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

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

save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                     25881
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err            .
   _Assigned_chem_shift_list.Chem_shift_13C_err           .
   _Assigned_chem_shift_list.Chem_shift_15N_err           .
   _Assigned_chem_shift_list.Chem_shift_31P_err           .
   _Assigned_chem_shift_list.Chem_shift_2H_err            .
   _Assigned_chem_shift_list.Chem_shift_19F_err           .
   _Assigned_chem_shift_list.Error_derivation_method      .
   _Assigned_chem_shift_list.Details                      .
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

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

     2   '2D 1H-15N HSQC'             .   .   .   25881   1    
     3   '2D 1H-13C HSQC aliphatic'   .   .   .   25881   1    
     4   '2D 1H-13C HSQC aromatic'    .   .   .   25881   1    
     5   '3D CBCA(CO)NH'              .   .   .   25881   1    
     6   '3D HNCO'                    .   .   .   25881   1    
     7   '3D HNCA'                    .   .   .   25881   1    
     8   '3D HCCH-TOCSY'              .   .   .   25881   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    PRO   HA     H   1    4.293     0.000   .   1   .   .   .   A   -1   PRO   HA     .   25881   1    
     2     .   1   1   2    2    PRO   HB2    H   1    2.106     0.005   .   1   .   .   .   A   -1   PRO   HB2    .   25881   1    
     3     .   1   1   2    2    PRO   HB3    H   1    1.694     0.001   .   1   .   .   .   A   -1   PRO   HB3    .   25881   1    
     4     .   1   1   2    2    PRO   HG2    H   1    1.84      0.004   .   1   .   .   .   A   -1   PRO   HG2    .   25881   1    
     5     .   1   1   2    2    PRO   HG3    H   1    1.771     0.003   .   1   .   .   .   A   -1   PRO   HG3    .   25881   1    
     6     .   1   1   2    2    PRO   HD2    H   1    3.404     0.002   .   2   .   .   .   A   -1   PRO   HD2    .   25881   1    
     7     .   1   1   2    2    PRO   HD3    H   1    3.404     0.002   .   2   .   .   .   A   -1   PRO   HD3    .   25881   1    
     8     .   1   1   2    2    PRO   CA     C   13   63.002    0.037   .   1   .   .   .   A   -1   PRO   CA     .   25881   1    
     9     .   1   1   2    2    PRO   CB     C   13   32.218    0.046   .   1   .   .   .   A   -1   PRO   CB     .   25881   1    
     10    .   1   1   2    2    PRO   CG     C   13   26.835    0.058   .   1   .   .   .   A   -1   PRO   CG     .   25881   1    
     11    .   1   1   2    2    PRO   CD     C   13   49.511    0.020   .   1   .   .   .   A   -1   PRO   CD     .   25881   1    
     12    .   1   1   4    4    MET   HA     H   1    3.967     0.002   .   1   .   .   .   A   1    MET   HA     .   25881   1    
     13    .   1   1   4    4    MET   HB2    H   1    2.15      0.001   .   2   .   .   .   A   1    MET   HB2    .   25881   1    
     14    .   1   1   4    4    MET   HB3    H   1    2.15      0.001   .   2   .   .   .   A   1    MET   HB3    .   25881   1    
     15    .   1   1   4    4    MET   HG2    H   1    1.948     0.004   .   1   .   .   .   A   1    MET   HG2    .   25881   1    
     16    .   1   1   4    4    MET   HG3    H   1    1.771     0.007   .   1   .   .   .   A   1    MET   HG3    .   25881   1    
     17    .   1   1   4    4    MET   HE1    H   1    1.923     0.001   .   1   .   .   .   A   1    MET   HE1    .   25881   1    
     18    .   1   1   4    4    MET   HE2    H   1    1.923     0.001   .   1   .   .   .   A   1    MET   HE2    .   25881   1    
     19    .   1   1   4    4    MET   HE3    H   1    1.923     0.001   .   1   .   .   .   A   1    MET   HE3    .   25881   1    
     20    .   1   1   4    4    MET   CA     C   13   57.335    0.022   .   1   .   .   .   A   1    MET   CA     .   25881   1    
     21    .   1   1   4    4    MET   CB     C   13   34.18     0.035   .   1   .   .   .   A   1    MET   CB     .   25881   1    
     22    .   1   1   4    4    MET   CG     C   13   30.16     0.063   .   1   .   .   .   A   1    MET   CG     .   25881   1    
     23    .   1   1   4    4    MET   CE     C   13   16.792    0.016   .   1   .   .   .   A   1    MET   CE     .   25881   1    
     24    .   1   1   5    5    VAL   C      C   13   175.654   0.000   .   1   .   .   .   A   2    VAL   C      .   25881   1    
     25    .   1   1   5    5    VAL   CA     C   13   55.183    0.052   .   1   .   .   .   A   2    VAL   CA     .   25881   1    
     26    .   1   1   5    5    VAL   CB     C   13   33.173    0.000   .   1   .   .   .   A   2    VAL   CB     .   25881   1    
     27    .   1   1   6    6    SER   H      H   1    8.103     0.001   .   1   .   .   .   A   3    SER   H      .   25881   1    
     28    .   1   1   6    6    SER   HA     H   1    4.323     0.000   .   1   .   .   .   A   3    SER   HA     .   25881   1    
     29    .   1   1   6    6    SER   C      C   13   176.021   0.000   .   1   .   .   .   A   3    SER   C      .   25881   1    
     30    .   1   1   6    6    SER   CA     C   13   62.208    0.072   .   1   .   .   .   A   3    SER   CA     .   25881   1    
     31    .   1   1   6    6    SER   N      N   15   121.996   0.005   .   1   .   .   .   A   3    SER   N      .   25881   1    
     32    .   1   1   7    7    SER   H      H   1    8.298     0.006   .   1   .   .   .   A   4    SER   H      .   25881   1    
     33    .   1   1   7    7    SER   HA     H   1    4.317     0.000   .   1   .   .   .   A   4    SER   HA     .   25881   1    
     34    .   1   1   7    7    SER   HB2    H   1    3.714     0.000   .   2   .   .   .   A   4    SER   HB2    .   25881   1    
     35    .   1   1   7    7    SER   HB3    H   1    3.714     0.000   .   2   .   .   .   A   4    SER   HB3    .   25881   1    
     36    .   1   1   7    7    SER   C      C   13   174.01    0.000   .   1   .   .   .   A   4    SER   C      .   25881   1    
     37    .   1   1   7    7    SER   CA     C   13   58.177    0.046   .   1   .   .   .   A   4    SER   CA     .   25881   1    
     38    .   1   1   7    7    SER   CB     C   13   63.763    0.058   .   1   .   .   .   A   4    SER   CB     .   25881   1    
     39    .   1   1   7    7    SER   N      N   15   119.715   0.003   .   1   .   .   .   A   4    SER   N      .   25881   1    
     40    .   1   1   8    8    ALA   H      H   1    8.119     0.004   .   1   .   .   .   A   5    ALA   H      .   25881   1    
     41    .   1   1   8    8    ALA   HA     H   1    4.169     0.001   .   1   .   .   .   A   5    ALA   HA     .   25881   1    
     42    .   1   1   8    8    ALA   HB1    H   1    1.188     0.001   .   1   .   .   .   A   5    ALA   HB1    .   25881   1    
     43    .   1   1   8    8    ALA   HB2    H   1    1.188     0.001   .   1   .   .   .   A   5    ALA   HB2    .   25881   1    
     44    .   1   1   8    8    ALA   HB3    H   1    1.188     0.001   .   1   .   .   .   A   5    ALA   HB3    .   25881   1    
     45    .   1   1   8    8    ALA   C      C   13   177.297   0.000   .   1   .   .   .   A   5    ALA   C      .   25881   1    
     46    .   1   1   8    8    ALA   CA     C   13   52.384    0.030   .   1   .   .   .   A   5    ALA   CA     .   25881   1    
     47    .   1   1   8    8    ALA   CB     C   13   19.106    0.060   .   1   .   .   .   A   5    ALA   CB     .   25881   1    
     48    .   1   1   8    8    ALA   N      N   15   126.016   0.023   .   1   .   .   .   A   5    ALA   N      .   25881   1    
     49    .   1   1   9    9    VAL   H      H   1    7.861     0.003   .   1   .   .   .   A   6    VAL   H      .   25881   1    
     50    .   1   1   9    9    VAL   HA     H   1    3.948     0.002   .   1   .   .   .   A   6    VAL   HA     .   25881   1    
     51    .   1   1   9    9    VAL   HB     H   1    1.808     0.004   .   1   .   .   .   A   6    VAL   HB     .   25881   1    
     52    .   1   1   9    9    VAL   HG11   H   1    0.747     0.002   .   1   .   .   .   A   6    VAL   HG11   .   25881   1    
     53    .   1   1   9    9    VAL   HG12   H   1    0.747     0.002   .   1   .   .   .   A   6    VAL   HG12   .   25881   1    
     54    .   1   1   9    9    VAL   HG13   H   1    0.747     0.002   .   1   .   .   .   A   6    VAL   HG13   .   25881   1    
     55    .   1   1   9    9    VAL   HG21   H   1    0.727     0.003   .   1   .   .   .   A   6    VAL   HG21   .   25881   1    
     56    .   1   1   9    9    VAL   HG22   H   1    0.727     0.003   .   1   .   .   .   A   6    VAL   HG22   .   25881   1    
     57    .   1   1   9    9    VAL   HG23   H   1    0.727     0.003   .   1   .   .   .   A   6    VAL   HG23   .   25881   1    
     58    .   1   1   9    9    VAL   C      C   13   175.743   0.000   .   1   .   .   .   A   6    VAL   C      .   25881   1    
     59    .   1   1   9    9    VAL   CA     C   13   61.668    0.047   .   1   .   .   .   A   6    VAL   CA     .   25881   1    
     60    .   1   1   9    9    VAL   CB     C   13   32.841    0.073   .   1   .   .   .   A   6    VAL   CB     .   25881   1    
     61    .   1   1   9    9    VAL   CG1    C   13   21.267    0.049   .   1   .   .   .   A   6    VAL   CG1    .   25881   1    
     62    .   1   1   9    9    VAL   CG2    C   13   20.374    0.025   .   1   .   .   .   A   6    VAL   CG2    .   25881   1    
     63    .   1   1   9    9    VAL   N      N   15   119.174   0.009   .   1   .   .   .   A   6    VAL   N      .   25881   1    
     64    .   1   1   10   10   LYS   H      H   1    8.054     0.002   .   1   .   .   .   A   7    LYS   H      .   25881   1    
     65    .   1   1   10   10   LYS   HA     H   1    4.167     0.003   .   1   .   .   .   A   7    LYS   HA     .   25881   1    
     66    .   1   1   10   10   LYS   HB2    H   1    1.49      0.001   .   1   .   .   .   A   7    LYS   HB2    .   25881   1    
     67    .   1   1   10   10   LYS   HB3    H   1    1.38      0.001   .   1   .   .   .   A   7    LYS   HB3    .   25881   1    
     68    .   1   1   10   10   LYS   HG2    H   1    1.15      0.005   .   2   .   .   .   A   7    LYS   HG2    .   25881   1    
     69    .   1   1   10   10   LYS   HG3    H   1    1.15      0.005   .   2   .   .   .   A   7    LYS   HG3    .   25881   1    
     70    .   1   1   10   10   LYS   HD2    H   1    1.266     0.004   .   1   .   .   .   A   7    LYS   HD2    .   25881   1    
     71    .   1   1   10   10   LYS   HD3    H   1    1.266     0.004   .   1   .   .   .   A   7    LYS   HD3    .   25881   1    
     72    .   1   1   10   10   LYS   HE2    H   1    2.763     0.004   .   2   .   .   .   A   7    LYS   HE2    .   25881   1    
     73    .   1   1   10   10   LYS   HE3    H   1    2.763     0.004   .   2   .   .   .   A   7    LYS   HE3    .   25881   1    
