###################################
     #  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_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                     50886
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         STRCHExenatide
   _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   $chem_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err            .
   _Assigned_chem_shift_list.Chem_shift_13C_err           .
   _Assigned_chem_shift_list.Chem_shift_15N_err           .
   _Assigned_chem_shift_list.Chem_shift_31P_err           .
   _Assigned_chem_shift_list.Chem_shift_2H_err            .
   _Assigned_chem_shift_list.Chem_shift_19F_err           .
   _Assigned_chem_shift_list.Error_derivation_method      .
   _Assigned_chem_shift_list.Details                      .
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

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

     1   '2D 1H-13C HSQC'                        .   .   .   50886   1    
     2   '2D 1H-15N HSQC'                        .   .   .   50886   1    
     4   '2D 1H-15N HSQC TOCSY'                  .   .   .   50886   1    
     5   '2D 1H-13C HMBC (carbonyl selective)'   .   .   .   50886   1    

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

     1   $software_1   .   .   50886   1    

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
      _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    HIS   HA     H   1    4.339     0.002   .   1   .   .   .   .   .   1    H   HA     .   50886   1    
     2     .   1   .   1   1    1    HIS   HB2    H   1    3.333     0.002   .   2   .   .   .   .   .   1    H   HB2    .   50886   1    
     3     .   1   .   1   1    1    HIS   HD2    H   1    7.323     0.003   .   1   .   .   .   .   .   1    H   HD2    .   50886   1    
     4     .   1   .   1   1    1    HIS   HE1    H   1    8.358     0.003   .   1   .   .   .   .   .   1    H   HE1    .   50886   1    
     5     .   1   .   1   1    1    HIS   C      C   13   172.866   0.001   .   1   .   .   .   .   .   1    H   C      .   50886   1    
     6     .   1   .   1   1    1    HIS   CA     C   13   55.864    0.007   .   1   .   .   .   .   .   1    H   CA     .   50886   1    
     7     .   1   .   1   1    1    HIS   CB     C   13   30.090    0.005   .   1   .   .   .   .   .   1    H   CB     .   50886   1    
     8     .   1   .   1   1    1    HIS   CD2    C   13   120.571   0.010   .   1   .   .   .   .   .   1    H   CD2    .   50886   1    
     9     .   1   .   1   1    1    HIS   CE1    C   13   137.771   0.008   .   1   .   .   .   .   .   1    H   CE1    .   50886   1    
     10    .   1   .   1   2    2    GLY   HA2    H   1    4.093     0.003   .   2   .   .   .   .   .   2    G   HA2    .   50886   1    
     11    .   1   .   1   2    2    GLY   HA3    H   1    3.887     0.004   .   2   .   .   .   .   .   2    G   HA3    .   50886   1    
     12    .   1   .   1   2    2    GLY   C      C   13   174.089   0.007   .   1   .   .   .   .   .   2    G   C      .   50886   1    
     13    .   1   .   1   2    2    GLY   CA     C   13   45.352    0.008   .   1   .   .   .   .   .   2    G   CA     .   50886   1    
     14    .   1   .   1   3    3    GLU   H      H   1    8.902     0.002   .   1   .   .   .   .   .   3    E   H      .   50886   1    
     15    .   1   .   1   3    3    GLU   HA     H   1    4.288     0.006   .   1   .   .   .   .   .   3    E   HA     .   50886   1    
     16    .   1   .   1   3    3    GLU   HB2    H   1    2.066     0.009   .   2   .   .   .   .   .   3    E   HB2    .   50886   1    
     17    .   1   .   1   3    3    GLU   HB3    H   1    2.092     .       .   2   .   .   .   .   .   3    E   HB3    .   50886   1    
     18    .   1   .   1   3    3    GLU   HG2    H   1    2.466     0.003   .   2   .   .   .   .   .   3    E   HG2    .   50886   1    
     19    .   1   .   1   3    3    GLU   HG3    H   1    2.353     0.007   .   2   .   .   .   .   .   3    E   HG3    .   50886   1    
     20    .   1   .   1   3    3    GLU   C      C   13   177.215   0.006   .   1   .   .   .   .   .   3    E   C      .   50886   1    
     21    .   1   .   1   3    3    GLU   CA     C   13   57.976    0.006   .   1   .   .   .   .   .   3    E   CA     .   50886   1    
     22    .   1   .   1   3    3    GLU   CB     C   13   29.346    0.004   .   1   .   .   .   .   .   3    E   CB     .   50886   1    
     23    .   1   .   1   3    3    GLU   CG     C   13   35.936    0.004   .   1   .   .   .   .   .   3    E   CG     .   50886   1    
     24    .   1   .   1   3    3    GLU   N      N   15   121.234   0.008   .   1   .   .   .   .   .   3    E   N      .   50886   1    
     25    .   1   .   1   4    4    GLY   H      H   1    8.457     0.002   .   1   .   .   .   .   .   4    G   H      .   50886   1    
     26    .   1   .   1   4    4    GLY   HA2    H   1    4.011     0.001   .   2   .   .   .   .   .   4    G   HA2    .   50886   1    
     27    .   1   .   1   4    4    GLY   C      C   13   174.376   0.010   .   1   .   .   .   .   .   4    G   C      .   50886   1    
     28    .   1   .   1   4    4    GLY   CA     C   13   45.561    0.010   .   1   .   .   .   .   .   4    G   CA     .   50886   1    
     29    .   1   .   1   4    4    GLY   N      N   15   108.896   .       .   1   .   .   .   .   .   4    G   N      .   50886   1    
     30    .   1   .   1   5    5    THR   H      H   1    7.848     0.003   .   1   .   .   .   .   .   5    T   H      .   50886   1    
     31    .   1   .   1   5    5    THR   HA     H   1    4.351     0.004   .   1   .   .   .   .   .   5    T   HA     .   50886   1    
     32    .   1   .   1   5    5    THR   HB     H   1    4.200     0.003   .   1   .   .   .   .   .   5    T   HB     .   50886   1    
     33    .   1   .   1   5    5    THR   HG21   H   1    1.147     0.003   .   1   .   .   .   .   .   5    T   HG21   .   50886   1    
     34    .   1   .   1   5    5    THR   HG22   H   1    1.147     0.003   .   1   .   .   .   .   .   5    T   HG21   .   50886   1    
     35    .   1   .   1   5    5    THR   HG23   H   1    1.147     0.003   .   1   .   .   .   .   .   5    T   HG21   .   50886   1    
     36    .   1   .   1   5    5    THR   C      C   13   174.619   0.003   .   1   .   .   .   .   .   5    T   C      .   50886   1    
     37    .   1   .   1   5    5    THR   CA     C   13   62.212    0.010   .   1   .   .   .   .   .   5    T   CA     .   50886   1    
     38    .   1   .   1   5    5    THR   CB     C   13   69.942    0.010   .   1   .   .   .   .   .   5    T   CB     .   50886   1    
     39    .   1   .   1   5    5    THR   CG2    C   13   21.348    0.009   .   1   .   .   .   .   .   5    T   CG2    .   50886   1    
     40    .   1   .   1   5    5    THR   N      N   15   112.991   0.006   .   1   .   .   .   .   .   5    T   N      .   50886   1    
     41    .   1   .   1   6    6    PHE   H      H   1    8.157     0.003   .   1   .   .   .   .   .   6    F   H      .   50886   1    
     42    .   1   .   1   6    6    PHE   HA     H   1    4.704     0.005   .   1   .   .   .   .   .   6    F   HA     .   50886   1    
     43    .   1   .   1   6    6    PHE   HB2    H   1    3.224     0.002   .   2   .   .   .   .   .   6    F   HB2    .   50886   1    
     44    .   1   .   1   6    6    PHE   HB3    H   1    3.152     0.005   .   2   .   .   .   .   .   6    F   HB3    .   50886   1    
