     C   13   35.594    0.198   .   1   .   201   .   .   520   LYS   CB     .   18004   1    
     212   .   1   1   23   23   LYS   HB2    H   1    2.146     0.009   .   1   .   202   .   .   520   LYS   HB2    .   18004   1    
     213   .   1   1   23   23   LYS   HB3    H   1    2.146     0.009   .   1   .   203   .   .   520   LYS   HB3    .   18004   1    
     214   .   1   1   23   23   LYS   CG     C   13   25.380    0.112   .   1   .   204   .   .   520   LYS   CG     .   18004   1    
     215   .   1   1   23   23   LYS   HG2    H   1    1.687     0.020   .   2   .   205   .   .   520   LYS   HG2    .   18004   1    
     216   .   1   1   23   23   LYS   HG3    H   1    1.544     0.003   .   2   .   206   .   .   520   LYS   HG3    .   18004   1    
     217   .   1   1   23   23   LYS   CD     C   13   29.296    0.200   .   1   .   207   .   .   520   LYS   CD     .   18004   1    
     218   .   1   1   23   23   LYS   HD2    H   1    1.762     0.023   .   1   .   208   .   .   520   LYS   HD2    .   18004   1    
     219   .   1   1   23   23   LYS   HD3    H   1    1.762     0.023   .   1   .   209   .   .   520   LYS   HD3    .   18004   1    
     220   .   1   1   23   23   LYS   HE2    H   1    3.122     0.024   .   1   .   210   .   .   520   LYS   HE2    .   18004   1    
     221   .   1   1   23   23   LYS   HE3    H   1    3.122     0.024   .   1   .   211   .   .   520   LYS   HE3    .   18004   1    
     222   .   1   1   23   23   LYS   C      C   13   176.358   0.200   .   1   .   212   .   .   520   LYS   C      .   18004   1    
     223   .   1   1   24   24   VAL   N      N   15   110.076   0.009   .   1   .   213   .   .   521   VAL   N      .   18004   1    
     224   .   1   1   24   24   VAL   H      H   1    7.016     0.012   .   1   .   214   .   .   521   VAL   H      .   18004   1    
     225   .   1   1   24   24   VAL   CA     C   13   58.988    0.121   .   1   .   215   .   .   521   VAL   CA     .   18004   1    
     226   .   1   1   24   24   VAL   HA     H   1    4.477     0.014   .   1   .   216   .   .   521   VAL   HA     .   18004   1    
     227   .   1   1   24   24   VAL   CB     C   13   35.506    0.012   .   1   .   217   .   .   521   VAL   CB     .   18004   1    
     228   .   1   1   24   24   VAL   HB     H   1    1.735     0.005   .   1   .   218   .   .   521   VAL   HB     .   18004   1    
     229   .   1   1   24   24   VAL   CG1    C   13   19.890    0.061   .   1   .   219   .   .   521   VAL   CG1    .   18004   1    
     230   .   1   1   24   24   VAL   HG11   H   1    0.402     0.016   .   2   .   220   .   .   521   VAL   HG11   .   18004   1    
     231   .   1   1   24   24   VAL   HG12   H   1    0.402     0.016   .   2   .   220   .   .   521   VAL   HG12   .   18004   1    
     232   .   1   1   24   24   VAL   HG13   H   1    0.402     0.016   .   2   .   220   .   .   521   VAL   HG13   .   18004   1    
     233   .   1   1   24   24   VAL   CG2    C   13   21.715    0.022   .   1   .   221   .   .   521   VAL   CG2    .   18004   1    
     234   .   1   1   24   24   VAL   HG21   H   1    0.856     0.003   .   2   .   222   .   .   521   VAL   HG21   .   18004   1    
     235   .   1   1   24   24   VAL   HG22   H   1    0.856     0.003   .   2   .   222   .   .   521   VAL   HG22   .   18004   1    
     236   .   1   1   24   24   VAL   HG23   H   1    0.856     0.003   .   2   .   222   .   .   521   VAL   HG23   .   18004   1    
     237   .   1   1   24   24   VAL   C      C   13   172.869   0.200   .   1   .   223   .   .   521   VAL   C      .   18004   1    
     238   .   1   1   25   25   ASN   N      N   15   119.404   0.046   .   1   .   224   .   .   522   ASN   N      .   18004   1    
     239   .   1   1   25   25   ASN   H      H   1    8.032     0.025   .   1   .   225   .   .   522   ASN   H      .   18004   1    
     240   .   1   1   25   25   ASN   CA     C   13   51.904    0.147   .   1   .   226   .   .   522   ASN   CA     .   18004   1    
     241   .   1   1   25   25   ASN   HA     H   1    5.252     0.004   .   1   .   227   .   .   522   ASN   HA     .   18004   1    
     242   .   1   1   25   25   ASN   CB     C   13   42.135    0.084   .   1   .   228   .   .   522   ASN   CB     .   18004   1    
     243   .   1   1   25   25   ASN   HB2    H   1    2.254     0.020   .   2   .   229   .   .   522   ASN   HB2    .   18004   1    
     244   .   1   1   25   25   ASN   HB3    H   1    2.160     0.020   .   2   .   230   .   .   522   ASN   HB3    .   18004   1    
     245   .   1   1   25   25   ASN   ND2    N   15   111.843   0.021   .   1   .   231   .   .   522   ASN   ND2    .   18004   1    
     246   .   1   1   25   25   ASN   HD21   H   1    7.087     0.032   .   1   .   232   .   .   522   ASN   HD21   .   18004   1    
     247   .   1   1   25   25   ASN   HD22   H   1    6.842     0.006   .   1   .   233   .   .   522   ASN   HD22   .   18004   1    
     248   .   1   1   25   25   ASN   C      C   13   172.337   0.200   .   1   .   234   .   .   522   ASN   C      .   18004   1    