     74    .   1   1   10   10   LYS   C      C   13   175.665   0.000   .   1   .   .   .   A   7    LYS   C      .   25881   1    
     75    .   1   1   10   10   LYS   CA     C   13   55.29     0.019   .   1   .   .   .   A   7    LYS   CA     .   25881   1    
     76    .   1   1   10   10   LYS   CB     C   13   33.541    0.055   .   1   .   .   .   A   7    LYS   CB     .   25881   1    
     77    .   1   1   10   10   LYS   CG     C   13   25.052    0.084   .   1   .   .   .   A   7    LYS   CG     .   25881   1    
     78    .   1   1   10   10   LYS   CD     C   13   33.198    0.070   .   1   .   .   .   A   7    LYS   CD     .   25881   1    
     79    .   1   1   10   10   LYS   CE     C   13   42.167    0.000   .   1   .   .   .   A   7    LYS   CE     .   25881   1    
     80    .   1   1   10   10   LYS   N      N   15   123.999   0.022   .   1   .   .   .   A   7    LYS   N      .   25881   1    
     81    .   1   1   11   11   CYS   H      H   1    8.539     0.001   .   1   .   .   .   A   8    CYS   H      .   25881   1    
     82    .   1   1   11   11   CYS   HA     H   1    3.643     0.001   .   1   .   .   .   A   8    CYS   HA     .   25881   1    
     83    .   1   1   11   11   CYS   HB2    H   1    3.147     0.002   .   1   .   .   .   A   8    CYS   HB2    .   25881   1    
     84    .   1   1   11   11   CYS   HB3    H   1    2.385     0.003   .   1   .   .   .   A   8    CYS   HB3    .   25881   1    
     85    .   1   1   11   11   CYS   C      C   13   177.383   0.000   .   1   .   .   .   A   8    CYS   C      .   25881   1    
     86    .   1   1   11   11   CYS   CA     C   13   59.766    0.009   .   1   .   .   .   A   8    CYS   CA     .   25881   1    
     87    .   1   1   11   11   CYS   CB     C   13   30.909    0.056   .   1   .   .   .   A   8    CYS   CB     .   25881   1    
     88    .   1   1   11   11   CYS   N      N   15   121.428   0.015   .   1   .   .   .   A   8    CYS   N      .   25881   1    
     89    .   1   1   12   12   GLY   H      H   1    9.365     0.001   .   1   .   .   .   A   9    GLY   H      .   25881   1    
     90    .   1   1   12   12   GLY   HA2    H   1    4.005     0.003   .   1   .   .   .   A   9    GLY   HA2    .   25881   1    
     91    .   1   1   12   12   GLY   HA3    H   1    3.64      0.001   .   1   .   .   .   A   9    GLY   HA3    .   25881   1    
     92    .   1   1   12   12   GLY   C      C   13   172.77    0.000   .   1   .   .   .   A   9    GLY   C      .   25881   1    
     93    .   1   1   12   12   GLY   CA     C   13   46.144    0.026   .   1   .   .   .   A   9    GLY   CA     .   25881   1    
     94    .   1   1   12   12   GLY   N      N   15   118.862   0.008   .   1   .   .   .   A   9    GLY   N      .   25881   1    
     95    .   1   1   13   13   ILE   H      H   1    8.972     0.001   .   1   .   .   .   A   10   ILE   H      .   25881   1    
     96    .   1   1   13   13   ILE   HA     H   1    3.982     0.003   .   1   .   .   .   A   10   ILE   HA     .   25881   1    
     97    .   1   1   13   13   ILE   HB     H   1    2.056     0.001   .   1   .   .   .   A   10   ILE   HB     .   25881   1    
     98    .   1   1   13   13   ILE   HG12   H   1    1.161     0.002   .   2   .   .   .   A   10   ILE   HG12   .   25881   1    
     99    .   1   1   13   13   ILE   HG13   H   1    1.161     0.002   .   2   .   .   .   A   10   ILE   HG13   .   25881   1    
     100   .   1   1   13   13   ILE   HG21   H   1    0.901     0.002   .   1   .   .   .   A   10   ILE   HG21   .   25881   1    
     101   .   1   1   13   13   ILE   HG22   H   1    0.901     0.002   .   1   .   .   .   A   10   ILE   HG22   .   25881   1    
     102   .   1   1   13   13   ILE   HG23   H   1    0.901     0.002   .   1   .   .   .   A   10   ILE   HG23   .   25881   1    
     103   .   1   1   13   13   ILE   HD11   H   1    0.325     0.001   .   1   .   .   .   A   10   ILE   HD11   .   25881   1    
     104   .   1   1   13   13   ILE   HD12   H   1    0.325     0.001   .   1   .   .   .   A   10   ILE   HD12   .   25881   1    
     105   .   1   1   13   13   ILE   HD13   H   1    0.325     0.001   .   1   .   .   .   A   10   ILE   HD13   .   25881   1    
     106   .   1   1   13   13   ILE   C      C   13   175.98    0.000   .   1   .   .   .   A   10   ILE   C      .   25881   1    
     107   .   1   1   13   13   ILE   CA     C   13   63.056    0.037   .   1   .   .   .   A   10   ILE   CA     .   25881   1    
     108   .   1   1   13   13   ILE   CB     C   13   37.944    0.067   .   1   .   .   .   A   10   ILE   CB     .   25881   1    
     109   .   1   1   13   13   ILE   CG1    C   13   27.439    0.049   .   1   .   .   .   A   10   ILE   CG1    .   25881   1    
     110   .   1   1   13   13   ILE   CG2    C   13   18.146    0.021   .   1   .   .   .   A   10   ILE   CG2    .   25881   1    
     111   .   1   1   13   13   ILE   CD1    C   13   11.794    0.033   .   1   .   .   .   A   10   ILE   CD1    .   25881   1    
     112   .   1   1   13   13   ILE   N      N   15   122.885   0.015   .   1   .   .   .   A   10   ILE   N      .   25881   1    
     113   .   1   1   14   14   CYS   H      H   1    8.466     0.001   .   1   .   .   .   A   11   CYS   H      .   25881   1    
     114   .   1   1   14   14   CYS   HA     H   1    4.649     0.004   .   1   .   .   .   A   11   CYS   HA     .   25881   1    
     115   .   1   1   14   14   CYS   HB2    H   1    3.027     0.001   .   1   .   .   .   A   11   CYS   HB2    .   25881   1    
     116   .   1   1   14   14   CYS   HB3    H   1    2.843     0.002   .   1   .   .   .   A   11   CYS   HB3    .   25881   1    
     117   .   1   1   14   14   CYS   C      C   13   176.78    0.000   .   1   .   .   .   A   11   CYS   C      .   25881   1    
     118   .   1   1   14   14   CYS   CA     C   13   59.094    0.026   .   1   .   .   .   A   11   CYS   CA     .   25881   1    
     119   .   1   1   14   14   CYS   CB     C   13   31.972    0.064   .   1   .   .   .   A   11   CYS   CB     .   25881   1    
     120   .   1   1   14   14   CYS   N      N   15   118.245   0.005   .   1   .   .   .   A   11   CYS   N      .   25881   1    
     121   .   1   1   15   15   ARG   H      H   1    7.255     0.001   .   1   .   .   .   A   12   ARG   H      .   25881   1    
     122   .   1   1   15   15   ARG   HA     H   1    4.216     0.002   .   1   .   .   .   A   12   ARG   HA     .   25881   1    
     123   .   1   1   15   15   ARG   HB2    H   1    1.905     0.004   .   1   .   .   .   A   12   ARG   HB2    .   25881   1    
     124   .   1   1   15   15   ARG   HB3    H   1    2.052     0.005   .   1   .   .   .   A   12   ARG   HB3    .   25881   1    
     125   .   1   1   15   15   ARG   HG2    H   1    1.374     0.002   .   2   .   .   .   A   12   ARG   HG2    .   25881   1    
     126   .   1   1   15   15   ARG   HG3    H   1    1.374     0.002   .   2   .   .   .   A   12   ARG   HG3    .   25881   1    
     127   .   1   1   15   15   ARG   HD2    H   1    3.031     0.002   .   2   .   .   .   A   12   ARG   HD2    .   25881   1    
     128   .   1   1   15   15   ARG   HD3    H   1    3.031     0.002   .   2   .   .   .   A   12   ARG   HD3    .   25881   1    
     129   .   1   1   15   15   ARG   C      C   13   175.637   0.000   .   1   .   .   .   A   12   ARG   C      .   25881   1    
     130   .   1   1   15   15   ARG   CA     C   13   57.96     0.021   .   1   .   .   .   A   12   ARG   CA     .   25881   1    
     131   .   1   1   15   15   ARG   CB     C   13   27.104    0.083   .   1   .   .   .   A   12   ARG   CB     .   25881   1    
     132   .   1   1   15   15   ARG   CG     C   13   27.363    0.082   .   1   .   .   .   A   12   ARG   CG     .   25881   1    
     133   .   1   1   15   15   ARG   CD     C   13   43.015    0.026   .   1   .   .   .   A   12   ARG   CD     .   25881   1    
     134   .   1   1   15   15   ARG   N      N   15   116.067   0.005   .   1   .   .   .   A   12   ARG   N      .   25881   1    
     135   .   1   1   16   16   GLY   H      H   1    8.795     0.002   .   1   .   .   .   A   13   GLY   H      .   25881   1    
     136   .   1   1   16   16   GLY   HA2    H   1    4.163     0.004   .   1   .   .   .   A   13   GLY   HA2    .   25881   1    
     137   .   1   1   16   16   GLY   HA3    H   1    3.804     0.001   .   1   .   .   .   A   13   GLY   HA3    .   25881   1    
     138   .   1   1   16   16   GLY   C      C   13   173.169   0.000   .   1   .   .   .   A   13   GLY   C      .   25881   1    
     139   .   1   1   16   16   GLY   CA     C   13   44.304    0.039   .   1   .   .   .   A   13   GLY   CA     .   25881   1    
     140   .   1   1   16   16   GLY   N      N   15   109.951   0.011   .   1   .   .   .   A   13   GLY   N      .   25881   1    
     141   .   1   1   17   17   VAL   H      H   1    7.266     0.001   .   1   .   .   .   A   14   VAL   H      .   25881   1    
     142   .   1   1   17   17   VAL   HA     H   1    4.044     0.001   .   1   .   .   .   A   14   VAL   HA     .   25881   1    
     143   .   1   1   17   17   VAL   HB     H   1    2.027     0.001   .   1   .   .   .   A   14   VAL   HB     .   25881   1    
     144   .   1   1   17   17   VAL   HG11   H   1    0.881     0.001   .   1   .   .   .   A   14   VAL   HG11   .   25881   1    
     145   .   1   1   17   17   VAL   HG12   H   1    0.881     0.001   .   1   .   .   .   A   14   VAL   HG12   .   25881   1    
     146   .   1   1   17   17   VAL   HG13   H   1    0.881     0.001   .   1   .   .   .   A   14   VAL   HG13   .   25881   1    
     147   .   1   1   17   17   VAL   HG21   H   1    0.771     0.003   .   1   .   .   .   A   14   VAL   HG21   .   25881   1    
     148   .   1   1   17   17   VAL   HG22   H   1    0.771     0.003   .   1   .   .   .   A   14   VAL   HG22   .   25881   1    
     149   .   1   1   17   17   VAL   HG23   H   1    0.771     0.003   .   1   .   .   .   A   14   VAL   HG23   .   25881   1    
     150   .   1   1   17   17   VAL   C      C   13   174.97    0.000   .   1   .   .   .   A   14   VAL   C      .   25881   1    
     151   .   1   1   17   17   VAL   CA     C   13   61.231    0.039   .   1   .   .   .   A   14   VAL   CA     .   25881   1    
     152   .   1   1   17   17   VAL   CB     C   13   33.838    0.058   .   1   .   .   .   A   14   VAL   CB     .   25881   1    
     153   .   1   1   17   17   VAL   CG1    C   13   21.627    0.029   .   1   .   .   .   A   14   VAL   CG1    .   25881   1    
     154   .   1   1   17   17   VAL   CG2    C   13   19.573    0.024   .   1   .   .   .   A   14   VAL   CG2    .   25881   1    
     155   .   1   1   17   17   VAL   N      N   15   113.644   0.020   .   1   .   .   .   A   14   VAL   N      .   25881   1    