     45    .   1   .   1   6    6    PHE   HD1    H   1    7.288     0.003   .   3   .   .   .   .   .   6    F   HD1    .   50886   1    
     46    .   1   .   1   6    6    PHE   HE1    H   1    7.111     0.002   .   3   .   .   .   .   .   6    F   HE1    .   50886   1    
     47    .   1   .   1   6    6    PHE   HZ     H   1    7.332     0.004   .   1   .   .   .   .   .   6    F   HZ     .   50886   1    
     48    .   1   .   1   6    6    PHE   C      C   13   176.112   0.006   .   1   .   .   .   .   .   6    F   C      .   50886   1    
     49    .   1   .   1   6    6    PHE   CA     C   13   58.700    0.011   .   1   .   .   .   .   .   6    F   CA     .   50886   1    
     50    .   1   .   1   6    6    PHE   CB     C   13   39.460    0.008   .   1   .   .   .   .   .   6    F   CB     .   50886   1    
     51    .   1   .   1   6    6    PHE   CD1    C   13   131.099   0.006   .   3   .   .   .   .   .   6    F   CD1    .   50886   1    
     52    .   1   .   1   6    6    PHE   CE1    C   13   131.550   0.006   .   3   .   .   .   .   .   6    F   CE1    .   50886   1    
     53    .   1   .   1   6    6    PHE   CZ     C   13   129.286   0.009   .   1   .   .   .   .   .   6    F   CZ     .   50886   1    
     54    .   1   .   1   6    6    PHE   N      N   15   121.588   0.005   .   1   .   .   .   .   .   6    F   N      .   50886   1    
     55    .   1   .   1   7    7    THR   H      H   1    7.858     0.003   .   1   .   .   .   .   .   7    T   H      .   50886   1    
     56    .   1   .   1   7    7    THR   HA     H   1    4.279     0.010   .   1   .   .   .   .   .   7    T   HA     .   50886   1    
     57    .   1   .   1   7    7    THR   HB     H   1    4.293     0.004   .   1   .   .   .   .   .   7    T   HB     .   50886   1    
     58    .   1   .   1   7    7    THR   HG21   H   1    1.234     0.002   .   1   .   .   .   .   .   7    T   HG21   .   50886   1    
     59    .   1   .   1   7    7    THR   HG22   H   1    1.234     0.002   .   1   .   .   .   .   .   7    T   HG21   .   50886   1    
     60    .   1   .   1   7    7    THR   HG23   H   1    1.234     0.002   .   1   .   .   .   .   .   7    T   HG21   .   50886   1    
     61    .   1   .   1   7    7    THR   C      C   13   175.101   0.005   .   1   .   .   .   .   .   7    T   C      .   50886   1    
     62    .   1   .   1   7    7    THR   CA     C   13   62.722    0.003   .   1   .   .   .   .   .   7    T   CA     .   50886   1    
     63    .   1   .   1   7    7    THR   CB     C   13   69.605    0.004   .   1   .   .   .   .   .   7    T   CB     .   50886   1    
     64    .   1   .   1   7    7    THR   CG2    C   13   21.566    0.008   .   1   .   .   .   .   .   7    T   CG2    .   50886   1    
     65    .   1   .   1   7    7    THR   N      N   15   113.174   0.004   .   1   .   .   .   .   .   7    T   N      .   50886   1    
     66    .   1   .   1   8    8    SER   H      H   1    8.084     0.003   .   1   .   .   .   .   .   8    S   H      .   50886   1    
     67    .   1   .   1   8    8    SER   HA     H   1    4.434     0.003   .   1   .   .   .   .   .   8    S   HA     .   50886   1    
     68    .   1   .   1   8    8    SER   HB2    H   1    4.017     0.004   .   2   .   .   .   .   .   8    S   HB2    .   50886   1    
     69    .   1   .   1   8    8    SER   HB3    H   1    3.944     0.004   .   2   .   .   .   .   .   8    S   HB3    .   50886   1    
     70    .   1   .   1   8    8    SER   C      C   13   175.033   0.005   .   1   .   .   .   .   .   8    S   C      .   50886   1    
     71    .   1   .   1   8    8    SER   CA     C   13   59.480    0.003   .   1   .   .   .   .   .   8    S   CA     .   50886   1    
     72    .   1   .   1   8    8    SER   CB     C   13   63.755    0.008   .   1   .   .   .   .   .   8    S   CB     .   50886   1    
     73    .   1   .   1   8    8    SER   N      N   15   117.473   0.011   .   1   .   .   .   .   .   8    S   N      .   50886   1    
     74    .   1   .   1   9    9    ASP   H      H   1    8.289     0.002   .   1   .   .   .   .   .   9    D   H      .   50886   1    
     75    .   1   .   1   9    9    ASP   HA     H   1    4.629     0.005   .   1   .   .   .   .   .   9    D   HA     .   50886   1    
     76    .   1   .   1   9    9    ASP   HB2    H   1    2.800     0.007   .   2   .   .   .   .   .   9    D   HB2    .   50886   1    
     77    .   1   .   1   9    9    ASP   HB3    H   1    2.746     0.012   .   2   .   .   .   .   .   9    D   HB3    .   50886   1    
     78    .   1   .   1   9    9    ASP   C      C   13   177.396   0.004   .   1   .   .   .   .   .   9    D   C      .   50886   1    
     79    .   1   .   1   9    9    ASP   CA     C   13   55.675    0.004   .   1   .   .   .   .   .   9    D   CA     .   50886   1    
     80    .   1   .   1   9    9    ASP   CB     C   13   40.655    0.007   .   1   .   .   .   .   .   9    D   CB     .   50886   1    
     81    .   1   .   1   9    9    ASP   CG     C   13   179.468   0.004   .   1   .   .   .   .   .   9    D   CG     .   50886   1    
     82    .   1   .   1   9    9    ASP   N      N   15   122.151   0.008   .   1   .   .   .   .   .   9    D   N      .   50886   1    
     83    .   1   .   1   10   10   LEU   H      H   1    8.109     0.002   .   1   .   .   .   .   .   10   L   H      .   50886   1    
     84    .   1   .   1   10   10   LEU   HA     H   1    4.237     0.002   .   1   .   .   .   .   .   10   L   HA     .   50886   1    
     85    .   1   .   1   10   10   LEU   HB2    H   1    1.684     0.007   .   2   .   .   .   .   .   10   L   HB2    .   50886   1    
     86    .   1   .   1   10   10   LEU   HG     H   1    1.685     0.002   .   1   .   .   .   .   .   10   L   HG     .   50886   1    
     87    .   1   .   1   10   10   LEU   HD11   H   1    0.903     0.002   .   2   .   .   .   .   .   10   L   HD11   .   50886   1    
     88    .   1   .   1   10   10   LEU   HD12   H   1    0.903     0.002   .   2   .   .   .   .   .   10   L   HD11   .   50886   1    
     89    .   1   .   1   10   10   LEU   HD13   H   1    0.903     0.002   .   2   .   .   .   .   .   10   L   HD11   .   50886   1    
     90    .   1   .   1   10   10   LEU   HD21   H   1    0.950     0.004   .   2   .   .   .   .   .   10   L   HD21   .   50886   1    
     91    .   1   .   1   10   10   LEU   HD22   H   1    0.950     0.004   .   2   .   .   .   .   .   10   L   HD21   .   50886   1    
     92    .   1   .   1   10   10   LEU   HD23   H   1    0.950     0.004   .   2   .   .   .   .   .   10   L   HD21   .   50886   1    
     93    .   1   .   1   10   10   LEU   CA     C   13   57.489    0.009   .   1   .   .   .   .   .   10   L   CA     .   50886   1    
     94    .   1   .   1   10   10   LEU   CB     C   13   42.068    0.007   .   1   .   .   .   .   .   10   L   CB     .   50886   1    
     95    .   1   .   1   10   10   LEU   CG     C   13   27.079    0.004   .   1   .   .   .   .   .   10   L   CG     .   50886   1    
     96    .   1   .   1   10   10   LEU   CD1    C   13   23.901    0.005   .   2   .   .   .   .   .   10   L   CD1    .   50886   1    
     97    .   1   .   1   10   10   LEU   CD2    C   13   23.940    0.008   .   2   .   .   .   .   .   10   L   CD2    .   50886   1    