     249   .   1   1   26   26   TYR   N      N   15   114.109   0.068   .   1   .   235   .   .   523   TYR   N      .   18004   1    
     250   .   1   1   26   26   TYR   H      H   1    8.430     0.020   .   1   .   236   .   .   523   TYR   H      .   18004   1    
     251   .   1   1   26   26   TYR   CA     C   13   56.300    0.041   .   1   .   237   .   .   523   TYR   CA     .   18004   1    
     252   .   1   1   26   26   TYR   HA     H   1    6.181     0.018   .   1   .   238   .   .   523   TYR   HA     .   18004   1    
     253   .   1   1   26   26   TYR   CB     C   13   43.843    0.038   .   1   .   239   .   .   523   TYR   CB     .   18004   1    
     254   .   1   1   26   26   TYR   HB2    H   1    3.276     0.003   .   2   .   240   .   .   523   TYR   HB2    .   18004   1    
     255   .   1   1   26   26   TYR   HB3    H   1    2.530     0.003   .   2   .   241   .   .   523   TYR   HB3    .   18004   1    
     256   .   1   1   26   26   TYR   CD1    C   13   132.520   0.137   .   3   .   242   .   .   523   TYR   CD1    .   18004   1    
     257   .   1   1   26   26   TYR   HD1    H   1    7.336     0.020   .   3   .   243   .   .   523   TYR   HD1    .   18004   1    
     258   .   1   1   26   26   TYR   CE1    C   13   119.382   0.152   .   3   .   244   .   .   523   TYR   CE1    .   18004   1    
     259   .   1   1   26   26   TYR   HE1    H   1    6.629     0.020   .   3   .   245   .   .   523   TYR   HE1    .   18004   1    
     260   .   1   1   26   26   TYR   CE2    C   13   118.379   0.161   .   3   .   246   .   .   523   TYR   CE2    .   18004   1    
     261   .   1   1   26   26   TYR   HE2    H   1    6.326     0.020   .   3   .   247   .   .   523   TYR   HE2    .   18004   1    
     262   .   1   1   26   26   TYR   CD2    C   13   132.867   0.355   .   3   .   248   .   .   523   TYR   CD2    .   18004   1    
     263   .   1   1   26   26   TYR   HD2    H   1    6.690     0.020   .   3   .   249   .   .   523   TYR   HD2    .   18004   1    
     264   .   1   1   26   26   TYR   C      C   13   176.796   0.200   .   1   .   250   .   .   523   TYR   C      .   18004   1    
     265   .   1   1   27   27   CYS   N      N   15   119.397   0.036   .   1   .   251   .   .   524   CYS   N      .   18004   1    
     266   .   1   1   27   27   CYS   H      H   1    9.694     0.019   .   1   .   252   .   .   524   CYS   H      .   18004   1    
     267   .   1   1   27   27   CYS   CA     C   13   59.726    0.200   .   1   .   253   .   .   524   CYS   CA     .   18004   1    
     268   .   1   1   27   27   CYS   HA     H   1    4.796     0.002   .   1   .   254   .   .   524   CYS   HA     .   18004   1    
     269   .   1   1   27   27   CYS   CB     C   13   31.425    0.116   .   1   .   255   .   .   524   CYS   CB     .   18004   1    
     270   .   1   1   27   27   CYS   HB2    H   1    3.284     0.020   .   2   .   256   .   .   524   CYS   HB2    .   18004   1    
     271   .   1   1   27   27   CYS   HB3    H   1    2.754     0.020   .   2   .   257   .   .   524   CYS   HB3    .   18004   1    
     272   .   1   1   27   27   CYS   C      C   13   175.122   0.200   .   1   .   258   .   .   524   CYS   C      .   18004   1    
     273   .   1   1   28   28   SER   N      N   15   113.659   0.042   .   1   .   259   .   .   525   SER   N      .   18004   1    
     274   .   1   1   28   28   SER   H      H   1    7.409     0.028   .   1   .   260   .   .   525   SER   H      .   18004   1    
     275   .   1   1   28   28   SER   HA     H   1    4.851     0.014   .   1   .   261   .   .   525   SER   HA     .   18004   1    
     276   .   1   1   28   28   SER   CB     C   13   64.733    0.095   .   1   .   262   .   .   525   SER   CB     .   18004   1    
     277   .   1   1   28   28   SER   HB2    H   1    4.398     0.002   .   2   .   263   .   .   525   SER   HB2    .   18004   1    
     278   .   1   1   28   28   SER   HB3    H   1    4.254     0.020   .   2   .   264   .   .   525   SER   HB3    .   18004   1    
     279   .   1   1   28   28   SER   C      C   13   174.292   0.200   .   1   .   265   .   .   525   SER   C      .   18004   1    
     280   .   1   1   29   29   THR   N      N   15   116.436   0.200   .   1   .   266   .   .   526   THR   N      .   18004   1    
     281   .   1   1   29   29   THR   H      H   1    8.985     0.020   .   1   .   267   .   .   526   THR   H      .   18004   1    
     282   .   1   1   29   29   THR   CA     C   13   65.398    0.200   .   1   .   268   .   .   526   THR   CA     .   18004   1    
     283   .   1   1   29   29   THR   HA     H   1    4.056     0.002   .   1   .   269   .   .   526   THR   HA     .   18004   1    
     284   .   1   1   29   29   THR   CB     C   13   68.350    0.163   .   1   .   270   .   .   526   THR   CB     .   18004   1    
     285   .   1   1   29   29   THR   HB     H   1    4.135     0.020   .   1   .   271   .   .   526   THR   HB     .   18004   1    
     286   .   1   1   29   29   THR   CG2    C   13   22.221    0.200   .   1   .   272   .   .   526   THR   CG2    .   18004   1    