     156   .   1   1   18   18   ASP   H      H   1    8.223     0.002   .   1   .   .   .   A   15   ASP   H      .   25881   1    
     157   .   1   1   18   18   ASP   HA     H   1    4.231     0.001   .   1   .   .   .   A   15   ASP   HA     .   25881   1    
     158   .   1   1   18   18   ASP   HB2    H   1    2.604     0.003   .   1   .   .   .   A   15   ASP   HB2    .   25881   1    
     159   .   1   1   18   18   ASP   HB3    H   1    2.299     0.001   .   1   .   .   .   A   15   ASP   HB3    .   25881   1    
     160   .   1   1   18   18   ASP   C      C   13   176.279   0.000   .   1   .   .   .   A   15   ASP   C      .   25881   1    
     161   .   1   1   18   18   ASP   CA     C   13   55.023    0.054   .   1   .   .   .   A   15   ASP   CA     .   25881   1    
     162   .   1   1   18   18   ASP   CB     C   13   39.947    0.060   .   1   .   .   .   A   15   ASP   CB     .   25881   1    
     163   .   1   1   18   18   ASP   N      N   15   119.913   0.010   .   1   .   .   .   A   15   ASP   N      .   25881   1    
     164   .   1   1   19   19   GLY   H      H   1    8.617     0.002   .   1   .   .   .   A   16   GLY   H      .   25881   1    
     165   .   1   1   19   19   GLY   HA2    H   1    3.487     0.001   .   1   .   .   .   A   16   GLY   HA2    .   25881   1    
     166   .   1   1   19   19   GLY   HA3    H   1    2.61      0.002   .   1   .   .   .   A   16   GLY   HA3    .   25881   1    
     167   .   1   1   19   19   GLY   C      C   13   173.12    0.000   .   1   .   .   .   A   16   GLY   C      .   25881   1    
     168   .   1   1   19   19   GLY   CA     C   13   46.096    0.039   .   1   .   .   .   A   16   GLY   CA     .   25881   1    
     169   .   1   1   19   19   GLY   N      N   15   109.534   0.024   .   1   .   .   .   A   16   GLY   N      .   25881   1    
     170   .   1   1   20   20   LYS   H      H   1    7.318     0.001   .   1   .   .   .   A   17   LYS   H      .   25881   1    
     171   .   1   1   20   20   LYS   HA     H   1    3.645     0.001   .   1   .   .   .   A   17   LYS   HA     .   25881   1    
     172   .   1   1   20   20   LYS   HB2    H   1    1.049     0.003   .   2   .   .   .   A   17   LYS   HB2    .   25881   1    
     173   .   1   1   20   20   LYS   HB3    H   1    1.049     0.003   .   2   .   .   .   A   17   LYS   HB3    .   25881   1    
     174   .   1   1   20   20   LYS   HG2    H   1    0.617     0.005   .   1   .   .   .   A   17   LYS   HG2    .   25881   1    
     175   .   1   1   20   20   LYS   HG3    H   1    0.31      0.003   .   1   .   .   .   A   17   LYS   HG3    .   25881   1    
     176   .   1   1   20   20   LYS   HD2    H   1    1.262     0.003   .   2   .   .   .   A   17   LYS   HD2    .   25881   1    
     177   .   1   1   20   20   LYS   HD3    H   1    1.262     0.003   .   2   .   .   .   A   17   LYS   HD3    .   25881   1    
     178   .   1   1   20   20   LYS   HE2    H   1    2.667     0.005   .   2   .   .   .   A   17   LYS   HE2    .   25881   1    
     179   .   1   1   20   20   LYS   HE3    H   1    2.667     0.005   .   2   .   .   .   A   17   LYS   HE3    .   25881   1    
     180   .   1   1   20   20   LYS   C      C   13   175.029   0.000   .   1   .   .   .   A   17   LYS   C      .   25881   1    
     181   .   1   1   20   20   LYS   CA     C   13   57.511    0.016   .   1   .   .   .   A   17   LYS   CA     .   25881   1    
     182   .   1   1   20   20   LYS   CB     C   13   33.144    0.057   .   1   .   .   .   A   17   LYS   CB     .   25881   1    
     183   .   1   1   20   20   LYS   CG     C   13   23.445    0.047   .   1   .   .   .   A   17   LYS   CG     .   25881   1    
     184   .   1   1   20   20   LYS   CD     C   13   29.154    0.056   .   1   .   .   .   A   17   LYS   CD     .   25881   1    
     185   .   1   1   20   20   LYS   CE     C   13   41.764    0.025   .   1   .   .   .   A   17   LYS   CE     .   25881   1    
     186   .   1   1   20   20   LYS   N      N   15   121.534   0.008   .   1   .   .   .   A   17   LYS   N      .   25881   1    
     187   .   1   1   21   21   TYR   H      H   1    7.661     0.003   .   1   .   .   .   A   18   TYR   H      .   25881   1    
     188   .   1   1   21   21   TYR   HA     H   1    4.452     0.003   .   1   .   .   .   A   18   TYR   HA     .   25881   1    
     189   .   1   1   21   21   TYR   HB2    H   1    2.23      0.003   .   1   .   .   .   A   18   TYR   HB2    .   25881   1    
     190   .   1   1   21   21   TYR   HB3    H   1    0.714     0.002   .   1   .   .   .   A   18   TYR   HB3    .   25881   1    
     191   .   1   1   21   21   TYR   HD1    H   1    6.629     0.004   .   3   .   .   .   A   18   TYR   HD1    .   25881   1    
     192   .   1   1   21   21   TYR   HE1    H   1    6.547     0.000   .   3   .   .   .   A   18   TYR   HE1    .   25881   1    
     193   .   1   1   21   21   TYR   C      C   13   174.241   0.000   .   1   .   .   .   A   18   TYR   C      .   25881   1    
     194   .   1   1   21   21   TYR   CA     C   13   55.548    0.054   .   1   .   .   .   A   18   TYR   CA     .   25881   1    
     195   .   1   1   21   21   TYR   CB     C   13   38.496    0.074   .   1   .   .   .   A   18   TYR   CB     .   25881   1    
     196   .   1   1   21   21   TYR   CD1    C   13   133.352   0.007   .   1   .   .   .   A   18   TYR   CD1    .   25881   1    
     197   .   1   1   21   21   TYR   CE1    C   13   117.472   0.000   .   1   .   .   .   A   18   TYR   CE1    .   25881   1    
     198   .   1   1   21   21   TYR   N      N   15   119.391   0.012   .   1   .   .   .   A   18   TYR   N      .   25881   1    
     199   .   1   1   22   22   LYS   H      H   1    8.395     0.001   .   1   .   .   .   A   19   LYS   H      .   25881   1    
     200   .   1   1   22   22   LYS   HA     H   1    4.941     0.005   .   1   .   .   .   A   19   LYS   HA     .   25881   1    
     201   .   1   1   22   22   LYS   HB2    H   1    1.525     0.004   .   1   .   .   .   A   19   LYS   HB2    .   25881   1    
     202   .   1   1   22   22   LYS   HB3    H   1    1.288     0.003   .   1   .   .   .   A   19   LYS   HB3    .   25881   1    
     203   .   1   1   22   22   LYS   HG2    H   1    1.077     0.011   .   1   .   .   .   A   19   LYS   HG2    .   25881   1    
     204   .   1   1   22   22   LYS   HG3    H   1    0.97      0.010   .   1   .   .   .   A   19   LYS   HG3    .   25881   1    
     205   .   1   1   22   22   LYS   HD2    H   1    1.479     0.002   .   2   .   .   .   A   19   LYS   HD2    .   25881   1    
     206   .   1   1   22   22   LYS   HD3    H   1    1.479     0.002   .   2   .   .   .   A   19   LYS   HD3    .   25881   1    
     207   .   1   1   22   22   LYS   HE2    H   1    2.837     0.003   .   2   .   .   .   A   19   LYS   HE2    .   25881   1    
     208   .   1   1   22   22   LYS   HE3    H   1    2.837     0.003   .   2   .   .   .   A   19   LYS   HE3    .   25881   1    
     209   .   1   1   22   22   LYS   C      C   13   176.321   0.000   .   1   .   .   .   A   19   LYS   C      .   25881   1    
     210   .   1   1   22   22   LYS   CA     C   13   54.564    0.052   .   1   .   .   .   A   19   LYS   CA     .   25881   1    
     211   .   1   1   22   22   LYS   CB     C   13   36.018    0.057   .   1   .   .   .   A   19   LYS   CB     .   25881   1    
     212   .   1   1   22   22   LYS   CG     C   13   24.678    0.021   .   1   .   .   .   A   19   LYS   CG     .   25881   1    
     213   .   1   1   22   22   LYS   CD     C   13   29.585    0.064   .   1   .   .   .   A   19   LYS   CD     .   25881   1    
     214   .   1   1   22   22   LYS   CE     C   13   41.925    0.033   .   1   .   .   .   A   19   LYS   CE     .   25881   1    
     215   .   1   1   22   22   LYS   N      N   15   120.14    0.017   .   1   .   .   .   A   19   LYS   N      .   25881   1    
     216   .   1   1   23   23   CYS   H      H   1    9.391     0.002   .   1   .   .   .   A   20   CYS   H      .   25881   1    
     217   .   1   1   23   23   CYS   HA     H   1    4.931     0.004   .   1   .   .   .   A   20   CYS   HA     .   25881   1    
     218   .   1   1   23   23   CYS   HB2    H   1    3.422     0.001   .   1   .   .   .   A   20   CYS   HB2    .   25881   1    
     219   .   1   1   23   23   CYS   HB3    H   1    2.863     0.003   .   1   .   .   .   A   20   CYS   HB3    .   25881   1    
     220   .   1   1   23   23   CYS   C      C   13   176.321   0.000   .   1   .   .   .   A   20   CYS   C      .   25881   1    
     221   .   1   1   23   23   CYS   CA     C   13   57.292    0.022   .   1   .   .   .   A   20   CYS   CA     .   25881   1    
     222   .   1   1   23   23   CYS   CB     C   13   30.866    0.053   .   1   .   .   .   A   20   CYS   CB     .   25881   1    
     223   .   1   1   23   23   CYS   N      N   15   131.127   0.016   .   1   .   .   .   A   20   CYS   N      .   25881   1    
     224   .   1   1   24   24   PRO   HA     H   1    4.4       0.001   .   1   .   .   .   A   21   PRO   HA     .   25881   1    
     225   .   1   1   24   24   PRO   HB2    H   1    2.303     0.005   .   1   .   .   .   A   21   PRO   HB2    .   25881   1    
     226   .   1   1   24   24   PRO   HB3    H   1    1.963     0.006   .   1   .   .   .   A   21   PRO   HB3    .   25881   1    
     227   .   1   1   24   24   PRO   HG2    H   1    2.077     0.007   .   1   .   .   .   A   21   PRO   HG2    .   25881   1    
     228   .   1   1   24   24   PRO   HG3    H   1    1.999     0.002   .   1   .   .   .   A   21   PRO   HG3    .   25881   1    
     229   .   1   1   24   24   PRO   HD2    H   1    4.201     0.002   .   1   .   .   .   A   21   PRO   HD2    .   25881   1    
     230   .   1   1   24   24   PRO   HD3    H   1    4.388     0.003   .   1   .   .   .   A   21   PRO   HD3    .   25881   1    
     231   .   1   1   24   24   PRO   C      C   13   176.764   0.000   .   1   .   .   .   A   21   PRO   C      .   25881   1    
     232   .   1   1   24   24   PRO   CA     C   13   64.435    0.027   .   1   .   .   .   A   21   PRO   CA     .   25881   1    
     233   .   1   1   24   24   PRO   CB     C   13   32.325    0.049   .   1   .   .   .   A   21   PRO   CB     .   25881   1    
     234   .   1   1   24   24   PRO   CG     C   13   27.039    0.017   .   1   .   .   .   A   21   PRO   CG     .   25881   1    
     235   .   1   1   24   24   PRO   CD     C   13   51.791    0.030   .   1   .   .   .   A   21   PRO   CD     .   25881   1    
     236   .   1   1   25   25   LYS   H      H   1    8.55      0.004   .   1   .   .   .   A   22   LYS   H      .   25881   1    
     237   .   1   1   25   25   LYS   HA     H   1    4.198     0.002   .   1   .   .   .   A   22   LYS   HA     .   25881   1    