     98    .   1   .   1   10   10   LEU   N      N   15   122.490   0.010   .   1   .   .   .   .   .   10   L   N      .   50886   1    
     99    .   1   .   1   11   11   SER   H      H   1    8.127     0.003   .   1   .   .   .   .   .   11   S   H      .   50886   1    
     100   .   1   .   1   11   11   SER   HA     H   1    4.213     0.003   .   1   .   .   .   .   .   11   S   HA     .   50886   1    
     101   .   1   .   1   11   11   SER   HB2    H   1    4.043     0.004   .   2   .   .   .   .   .   11   S   HB2    .   50886   1    
     102   .   1   .   1   11   11   SER   HB3    H   1    3.992     0.006   .   2   .   .   .   .   .   11   S   HB3    .   50886   1    
     103   .   1   .   1   11   11   SER   C      C   13   176.347   0.004   .   1   .   .   .   .   .   11   S   C      .   50886   1    
     104   .   1   .   1   11   11   SER   CA     C   13   61.672    0.005   .   1   .   .   .   .   .   11   S   CA     .   50886   1    
     105   .   1   .   1   11   11   SER   CB     C   13   62.888    0.006   .   1   .   .   .   .   .   11   S   CB     .   50886   1    
     106   .   1   .   1   11   11   SER   N      N   15   114.354   0.010   .   1   .   .   .   .   .   11   S   N      .   50886   1    
     107   .   1   .   1   12   12   LYS   H      H   1    7.825     0.002   .   1   .   .   .   .   .   12   K   H      .   50886   1    
     108   .   1   .   1   12   12   LYS   HA     H   1    4.197     0.003   .   1   .   .   .   .   .   12   K   HA     .   50886   1    
     109   .   1   .   1   12   12   LYS   HB2    H   1    1.978     0.002   .   2   .   .   .   .   .   12   K   HB2    .   50886   1    
     110   .   1   .   1   12   12   LYS   HG2    H   1    1.504     0.003   .   2   .   .   .   .   .   12   K   HG2    .   50886   1    
     111   .   1   .   1   12   12   LYS   HG3    H   1    1.598     0.003   .   2   .   .   .   .   .   12   K   HG3    .   50886   1    
     112   .   1   .   1   12   12   LYS   HD2    H   1    1.760     0.005   .   2   .   .   .   .   .   12   K   HD2    .   50886   1    
     113   .   1   .   1   12   12   LYS   HE2    H   1    3.035     0.001   .   2   .   .   .   .   .   12   K   HE2    .   50886   1    
     114   .   1   .   1   12   12   LYS   C      C   13   174.623   .       .   1   .   .   .   .   .   12   K   C      .   50886   1    
     115   .   1   .   1   12   12   LYS   CA     C   13   58.934    0.006   .   1   .   .   .   .   .   12   K   CA     .   50886   1    
     116   .   1   .   1   12   12   LYS   CB     C   13   32.249    0.007   .   1   .   .   .   .   .   12   K   CB     .   50886   1    
     117   .   1   .   1   12   12   LYS   CG     C   13   24.916    0.006   .   1   .   .   .   .   .   12   K   CG     .   50886   1    
     118   .   1   .   1   12   12   LYS   CD     C   13   29.035    0.006   .   1   .   .   .   .   .   12   K   CD     .   50886   1    
     119   .   1   .   1   12   12   LYS   CE     C   13   42.237    0.006   .   1   .   .   .   .   .   12   K   CE     .   50886   1    
     120   .   1   .   1   12   12   LYS   N      N   15   121.908   0.008   .   1   .   .   .   .   .   12   K   N      .   50886   1    
     121   .   1   .   1   13   13   GLN   H      H   1    7.992     0.002   .   1   .   .   .   .   .   13   Q   H      .   50886   1    
     122   .   1   .   1   13   13   GLN   HA     H   1    4.176     0.001   .   1   .   .   .   .   .   13   Q   HA     .   50886   1    
     123   .   1   .   1   13   13   GLN   HB2    H   1    2.232     0.002   .   2   .   .   .   .   .   13   Q   HB2    .   50886   1    
     124   .   1   .   1   13   13   GLN   HB3    H   1    2.258     0.002   .   2   .   .   .   .   .   13   Q   HB3    .   50886   1    
     125   .   1   .   1   13   13   GLN   HG2    H   1    2.458     0.002   .   2   .   .   .   .   .   13   Q   HG2    .   50886   1    
     126   .   1   .   1   13   13   GLN   HG3    H   1    2.434     .       .   2   .   .   .   .   .   13   Q   HG3    .   50886   1    
     127   .   1   .   1   13   13   GLN   HE21   H   1    7.281     0.002   .   2   .   .   .   .   .   13   Q   HE21   .   50886   1    
     128   .   1   .   1   13   13   GLN   HE22   H   1    6.593     0.002   .   2   .   .   .   .   .   13   Q   HE22   .   50886   1    
     129   .   1   .   1   13   13   GLN   CA     C   13   59.050    0.010   .   1   .   .   .   .   .   13   Q   CA     .   50886   1    
     130   .   1   .   1   13   13   GLN   CB     C   13   28.558    0.010   .   1   .   .   .   .   .   13   Q   CB     .   50886   1    
     131   .   1   .   1   13   13   GLN   CG     C   13   34.076    0.007   .   1   .   .   .   .   .   13   Q   CG     .   50886   1    
     132   .   1   .   1   13   13   GLN   N      N   15   118.840   0.009   .   1   .   .   .   .   .   13   Q   N      .   50886   1    
     133   .   1   .   1   13   13   GLN   NE2    N   15   109.848   0.010   .   1   .   .   .   .   .   13   Q   NE2    .   50886   1    
     134   .   1   .   1   14   14   MET   H      H   1    8.299     0.001   .   1   .   .   .   .   .   14   M   H      .   50886   1    
     135   .   1   .   1   14   14   MET   HA     H   1    4.246     0.002   .   1   .   .   .   .   .   14   M   HA     .   50886   1    
     136   .   1   .   1   14   14   MET   HB2    H   1    2.158     0.002   .   2   .   .   .   .   .   14   M   HB2    .   50886   1    
     137   .   1   .   1   14   14   MET   HB3    H   1    2.229     0.002   .   2   .   .   .   .   .   14   M   HB3    .   50886   1    
     138   .   1   .   1   14   14   MET   HG2    H   1    2.593     0.002   .   2   .   .   .   .   .   14   M   HG2    .   50886   1    
     139   .   1   .   1   14   14   MET   HG3    H   1    2.750     0.002   .   2   .   .   .   .   .   14   M   HG3    .   50886   1    
     140   .   1   .   1   14   14   MET   CA     C   13   58.736    0.006   .   1   .   .   .   .   .   14   M   CA     .   50886   1    
     141   .   1   .   1   14   14   MET   CB     C   13   32.600    0.005   .   1   .   .   .   .   .   14   M   CB     .   50886   1    
     142   .   1   .   1   14   14   MET   CG     C   13   32.413    0.006   .   1   .   .   .   .   .   14   M   CG     .   50886   1    
     143   .   1   .   1   14   14   MET   N      N   15   118.423   0.002   .   1   .   .   .   .   .   14   M   N      .   50886   1    
     144   .   1   .   1   15   15   GLU   H      H   1    8.100     0.004   .   1   .   .   .   .   .   15   E   H      .   50886   1    
     145   .   1   .   1   15   15   GLU   HA     H   1    4.080     0.002   .   1   .   .   .   .   .   15   E   HA     .   50886   1    
     146   .   1   .   1   15   15   GLU   HB2    H   1    2.263     0.011   .   2   .   .   .   .   .   15   E   HB2    .   50886   1    
     147   .   1   .   1   15   15   GLU   HB3    H   1    2.198     0.002   .   2   .   .   .   .   .   15   E   HB3    .   50886   1    
     148   .   1   .   1   15   15   GLU   HG2    H   1    2.368     0.005   .   2   .   .   .   .   .   15   E   HG2    .   50886   1    
     149   .   1   .   1   15   15   GLU   HG3    H   1    2.565     0.003   .   2   .   .   .   .   .   15   E   HG3    .   50886   1    
     150   .   1   .   1   15   15   GLU   CA     C   13   59.442    0.008   .   1   .   .   .   .   .   15   E   CA     .   50886   1    
     151   .   1   .   1   15   15   GLU   CB     C   13   28.794    0.006   .   1   .   .   .   .   .   15   E   CB     .   50886   1    