     287   .   1   1   29   29   THR   HG21   H   1    1.285     0.015   .   1   .   273   .   .   526   THR   HG21   .   18004   1    
     288   .   1   1   29   29   THR   HG22   H   1    1.285     0.015   .   1   .   273   .   .   526   THR   HG22   .   18004   1    
     289   .   1   1   29   29   THR   HG23   H   1    1.285     0.015   .   1   .   273   .   .   526   THR   HG23   .   18004   1    
     290   .   1   1   29   29   THR   C      C   13   176.295   0.200   .   1   .   274   .   .   526   THR   C      .   18004   1    
     291   .   1   1   30   30   PHE   N      N   15   122.691   0.016   .   1   .   275   .   .   527   PHE   N      .   18004   1    
     292   .   1   1   30   30   PHE   H      H   1    8.482     0.018   .   1   .   276   .   .   527   PHE   H      .   18004   1    
     293   .   1   1   30   30   PHE   CA     C   13   62.255    0.019   .   1   .   277   .   .   527   PHE   CA     .   18004   1    
     294   .   1   1   30   30   PHE   HA     H   1    3.868     0.020   .   1   .   278   .   .   527   PHE   HA     .   18004   1    
     295   .   1   1   30   30   PHE   CB     C   13   39.057    0.042   .   1   .   279   .   .   527   PHE   CB     .   18004   1    
     296   .   1   1   30   30   PHE   HB2    H   1    3.166     0.016   .   1   .   280   .   .   527   PHE   HB2    .   18004   1    
     297   .   1   1   30   30   PHE   HB3    H   1    3.166     0.016   .   1   .   281   .   .   527   PHE   HB3    .   18004   1    
     298   .   1   1   30   30   PHE   CD1    C   13   132.298   0.045   .   3   .   282   .   .   527   PHE   CD1    .   18004   1    
     299   .   1   1   30   30   PHE   HD1    H   1    7.113     0.020   .   3   .   283   .   .   527   PHE   HD1    .   18004   1    
     300   .   1   1   30   30   PHE   CE1    C   13   130.895   0.012   .   3   .   284   .   .   527   PHE   CE1    .   18004   1    
     301   .   1   1   30   30   PHE   HE1    H   1    7.189     0.002   .   3   .   285   .   .   527   PHE   HE1    .   18004   1    
     302   .   1   1   30   30   PHE   CE2    C   13   130.895   0.012   .   3   .   286   .   .   527   PHE   CE2    .   18004   1    
     303   .   1   1   30   30   PHE   HE2    H   1    7.189     0.002   .   3   .   287   .   .   527   PHE   HE2    .   18004   1    
     304   .   1   1   30   30   PHE   CD2    C   13   132.298   0.045   .   3   .   288   .   .   527   PHE   CD2    .   18004   1    
     305   .   1   1   30   30   PHE   HD2    H   1    7.113     0.020   .   3   .   289   .   .   527   PHE   HD2    .   18004   1    
     306   .   1   1   30   30   PHE   C      C   13   178.767   0.200   .   1   .   290   .   .   527   PHE   C      .   18004   1    
     307   .   1   1   31   31   CYS   N      N   15   119.211   0.068   .   1   .   291   .   .   528   CYS   N      .   18004   1    
     308   .   1   1   31   31   CYS   H      H   1    7.956     0.011   .   1   .   292   .   .   528   CYS   H      .   18004   1    
     309   .   1   1   31   31   CYS   CA     C   13   65.567    0.085   .   1   .   293   .   .   528   CYS   CA     .   18004   1    
     310   .   1   1   31   31   CYS   HA     H   1    4.097     0.007   .   1   .   294   .   .   528   CYS   HA     .   18004   1    
     311   .   1   1   31   31   CYS   CB     C   13   31.561    0.044   .   1   .   295   .   .   528   CYS   CB     .   18004   1    
     312   .   1   1   31   31   CYS   HB2    H   1    3.110     0.020   .   2   .   296   .   .   528   CYS   HB2    .   18004   1    
     313   .   1   1   31   31   CYS   HB3    H   1    2.964     0.005   .   2   .   297   .   .   528   CYS   HB3    .   18004   1    
     314   .   1   1   31   31   CYS   C      C   13   176.201   0.200   .   1   .   298   .   .   528   CYS   C      .   18004   1    
     315   .   1   1   32   32   GLN   N      N   15   119.332   0.016   .   1   .   299   .   .   529   GLN   N      .   18004   1    
     316   .   1   1   32   32   GLN   H      H   1    7.443     0.029   .   1   .   300   .   .   529   GLN   H      .   18004   1    
     317   .   1   1   32   32   GLN   CA     C   13   58.786    0.128   .   1   .   301   .   .   529   GLN   CA     .   18004   1    
     318   .   1   1   32   32   GLN   HA     H   1    1.916     0.003   .   1   .   302   .   .   529   GLN   HA     .   18004   1    
     319   .   1   1   32   32   GLN   CB     C   13   27.905    0.080   .   1   .   303   .   .   529   GLN   CB     .   18004   1    
     320   .   1   1   32   32   GLN   HB2    H   1    1.976     0.008   .   2   .   304   .   .   529   GLN   HB2    .   18004   1    
     321   .   1   1   32   32   GLN   HB3    H   1    1.308     0.016   .   2   .   305   .   .   529   GLN   HB3    .   18004   1    
     322   .   1   1   32   32   GLN   CG     C   13   32.623    0.052   .   1   .   306   .   .   529   GLN   CG     .   18004   1    
     323   .   1   1   32   32   GLN   HG2    H   1    1.910     0.020   .   2   .   307   .   .   529   GLN   HG2    .   18004   1    