     238   .   1   1   25   25   LYS   HB2    H   1    1.256     0.004   .   2   .   .   .   A   22   LYS   HB2    .   25881   1    
     239   .   1   1   25   25   LYS   HB3    H   1    1.256     0.004   .   2   .   .   .   A   22   LYS   HB3    .   25881   1    
     240   .   1   1   25   25   LYS   HG2    H   1    1.06      0.007   .   1   .   .   .   A   22   LYS   HG2    .   25881   1    
     241   .   1   1   25   25   LYS   HG3    H   1    0.949     0.004   .   1   .   .   .   A   22   LYS   HG3    .   25881   1    
     242   .   1   1   25   25   LYS   HD2    H   1    1.233     0.004   .   2   .   .   .   A   22   LYS   HD2    .   25881   1    
     243   .   1   1   25   25   LYS   HD3    H   1    1.233     0.004   .   2   .   .   .   A   22   LYS   HD3    .   25881   1    
     244   .   1   1   25   25   LYS   HE2    H   1    2.686     0.002   .   2   .   .   .   A   22   LYS   HE2    .   25881   1    
     245   .   1   1   25   25   LYS   HE3    H   1    2.686     0.002   .   2   .   .   .   A   22   LYS   HE3    .   25881   1    
     246   .   1   1   25   25   LYS   C      C   13   176.798   0.000   .   1   .   .   .   A   22   LYS   C      .   25881   1    
     247   .   1   1   25   25   LYS   CA     C   13   57.627    0.034   .   1   .   .   .   A   22   LYS   CA     .   25881   1    
     248   .   1   1   25   25   LYS   CB     C   13   33.262    0.016   .   1   .   .   .   A   22   LYS   CB     .   25881   1    
     249   .   1   1   25   25   LYS   CG     C   13   24.767    0.041   .   1   .   .   .   A   22   LYS   CG     .   25881   1    
     250   .   1   1   25   25   LYS   CD     C   13   28.326    0.038   .   1   .   .   .   A   22   LYS   CD     .   25881   1    
     251   .   1   1   25   25   LYS   CE     C   13   41.965    0.001   .   1   .   .   .   A   22   LYS   CE     .   25881   1    
     252   .   1   1   25   25   LYS   N      N   15   120.217   0.026   .   1   .   .   .   A   22   LYS   N      .   25881   1    
     253   .   1   1   26   26   CYS   H      H   1    7.886     0.004   .   1   .   .   .   A   23   CYS   H      .   25881   1    
     254   .   1   1   26   26   CYS   HA     H   1    4.987     0.001   .   1   .   .   .   A   23   CYS   HA     .   25881   1    
     255   .   1   1   26   26   CYS   HB2    H   1    3.347     0.002   .   1   .   .   .   A   23   CYS   HB2    .   25881   1    
     256   .   1   1   26   26   CYS   HB3    H   1    2.642     0.004   .   1   .   .   .   A   23   CYS   HB3    .   25881   1    
     257   .   1   1   26   26   CYS   C      C   13   176.434   0.000   .   1   .   .   .   A   23   CYS   C      .   25881   1    
     258   .   1   1   26   26   CYS   CA     C   13   58.155    0.032   .   1   .   .   .   A   23   CYS   CA     .   25881   1    
     259   .   1   1   26   26   CYS   CB     C   13   32.482    0.068   .   1   .   .   .   A   23   CYS   CB     .   25881   1    
     260   .   1   1   26   26   CYS   N      N   15   115.45    0.007   .   1   .   .   .   A   23   CYS   N      .   25881   1    
     261   .   1   1   27   27   GLY   H      H   1    7.958     0.001   .   1   .   .   .   A   24   GLY   H      .   25881   1    
     262   .   1   1   27   27   GLY   HA2    H   1    4.146     0.001   .   1   .   .   .   A   24   GLY   HA2    .   25881   1    
     263   .   1   1   27   27   GLY   HA3    H   1    3.703     0.003   .   1   .   .   .   A   24   GLY   HA3    .   25881   1    
     264   .   1   1   27   27   GLY   C      C   13   173.369   0.000   .   1   .   .   .   A   24   GLY   C      .   25881   1    
     265   .   1   1   27   27   GLY   CA     C   13   46.152    0.029   .   1   .   .   .   A   24   GLY   CA     .   25881   1    
     266   .   1   1   27   27   GLY   N      N   15   112.961   0.022   .   1   .   .   .   A   24   GLY   N      .   25881   1    
     267   .   1   1   28   28   VAL   H      H   1    8.348     0.002   .   1   .   .   .   A   25   VAL   H      .   25881   1    
     268   .   1   1   28   28   VAL   HA     H   1    3.979     0.001   .   1   .   .   .   A   25   VAL   HA     .   25881   1    
     269   .   1   1   28   28   VAL   HB     H   1    2.212     0.001   .   1   .   .   .   A   25   VAL   HB     .   25881   1    
     270   .   1   1   28   28   VAL   HG11   H   1    0.444     0.001   .   1   .   .   .   A   25   VAL   HG11   .   25881   1    
     271   .   1   1   28   28   VAL   HG12   H   1    0.444     0.001   .   1   .   .   .   A   25   VAL   HG12   .   25881   1    
     272   .   1   1   28   28   VAL   HG13   H   1    0.444     0.001   .   1   .   .   .   A   25   VAL   HG13   .   25881   1    
     273   .   1   1   28   28   VAL   HG21   H   1    1.05      0.001   .   1   .   .   .   A   25   VAL   HG21   .   25881   1    
     274   .   1   1   28   28   VAL   HG22   H   1    1.05      0.001   .   1   .   .   .   A   25   VAL   HG22   .   25881   1    
     275   .   1   1   28   28   VAL   HG23   H   1    1.05      0.001   .   1   .   .   .   A   25   VAL   HG23   .   25881   1    
     276   .   1   1   28   28   VAL   C      C   13   173.934   0.000   .   1   .   .   .   A   25   VAL   C      .   25881   1    
     277   .   1   1   28   28   VAL   CA     C   13   63.136    0.019   .   1   .   .   .   A   25   VAL   CA     .   25881   1    
     278   .   1   1   28   28   VAL   CB     C   13   31.959    0.033   .   1   .   .   .   A   25   VAL   CB     .   25881   1    
     279   .   1   1   28   28   VAL   CG1    C   13   20.921    0.034   .   1   .   .   .   A   25   VAL   CG1    .   25881   1    
     280   .   1   1   28   28   VAL   CG2    C   13   22.698    0.016   .   1   .   .   .   A   25   VAL   CG2    .   25881   1    
     281   .   1   1   28   28   VAL   N      N   15   123.968   0.006   .   1   .   .   .   A   25   VAL   N      .   25881   1    
     282   .   1   1   29   29   ARG   H      H   1    8.379     0.003   .   1   .   .   .   A   26   ARG   H      .   25881   1    
     283   .   1   1   29   29   ARG   HA     H   1    5.26      0.003   .   1   .   .   .   A   26   ARG   HA     .   25881   1    
     284   .   1   1   29   29   ARG   HB2    H   1    1.768     0.003   .   1   .   .   .   A   26   ARG   HB2    .   25881   1    
     285   .   1   1   29   29   ARG   HB3    H   1    1.635     0.011   .   1   .   .   .   A   26   ARG   HB3    .   25881   1    
     286   .   1   1   29   29   ARG   HG2    H   1    1.579     0.006   .   1   .   .   .   A   26   ARG   HG2    .   25881   1    
     287   .   1   1   29   29   ARG   HG3    H   1    1.489     0.004   .   1   .   .   .   A   26   ARG   HG3    .   25881   1    
     288   .   1   1   29   29   ARG   HD2    H   1    3.074     0.003   .   1   .   .   .   A   26   ARG   HD2    .   25881   1    
     289   .   1   1   29   29   ARG   HD3    H   1    2.912     0.004   .   1   .   .   .   A   26   ARG   HD3    .   25881   1    
     290   .   1   1   29   29   ARG   C      C   13   177.008   0.000   .   1   .   .   .   A   26   ARG   C      .   25881   1    
     291   .   1   1   29   29   ARG   CA     C   13   53.328    0.035   .   1   .   .   .   A   26   ARG   CA     .   25881   1    
     292   .   1   1   29   29   ARG   CB     C   13   29.323    0.076   .   1   .   .   .   A   26   ARG   CB     .   25881   1    
     293   .   1   1   29   29   ARG   CG     C   13   27.413    0.033   .   1   .   .   .   A   26   ARG   CG     .   25881   1    
     294   .   1   1   29   29   ARG   CD     C   13   41.726    0.037   .   1   .   .   .   A   26   ARG   CD     .   25881   1    
     295   .   1   1   29   29   ARG   N      N   15   125.641   0.016   .   1   .   .   .   A   26   ARG   N      .   25881   1    
     296   .   1   1   30   30   TYR   H      H   1    8.631     0.004   .   1   .   .   .   A   27   TYR   H      .   25881   1    
     297   .   1   1   30   30   TYR   HA     H   1    6.693     0.006   .   1   .   .   .   A   27   TYR   HA     .   25881   1    
     298   .   1   1   30   30   TYR   HB2    H   1    2.706     0.003   .   1   .   .   .   A   27   TYR   HB2    .   25881   1    
     299   .   1   1   30   30   TYR   HB3    H   1    2.579     0.005   .   1   .   .   .   A   27   TYR   HB3    .   25881   1    
     300   .   1   1   30   30   TYR   HD1    H   1    6.945     0.007   .   3   .   .   .   A   27   TYR   HD1    .   25881   1    
     301   .   1   1   30   30   TYR   HE1    H   1    6.019     0.001   .   3   .   .   .   A   27   TYR   HE1    .   25881   1    
     302   .   1   1   30   30   TYR   C      C   13   175.404   0.000   .   1   .   .   .   A   27   TYR   C      .   25881   1    
     303   .   1   1   30   30   TYR   CA     C   13   55.476    0.026   .   1   .   .   .   A   27   TYR   CA     .   25881   1    
     304   .   1   1   30   30   TYR   CB     C   13   41.903    0.063   .   1   .   .   .   A   27   TYR   CB     .   25881   1    
     305   .   1   1   30   30   TYR   CD1    C   13   133.651   0.000   .   1   .   .   .   A   27   TYR   CD1    .   25881   1    
     306   .   1   1   30   30   TYR   CE1    C   13   118.274   0.000   .   1   .   .   .   A   27   TYR   CE1    .   25881   1    
     307   .   1   1   30   30   TYR   N      N   15   117.706   0.021   .   1   .   .   .   A   27   TYR   N      .   25881   1    
     308   .   1   1   31   31   CYS   H      H   1    8.817     0.002   .   1   .   .   .   A   28   CYS   H      .   25881   1    
     309   .   1   1   31   31   CYS   HA     H   1    4.905     0.001   .   1   .   .   .   A   28   CYS   HA     .   25881   1    
     310   .   1   1   31   31   CYS   HB2    H   1    3.113     0.003   .   1   .   .   .   A   28   CYS   HB2    .   25881   1    
     311   .   1   1   31   31   CYS   HB3    H   1    2.548     0.005   .   1   .   .   .   A   28   CYS   HB3    .   25881   1    
     312   .   1   1   31   31   CYS   C      C   13   176.186   0.000   .   1   .   .   .   A   28   CYS   C      .   25881   1    
     313   .   1   1   31   31   CYS   CA     C   13   58.614    0.055   .   1   .   .   .   A   28   CYS   CA     .   25881   1    
     314   .   1   1   31   31   CYS   CB     C   13   34.827    0.069   .   1   .   .   .   A   28   CYS   CB     .   25881   1    
     315   .   1   1   31   31   CYS   N      N   15   118.515   0.011   .   1   .   .   .   A   28   CYS   N      .   25881   1    
     316   .   1   1   32   32   SER   H      H   1    7.4       0.001   .   1   .   .   .   A   29   SER   H      .   25881   1    
     317   .   1   1   32   32   SER   HA     H   1    4.877     0.004   .   1   .   .   .   A   29   SER   HA     .   25881   1    
     318   .   1   1   32   32   SER   HB2    H   1    4.25      0.004   .   1   .   .   .   A   29   SER   HB2    .   25881   1    
     319   .   1   1   32   32   SER   HB3    H   1    4.092     0.004   .   1   .   .   .   A   29   SER   HB3    .   25881   1    