     152   .   1   .   1   15   15   GLU   CG     C   13   34.597    0.005   .   1   .   .   .   .   .   15   E   CG     .   50886   1    
     153   .   1   .   1   15   15   GLU   N      N   15   119.804   0.008   .   1   .   .   .   .   .   15   E   N      .   50886   1    
     154   .   1   .   1   16   16   GLU   H      H   1    8.130     0.001   .   1   .   .   .   .   .   16   E   H      .   50886   1    
     155   .   1   .   1   16   16   GLU   HA     H   1    4.029     0.004   .   1   .   .   .   .   .   16   E   HA     .   50886   1    
     156   .   1   .   1   16   16   GLU   HB2    H   1    2.203     0.005   .   2   .   .   .   .   .   16   E   HB2    .   50886   1    
     157   .   1   .   1   16   16   GLU   HB3    H   1    2.283     0.003   .   2   .   .   .   .   .   16   E   HB3    .   50886   1    
     158   .   1   .   1   16   16   GLU   HG2    H   1    2.385     0.004   .   2   .   .   .   .   .   16   E   HG2    .   50886   1    
     159   .   1   .   1   16   16   GLU   HG3    H   1    2.615     0.003   .   2   .   .   .   .   .   16   E   HG3    .   50886   1    
     160   .   1   .   1   16   16   GLU   CA     C   13   59.610    0.008   .   1   .   .   .   .   .   16   E   CA     .   50886   1    
     161   .   1   .   1   16   16   GLU   CB     C   13   28.861    0.008   .   1   .   .   .   .   .   16   E   CB     .   50886   1    
     162   .   1   .   1   16   16   GLU   CG     C   13   35.451    0.010   .   1   .   .   .   .   .   16   E   CG     .   50886   1    
     163   .   1   .   1   16   16   GLU   N      N   15   117.767   0.005   .   1   .   .   .   .   .   16   E   N      .   50886   1    
     164   .   1   .   1   17   17   GLU   H      H   1    8.107     0.001   .   1   .   .   .   .   .   17   E   H      .   50886   1    
     165   .   1   .   1   17   17   GLU   HA     H   1    4.195     0.004   .   1   .   .   .   .   .   17   E   HA     .   50886   1    
     166   .   1   .   1   17   17   GLU   HB2    H   1    2.243     0.003   .   2   .   .   .   .   .   17   E   HB2    .   50886   1    
     167   .   1   .   1   17   17   GLU   HG2    H   1    2.501     0.001   .   2   .   .   .   .   .   17   E   HG2    .   50886   1    
     168   .   1   .   1   17   17   GLU   CA     C   13   59.074    0.006   .   1   .   .   .   .   .   17   E   CA     .   50886   1    
     169   .   1   .   1   17   17   GLU   CB     C   13   28.587    0.008   .   1   .   .   .   .   .   17   E   CB     .   50886   1    
     170   .   1   .   1   17   17   GLU   CG     C   13   34.131    0.008   .   1   .   .   .   .   .   17   E   CG     .   50886   1    
     171   .   1   .   1   17   17   GLU   N      N   15   118.856   0.006   .   1   .   .   .   .   .   17   E   N      .   50886   1    
     172   .   1   .   1   18   18   ALA   H      H   1    8.106     0.003   .   1   .   .   .   .   .   18   A   H      .   50886   1    
     173   .   1   .   1   18   18   ALA   HA     H   1    4.129     0.002   .   1   .   .   .   .   .   18   A   HA     .   50886   1    
     174   .   1   .   1   18   18   ALA   HB1    H   1    1.599     0.003   .   1   .   .   .   .   .   18   A   HB2    .   50886   1    
     175   .   1   .   1   18   18   ALA   HB2    H   1    1.599     0.003   .   1   .   .   .   .   .   18   A   HB2    .   50886   1    
     176   .   1   .   1   18   18   ALA   HB3    H   1    1.599     0.003   .   1   .   .   .   .   .   18   A   HB2    .   50886   1    
     177   .   1   .   1   18   18   ALA   CA     C   13   55.706    0.005   .   1   .   .   .   .   .   18   A   CA     .   50886   1    
     178   .   1   .   1   18   18   ALA   CB     C   13   17.755    0.004   .   1   .   .   .   .   .   18   A   CB     .   50886   1    
     179   .   1   .   1   18   18   ALA   N      N   15   121.505   0.004   .   1   .   .   .   .   .   18   A   N      .   50886   1    
     180   .   1   .   1   19   19   VAL   H      H   1    8.039     0.004   .   1   .   .   .   .   .   19   V   H      .   50886   1    
     181   .   1   .   1   19   19   VAL   HA     H   1    3.789     0.005   .   1   .   .   .   .   .   19   V   HA     .   50886   1    
     182   .   1   .   1   19   19   VAL   HB     H   1    2.273     0.003   .   1   .   .   .   .   .   19   V   HB     .   50886   1    
     183   .   1   .   1   19   19   VAL   HG11   H   1    1.146     0.003   .   2   .   .   .   .   .   19   V   HG11   .   50886   1    
     184   .   1   .   1   19   19   VAL   HG12   H   1    1.146     0.003   .   2   .   .   .   .   .   19   V   HG11   .   50886   1    
     185   .   1   .   1   19   19   VAL   HG13   H   1    1.146     0.003   .   2   .   .   .   .   .   19   V   HG11   .   50886   1    
     186   .   1   .   1   19   19   VAL   HG21   H   1    1.074     0.002   .   2   .   .   .   .   .   19   V   HG21   .   50886   1    
     187   .   1   .   1   19   19   VAL   HG22   H   1    1.074     0.002   .   2   .   .   .   .   .   19   V   HG21   .   50886   1    
     188   .   1   .   1   19   19   VAL   HG23   H   1    1.074     0.002   .   2   .   .   .   .   .   19   V   HG21   .   50886   1    
     189   .   1   .   1   19   19   VAL   CA     C   13   66.946    0.007   .   1   .   .   .   .   .   19   V   CA     .   50886   1    
     190   .   1   .   1   19   19   VAL   CB     C   13   31.791    0.009   .   1   .   .   .   .   .   19   V   CB     .   50886   1    
     191   .   1   .   1   19   19   VAL   CG1    C   13   22.655    0.008   .   2   .   .   .   .   .   19   V   CG1    .   50886   1    
     192   .   1   .   1   19   19   VAL   CG2    C   13   21.092    0.006   .   2   .   .   .   .   .   19   V   CG2    .   50886   1    
     193   .   1   .   1   19   19   VAL   N      N   15   117.985   0.001   .   1   .   .   .   .   .   19   V   N      .   50886   1    
     194   .   1   .   1   20   20   ARG   H      H   1    8.100     0.001   .   1   .   .   .   .   .   20   R   H      .   50886   1    
     195   .   1   .   1   20   20   ARG   HA     H   1    4.025     0.002   .   1   .   .   .   .   .   20   R   HA     .   50886   1    
     196   .   1   .   1   20   20   ARG   HB2    H   1    2.065     0.003   .   2   .   .   .   .   .   20   R   HB2    .   50886   1    
     197   .   1   .   1   20   20   ARG   HG2    H   1    1.899     0.004   .   2   .   .   .   .   .   20   R   HG2    .   50886   1    
     198   .   1   .   1   20   20   ARG   HG3    H   1    1.687     0.006   .   2   .   .   .   .   .   20   R   HG3    .   50886   1    
     199   .   1   .   1   20   20   ARG   HD2    H   1    3.277     0.006   .   2   .   .   .   .   .   20   R   HD2    .   50886   1    
     200   .   1   .   1   20   20   ARG   HE     H   1    7.595     0.005   .   1   .   .   .   .   .   20   R   HE     .   50886   1    
     201   .   1   .   1   20   20   ARG   CA     C   13   60.320    0.005   .   1   .   .   .   .   .   20   R   CA     .   50886   1    
     202   .   1   .   1   20   20   ARG   CB     C   13   29.929    0.008   .   1   .   .   .   .   .   20   R   CB     .   50886   1    
     203   .   1   .   1   20   20   ARG   CG     C   13   28.005    0.008   .   1   .   .   .   .   .   20   R   CG     .   50886   1    
     204   .   1   .   1   20   20   ARG   CD     C   13   43.374    0.007   .   1   .   .   .   .   .   20   R   CD     .   50886   1    
     205   .   1   .   1   20   20   ARG   N      N   15   119.320   0.008   .   1   .   .   .   .   .   20   R   N      .   50886   1    