     324   .   1   1   32   32   GLN   HG3    H   1    2.013     0.001   .   2   .   308   .   .   529   GLN   HG3    .   18004   1    
     325   .   1   1   32   32   GLN   NE2    N   15   110.986   0.027   .   1   .   309   .   .   529   GLN   NE2    .   18004   1    
     326   .   1   1   32   32   GLN   HE21   H   1    6.787     0.004   .   1   .   310   .   .   529   GLN   HE21   .   18004   1    
     327   .   1   1   32   32   GLN   HE22   H   1    7.677     0.001   .   1   .   311   .   .   529   GLN   HE22   .   18004   1    
     328   .   1   1   32   32   GLN   C      C   13   178.548   0.200   .   1   .   312   .   .   529   GLN   C      .   18004   1    
     329   .   1   1   33   33   ARG   N      N   15   118.348   0.014   .   1   .   313   .   .   530   ARG   N      .   18004   1    
     330   .   1   1   33   33   ARG   H      H   1    8.293     0.015   .   1   .   314   .   .   530   ARG   H      .   18004   1    
     331   .   1   1   33   33   ARG   CA     C   13   58.788    0.039   .   1   .   315   .   .   530   ARG   CA     .   18004   1    
     332   .   1   1   33   33   ARG   HA     H   1    3.900     0.004   .   1   .   316   .   .   530   ARG   HA     .   18004   1    
     333   .   1   1   33   33   ARG   CB     C   13   29.699    0.024   .   1   .   317   .   .   530   ARG   CB     .   18004   1    
     334   .   1   1   33   33   ARG   HB2    H   1    1.693     0.020   .   1   .   318   .   .   530   ARG   HB2    .   18004   1    
     335   .   1   1   33   33   ARG   HB3    H   1    1.693     0.020   .   1   .   319   .   .   530   ARG   HB3    .   18004   1    
     336   .   1   1   33   33   ARG   CG     C   13   27.264    0.100   .   1   .   320   .   .   530   ARG   CG     .   18004   1    
     337   .   1   1   33   33   ARG   HG2    H   1    1.672     0.020   .   2   .   321   .   .   530   ARG   HG2    .   18004   1    
     338   .   1   1   33   33   ARG   HG3    H   1    1.475     0.020   .   2   .   322   .   .   530   ARG   HG3    .   18004   1    
     339   .   1   1   33   33   ARG   CD     C   13   43.213    0.071   .   1   .   323   .   .   530   ARG   CD     .   18004   1    
     340   .   1   1   33   33   ARG   HD2    H   1    3.030     0.002   .   1   .   324   .   .   530   ARG   HD2    .   18004   1    
     341   .   1   1   33   33   ARG   HD3    H   1    3.030     0.002   .   1   .   325   .   .   530   ARG   HD3    .   18004   1    
     342   .   1   1   33   33   ARG   C      C   13   179.284   0.200   .   1   .   326   .   .   530   ARG   C      .   18004   1    
     343   .   1   1   34   34   LYS   N      N   15   122.201   0.024   .   1   .   327   .   .   531   LYS   N      .   18004   1    
     344   .   1   1   34   34   LYS   H      H   1    8.274     0.020   .   1   .   328   .   .   531   LYS   H      .   18004   1    
     345   .   1   1   34   34   LYS   CA     C   13   58.478    0.130   .   1   .   329   .   .   531   LYS   CA     .   18004   1    
     346   .   1   1   34   34   LYS   HA     H   1    4.014     0.018   .   1   .   330   .   .   531   LYS   HA     .   18004   1    
     347   .   1   1   34   34   LYS   CB     C   13   32.188    0.015   .   1   .   331   .   .   531   LYS   CB     .   18004   1    
     348   .   1   1   34   34   LYS   HB2    H   1    1.925     0.020   .   2   .   332   .   .   531   LYS   HB2    .   18004   1    
     349   .   1   1   34   34   LYS   HB3    H   1    1.739     0.020   .   2   .   333   .   .   531   LYS   HB3    .   18004   1    
     350   .   1   1   34   34   LYS   CG     C   13   24.399    0.094   .   1   .   334   .   .   531   LYS   CG     .   18004   1    
     351   .   1   1   34   34   LYS   HG2    H   1    1.665     0.006   .   2   .   335   .   .   531   LYS   HG2    .   18004   1    
     352   .   1   1   34   34   LYS   HG3    H   1    1.824     0.021   .   2   .   336   .   .   531   LYS   HG3    .   18004   1    
     353   .   1   1   34   34   LYS   CD     C   13   28.876    0.200   .   1   .   337   .   .   531   LYS   CD     .   18004   1    
     354   .   1   1   34   34   LYS   HD2    H   1    1.942     0.020   .   1   .   338   .   .   531   LYS   HD2    .   18004   1    
     355   .   1   1   34   34   LYS   HD3    H   1    1.942     0.020   .   1   .   339   .   .   531   LYS   HD3    .   18004   1    
     356   .   1   1   34   34   LYS   CE     C   13   43.003    0.062   .   1   .   340   .   .   531   LYS   CE     .   18004   1    
     357   .   1   1   34   34   LYS   HE2    H   1    3.248     0.006   .   2   .   341   .   .   531   LYS   HE2    .   18004   1    
     358   .   1   1   34   34   LYS   HE3    H   1    3.376     0.011   .   2   .   342   .   .   531   LYS   HE3    .   18004   1    
     359   .   1   1   34   34   LYS   C      C   13   179.143   0.200   .   1   .   343   .   .   531   LYS   C      .   18004   1    
     360   .   1   1   35   35   ASP   N      N   15   115.218   0.026   .   1   .   344   .   .   532   ASP   N      .   18004   1    
     361   .   1   1   35   35   ASP   H      H   1    7.958     0.023   .   1   .   345   .   .   532   ASP   H      .   18004   1    