     320   .   1   1   32   32   SER   C      C   13   178.077   0.000   .   1   .   .   .   A   29   SER   C      .   25881   1    
     321   .   1   1   32   32   SER   CA     C   13   57.26     0.034   .   1   .   .   .   A   29   SER   CA     .   25881   1    
     322   .   1   1   32   32   SER   CB     C   13   65.051    0.017   .   1   .   .   .   A   29   SER   CB     .   25881   1    
     323   .   1   1   32   32   SER   N      N   15   114.067   0.008   .   1   .   .   .   A   29   SER   N      .   25881   1    
     324   .   1   1   33   33   LEU   H      H   1    6.951     0.000   .   1   .   .   .   A   30   LEU   H      .   25881   1    
     325   .   1   1   33   33   LEU   HA     H   1    4.039     0.003   .   1   .   .   .   A   30   LEU   HA     .   25881   1    
     326   .   1   1   33   33   LEU   HB2    H   1    1.595     0.002   .   1   .   .   .   A   30   LEU   HB2    .   25881   1    
     327   .   1   1   33   33   LEU   HB3    H   1    1.507     0.006   .   1   .   .   .   A   30   LEU   HB3    .   25881   1    
     328   .   1   1   33   33   LEU   HG     H   1    1.541     0.003   .   1   .   .   .   A   30   LEU   HG     .   25881   1    
     329   .   1   1   33   33   LEU   HD11   H   1    0.775     0.005   .   1   .   .   .   A   30   LEU   HD11   .   25881   1    
     330   .   1   1   33   33   LEU   HD12   H   1    0.775     0.005   .   1   .   .   .   A   30   LEU   HD12   .   25881   1    
     331   .   1   1   33   33   LEU   HD13   H   1    0.775     0.005   .   1   .   .   .   A   30   LEU   HD13   .   25881   1    
     332   .   1   1   33   33   LEU   HD21   H   1    0.678     0.004   .   1   .   .   .   A   30   LEU   HD21   .   25881   1    
     333   .   1   1   33   33   LEU   HD22   H   1    0.678     0.004   .   1   .   .   .   A   30   LEU   HD22   .   25881   1    
     334   .   1   1   33   33   LEU   HD23   H   1    0.678     0.004   .   1   .   .   .   A   30   LEU   HD23   .   25881   1    
     335   .   1   1   33   33   LEU   C      C   13   178.077   0.000   .   1   .   .   .   A   30   LEU   C      .   25881   1    
     336   .   1   1   33   33   LEU   CA     C   13   57.451    0.034   .   1   .   .   .   A   30   LEU   CA     .   25881   1    
     337   .   1   1   33   33   LEU   CB     C   13   41.229    0.032   .   1   .   .   .   A   30   LEU   CB     .   25881   1    
     338   .   1   1   33   33   LEU   CG     C   13   27        0.028   .   1   .   .   .   A   30   LEU   CG     .   25881   1    
     339   .   1   1   33   33   LEU   CD1    C   13   24.018    0.024   .   1   .   .   .   A   30   LEU   CD1    .   25881   1    
     340   .   1   1   33   33   LEU   CD2    C   13   23.858    0.012   .   1   .   .   .   A   30   LEU   CD2    .   25881   1    
     341   .   1   1   34   34   LYS   H      H   1    8.03      0.001   .   1   .   .   .   A   31   LYS   H      .   25881   1    
     342   .   1   1   34   34   LYS   HA     H   1    3.79      0.001   .   1   .   .   .   A   31   LYS   HA     .   25881   1    
     343   .   1   1   34   34   LYS   HB2    H   1    1.758     0.007   .   2   .   .   .   A   31   LYS   HB2    .   25881   1    
     344   .   1   1   34   34   LYS   HB3    H   1    1.758     0.007   .   2   .   .   .   A   31   LYS   HB3    .   25881   1    
     345   .   1   1   34   34   LYS   HG2    H   1    1.352     0.005   .   1   .   .   .   A   31   LYS   HG2    .   25881   1    
     346   .   1   1   34   34   LYS   HG3    H   1    1.257     0.003   .   1   .   .   .   A   31   LYS   HG3    .   25881   1    
     347   .   1   1   34   34   LYS   HD2    H   1    1.57      0.006   .   2   .   .   .   A   31   LYS   HD2    .   25881   1    
     348   .   1   1   34   34   LYS   HD3    H   1    1.57      0.006   .   2   .   .   .   A   31   LYS   HD3    .   25881   1    
     349   .   1   1   34   34   LYS   HE2    H   1    2.872     0.004   .   2   .   .   .   A   31   LYS   HE2    .   25881   1    
     350   .   1   1   34   34   LYS   HE3    H   1    2.872     0.004   .   2   .   .   .   A   31   LYS   HE3    .   25881   1    
     351   .   1   1   34   34   LYS   C      C   13   179.162   0.000   .   1   .   .   .   A   31   LYS   C      .   25881   1    
     352   .   1   1   34   34   LYS   CA     C   13   59.867    0.045   .   1   .   .   .   A   31   LYS   CA     .   25881   1    
     353   .   1   1   34   34   LYS   CB     C   13   31.907    0.047   .   1   .   .   .   A   31   LYS   CB     .   25881   1    
     354   .   1   1   34   34   LYS   CG     C   13   24.483    0.028   .   1   .   .   .   A   31   LYS   CG     .   25881   1    
     355   .   1   1   34   34   LYS   CD     C   13   29.242    0.004   .   1   .   .   .   A   31   LYS   CD     .   25881   1    
     356   .   1   1   34   34   LYS   CE     C   13   42.187    0.003   .   1   .   .   .   A   31   LYS   CE     .   25881   1    
     357   .   1   1   34   34   LYS   N      N   15   118.534   0.026   .   1   .   .   .   A   31   LYS   N      .   25881   1    
     358   .   1   1   35   35   CYS   H      H   1    7.424     0.003   .   1   .   .   .   A   32   CYS   H      .   25881   1    
     359   .   1   1   35   35   CYS   HA     H   1    3.985     0.001   .   1   .   .   .   A   32   CYS   HA     .   25881   1    
     360   .   1   1   35   35   CYS   HB2    H   1    2.908     0.007   .   1   .   .   .   A   32   CYS   HB2    .   25881   1    
     361   .   1   1   35   35   CYS   HB3    H   1    2.699     0.005   .   1   .   .   .   A   32   CYS   HB3    .   25881   1    
     362   .   1   1   35   35   CYS   C      C   13   176.766   0.000   .   1   .   .   .   A   32   CYS   C      .   25881   1    
     363   .   1   1   35   35   CYS   CA     C   13   65.679    0.045   .   1   .   .   .   A   32   CYS   CA     .   25881   1    
     364   .   1   1   35   35   CYS   CB     C   13   29.549    0.067   .   1   .   .   .   A   32   CYS   CB     .   25881   1    
     365   .   1   1   35   35   CYS   N      N   15   118.7     0.012   .   1   .   .   .   A   32   CYS   N      .   25881   1    
     366   .   1   1   36   36   TYR   H      H   1    7.918     0.003   .   1   .   .   .   A   33   TYR   H      .   25881   1    
     367   .   1   1   36   36   TYR   HA     H   1    3.11      0.004   .   1   .   .   .   A   33   TYR   HA     .   25881   1    
     368   .   1   1   36   36   TYR   HB2    H   1    2.834     0.003   .   1   .   .   .   A   33   TYR   HB2    .   25881   1    
     369   .   1   1   36   36   TYR   HB3    H   1    2.425     0.001   .   1   .   .   .   A   33   TYR   HB3    .   25881   1    
     370   .   1   1   36   36   TYR   HD1    H   1    6.015     0.003   .   3   .   .   .   A   33   TYR   HD1    .   25881   1    
     371   .   1   1   36   36   TYR   HE1    H   1    6.781     0.005   .   3   .   .   .   A   33   TYR   HE1    .   25881   1    
     372   .   1   1   36   36   TYR   C      C   13   178.549   0.000   .   1   .   .   .   A   33   TYR   C      .   25881   1    
     373   .   1   1   36   36   TYR   CA     C   13   61.187    0.039   .   1   .   .   .   A   33   TYR   CA     .   25881   1    
     374   .   1   1   36   36   TYR   CB     C   13   38.846    0.056   .   1   .   .   .   A   33   TYR   CB     .   25881   1    
     375   .   1   1   36   36   TYR   CD1    C   13   132.737   0.032   .   1   .   .   .   A   33   TYR   CD1    .   25881   1    
     376   .   1   1   36   36   TYR   CE1    C   13   115.714   0.000   .   1   .   .   .   A   33   TYR   CE1    .   25881   1    
     377   .   1   1   36   36   TYR   N      N   15   118.151   0.007   .   1   .   .   .   A   33   TYR   N      .   25881   1    
     378   .   1   1   37   37   LYS   H      H   1    7.939     0.002   .   1   .   .   .   A   34   LYS   H      .   25881   1    
     379   .   1   1   37   37   LYS   HA     H   1    3.922     0.002   .   1   .   .   .   A   34   LYS   HA     .   25881   1    
     380   .   1   1   37   37   LYS   HB2    H   1    1.97      0.002   .   1   .   .   .   A   34   LYS   HB2    .   25881   1    
     381   .   1   1   37   37   LYS   HB3    H   1    1.642     0.003   .   1   .   .   .   A   34   LYS   HB3    .   25881   1    
     382   .   1   1   37   37   LYS   HG2    H   1    1.583     0.009   .   1   .   .   .   A   34   LYS   HG2    .   25881   1    
     383   .   1   1   37   37   LYS   HG3    H   1    1.388     0.003   .   1   .   .   .   A   34   LYS   HG3    .   25881   1    
     384   .   1   1   37   37   LYS   HD2    H   1    1.547     0.002   .   2   .   .   .   A   34   LYS   HD2    .   25881   1    
     385   .   1   1   37   37   LYS   HD3    H   1    1.547     0.002   .   2   .   .   .   A   34   LYS   HD3    .   25881   1    
     386   .   1   1   37   37   LYS   HE2    H   1    2.845     0.002   .   2   .   .   .   A   34   LYS   HE2    .   25881   1    
     387   .   1   1   37   37   LYS   HE3    H   1    2.845     0.002   .   2   .   .   .   A   34   LYS   HE3    .   25881   1    
     388   .   1   1   37   37   LYS   C      C   13   174.991   0.000   .   1   .   .   .   A   34   LYS   C      .   25881   1    
     389   .   1   1   37   37   LYS   CA     C   13   55.951    0.034   .   1   .   .   .   A   34   LYS   CA     .   25881   1    
     390   .   1   1   37   37   LYS   CB     C   13   32.145    0.059   .   1   .   .   .   A   34   LYS   CB     .   25881   1    
     391   .   1   1   37   37   LYS   CG     C   13   25.527    0.046   .   1   .   .   .   A   34   LYS   CG     .   25881   1    
     392   .   1   1   37   37   LYS   CD     C   13   29.069    0.001   .   1   .   .   .   A   34   LYS   CD     .   25881   1    
     393   .   1   1   37   37   LYS   CE     C   13   41.913    0.000   .   1   .   .   .   A   34   LYS   CE     .   25881   1    
     394   .   1   1   37   37   LYS   N      N   15   114.631   0.014   .   1   .   .   .   A   34   LYS   N      .   25881   1    
     395   .   1   1   38   38   ASP   H      H   1    7.115     0.002   .   1   .   .   .   A   35   ASP   H      .   25881   1    
     396   .   1   1   38   38   ASP   HA     H   1    4.294     0.002   .   1   .   .   .   A   35   ASP   HA     .   25881   1    
     397   .   1   1   38   38   ASP   HB2    H   1    2.956     0.001   .   1   .   .   .   A   35   ASP   HB2    .   25881   1    
     398   .   1   1   38   38   ASP   HB3    H   1    2.512     0.001   .   1   .   .   .   A   35   ASP   HB3    .   25881   1    
     399   .   1   1   38   38   ASP   C      C   13   175.48    0.000   .   1   .   .   .   A   35   ASP   C      .   25881   1    
     400   .   1   1   38   38   ASP   CA     C   13   54.339    0.034   .   1   .   .   .   A   35   ASP   CA     .   25881   1    
     401   .   1   1   38   38   ASP   CB     C   13   40.361    0.023   .   1   .   .   .   A   35   ASP   CB     .   25881   1    