     206   .   1   .   1   20   20   ARG   NE     N   15   83.653    .       .   1   .   .   .   .   .   20   R   NE     .   50886   1    
     207   .   1   .   1   21   21   LEU   H      H   1    8.373     0.003   .   1   .   .   .   .   .   21   L   H      .   50886   1    
     208   .   1   .   1   21   21   LEU   HA     H   1    4.179     0.003   .   1   .   .   .   .   .   21   L   HA     .   50886   1    
     209   .   1   .   1   21   21   LEU   HB2    H   1    2.028     0.006   .   2   .   .   .   .   .   21   L   HB2    .   50886   1    
     210   .   1   .   1   21   21   LEU   HB3    H   1    1.585     0.004   .   2   .   .   .   .   .   21   L   HB3    .   50886   1    
     211   .   1   .   1   21   21   LEU   HG     H   1    1.920     .       .   1   .   .   .   .   .   21   L   HG     .   50886   1    
     212   .   1   .   1   21   21   LEU   HD11   H   1    0.970     0.002   .   2   .   .   .   .   .   21   L   HD11   .   50886   1    
     213   .   1   .   1   21   21   LEU   HD12   H   1    0.970     0.002   .   2   .   .   .   .   .   21   L   HD11   .   50886   1    
     214   .   1   .   1   21   21   LEU   HD13   H   1    0.970     0.002   .   2   .   .   .   .   .   21   L   HD11   .   50886   1    
     215   .   1   .   1   21   21   LEU   HD21   H   1    0.940     0.001   .   2   .   .   .   .   .   21   L   HD21   .   50886   1    
     216   .   1   .   1   21   21   LEU   HD22   H   1    0.940     0.001   .   2   .   .   .   .   .   21   L   HD21   .   50886   1    
     217   .   1   .   1   21   21   LEU   HD23   H   1    0.940     0.001   .   2   .   .   .   .   .   21   L   HD21   .   50886   1    
     218   .   1   .   1   21   21   LEU   CA     C   13   58.077    0.008   .   .   .   .   .   .   .   21   L   CA     .   50886   1    
     219   .   1   .   1   21   21   LEU   CB     C   13   42.069    0.011   .   .   .   .   .   .   .   21   L   CB     .   50886   1    
     220   .   1   .   1   21   21   LEU   CG     C   13   27.043    .       .   .   .   .   .   .   .   21   L   CG     .   50886   1    
     221   .   1   .   1   21   21   LEU   CD1    C   13   24.870    0.002   .   2   .   .   .   .   .   21   L   CD1    .   50886   1    
     222   .   1   .   1   21   21   LEU   CD2    C   13   22.944    0.003   .   2   .   .   .   .   .   21   L   CD2    .   50886   1    
     223   .   1   .   1   21   21   LEU   N      N   15   118.928   0.009   .   1   .   .   .   .   .   21   L   N      .   50886   1    
     224   .   1   .   1   22   22   PHE   H      H   1    8.287     0.001   .   1   .   .   .   .   .   22   F   H      .   50886   1    
     225   .   1   .   1   22   22   PHE   HA     H   1    4.256     0.002   .   1   .   .   .   .   .   22   F   HA     .   50886   1    
     226   .   1   .   1   22   22   PHE   HB2    H   1    3.410     0.006   .   2   .   .   .   .   .   22   F   HB2    .   50886   1    
     227   .   1   .   1   22   22   PHE   HB3    H   1    3.262     0.003   .   2   .   .   .   .   .   22   F   HB3    .   50886   1    
     228   .   1   .   1   22   22   PHE   HD1    H   1    7.353     0.002   .   3   .   .   .   .   .   22   F   HD1    .   50886   1    
     229   .   1   .   1   22   22   PHE   HE1    H   1    7.301     0.001   .   3   .   .   .   .   .   22   F   HE1    .   50886   1    
     230   .   1   .   1   22   22   PHE   HZ     H   1    7.297     .       .   1   .   .   .   .   .   22   F   HZ     .   50886   1    
     231   .   1   .   1   22   22   PHE   CA     C   13   62.164    0.005   .   1   .   .   .   .   .   22   F   CA     .   50886   1    
     232   .   1   .   1   22   22   PHE   CB     C   13   39.427    0.010   .   1   .   .   .   .   .   22   F   CB     .   50886   1    
     233   .   1   .   1   22   22   PHE   CD1    C   13   131.379   0.006   .   3   .   .   .   .   .   22   F   CD1    .   50886   1    
     234   .   1   .   1   22   22   PHE   CE1    C   13   131.859   0.003   .   3   .   .   .   .   .   22   F   CE1    .   50886   1    
     235   .   1   .   1   22   22   PHE   CZ     C   13   129.805   .       .   1   .   .   .   .   .   22   F   CZ     .   50886   1    
     236   .   1   .   1   22   22   PHE   N      N   15   121.970   0.002   .   1   .   .   .   .   .   22   F   N      .   50886   1    
     237   .   1   .   1   23   23   ILE   H      H   1    8.709     0.001   .   1   .   .   .   .   .   23   I   H      .   50886   1    
     238   .   1   .   1   23   23   ILE   HA     H   1    3.698     0.005   .   1   .   .   .   .   .   23   I   HA     .   50886   1    
     239   .   1   .   1   23   23   ILE   HB     H   1    2.158     0.001   .   1   .   .   .   .   .   23   I   HB     .   50886   1    
     240   .   1   .   1   23   23   ILE   HG12   H   1    1.383     0.002   .   2   .   .   .   .   .   23   I   HG12   .   50886   1    
     241   .   1   .   1   23   23   ILE   HG13   H   1    1.976     0.002   .   2   .   .   .   .   .   23   I   HG13   .   50886   1    
     242   .   1   .   1   23   23   ILE   HG21   H   1    0.977     0.005   .   1   .   .   .   .   .   23   I   HG21   .   50886   1    
     243   .   1   .   1   23   23   ILE   HG22   H   1    0.977     0.005   .   1   .   .   .   .   .   23   I   HG21   .   50886   1    
     244   .   1   .   1   23   23   ILE   HG23   H   1    0.977     0.005   .   1   .   .   .   .   .   23   I   HG21   .   50886   1    
     245   .   1   .   1   23   23   ILE   HD11   H   1    0.927     0.002   .   1   .   .   .   .   .   23   I   HD11   .   50886   1    
     246   .   1   .   1   23   23   ILE   HD12   H   1    0.927     0.002   .   1   .   .   .   .   .   23   I   HD11   .   50886   1    
     247   .   1   .   1   23   23   ILE   HD13   H   1    0.927     0.002   .   1   .   .   .   .   .   23   I   HD11   .   50886   1    
     248   .   1   .   1   23   23   ILE   C      C   13   175.028   .       .   1   .   .   .   .   .   23   I   C      .   50886   1    
     249   .   1   .   1   23   23   ILE   CA     C   13   65.275    0.005   .   1   .   .   .   .   .   23   I   CA     .   50886   1    
     250   .   1   .   1   23   23   ILE   CB     C   13   37.350    0.005   .   1   .   .   .   .   .   23   I   CB     .   50886   1    
     251   .   1   .   1   23   23   ILE   CG1    C   13   29.119    0.009   .   1   .   .   .   .   .   23   I   CG1    .   50886   1    
     252   .   1   .   1   23   23   ILE   CG2    C   13   17.041    0.011   .   1   .   .   .   .   .   23   I   CG2    .   50886   1    
     253   .   1   .   1   23   23   ILE   CD1    C   13   12.200    0.009   .   1   .   .   .   .   .   23   I   CD1    .   50886   1    
     254   .   1   .   1   23   23   ILE   N      N   15   119.284   0.008   .   1   .   .   .   .   .   23   I   N      .   50886   1    
     255   .   1   .   1   24   24   GLU   H      H   1    8.282     0.003   .   1   .   .   .   .   .   24   E   H      .   50886   1    
     256   .   1   .   1   24   24   GLU   HA     H   1    4.019     0.002   .   1   .   .   .   .   .   24   E   HA     .   50886   1    
     257   .   1   .   1   24   24   GLU   HB2    H   1    2.257     0.004   .   2   .   .   .   .   .   24   E   HB2    .   50886   1    
     258   .   1   .   1   24   24   GLU   HG2    H   1    2.493     0.001   .   2   .   .   .   .   .   24   E   HG2    .   50886   1    