     362   .   1   1   35   35   ASP   CA     C   13   55.127    0.225   .   1   .   346   .   .   532   ASP   CA     .   18004   1    
     363   .   1   1   35   35   ASP   HA     H   1    4.931     0.020   .   1   .   347   .   .   532   ASP   HA     .   18004   1    
     364   .   1   1   35   35   ASP   CB     C   13   43.692    0.083   .   1   .   348   .   .   532   ASP   CB     .   18004   1    
     365   .   1   1   35   35   ASP   HB2    H   1    2.831     0.020   .   2   .   349   .   .   532   ASP   HB2    .   18004   1    
     366   .   1   1   35   35   ASP   HB3    H   1    2.627     0.020   .   2   .   350   .   .   532   ASP   HB3    .   18004   1    
     367   .   1   1   35   35   ASP   C      C   13   176.733   0.200   .   1   .   351   .   .   532   ASP   C      .   18004   1    
     368   .   1   1   36   36   TRP   N      N   15   120.648   0.026   .   1   .   352   .   .   533   TRP   N      .   18004   1    
     369   .   1   1   36   36   TRP   H      H   1    7.687     0.010   .   1   .   353   .   .   533   TRP   H      .   18004   1    
     370   .   1   1   36   36   TRP   CA     C   13   60.231    0.200   .   1   .   354   .   .   533   TRP   CA     .   18004   1    
     371   .   1   1   36   36   TRP   HA     H   1    4.763     0.020   .   1   .   355   .   .   533   TRP   HA     .   18004   1    
     372   .   1   1   36   36   TRP   CB     C   13   29.988    0.204   .   1   .   356   .   .   533   TRP   CB     .   18004   1    
     373   .   1   1   36   36   TRP   HB2    H   1    3.551     0.020   .   2   .   357   .   .   533   TRP   HB2    .   18004   1    
     374   .   1   1   36   36   TRP   HB3    H   1    3.275     0.020   .   2   .   358   .   .   533   TRP   HB3    .   18004   1    
     375   .   1   1   36   36   TRP   CD1    C   13   127.130   0.068   .   1   .   359   .   .   533   TRP   CD1    .   18004   1    
     376   .   1   1   36   36   TRP   CE3    C   13   121.512   0.025   .   1   .   360   .   .   533   TRP   CE3    .   18004   1    
     377   .   1   1   36   36   TRP   NE1    N   15   128.524   0.016   .   1   .   361   .   .   533   TRP   NE1    .   18004   1    
     378   .   1   1   36   36   TRP   HD1    H   1    7.153     0.017   .   1   .   362   .   .   533   TRP   HD1    .   18004   1    
     379   .   1   1   36   36   TRP   HE3    H   1    8.098     0.020   .   1   .   363   .   .   533   TRP   HE3    .   18004   1    
     380   .   1   1   36   36   TRP   CZ3    C   13   121.869   0.200   .   1   .   364   .   .   533   TRP   CZ3    .   18004   1    
     381   .   1   1   36   36   TRP   CZ2    C   13   115.033   0.046   .   1   .   365   .   .   533   TRP   CZ2    .   18004   1    
     382   .   1   1   36   36   TRP   HE1    H   1    9.997     0.024   .   1   .   366   .   .   533   TRP   HE1    .   18004   1    
     383   .   1   1   36   36   TRP   HZ3    H   1    7.334     0.020   .   1   .   367   .   .   533   TRP   HZ3    .   18004   1    
     384   .   1   1   36   36   TRP   CH2    C   13   124.664   0.182   .   1   .   368   .   .   533   TRP   CH2    .   18004   1    
     385   .   1   1   36   36   TRP   HZ2    H   1    7.455     0.003   .   1   .   369   .   .   533   TRP   HZ2    .   18004   1    
     386   .   1   1   36   36   TRP   HH2    H   1    7.272     0.020   .   1   .   370   .   .   533   TRP   HH2    .   18004   1    
     387   .   1   1   36   36   TRP   C      C   13   176.342   0.200   .   1   .   371   .   .   533   TRP   C      .   18004   1    
     388   .   1   1   37   37   LYS   N      N   15   116.586   0.027   .   1   .   372   .   .   534   LYS   N      .   18004   1    
     389   .   1   1   37   37   LYS   H      H   1    7.751     0.025   .   1   .   373   .   .   534   LYS   H      .   18004   1    
     390   .   1   1   37   37   LYS   CA     C   13   59.829    0.020   .   1   .   374   .   .   534   LYS   CA     .   18004   1    
     391   .   1   1   37   37   LYS   HA     H   1    3.797     0.003   .   1   .   375   .   .   534   LYS   HA     .   18004   1    
     392   .   1   1   37   37   LYS   CB     C   13   31.605    0.063   .   1   .   376   .   .   534   LYS   CB     .   18004   1    
     393   .   1   1   37   37   LYS   HB2    H   1    1.972     0.020   .   2   .   377   .   .   534   LYS   HB2    .   18004   1    
     394   .   1   1   37   37   LYS   HB3    H   1    1.930     0.020   .   2   .   378   .   .   534   LYS   HB3    .   18004   1    
     395   .   1   1   37   37   LYS   CG     C   13   24.253    0.177   .   1   .   379   .   .   534   LYS   CG     .   18004   1    
     396   .   1   1   37   37   LYS   HG2    H   1    1.526     0.004   .   1   .   380   .   .   534   LYS   HG2    .   18004   1    
     397   .   1   1   37   37   LYS   HG3    H   1    1.526     0.004   .   1   .   381   .   .   534   LYS   HG3    .   18004   1    
     398   .   1   1   37   37   LYS   CD     C   13   29.335    0.053   .   1   .   382   .   .   534   LYS   CD     .   18004   1    