     402   .   1   1   38   38   ASP   N      N   15   121.194   0.013   .   1   .   .   .   A   35   ASP   N      .   25881   1    
     403   .   1   1   39   39   ALA   H      H   1    8.073     0.001   .   1   .   .   .   A   36   ALA   H      .   25881   1    
     404   .   1   1   39   39   ALA   HA     H   1    3.887     0.001   .   1   .   .   .   A   36   ALA   HA     .   25881   1    
     405   .   1   1   39   39   ALA   HB1    H   1    1.238     0.001   .   1   .   .   .   A   36   ALA   HB1    .   25881   1    
     406   .   1   1   39   39   ALA   HB2    H   1    1.238     0.001   .   1   .   .   .   A   36   ALA   HB2    .   25881   1    
     407   .   1   1   39   39   ALA   HB3    H   1    1.238     0.001   .   1   .   .   .   A   36   ALA   HB3    .   25881   1    
     408   .   1   1   39   39   ALA   C      C   13   177.717   0.000   .   1   .   .   .   A   36   ALA   C      .   25881   1    
     409   .   1   1   39   39   ALA   CA     C   13   53.526    0.035   .   1   .   .   .   A   36   ALA   CA     .   25881   1    
     410   .   1   1   39   39   ALA   CB     C   13   18.711    0.055   .   1   .   .   .   A   36   ALA   CB     .   25881   1    
     411   .   1   1   39   39   ALA   N      N   15   130.311   0.016   .   1   .   .   .   A   36   ALA   N      .   25881   1    
     412   .   1   1   40   40   ALA   H      H   1    7.839     0.001   .   1   .   .   .   A   37   ALA   H      .   25881   1    
     413   .   1   1   40   40   ALA   HA     H   1    4.086     0.001   .   1   .   .   .   A   37   ALA   HA     .   25881   1    
     414   .   1   1   40   40   ALA   HB1    H   1    1.28      0.002   .   1   .   .   .   A   37   ALA   HB1    .   25881   1    
     415   .   1   1   40   40   ALA   HB2    H   1    1.28      0.002   .   1   .   .   .   A   37   ALA   HB2    .   25881   1    
     416   .   1   1   40   40   ALA   HB3    H   1    1.28      0.002   .   1   .   .   .   A   37   ALA   HB3    .   25881   1    
     417   .   1   1   40   40   ALA   C      C   13   178.989   0.000   .   1   .   .   .   A   37   ALA   C      .   25881   1    
     418   .   1   1   40   40   ALA   CA     C   13   53.211    0.049   .   1   .   .   .   A   37   ALA   CA     .   25881   1    
     419   .   1   1   40   40   ALA   CB     C   13   19.147    0.089   .   1   .   .   .   A   37   ALA   CB     .   25881   1    
     420   .   1   1   40   40   ALA   N      N   15   117.133   0.004   .   1   .   .   .   A   37   ALA   N      .   25881   1    
     421   .   1   1   41   41   LYS   H      H   1    7.292     0.004   .   1   .   .   .   A   38   LYS   H      .   25881   1    
     422   .   1   1   41   41   LYS   HA     H   1    4.295     0.002   .   1   .   .   .   A   38   LYS   HA     .   25881   1    
     423   .   1   1   41   41   LYS   HB2    H   1    1.811     0.002   .   1   .   .   .   A   38   LYS   HB2    .   25881   1    
     424   .   1   1   41   41   LYS   HB3    H   1    1.298     0.003   .   1   .   .   .   A   38   LYS   HB3    .   25881   1    
     425   .   1   1   41   41   LYS   HG2    H   1    1.281     0.004   .   1   .   .   .   A   38   LYS   HG2    .   25881   1    
     426   .   1   1   41   41   LYS   HG3    H   1    1.165     0.004   .   1   .   .   .   A   38   LYS   HG3    .   25881   1    
     427   .   1   1   41   41   LYS   HD2    H   1    1.556     0.005   .   1   .   .   .   A   38   LYS   HD2    .   25881   1    
     428   .   1   1   41   41   LYS   HD3    H   1    1.5       0.007   .   1   .   .   .   A   38   LYS   HD3    .   25881   1    
     429   .   1   1   41   41   LYS   HE2    H   1    2.841     0.002   .   2   .   .   .   A   38   LYS   HE2    .   25881   1    
     430   .   1   1   41   41   LYS   HE3    H   1    2.841     0.002   .   2   .   .   .   A   38   LYS   HE3    .   25881   1    
     431   .   1   1   41   41   LYS   C      C   13   175.69    0.000   .   1   .   .   .   A   38   LYS   C      .   25881   1    
     432   .   1   1   41   41   LYS   CA     C   13   56.203    0.026   .   1   .   .   .   A   38   LYS   CA     .   25881   1    
     433   .   1   1   41   41   LYS   CB     C   13   36.148    0.067   .   1   .   .   .   A   38   LYS   CB     .   25881   1    
     434   .   1   1   41   41   LYS   CG     C   13   25.528    0.035   .   1   .   .   .   A   38   LYS   CG     .   25881   1    
     435   .   1   1   41   41   LYS   CD     C   13   29.068    0.022   .   1   .   .   .   A   38   LYS   CD     .   25881   1    
     436   .   1   1   41   41   LYS   CE     C   13   42.179    0.000   .   1   .   .   .   A   38   LYS   CE     .   25881   1    
     437   .   1   1   41   41   LYS   N      N   15   114.127   0.015   .   1   .   .   .   A   38   LYS   N      .   25881   1    
     438   .   1   1   42   42   HIS   H      H   1    8.393     0.003   .   1   .   .   .   A   39   HIS   H      .   25881   1    
     439   .   1   1   42   42   HIS   HA     H   1    4.763     0.003   .   1   .   .   .   A   39   HIS   HA     .   25881   1    
     440   .   1   1   42   42   HIS   HB2    H   1    2.997     0.008   .   1   .   .   .   A   39   HIS   HB2    .   25881   1    
     441   .   1   1   42   42   HIS   HB3    H   1    2.344     0.004   .   1   .   .   .   A   39   HIS   HB3    .   25881   1    
     442   .   1   1   42   42   HIS   HD2    H   1    6.566     0.006   .   1   .   .   .   A   39   HIS   HD2    .   25881   1    
     443   .   1   1   42   42   HIS   HE1    H   1    7.119     0.003   .   1   .   .   .   A   39   HIS   HE1    .   25881   1    
     444   .   1   1   42   42   HIS   C      C   13   171.783   0.000   .   1   .   .   .   A   39   HIS   C      .   25881   1    
     445   .   1   1   42   42   HIS   CA     C   13   52.635    0.077   .   1   .   .   .   A   39   HIS   CA     .   25881   1    
     446   .   1   1   42   42   HIS   CB     C   13   27.629    0.068   .   1   .   .   .   A   39   HIS   CB     .   25881   1    
     447   .   1   1   42   42   HIS   CD2    C   13   123.913   0.029   .   1   .   .   .   A   39   HIS   CD2    .   25881   1    
     448   .   1   1   42   42   HIS   CE1    C   13   138.082   0.008   .   1   .   .   .   A   39   HIS   CE1    .   25881   1    
     449   .   1   1   42   42   HIS   N      N   15   122.11    0.029   .   1   .   .   .   A   39   HIS   N      .   25881   1    
     450   .   1   1   42   42   HIS   ND1    N   15   171.279   0.026   .   1   .   .   .   A   39   HIS   ND1    .   25881   1    
     451   .   1   1   42   42   HIS   NE2    N   15   215.575   0.020   .   1   .   .   .   A   39   HIS   NE2    .   25881   1    
     452   .   1   1   43   43   VAL   H      H   1    7.811     0.006   .   1   .   .   .   A   40   VAL   H      .   25881   1    
     453   .   1   1   43   43   VAL   HA     H   1    3.747     0.003   .   1   .   .   .   A   40   VAL   HA     .   25881   1    
     454   .   1   1   43   43   VAL   HB     H   1    1.706     0.002   .   1   .   .   .   A   40   VAL   HB     .   25881   1    
     455   .   1   1   43   43   VAL   HG11   H   1    0.622     0.008   .   1   .   .   .   A   40   VAL   HG11   .   25881   1    
     456   .   1   1   43   43   VAL   HG12   H   1    0.622     0.008   .   1   .   .   .   A   40   VAL   HG12   .   25881   1    
     457   .   1   1   43   43   VAL   HG13   H   1    0.622     0.008   .   1   .   .   .   A   40   VAL   HG13   .   25881   1    
     458   .   1   1   43   43   VAL   HG21   H   1    0.579     0.003   .   1   .   .   .   A   40   VAL   HG21   .   25881   1    
     459   .   1   1   43   43   VAL   HG22   H   1    0.579     0.003   .   1   .   .   .   A   40   VAL   HG22   .   25881   1    
     460   .   1   1   43   43   VAL   HG23   H   1    0.579     0.003   .   1   .   .   .   A   40   VAL   HG23   .   25881   1    
     461   .   1   1   43   43   VAL   C      C   13   175.292   0.000   .   1   .   .   .   A   40   VAL   C      .   25881   1    
     462   .   1   1   43   43   VAL   CA     C   13   61.164    0.057   .   1   .   .   .   A   40   VAL   CA     .   25881   1    
     463   .   1   1   43   43   VAL   CB     C   13   34.132    0.053   .   1   .   .   .   A   40   VAL   CB     .   25881   1    
     464   .   1   1   43   43   VAL   CG1    C   13   21.033    0.062   .   1   .   .   .   A   40   VAL   CG1    .   25881   1    
     465   .   1   1   43   43   VAL   CG2    C   13   20.496    0.037   .   1   .   .   .   A   40   VAL   CG2    .   25881   1    
     466   .   1   1   43   43   VAL   N      N   15   123.393   0.014   .   1   .   .   .   A   40   VAL   N      .   25881   1    
     467   .   1   1   44   44   HIS   H      H   1    8.512     0.002   .   1   .   .   .   A   41   HIS   H      .   25881   1    
     468   .   1   1   44   44   HIS   HA     H   1    4.878     0.003   .   1   .   .   .   A   41   HIS   HA     .   25881   1    
     469   .   1   1   44   44   HIS   HB2    H   1    2.884     0.005   .   1   .   .   .   A   41   HIS   HB2    .   25881   1    
     470   .   1   1   44   44   HIS   HB3    H   1    2.731     0.004   .   1   .   .   .   A   41   HIS   HB3    .   25881   1    
     471   .   1   1   44   44   HIS   HD2    H   1    6.613     0.002   .   1   .   .   .   A   41   HIS   HD2    .   25881   1    
     472   .   1   1   44   44   HIS   HE1    H   1    7.385     0.002   .   1   .   .   .   A   41   HIS   HE1    .   25881   1    
     473   .   1   1   44   44   HIS   C      C   13   174.64    0.000   .   1   .   .   .   A   41   HIS   C      .   25881   1    
     474   .   1   1   44   44   HIS   CA     C   13   52.9      0.057   .   1   .   .   .   A   41   HIS   CA     .   25881   1    
     475   .   1   1   44   44   HIS   CB     C   13   30.067    0.067   .   1   .   .   .   A   41   HIS   CB     .   25881   1    
     476   .   1   1   44   44   HIS   CD2    C   13   124.926   0.000   .   1   .   .   .   A   41   HIS   CD2    .   25881   1    
     477   .   1   1   44   44   HIS   CE1    C   13   138.536   0.028   .   1   .   .   .   A   41   HIS   CE1    .   25881   1    
     478   .   1   1   44   44   HIS   N      N   15   125.669   0.015   .   1   .   .   .   A   41   HIS   N      .   25881   1    
     479   .   1   1   44   44   HIS   ND1    N   15   173.269   0.080   .   1   .   .   .   A   41   HIS   ND1    .   25881   1    
     480   .   1   1   44   44   HIS   NE2    N   15   211.535   0.002   .   1   .   .   .   A   41   HIS   NE2    .   25881   1    
     481   .   1   1   45   45   LYS   H      H   1    8.668     0.001   .   1   .   .   .   A   42   LYS   H      .   25881   1    
     482   .   1   1   45   45   LYS   C      C   13   176.739   0.000   .   1   .   .   .   A   42   LYS   C      .   25881   1    
     483   .   1   1   45   45   LYS   CA     C   13   56.32     0.034   .   1   .   .   .   A   42   LYS   CA     .   25881   1    