     259   .   1   .   1   24   24   GLU   HG3    H   1    2.467     0.003   .   2   .   .   .   .   .   24   E   HG3    .   50886   1    
     260   .   1   .   1   24   24   GLU   CA     C   13   59.725    0.006   .   1   .   .   .   .   .   24   E   CA     .   50886   1    
     261   .   1   .   1   24   24   GLU   CB     C   13   28.690    0.009   .   1   .   .   .   .   .   24   E   CB     .   50886   1    
     262   .   1   .   1   24   24   GLU   CG     C   13   35.139    0.003   .   1   .   .   .   .   .   24   E   CG     .   50886   1    
     263   .   1   .   1   24   24   GLU   N      N   15   119.676   0.005   .   1   .   .   .   .   .   24   E   N      .   50886   1    
     264   .   1   .   1   25   25   TRP   H      H   1    8.415     0.003   .   1   .   .   .   .   .   25   W   H      .   50886   1    
     265   .   1   .   1   25   25   TRP   HA     H   1    4.262     0.004   .   1   .   .   .   .   .   25   W   HA     .   50886   1    
     266   .   1   .   1   25   25   TRP   HB2    H   1    3.771     0.008   .   2   .   .   .   .   .   25   W   HB2    .   50886   1    
     267   .   1   .   1   25   25   TRP   HB3    H   1    3.249     0.002   .   2   .   .   .   .   .   25   W   HB3    .   50886   1    
     268   .   1   .   1   25   25   TRP   HD1    H   1    7.118     0.002   .   1   .   .   .   .   .   25   W   HD1    .   50886   1    
     269   .   1   .   1   25   25   TRP   HE1    H   1    9.739     0.002   .   1   .   .   .   .   .   25   W   HE1    .   50886   1    
     270   .   1   .   1   25   25   TRP   HE3    H   1    7.260     0.009   .   1   .   .   .   .   .   25   W   HE3    .   50886   1    
     271   .   1   .   1   25   25   TRP   HZ2    H   1    7.275     0.003   .   1   .   .   .   .   .   25   W   HZ2    .   50886   1    
     272   .   1   .   1   25   25   TRP   HZ3    H   1    7.025     0.002   .   1   .   .   .   .   .   25   W   HZ3    .   50886   1    
     273   .   1   .   1   25   25   TRP   HH2    H   1    7.124     0.001   .   1   .   .   .   .   .   25   W   HH2    .   50886   1    
     274   .   1   .   1   25   25   TRP   CA     C   13   61.933    0.009   .   1   .   .   .   .   .   25   W   CA     .   50886   1    
     275   .   1   .   1   25   25   TRP   CB     C   13   27.927    0.005   .   1   .   .   .   .   .   25   W   CB     .   50886   1    
     276   .   1   .   1   25   25   TRP   CD1    C   13   127.300   0.006   .   1   .   .   .   .   .   25   W   CD1    .   50886   1    
     277   .   1   .   1   25   25   TRP   CE3    C   13   121.015   0.008   .   1   .   .   .   .   .   25   W   CE3    .   50886   1    
     278   .   1   .   1   25   25   TRP   CZ2    C   13   113.956   0.008   .   1   .   .   .   .   .   25   W   CZ2    .   50886   1    
     279   .   1   .   1   25   25   TRP   CZ3    C   13   122.334   0.007   .   1   .   .   .   .   .   25   W   CZ3    .   50886   1    
     280   .   1   .   1   25   25   TRP   CH2    C   13   123.426   0.005   .   1   .   .   .   .   .   25   W   CH2    .   50886   1    
     281   .   1   .   1   25   25   TRP   N      N   15   122.081   0.007   .   1   .   .   .   .   .   25   W   N      .   50886   1    
     282   .   1   .   1   25   25   TRP   NE1    N   15   130.870   .       .   1   .   .   .   .   .   25   W   NE1    .   50886   1    
     283   .   1   .   1   26   26   LEU   H      H   1    8.601     .       .   1   .   .   .   .   .   26   L   H      .   50886   1    
     284   .   1   .   1   26   26   LEU   HA     H   1    3.397     0.005   .   1   .   .   .   .   .   26   L   HA     .   50886   1    
     285   .   1   .   1   26   26   LEU   HB2    H   1    1.922     0.003   .   2   .   .   .   .   .   26   L   HB2    .   50886   1    
     286   .   1   .   1   26   26   LEU   HB3    H   1    1.384     0.006   .   2   .   .   .   .   .   26   L   HB3    .   50886   1    
     287   .   1   .   1   26   26   LEU   HG     H   1    1.607     0.001   .   1   .   .   .   .   .   26   L   HG     .   50886   1    
     288   .   1   .   1   26   26   LEU   HD11   H   1    0.766     0.002   .   2   .   .   .   .   .   26   L   HD11   .   50886   1    
     289   .   1   .   1   26   26   LEU   HD12   H   1    0.766     0.002   .   2   .   .   .   .   .   26   L   HD11   .   50886   1    
     290   .   1   .   1   26   26   LEU   HD13   H   1    0.766     0.002   .   2   .   .   .   .   .   26   L   HD11   .   50886   1    
     291   .   1   .   1   26   26   LEU   HD21   H   1    0.799     0.002   .   2   .   .   .   .   .   26   L   HD21   .   50886   1    
     292   .   1   .   1   26   26   LEU   HD22   H   1    0.799     0.002   .   2   .   .   .   .   .   26   L   HD21   .   50886   1    
     293   .   1   .   1   26   26   LEU   HD23   H   1    0.799     0.002   .   2   .   .   .   .   .   26   L   HD21   .   50886   1    
     294   .   1   .   1   26   26   LEU   CA     C   13   58.415    0.006   .   1   .   .   .   .   .   26   L   CA     .   50886   1    
     295   .   1   .   1   26   26   LEU   CB     C   13   42.089    0.008   .   1   .   .   .   .   .   26   L   CB     .   50886   1    
     296   .   1   .   1   26   26   LEU   CG     C   13   26.113    0.010   .   1   .   .   .   .   .   26   L   CG     .   50886   1    
     297   .   1   .   1   26   26   LEU   CD1    C   13   23.199    0.009   .   2   .   .   .   .   .   26   L   CD1    .   50886   1    
     298   .   1   .   1   26   26   LEU   CD2    C   13   25.074    0.005   .   2   .   .   .   .   .   26   L   CD2    .   50886   1    
     299   .   1   .   1   26   26   LEU   N      N   15   121.111   0.006   .   1   .   .   .   .   .   26   L   N      .   50886   1    
     300   .   1   .   1   27   27   LYS   H      H   1    8.826     0.004   .   1   .   .   .   .   .   27   K   H      .   50886   1    
     301   .   1   .   1   27   27   LYS   HA     H   1    3.928     0.004   .   1   .   .   .   .   .   27   K   HA     .   50886   1    
     302   .   1   .   1   27   27   LYS   HB2    H   1    1.965     0.004   .   2   .   .   .   .   .   27   K   HB2    .   50886   1    
     303   .   1   .   1   27   27   LYS   HB3    H   1    1.915     0.002   .   2   .   .   .   .   .   27   K   HB3    .   50886   1    
     304   .   1   .   1   27   27   LYS   HG2    H   1    1.664     0.004   .   2   .   .   .   .   .   27   K   HG2    .   50886   1    
     305   .   1   .   1   27   27   LYS   HG3    H   1    1.488     0.008   .   2   .   .   .   .   .   27   K   HG3    .   50886   1    
     306   .   1   .   1   27   27   LYS   HD2    H   1    1.682     0.003   .   2   .   .   .   .   .   27   K   HD2    .   50886   1    
     307   .   1   .   1   27   27   LYS   HD3    H   1    1.659     0.001   .   2   .   .   .   .   .   27   K   HD3    .   50886   1    
     308   .   1   .   1   27   27   LYS   HE2    H   1    2.954     0.003   .   2   .   .   .   .   .   27   K   HE2    .   50886   1    
     309   .   1   .   1   27   27   LYS   CA     C   13   59.227    0.008   .   1   .   .   .   .   .   27   K   CA     .   50886   1    
     310   .   1   .   1   27   27   LYS   CB     C   13   32.261    0.004   .   1   .   .   .   .   .   27   K   CB     .   50886   1    
     311   .   1   .   1   27   27   LYS   CG     C   13   25.020    0.003   .   1   .   .   .   .   .   27   K   CG     .   50886   1    
     312   .   1   .   1   27   27   LYS   CD     C   13   29.489    0.006   .   1   .   .   .   .   .   27   K   CD     .   50886   1    