     399   .   1   1   37   37   LYS   HD2    H   1    1.775     0.020   .   1   .   383   .   .   534   LYS   HD2    .   18004   1    
     400   .   1   1   37   37   LYS   HD3    H   1    1.775     0.020   .   1   .   384   .   .   534   LYS   HD3    .   18004   1    
     401   .   1   1   37   37   LYS   CE     C   13   42.329    0.200   .   1   .   385   .   .   534   LYS   CE     .   18004   1    
     402   .   1   1   37   37   LYS   HE2    H   1    3.125     0.012   .   1   .   386   .   .   534   LYS   HE2    .   18004   1    
     403   .   1   1   37   37   LYS   HE3    H   1    3.125     0.012   .   1   .   387   .   .   534   LYS   HE3    .   18004   1    
     404   .   1   1   37   37   LYS   C      C   13   177.453   0.200   .   1   .   388   .   .   534   LYS   C      .   18004   1    
     405   .   1   1   38   38   ASP   N      N   15   115.993   0.020   .   1   .   389   .   .   535   ASP   N      .   18004   1    
     406   .   1   1   38   38   ASP   H      H   1    7.593     0.005   .   1   .   390   .   .   535   ASP   H      .   18004   1    
     407   .   1   1   38   38   ASP   CA     C   13   55.901    0.200   .   1   .   391   .   .   535   ASP   CA     .   18004   1    
     408   .   1   1   38   38   ASP   HA     H   1    4.888     0.004   .   1   .   392   .   .   535   ASP   HA     .   18004   1    
     409   .   1   1   38   38   ASP   CB     C   13   42.545    0.117   .   1   .   393   .   .   535   ASP   CB     .   18004   1    
     410   .   1   1   38   38   ASP   HB2    H   1    2.810     0.020   .   2   .   394   .   .   535   ASP   HB2    .   18004   1    
     411   .   1   1   38   38   ASP   HB3    H   1    2.753     0.001   .   2   .   395   .   .   535   ASP   HB3    .   18004   1    
     412   .   1   1   38   38   ASP   C      C   13   178.361   0.200   .   1   .   396   .   .   535   ASP   C      .   18004   1    
     413   .   1   1   39   39   HIS   N      N   15   121.474   0.021   .   1   .   397   .   .   536   HIS   N      .   18004   1    
     414   .   1   1   39   39   HIS   H      H   1    9.321     0.018   .   1   .   398   .   .   536   HIS   H      .   18004   1    
     415   .   1   1   39   39   HIS   CA     C   13   58.956    0.099   .   1   .   399   .   .   536   HIS   CA     .   18004   1    
     416   .   1   1   39   39   HIS   HA     H   1    4.204     0.028   .   1   .   400   .   .   536   HIS   HA     .   18004   1    
     417   .   1   1   39   39   HIS   CB     C   13   29.357    0.043   .   1   .   401   .   .   536   HIS   CB     .   18004   1    
     418   .   1   1   39   39   HIS   HB2    H   1    3.498     0.020   .   2   .   402   .   .   536   HIS   HB2    .   18004   1    
     419   .   1   1   39   39   HIS   HB3    H   1    3.087     0.016   .   2   .   403   .   .   536   HIS   HB3    .   18004   1    
     420   .   1   1   39   39   HIS   CD2    C   13   120.466   0.152   .   1   .   404   .   .   536   HIS   CD2    .   18004   1    
     421   .   1   1   39   39   HIS   CE1    C   13   139.369   0.075   .   1   .   405   .   .   536   HIS   CE1    .   18004   1    
     422   .   1   1   39   39   HIS   HD2    H   1    7.171     0.020   .   1   .   406   .   .   536   HIS   HD2    .   18004   1    
     423   .   1   1   39   39   HIS   HE1    H   1    7.881     0.004   .   1   .   407   .   .   536   HIS   HE1    .   18004   1    
     424   .   1   1   39   39   HIS   C      C   13   176.655   0.200   .   1   .   408   .   .   536   HIS   C      .   18004   1    
     425   .   1   1   40   40   GLN   N      N   15   114.780   0.028   .   1   .   409   .   .   537   GLN   N      .   18004   1    
     426   .   1   1   40   40   GLN   H      H   1    8.133     0.023   .   1   .   410   .   .   537   GLN   H      .   18004   1    
     427   .   1   1   40   40   GLN   CA     C   13   57.870    0.010   .   1   .   411   .   .   537   GLN   CA     .   18004   1    
     428   .   1   1   40   40   GLN   HA     H   1    2.883     0.020   .   1   .   412   .   .   537   GLN   HA     .   18004   1    
     429   .   1   1   40   40   GLN   CB     C   13   27.221    0.057   .   1   .   413   .   .   537   GLN   CB     .   18004   1    
     430   .   1   1   40   40   GLN   HB2    H   1    1.015     0.004   .   2   .   414   .   .   537   GLN   HB2    .   18004   1    
     431   .   1   1   40   40   GLN   HB3    H   1    0.032     0.002   .   2   .   415   .   .   537   GLN   HB3    .   18004   1    
     432   .   1   1   40   40   GLN   CG     C   13   31.898    0.035   .   1   .   416   .   .   537   GLN   CG     .   18004   1    
     433   .   1   1   40   40   GLN   HG2    H   1    1.508     0.012   .   2   .   417   .   .   537   GLN   HG2    .   18004   1    
     434   .   1   1   40   40   GLN   HG3    H   1    0.773     0.020   .   2   .   418   .   .   537   GLN   HG3    .   18004   1    
     435   .   1   1   40   40   GLN   NE2    N   15   111.669   0.106   .   1   .   419   .   .   537   GLN   NE2    .   18004   1    
     436   .   1   1   40   40   GLN   HE21   H   1    6.707     0.004   .   1   .   420   .   .   537   GLN   HE21   .   18004   1    