     484   .   1   1   45   45   LYS   CB     C   13   33.229    0.000   .   1   .   .   .   A   42   LYS   CB     .   25881   1    
     485   .   1   1   45   45   LYS   N      N   15   123.564   0.021   .   1   .   .   .   A   42   LYS   N      .   25881   1    
     486   .   1   1   46   46   GLU   H      H   1    8.59      0.001   .   1   .   .   .   A   43   GLU   H      .   25881   1    
     487   .   1   1   46   46   GLU   HA     H   1    4.11      0.005   .   1   .   .   .   A   43   GLU   HA     .   25881   1    
     488   .   1   1   46   46   GLU   HB2    H   1    1.922     0.004   .   1   .   .   .   A   43   GLU   HB2    .   25881   1    
     489   .   1   1   46   46   GLU   HB3    H   1    1.797     0.003   .   1   .   .   .   A   43   GLU   HB3    .   25881   1    
     490   .   1   1   46   46   GLU   HG2    H   1    2.133     0.003   .   2   .   .   .   A   43   GLU   HG2    .   25881   1    
     491   .   1   1   46   46   GLU   HG3    H   1    2.133     0.003   .   2   .   .   .   A   43   GLU   HG3    .   25881   1    
     492   .   1   1   46   46   GLU   C      C   13   176.569   0.000   .   1   .   .   .   A   43   GLU   C      .   25881   1    
     493   .   1   1   46   46   GLU   CA     C   13   57.097    0.024   .   1   .   .   .   A   43   GLU   CA     .   25881   1    
     494   .   1   1   46   46   GLU   CB     C   13   29.948    0.036   .   1   .   .   .   A   43   GLU   CB     .   25881   1    
     495   .   1   1   46   46   GLU   CG     C   13   36.107    0.016   .   1   .   .   .   A   43   GLU   CG     .   25881   1    
     496   .   1   1   46   46   GLU   N      N   15   122.633   0.041   .   1   .   .   .   A   43   GLU   N      .   25881   1    
     497   .   1   1   47   47   SER   H      H   1    8.105     0.001   .   1   .   .   .   A   44   SER   H      .   25881   1    
     498   .   1   1   47   47   SER   HA     H   1    4.268     0.004   .   1   .   .   .   A   44   SER   HA     .   25881   1    
     499   .   1   1   47   47   SER   C      C   13   174.336   0.000   .   1   .   .   .   A   44   SER   C      .   25881   1    
     500   .   1   1   47   47   SER   CA     C   13   58.348    0.095   .   1   .   .   .   A   44   SER   CA     .   25881   1    
     501   .   1   1   47   47   SER   CB     C   13   63.724    0.000   .   1   .   .   .   A   44   SER   CB     .   25881   1    
     502   .   1   1   47   47   SER   N      N   15   115.147   0.004   .   1   .   .   .   A   44   SER   N      .   25881   1    
     503   .   1   1   48   48   GLU   H      H   1    8.183     0.002   .   1   .   .   .   A   45   GLU   H      .   25881   1    
     504   .   1   1   48   48   GLU   HA     H   1    4.163     0.001   .   1   .   .   .   A   45   GLU   HA     .   25881   1    
     505   .   1   1   48   48   GLU   HB2    H   1    1.89      0.005   .   1   .   .   .   A   45   GLU   HB2    .   25881   1    
     506   .   1   1   48   48   GLU   HB3    H   1    1.779     0.003   .   1   .   .   .   A   45   GLU   HB3    .   25881   1    
     507   .   1   1   48   48   GLU   HG2    H   1    2.097     0.003   .   2   .   .   .   A   45   GLU   HG2    .   25881   1    
     508   .   1   1   48   48   GLU   HG3    H   1    2.097     0.003   .   2   .   .   .   A   45   GLU   HG3    .   25881   1    
     509   .   1   1   48   48   GLU   C      C   13   175.304   0.000   .   1   .   .   .   A   45   GLU   C      .   25881   1    
     510   .   1   1   48   48   GLU   CA     C   13   56.412    0.048   .   1   .   .   .   A   45   GLU   CA     .   25881   1    
     511   .   1   1   48   48   GLU   CB     C   13   30.13     0.059   .   1   .   .   .   A   45   GLU   CB     .   25881   1    
     512   .   1   1   48   48   GLU   CG     C   13   36.259    0.061   .   1   .   .   .   A   45   GLU   CG     .   25881   1    
     513   .   1   1   48   48   GLU   N      N   15   122.849   0.016   .   1   .   .   .   A   45   GLU   N      .   25881   1    
     514   .   1   1   49   49   GLN   H      H   1    7.691     0.003   .   1   .   .   .   A   46   GLN   H      .   25881   1    
     515   .   1   1   49   49   GLN   HE21   H   1    7.332     0.004   .   1   .   .   .   A   46   GLN   HE21   .   25881   1    
     516   .   1   1   49   49   GLN   HE22   H   1    6.661     0.000   .   1   .   .   .   A   46   GLN   HE22   .   25881   1    
     517   .   1   1   49   49   GLN   C      C   13   175.304   0.000   .   1   .   .   .   A   46   GLN   C      .   25881   1    
     518   .   1   1   49   49   GLN   CA     C   13   57.347    0.000   .   1   .   .   .   A   46   GLN   CA     .   25881   1    
     519   .   1   1   49   49   GLN   N      N   15   125.043   0.025   .   1   .   .   .   A   46   GLN   N      .   25881   1    
     520   .   1   1   49   49   GLN   NE2    N   15   112.302   0.016   .   1   .   .   .   A   46   GLN   NE2    .   25881   1    

   stop_

save_

     ###################################
     #  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_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_2
   _Assigned_chem_shift_list.Entry_ID                     25881
   _Assigned_chem_shift_list.ID                           2
   _Assigned_chem_shift_list.Sample_condition_list_ID     2
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_2
   _Assigned_chem_shift_list.Chem_shift_reference_ID      2
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_2
   _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

     14   '2D 1H-15N HSQC'             .   .   .   25881   2    
     16   '2D 1H-13C HSQC aliphatic'   .   .   .   25881   2    
     17   '2D 1H-13C HSQC aromatic'    .   .   .   25881   2    

   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    PRO   HA     H   1    4.453     0.003   .   1   .   .   .   A   -1   PRO   HA     .   25881   2    
     2     .   1   1   2    2    PRO   HB2    H   1    2.257     0.007   .   1   .   .   .   A   -1   PRO   HB2    .   25881   2    
     3     .   1   1   2    2    PRO   HB3    H   1    1.854     0.002   .   1   .   .   .   A   -1   PRO   HB3    .   25881   2    
     4     .   1   1   2    2    PRO   HG2    H   1    1.996     0.003   .   1   .   .   .   A   -1   PRO   HG2    .   25881   2    
     5     .   1   1   2    2    PRO   HG3    H   1    1.926     0.005   .   1   .   .   .   A   -1   PRO   HG3    .   25881   2    
     6     .   1   1   2    2    PRO   HD2    H   1    3.562     0.000   .   2   .   .   .   A   -1   PRO   HD2    .   25881   2    
     7     .   1   1   2    2    PRO   HD3    H   1    3.562     0.000   .   2   .   .   .   A   -1   PRO   HD3    .   25881   2    
     8     .   1   1   2    2    PRO   CA     C   13   63.153    0.013   .   1   .   .   .   A   -1   PRO   CA     .   25881   2    
     9     .   1   1   2    2    PRO   CB     C   13   32.312    0.029   .   1   .   .   .   A   -1   PRO   CB     .   25881   2    
     10    .   1   1   2    2    PRO   CG     C   13   26.904    0.034   .   1   .   .   .   A   -1   PRO   CG     .   25881   2    
     11    .   1   1   2    2    PRO   CD     C   13   49.677    0.002   .   1   .   .   .   A   -1   PRO   CD     .   25881   2    
     12    .   1   1   4    4    MET   HA     H   1    4.142     0.001   .   1   .   .   .   A   1    MET   HA     .   25881   2    
     13    .   1   1   4    4    MET   HB2    H   1    2.298     0.001   .   2   .   .   .   A   1    MET   HB2    .   25881   2    
     14    .   1   1   4    4    MET   HB3    H   1    2.298     0.001   .   2   .   .   .   A   1    MET   HB3    .   25881   2    
     15    .   1   1   4    4    MET   HE1    H   1    2.084     0.001   .   1   .   .   .   A   1    MET   HE1    .   25881   2    
     16    .   1   1   4    4    MET   HE2    H   1    2.084     0.001   .   1   .   .   .   A   1    MET   HE2    .   25881   2    
     17    .   1   1   4    4    MET   HE3    H   1    2.084     0.001   .   1   .   .   .   A   1    MET   HE3    .   25881   2    
     18    .   1   1   4    4    MET   CA     C   13   57.47     0.018   .   1   .   .   .   A   1    MET   CA     .   25881   2    
     19    .   1   1   4    4    MET   CB     C   13   34.341    0.018   .   1   .   .   .   A   1    MET   CB     .   25881   2    
     20    .   1   1   4    4    MET   CE     C   13   17.041    0.024   .   1   .   .   .   A   1    MET   CE     .   25881   2    
     21    .   1   1   5    5    VAL   CA     C   13   55.353    0.000   .   1   .   .   .   A   2    VAL   CA     .   25881   2    
     22    .   1   1   5    5    VAL   CB     C   13   33.283    0.000   .   1   .   .   .   A   2    VAL   CB     .   25881   2    
     23    .   1   1   6    6    SER   H      H   1    8.133     0.000   .   1   .   .   .   A   3    SER   H      .   25881   2    
     24    .   1   1   6    6    SER   HA     H   1    4.475     0.000   .   1   .   .   .   A   3    SER   HA     .   25881   2    
     25    .   1   1   6    6    SER   CA     C   13   62.447    0.000   .   1   .   .   .   A   3    SER   CA     .   25881   2    
     26    .   1   1   6    6    SER   N      N   15   121.661   0.000   .   1   .   .   .   A   3    SER   N      .   25881   2    
     27    .   1   1   8    8    ALA   H      H   1    8.191     0.000   .   1   .   .   .   A   5    ALA   H      .   25881   2    
     28    .   1   1   8    8    ALA   HA     H   1    4.333     0.002   .   1   .   .   .   A   5    ALA   HA     .   25881   2    
     29    .   1   1   8    8    ALA   HB1    H   1    1.347     0.001   .   1   .   .   .   A   5    ALA   HB1    .   25881   2    
     30    .   1   1   8    8    ALA   HB2    H   1    1.347     0.001   .   1   .   .   .   A   5    ALA   HB2    .   25881   2    
     31    .   1   1   8    8    ALA   HB3    H   1    1.347     0.001   .   1   .   .   .   A   5    ALA   HB3    .   25881   2    
     32    .   1   1   8    8    ALA   CA     C   13   52.574    0.008   .   1   .   .   .   A   5    ALA   CA     .   25881   2    
     33    .   1   1   8    8    ALA   CB     C   13   19.33     0.013   .   1   .   .   .   A   5    ALA   CB     .   25881   2    
     34    .   1   1   8    8    ALA   N      N   15   125.911   0.000   .   1   .   .   .   A   5    ALA   N      .   25881   2    
     35    .   1   1   9    9    VAL   H      H   1    7.916     0.001   .   1   .   .   .   A   6    VAL   H      .   25881   2    
     36    .   1   1   9    9    VAL   HA     H   1    4.121     0.006   .   1   .   .   .   A   6    VAL   HA     .   25881   2    
     37    .   1   1   9    9    VAL   HB     H   1    1.982     0.006   .   1   .   .   .   A   6    VAL   HB     .   25881   2    
     38    .   1   1   9    9    VAL   HG11   H   1    0.896     0.003   .   1   .   .   .   A   6    VAL   HG11   .   25881   2    
     39    .   1   1   9    9    VAL   HG12   H   1    0.896     0.003   .   1   .   .   .   A   6    VAL   HG12   .   25881   2    