     313   .   1   .   1   27   27   LYS   CE     C   13   41.909    0.007   .   1   .   .   .   .   .   27   K   CE     .   50886   1    
     314   .   1   .   1   27   27   LYS   N      N   15   120.217   0.007   .   1   .   .   .   .   .   27   K   N      .   50886   1    
     315   .   1   .   1   28   28   ASN   H      H   1    7.595     0.004   .   1   .   .   .   .   .   28   N   H      .   50886   1    
     316   .   1   .   1   28   28   ASN   HA     H   1    4.760     0.005   .   1   .   .   .   .   .   28   N   HA     .   50886   1    
     317   .   1   .   1   28   28   ASN   HB2    H   1    2.988     .       .   2   .   .   .   .   .   28   N   HB2    .   50886   1    
     318   .   1   .   1   28   28   ASN   HB3    H   1    2.767     .       .   2   .   .   .   .   .   28   N   HB3    .   50886   1    
     319   .   1   .   1   28   28   ASN   HD21   H   1    6.879     .       .   2   .   .   .   .   .   28   N   HD21   .   50886   1    
     320   .   1   .   1   28   28   ASN   HD22   H   1    7.612     .       .   2   .   .   .   .   .   28   N   HD22   .   50886   1    
     321   .   1   .   1   28   28   ASN   CA     C   13   53.515    0.008   .   1   .   .   .   .   .   28   N   CA     .   50886   1    
     322   .   1   .   1   28   28   ASN   CB     C   13   39.395    0.005   .   1   .   .   .   .   .   28   N   CB     .   50886   1    
     323   .   1   .   1   28   28   ASN   N      N   15   115.675   0.005   .   1   .   .   .   .   .   28   N   N      .   50886   1    
     324   .   1   .   1   28   28   ASN   ND2    N   15   112.791   0.008   .   1   .   .   .   .   .   28   N   ND2    .   50886   1    
     325   .   1   .   1   29   29   GLY   H      H   1    7.674     0.002   .   1   .   .   .   .   .   29   G   H      .   50886   1    
     326   .   1   .   1   29   29   GLY   HA2    H   1    4.163     .       .   2   .   .   .   .   .   29   G   HA2    .   50886   1    
     327   .   1   .   1   29   29   GLY   HA3    H   1    3.550     0.007   .   2   .   .   .   .   .   29   G   HA3    .   50886   1    
     328   .   1   .   1   29   29   GLY   CA     C   13   44.848    0.007   .   1   .   .   .   .   .   29   G   CA     .   50886   1    
     329   .   1   .   1   29   29   GLY   N      N   15   106.026   .       .   1   .   .   .   .   .   29   G   N      .   50886   1    
     330   .   1   .   1   30   30   GLY   H      H   1    8.195     0.002   .   1   .   .   .   .   .   30   G   H      .   50886   1    
     331   .   1   .   1   30   30   GLY   HA2    H   1    2.757     0.005   .   2   .   .   .   .   .   30   G   HA2    .   50886   1    
     332   .   1   .   1   30   30   GLY   HA3    H   1    1.628     0.007   .   2   .   .   .   .   .   30   G   HA3    .   50886   1    
     333   .   1   .   1   30   30   GLY   CA     C   13   44.245    0.003   .   1   .   .   .   .   .   30   G   CA     .   50886   1    
     334   .   1   .   1   30   30   GLY   N      N   15   111.444   0.006   .   1   .   .   .   .   .   30   G   N      .   50886   1    
     335   .   1   .   1   31   31   PRO   HA     H   1    4.487     0.003   .   1   .   .   .   .   .   31   P   HA     .   50886   1    
     336   .   1   .   1   31   31   PRO   HB2    H   1    2.415     0.002   .   2   .   .   .   .   .   31   P   HB2    .   50886   1    
     337   .   1   .   1   31   31   PRO   HB3    H   1    2.017     0.001   .   2   .   .   .   .   .   31   P   HB3    .   50886   1    
     338   .   1   .   1   31   31   PRO   HG2    H   1    2.057     0.003   .   2   .   .   .   .   .   31   P   HG2    .   50886   1    
     339   .   1   .   1   31   31   PRO   HG3    H   1    1.968     0.002   .   2   .   .   .   .   .   31   P   HG3    .   50886   1    
     340   .   1   .   1   31   31   PRO   HD2    H   1    2.973     0.009   .   2   .   .   .   .   .   31   P   HD2    .   50886   1    
     341   .   1   .   1   31   31   PRO   HD3    H   1    3.589     0.004   .   2   .   .   .   .   .   31   P   HD3    .   50886   1    
     342   .   1   .   1   31   31   PRO   C      C   13   177.651   0.010   .   1   .   .   .   .   .   31   P   C      .   50886   1    
     343   .   1   .   1   31   31   PRO   CA     C   13   64.884    0.003   .   1   .   .   .   .   .   31   P   CA     .   50886   1    
     344   .   1   .   1   31   31   PRO   CB     C   13   31.694    0.006   .   1   .   .   .   .   .   31   P   CB     .   50886   1    
     345   .   1   .   1   31   31   PRO   CG     C   13   26.953    0.008   .   1   .   .   .   .   .   31   P   CG     .   50886   1    
     346   .   1   .   1   31   31   PRO   CD     C   13   50.447    0.007   .   1   .   .   .   .   .   31   P   CD     .   50886   1    
     347   .   1   .   1   32   32   SER   H      H   1    7.679     0.003   .   1   .   .   .   .   .   32   S   H      .   50886   1    
     348   .   1   .   1   32   32   SER   HA     H   1    4.434     0.004   .   1   .   .   .   .   .   32   S   HA     .   50886   1    
     349   .   1   .   1   32   32   SER   HB2    H   1    3.971     0.004   .   2   .   .   .   .   .   32   S   HB2    .   50886   1    
     350   .   1   .   1   32   32   SER   HB3    H   1    3.912     0.006   .   2   .   .   .   .   .   32   S   HB3    .   50886   1    
     351   .   1   .   1   32   32   SER   C      C   13   174.851   0.006   .   1   .   .   .   .   .   32   S   C      .   50886   1    
     352   .   1   .   1   32   32   SER   CA     C   13   59.603    0.002   .   1   .   .   .   .   .   32   S   CA     .   50886   1    
     353   .   1   .   1   32   32   SER   CB     C   13   63.439    0.003   .   1   .   .   .   .   .   32   S   CB     .   50886   1    
     354   .   1   .   1   32   32   SER   N      N   15   112.414   0.005   .   1   .   .   .   .   .   32   S   N      .   50886   1    
     355   .   1   .   1   33   33   SER   H      H   1    8.011     0.003   .   1   .   .   .   .   .   33   S   H      .   50886   1    
     356   .   1   .   1   33   33   SER   HA     H   1    4.351     0.002   .   1   .   .   .   .   .   33   S   HA     .   50886   1    
     357   .   1   .   1   33   33   SER   HB2    H   1    3.992     0.002   .   2   .   .   .   .   .   33   S   HB2    .   50886   1    
     358   .   1   .   1   33   33   SER   HB3    H   1    3.804     0.007   .   2   .   .   .   .   .   33   S   HB3    .   50886   1    
     359   .   1   .   1   33   33   SER   C      C   13   175.392   0.004   .   1   .   .   .   .   .   33   S   C      .   50886   1    
     360   .   1   .   1   33   33   SER   CA     C   13   59.726    0.006   .   1   .   .   .   .   .   33   S   CA     .   50886   1    
     361   .   1   .   1   33   33   SER   CB     C   13   64.900    0.006   .   1   .   .   .   .   .   33   S   CB     .   50886   1    
     362   .   1   .   1   33   33   SER   N      N   15   116.577   0.005   .   1   .   .   .   .   .   33   S   N      .   50886   1    
     363   .   1   .   1   34   34   GLY   H      H   1    7.880     0.005   .   1   .   .   .   .   .   34   G   H      .   50886   1    
     364   .   1   .   1   34   34   GLY   HA2    H   1    4.240     0.003   .   2   .   .   .   .   .   34   G   HA2    .   50886   1    
     365   .   1   .   1   34   34   GLY   HA3    H   1    3.844     0.003   .   2   .   .   .   .   .   34   G   HA3    .   50886   1    
     366   .   1   .   1   34   34   GLY   C      C   13   172.820   0.004   .   1   .   .   .   .   .   34   G   C      .   50886   1    