     437   .   1   1   40   40   GLN   HE22   H   1    6.852     0.007   .   1   .   421   .   .   537   GLN   HE22   .   18004   1    
     438   .   1   1   40   40   GLN   C      C   13   176.076   0.200   .   1   .   422   .   .   537   GLN   C      .   18004   1    
     439   .   1   1   41   41   HIS   N      N   15   115.544   0.073   .   1   .   423   .   .   538   HIS   N      .   18004   1    
     440   .   1   1   41   41   HIS   H      H   1    6.833     0.020   .   1   .   424   .   .   538   HIS   H      .   18004   1    
     441   .   1   1   41   41   HIS   CA     C   13   57.622    0.090   .   1   .   425   .   .   538   HIS   CA     .   18004   1    
     442   .   1   1   41   41   HIS   HA     H   1    4.367     0.004   .   1   .   426   .   .   538   HIS   HA     .   18004   1    
     443   .   1   1   41   41   HIS   CB     C   13   30.218    0.174   .   1   .   427   .   .   538   HIS   CB     .   18004   1    
     444   .   1   1   41   41   HIS   HB2    H   1    3.222     0.020   .   2   .   428   .   .   538   HIS   HB2    .   18004   1    
     445   .   1   1   41   41   HIS   HB3    H   1    2.967     0.020   .   2   .   429   .   .   538   HIS   HB3    .   18004   1    
     446   .   1   1   41   41   HIS   CD2    C   13   120.370   0.081   .   1   .   430   .   .   538   HIS   CD2    .   18004   1    
     447   .   1   1   41   41   HIS   CE1    C   13   138.652   0.200   .   1   .   431   .   .   538   HIS   CE1    .   18004   1    
     448   .   1   1   41   41   HIS   HD2    H   1    7.285     0.003   .   1   .   432   .   .   538   HIS   HD2    .   18004   1    
     449   .   1   1   41   41   HIS   HE1    H   1    7.956     0.020   .   1   .   433   .   .   538   HIS   HE1    .   18004   1    
     450   .   1   1   41   41   HIS   C      C   13   175.576   0.200   .   1   .   434   .   .   538   HIS   C      .   18004   1    
     451   .   1   1   42   42   ILE   N      N   15   112.631   0.012   .   1   .   435   .   .   539   ILE   N      .   18004   1    
     452   .   1   1   42   42   ILE   H      H   1    7.349     0.019   .   1   .   436   .   .   539   ILE   H      .   18004   1    
     453   .   1   1   42   42   ILE   CA     C   13   60.301    0.142   .   1   .   437   .   .   539   ILE   CA     .   18004   1    
     454   .   1   1   42   42   ILE   HA     H   1    4.421     0.023   .   1   .   438   .   .   539   ILE   HA     .   18004   1    
     455   .   1   1   42   42   ILE   CB     C   13   39.914    0.017   .   1   .   439   .   .   539   ILE   CB     .   18004   1    
     456   .   1   1   42   42   ILE   HB     H   1    1.956     0.012   .   1   .   440   .   .   539   ILE   HB     .   18004   1    
     457   .   1   1   42   42   ILE   CG2    C   13   17.735    0.042   .   1   .   441   .   .   539   ILE   CG2    .   18004   1    
     458   .   1   1   42   42   ILE   HG21   H   1    0.850     0.020   .   1   .   442   .   .   539   ILE   HG21   .   18004   1    
     459   .   1   1   42   42   ILE   HG22   H   1    0.850     0.020   .   1   .   442   .   .   539   ILE   HG22   .   18004   1    
     460   .   1   1   42   42   ILE   HG23   H   1    0.850     0.020   .   1   .   442   .   .   539   ILE   HG23   .   18004   1    
     461   .   1   1   42   42   ILE   CG1    C   13   27.008    0.050   .   1   .   443   .   .   539   ILE   CG1    .   18004   1    
     462   .   1   1   42   42   ILE   HG12   H   1    1.163     0.020   .   2   .   444   .   .   539   ILE   HG12   .   18004   1    
     463   .   1   1   42   42   ILE   HG13   H   1    1.055     0.002   .   2   .   445   .   .   539   ILE   HG13   .   18004   1    
     464   .   1   1   42   42   ILE   CD1    C   13   13.980    0.023   .   1   .   446   .   .   539   ILE   CD1    .   18004   1    
     465   .   1   1   42   42   ILE   HD11   H   1    0.880     0.075   .   1   .   447   .   .   539   ILE   HD11   .   18004   1    
     466   .   1   1   42   42   ILE   HD12   H   1    0.880     0.075   .   1   .   447   .   .   539   ILE   HD12   .   18004   1    
     467   .   1   1   42   42   ILE   HD13   H   1    0.880     0.075   .   1   .   447   .   .   539   ILE   HD13   .   18004   1    
     468   .   1   1   42   42   ILE   C      C   13   175.372   0.200   .   1   .   448   .   .   539   ILE   C      .   18004   1    
     469   .   1   1   43   43   CYS   N      N   15   125.947   0.030   .   1   .   449   .   .   540   CYS   N      .   18004   1    
     470   .   1   1   43   43   CYS   H      H   1    7.148     0.003   .   1   .   450   .   .   540   CYS   H      .   18004   1    
     471   .   1   1   43   43   CYS   CA     C   13   61.874    0.026   .   1   .   451   .   .   540   CYS   CA     .   18004   1    
     472   .   1   1   43   43   CYS   HA     H   1    3.798     0.009   .   1   .   452   .   .   540   CYS   HA     .   18004   1    
     473   .   1   1   43   43   CYS   CB     C   13   29.515    0.039   .   1   .   453   .   .   540   CYS   CB     .   18004   1    
     474   .   1   1   43   43   CYS   HB2    H   1    2.580     0.025   .   2   .   454   .   .   540   CYS   HB2    .   18004   1    
     475   .   1   1   43   43   CYS   HB3    H   1    2.074     0.018   .   2   .   455   .   .   540   CYS   HB3    .   18004   1    
     476   .   1   1   43   43   CYS   C      C   13   176.233   0.200   .   1   .   456   .   .   540   CYS   C      .   18004   1    
     477   .   1   1   44   44   GLY   N      N   15   111.807   0.016   .   1   .   457   .   .   541   GLY   N      .   18004   1    
     478   .   1   1   44   44   GLY   H      H   1    8.373     0.001   .   1   .   458   .   .   541   GLY   H      .   18004   1    
     479   .   1   1   44   44   GLY   CA     C   13   45.632    0.237   .   1   .   459   .   .   541   GLY   CA     .   18004   1    
     480   .   1   1   44   44   GLY   HA2    H   1    4.101     0.007   .   2   .   460   .   .   541   GLY   HA2    .   18004   1    
     481   .   1   1   44   44   GLY   HA3    H   1    4.008     0.007   .   2   .   461   .   .   541   GLY   HA3    .   18004   1    
     482   .   1   1   44   44   GLY   C      C   13   174.684   0.200   .   1   .   462   .   .   541   GLY   C      .   18004   1    
     483   .   1   1   45   45   GLN   N      N   15   119.284   0.028   .   1   .   463   .   .   542   GLN   N      .   18004   1    
     484   .   1   1   45   45   GLN   H      H   1    8.083     0.012   .   1   .   464   .   .   542   GLN   H      .   18004   1    
     485   .   1   1   45   45   GLN   CA     C   13   55.739    0.001   .   1   .   465   .   .   542   GLN   CA     .   18004   1    
     486   .   1   1   45   45   GLN   HA     H   1    4.441     0.019   .   1   .   466   .   .   542   GLN   HA     .   18004   1    
     487   .   1   1   45   45   GLN   CB     C   13   29.521    0.034   .   1   .   467   .   .   542   GLN   CB     .   18004   1    
     488   .   1   1   45   45   GLN   HB2    H   1    2.039     0.020   .   2   .   468   .   .   542   GLN   HB2    .   18004   1    
     489   .   1   1   45   45   GLN   HB3    H   1    2.228     0.003   .   2   .   469   .   .   542   GLN   HB3    .   18004   1    
     490   .   1   1   45   45   GLN   CG     C   13   33.781    0.099   .   1   .   470   .   .   542   GLN   CG     .   18004   1    
     491   .   1   1   45   45   GLN   HG2    H   1    2.375     0.020   .   1   .   471   .   .   542   GLN   HG2    .   18004   1    
     492   .   1   1   45   45   GLN   HG3    H   1    2.375     0.020   .   1   .   472   .   .   542   GLN   HG3    .   18004   1    
     493   .   1   1   45   45   GLN   NE2    N   15   112.662   0.111   .   1   .   473   .   .   542   GLN   NE2    .   18004   1    
     494   .   1   1   45   45   GLN   HE21   H   1    6.850     0.008   .   1   .   474   .   .   542   GLN   HE21   .   18004   1    
     495   .   1   1   45   45   GLN   HE22   H   1    7.550     0.020   .   1   .   475   .   .   542   GLN   HE22   .   18004   1    
     496   .   1   1   45   45   GLN   C      C   13   175.951   0.200   .   1   .   476   .   .   542   GLN   C      .   18004   1    
     497   .   1   1   46   46   SER   N      N   15   117.440   0.123   .   1   .   477   .   .   543   SER   N      .   18004   1    
     498   .   1   1   46   46   SER   H      H   1    8.422     0.020   .   1   .   478   .   .   543   SER   H      .   18004   1    
     499   .   1   1   46   46   SER   CA     C   13   58.430    0.059   .   1   .   479   .   .   543   SER   CA     .   18004   1    
     500   .   1   1   46   46   SER   HA     H   1    4.517     0.002   .   1   .   480   .   .   543   SER   HA     .   18004   1    
     501   .   1   1   46   46   SER   CB     C   13   63.961    0.200   .   1   .   481   .   .   543   SER   CB     .   18004   1    
     502   .   1   1   46   46   SER   HB2    H   1    3.936     0.020   .   1   .   482   .   .   543   SER   HB2    .   18004   1    
     503   .   1   1   46   46   SER   HB3    H   1    3.936     0.020   .   1   .   483   .   .   543   SER   HB3    .   18004   1    
     504   .   1   1   46   46   SER   C      C   13   173.244   0.200   .   1   .   484   .   .   543   SER   C      .   18004   1    
     505   .   1   1   47   47   ALA   N      N   15   131.567   0.010   .   1   .   485   .   .   544   ALA   N      .   18004   1    
     506   .   1   1   47   47   ALA   H      H   1    8.078     0.020   .   1   .   486   .   .   544   ALA   H      .   18004   1    
     507   .   1   1   47   47   ALA   CA     C   13   53.905    0.040   .   1   .   487   .   .   544   ALA   CA     .   18004   1    
     508   .   1   1   47   47   ALA   HA     H   1    4.170     0.003   .   1   .   488   .   .   544   ALA   HA     .   18004   1    
     509   .   1   1   47   47   ALA   HB1    H   1    1.426     0.020   .   1   .   489   .   .   544   ALA   HB1    .   18004   1    
     510   .   1   1   47   47   ALA   HB2    H   1    1.426     0.020   .   1   .   489   .   .   544   ALA   HB2    .   18004   1    
     511   .   1   1   47   47   ALA   HB3    H   1    1.426     0.020   .   1   .   489   .   .   544   ALA   HB3    .   18004   1    

   stop_

save_