     367   .   1   .   1   34   34   GLY   CA     C   13   45.391    0.009   .   1   .   .   .   .   .   34   G   CA     .   50886   1    
     368   .   1   .   1   34   34   GLY   N      N   15   109.324   .       .   1   .   .   .   .   .   34   G   N      .   50886   1    
     369   .   1   .   1   35   35   ALA   H      H   1    8.017     0.003   .   1   .   .   .   .   .   35   A   H      .   50886   1    
     370   .   1   .   1   35   35   ALA   HA     H   1    4.856     0.003   .   1   .   .   .   .   .   35   A   HA     .   50886   1    
     371   .   1   .   1   35   35   ALA   HB1    H   1    1.468     0.001   .   1   .   .   .   .   .   35   A   HB2    .   50886   1    
     372   .   1   .   1   35   35   ALA   HB2    H   1    1.468     0.001   .   1   .   .   .   .   .   35   A   HB2    .   50886   1    
     373   .   1   .   1   35   35   ALA   HB3    H   1    1.468     0.001   .   1   .   .   .   .   .   35   A   HB2    .   50886   1    
     374   .   1   .   1   35   35   ALA   C      C   13   175.291   .       .   1   .   .   .   .   .   35   A   C      .   50886   1    
     375   .   1   .   1   35   35   ALA   CA     C   13   49.619    0.009   .   1   .   .   .   .   .   35   A   CA     .   50886   1    
     376   .   1   .   1   35   35   ALA   CB     C   13   18.865    0.008   .   1   .   .   .   .   .   35   A   CB     .   50886   1    
     377   .   1   .   1   35   35   ALA   N      N   15   123.792   0.009   .   1   .   .   .   .   .   35   A   N      .   50886   1    
     378   .   1   .   1   36   36   PRO   HA     H   1    4.646     0.005   .   1   .   .   .   .   .   36   P   HA     .   50886   1    
     379   .   1   .   1   36   36   PRO   HB2    H   1    1.891     0.005   .   2   .   .   .   .   .   36   P   HB2    .   50886   1    
     380   .   1   .   1   36   36   PRO   HB3    H   1    2.224     0.003   .   2   .   .   .   .   .   36   P   HB3    .   50886   1    
     381   .   1   .   1   36   36   PRO   HG2    H   1    2.022     .       .   2   .   .   .   .   .   36   P   HG2    .   50886   1    
     382   .   1   .   1   36   36   PRO   HD2    H   1    3.838     0.002   .   2   .   .   .   .   .   36   P   HD2    .   50886   1    
     383   .   1   .   1   36   36   PRO   HD3    H   1    3.672     0.002   .   2   .   .   .   .   .   36   P   HD3    .   50886   1    
     384   .   1   .   1   36   36   PRO   C      C   13   173.325   .       .   1   .   .   .   .   .   36   P   C      .   50886   1    
     385   .   1   .   1   36   36   PRO   CA     C   13   61.197    0.006   .   1   .   .   .   .   .   36   P   CA     .   50886   1    
     386   .   1   .   1   36   36   PRO   CB     C   13   30.337    0.009   .   1   .   .   .   .   .   36   P   CB     .   50886   1    
     387   .   1   .   1   36   36   PRO   CG     C   13   26.866    0.010   .   1   .   .   .   .   .   36   P   CG     .   50886   1    
     388   .   1   .   1   36   36   PRO   CD     C   13   50.228    0.003   .   1   .   .   .   .   .   36   P   CD     .   50886   1    
     389   .   1   .   1   37   37   PRO   HA     H   1    3.443     0.005   .   1   .   .   .   .   .   37   P   HA     .   50886   1    
     390   .   1   .   1   37   37   PRO   HB2    H   1    1.559     0.003   .   2   .   .   .   .   .   37   P   HB2    .   50886   1    
     391   .   1   .   1   37   37   PRO   HB3    H   1    1.243     0.005   .   2   .   .   .   .   .   37   P   HB3    .   50886   1    
     392   .   1   .   1   37   37   PRO   HG2    H   1    1.833     0.006   .   2   .   .   .   .   .   37   P   HG2    .   50886   1    
     393   .   1   .   1   37   37   PRO   HG3    H   1    1.607     0.003   .   2   .   .   .   .   .   37   P   HG3    .   50886   1    
     394   .   1   .   1   37   37   PRO   HD2    H   1    3.462     0.004   .   2   .   .   .   .   .   37   P   HD2    .   50886   1    
     395   .   1   .   1   37   37   PRO   CA     C   13   60.706    0.003   .   1   .   .   .   .   .   37   P   CA     .   50886   1    
     396   .   1   .   1   37   37   PRO   CB     C   13   29.674    0.005   .   1   .   .   .   .   .   37   P   CB     .   50886   1    
     397   .   1   .   1   37   37   PRO   CG     C   13   26.608    0.005   .   1   .   .   .   .   .   37   P   CG     .   50886   1    
     398   .   1   .   1   37   37   PRO   CD     C   13   49.553    0.006   .   1   .   .   .   .   .   37   P   CD     .   50886   1    
     399   .   1   .   1   38   38   PRO   HA     H   1    4.372     0.003   .   1   .   .   .   .   .   38   P   HA     .   50886   1    
     400   .   1   .   1   38   38   PRO   HB2    H   1    2.218     0.003   .   2   .   .   .   .   .   38   P   HB2    .   50886   1    
     401   .   1   .   1   38   38   PRO   HB3    H   1    1.952     0.004   .   2   .   .   .   .   .   38   P   HB3    .   50886   1    
     402   .   1   .   1   38   38   PRO   HG2    H   1    1.958     0.001   .   2   .   .   .   .   .   38   P   HG2    .   50886   1    
     403   .   1   .   1   38   38   PRO   HD2    H   1    3.236     0.003   .   2   .   .   .   .   .   38   P   HD2    .   50886   1    
     404   .   1   .   1   38   38   PRO   C      C   13   176.140   0.005   .   1   .   .   .   .   .   38   P   C      .   50886   1    
     405   .   1   .   1   38   38   PRO   CA     C   13   63.101    0.007   .   1   .   .   .   .   .   38   P   CA     .   50886   1    
     406   .   1   .   1   38   38   PRO   CB     C   13   31.489    0.009   .   1   .   .   .   .   .   38   P   CB     .   50886   1    
     407   .   1   .   1   38   38   PRO   CG     C   13   27.238    0.010   .   1   .   .   .   .   .   38   P   CG     .   50886   1    
     408   .   1   .   1   38   38   PRO   CD     C   13   49.858    0.008   .   1   .   .   .   .   .   38   P   CD     .   50886   1    
     409   .   1   .   1   39   39   SER   H      H   1    7.755     0.002   .   1   .   .   .   .   .   39   S   H      .   50886   1    
     410   .   1   .   1   39   39   SER   HA     H   1    4.376     0.004   .   1   .   .   .   .   .   39   S   HA     .   50886   1    
     411   .   1   .   1   39   39   SER   HB2    H   1    3.866     0.003   .   2   .   .   .   .   .   39   S   HB2    .   50886   1    
     412   .   1   .   1   39   39   SER   HB3    H   1    3.793     0.006   .   2   .   .   .   .   .   39   S   HB3    .   50886   1    
     413   .   1   .   1   39   39   SER   C      C   13   176.716   .       .   1   .   .   .   .   .   39   S   C      .   50886   1    
     414   .   1   .   1   39   39   SER   CA     C   13   57.763    0.010   .   1   .   .   .   .   .   39   S   CA     .   50886   1    
     415   .   1   .   1   39   39   SER   CB     C   13   64.206    0.009   .   1   .   .   .   .   .   39   S   CB     .   50886   1    
     416   .   1   .   1   39   39   SER   N      N   15   113.988   0.008   .   1   .   .   .   .   .   39   S   N      .   50886   1    
     417   .   1   .   1   40   40   NH2   HN1    H   1    7.300     .       .   2   .   .   .   .   .   40   X   HN1    .   50886   1    
     418   .   1   .   1   40   40   NH2   HN2    H   1    6.831     .       .   2   .   .   .   .   .   40   X   HN2    .   50886   1    
     419   .   1   .   1   40   40   NH2   N      N   15   106.373   0.003   .   1   .   .   .   .   .   40   X   N      .   50886   1    

   stop_

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