     40    .   1   1   9    9    VAL   HG13   H   1    0.896     0.003   .   1   .   .   .   A   6    VAL   HG13   .   25881   2    
     41    .   1   1   9    9    VAL   HG21   H   1    0.879     0.002   .   1   .   .   .   A   6    VAL   HG21   .   25881   2    
     42    .   1   1   9    9    VAL   HG22   H   1    0.879     0.002   .   1   .   .   .   A   6    VAL   HG22   .   25881   2    
     43    .   1   1   9    9    VAL   HG23   H   1    0.879     0.002   .   1   .   .   .   A   6    VAL   HG23   .   25881   2    
     44    .   1   1   9    9    VAL   CA     C   13   61.76     0.027   .   1   .   .   .   A   6    VAL   CA     .   25881   2    
     45    .   1   1   9    9    VAL   CB     C   13   32.998    0.082   .   1   .   .   .   A   6    VAL   CB     .   25881   2    
     46    .   1   1   9    9    VAL   CG1    C   13   21.473    0.014   .   1   .   .   .   A   6    VAL   CG1    .   25881   2    
     47    .   1   1   9    9    VAL   CG2    C   13   20.402    0.063   .   1   .   .   .   A   6    VAL   CG2    .   25881   2    
     48    .   1   1   9    9    VAL   N      N   15   118.597   0.029   .   1   .   .   .   A   6    VAL   N      .   25881   2    
     49    .   1   1   10   10   LYS   H      H   1    8.08      0.007   .   1   .   .   .   A   7    LYS   H      .   25881   2    
     50    .   1   1   10   10   LYS   HA     H   1    4.314     0.003   .   1   .   .   .   A   7    LYS   HA     .   25881   2    
     51    .   1   1   10   10   LYS   HB2    H   1    1.657     0.003   .   1   .   .   .   A   7    LYS   HB2    .   25881   2    
     52    .   1   1   10   10   LYS   HB3    H   1    1.512     0.004   .   1   .   .   .   A   7    LYS   HB3    .   25881   2    
     53    .   1   1   10   10   LYS   HG2    H   1    1.308     0.005   .   2   .   .   .   A   7    LYS   HG2    .   25881   2    
     54    .   1   1   10   10   LYS   HG3    H   1    1.308     0.005   .   2   .   .   .   A   7    LYS   HG3    .   25881   2    
     55    .   1   1   10   10   LYS   HD2    H   1    1.406     0.011   .   2   .   .   .   A   7    LYS   HD2    .   25881   2    
     56    .   1   1   10   10   LYS   HD3    H   1    1.406     0.011   .   2   .   .   .   A   7    LYS   HD3    .   25881   2    
     57    .   1   1   10   10   LYS   CA     C   13   55.424    0.032   .   1   .   .   .   A   7    LYS   CA     .   25881   2    
     58    .   1   1   10   10   LYS   CB     C   13   33.725    0.021   .   1   .   .   .   A   7    LYS   CB     .   25881   2    
     59    .   1   1   10   10   LYS   CG     C   13   25.165    0.054   .   1   .   .   .   A   7    LYS   CG     .   25881   2    
     60    .   1   1   10   10   LYS   CD     C   13   33.279    0.000   .   1   .   .   .   A   7    LYS   CD     .   25881   2    
     61    .   1   1   10   10   LYS   N      N   15   123.783   0.011   .   1   .   .   .   A   7    LYS   N      .   25881   2    
     62    .   1   1   11   11   CYS   H      H   1    8.622     0.001   .   1   .   .   .   A   8    CYS   H      .   25881   2    
     63    .   1   1   11   11   CYS   HA     H   1    3.792     0.002   .   1   .   .   .   A   8    CYS   HA     .   25881   2    
     64    .   1   1   11   11   CYS   HB2    H   1    3.318     0.002   .   1   .   .   .   A   8    CYS   HB2    .   25881   2    
     65    .   1   1   11   11   CYS   HB3    H   1    2.585     0.002   .   1   .   .   .   A   8    CYS   HB3    .   25881   2    
     66    .   1   1   11   11   CYS   CA     C   13   59.956    0.016   .   1   .   .   .   A   8    CYS   CA     .   25881   2    
     67    .   1   1   11   11   CYS   CB     C   13   31.153    0.012   .   1   .   .   .   A   8    CYS   CB     .   25881   2    
     68    .   1   1   11   11   CYS   N      N   15   121.553   0.005   .   1   .   .   .   A   8    CYS   N      .   25881   2    
     69    .   1   1   12   12   GLY   H      H   1    9.457     0.002   .   1   .   .   .   A   9    GLY   H      .   25881   2    
     70    .   1   1   12   12   GLY   HA2    H   1    4.157     0.002   .   1   .   .   .   A   9    GLY   HA2    .   25881   2    
     71    .   1   1   12   12   GLY   HA3    H   1    3.785     0.003   .   1   .   .   .   A   9    GLY   HA3    .   25881   2    
     72    .   1   1   12   12   GLY   CA     C   13   46.357    0.000   .   1   .   .   .   A   9    GLY   CA     .   25881   2    
     73    .   1   1   12   12   GLY   N      N   15   118.658   0.007   .   1   .   .   .   A   9    GLY   N      .   25881   2    
     74    .   1   1   13   13   ILE   H      H   1    9.113     0.002   .   1   .   .   .   A   10   ILE   H      .   25881   2    
     75    .   1   1   13   13   ILE   HA     H   1    4.141     0.004   .   1   .   .   .   A   10   ILE   HA     .   25881   2    
     76    .   1   1   13   13   ILE   HB     H   1    2.218     0.002   .   1   .   .   .   A   10   ILE   HB     .   25881   2    
     77    .   1   1   13   13   ILE   HG12   H   1    1.323     0.002   .   2   .   .   .   A   10   ILE   HG12   .   25881   2    
     78    .   1   1   13   13   ILE   HG13   H   1    1.323     0.002   .   2   .   .   .   A   10   ILE   HG13   .   25881   2    
     79    .   1   1   13   13   ILE   HG21   H   1    1.063     0.001   .   1   .   .   .   A   10   ILE   HG21   .   25881   2    
     80    .   1   1   13   13   ILE   HG22   H   1    1.063     0.001   .   1   .   .   .   A   10   ILE   HG22   .   25881   2    
     81    .   1   1   13   13   ILE   HG23   H   1    1.063     0.001   .   1   .   .   .   A   10   ILE   HG23   .   25881   2    
     82    .   1   1   13   13   ILE   HD11   H   1    0.502     0.003   .   1   .   .   .   A   10   ILE   HD11   .   25881   2    
     83    .   1   1   13   13   ILE   HD12   H   1    0.502     0.003   .   1   .   .   .   A   10   ILE   HD12   .   25881   2    
     84    .   1   1   13   13   ILE   HD13   H   1    0.502     0.003   .   1   .   .   .   A   10   ILE   HD13   .   25881   2    
     85    .   1   1   13   13   ILE   CA     C   13   63.246    0.077   .   1   .   .   .   A   10   ILE   CA     .   25881   2    
     86    .   1   1   13   13   ILE   CB     C   13   38.091    0.022   .   1   .   .   .   A   10   ILE   CB     .   25881   2    
     87    .   1   1   13   13   ILE   CG1    C   13   27.737    0.019   .   1   .   .   .   A   10   ILE   CG1    .   25881   2    
     88    .   1   1   13   13   ILE   CG2    C   13   18.483    0.012   .   1   .   .   .   A   10   ILE   CG2    .   25881   2    
     89    .   1   1   13   13   ILE   CD1    C   13   12.063    0.022   .   1   .   .   .   A   10   ILE   CD1    .   25881   2    
     90    .   1   1   13   13   ILE   N      N   15   123.066   0.004   .   1   .   .   .   A   10   ILE   N      .   25881   2    
     91    .   1   1   14   14   CYS   H      H   1    8.591     0.002   .   1   .   .   .   A   11   CYS   H      .   25881   2    
     92    .   1   1   14   14   CYS   HA     H   1    4.79      0.002   .   1   .   .   .   A   11   CYS   HA     .   25881   2    
     93    .   1   1   14   14   CYS   HB2    H   1    3.177     0.002   .   1   .   .   .   A   11   CYS   HB2    .   25881   2    
     94    .   1   1   14   14   CYS   HB3    H   1    2.999     0.003   .   1   .   .   .   A   11   CYS   HB3    .   25881   2    
     95    .   1   1   14   14   CYS   CA     C   13   59.283    0.039   .   1   .   .   .   A   11   CYS   CA     .   25881   2    
     96    .   1   1   14   14   CYS   CB     C   13   32.072    0.015   .   1   .   .   .   A   11   CYS   CB     .   25881   2    
     97    .   1   1   14   14   CYS   N      N   15   118.474   0.003   .   1   .   .   .   A   11   CYS   N      .   25881   2    
     98    .   1   1   15   15   ARG   H      H   1    7.42      0.002   .   1   .   .   .   A   12   ARG   H      .   25881   2    
     99    .   1   1   15   15   ARG   HA     H   1    4.363     0.002   .   1   .   .   .   A   12   ARG   HA     .   25881   2    
     100   .   1   1   15   15   ARG   HB2    H   1    2.057     0.005   .   1   .   .   .   A   12   ARG   HB2    .   25881   2    
     101   .   1   1   15   15   ARG   HB3    H   1    2.194     0.001   .   1   .   .   .   A   12   ARG   HB3    .   25881   2    
     102   .   1   1   15   15   ARG   HG2    H   1    1.531     0.003   .   2   .   .   .   A   12   ARG   HG2    .   25881   2    
     103   .   1   1   15   15   ARG   HG3    H   1    1.531     0.003   .   2   .   .   .   A   12   ARG   HG3    .   25881   2    
     104   .   1   1   15   15   ARG   HD2    H   1    3.19      0.005   .   2   .   .   .   A   12   ARG   HD2    .   25881   2    
     105   .   1   1   15   15   ARG   HD3    H   1    3.19      0.005   .   2   .   .   .   A   12   ARG   HD3    .   25881   2    
     106   .   1   1   15   15   ARG   CA     C   13   58.04     0.000   .   1   .   .   .   A   12   ARG   CA     .   25881   2    
     107   .   1   1   15   15   ARG   CB     C   13   27.389    0.031   .   1   .   .   .   A   12   ARG   CB     .   25881   2    
     108   .   1   1   15   15   ARG   CG     C   13   27.584    0.064   .   1   .   .   .   A   12   ARG   CG     .   25881   2    
     109   .   1   1   15   15   ARG   CD     C   13   43.292    0.029   .   1   .   .   .   A   12   ARG   CD     .   25881   2    
     110   .   1   1   15   15   ARG   N      N   15   116.377   0.009   .   1   .   .   .   A   12   ARG   N      .   25881   2    
     111   .   1   1   16   16   GLY   H      H   1    8.87      0.002   .   1   .   .   .   A   13   GLY   H      .   25881   2    
     112   .   1   1   16   16   GLY   HA2    H   1    4.335     0.003   .   1   .   .   .   A   13   GLY   HA2    .   25881   2    
     113   .   1   1   16   16   GLY   HA3    H   1    3.935     0.002   .   1   .   .   .   A   13   GLY   HA3    .   25881   2    
     114   .   1   1   16   16   GLY   CA     C   13   44.727    0.014   .   1   .   .   .   A   13   GLY   CA     .   25881   2    
     115   .   1   1   16   16   GLY   N      N   15   109.566   0.003   .   1   .   .   .   A   13   GLY   N      .   25881   2    
     116   .   1   1   17   17   VAL   H      H   1    7.31      0.001   .   1   .   .   .   A   14   VAL   H      .   25881   2    
     117   .   1   1   17   17   VAL   HA     H   1    4.237     0.002   .   1   .   .   .   A   14   VAL   HA     .   25881   2    
     118   .   1   1   17   17   VAL   HB     H   1    2.179     0.002   .   1   .   .   .   A   14   VAL   HB     .   25881   2    
     119   .   1   1   17   17   VAL   HG11   H   1    1.045     0.002   .   1   .   .   .   A   14   VAL   HG11   .   25881   2    
     120   .   1   1   17   17   VAL   HG12   H   1    1.045     0.002   .   1   .   .   .   A   14   VAL   HG12   .   25881   2    
     121   .   1   1   17   17   VAL   HG13   H   1    1.045     0.002   .   1   .   .   .   A   14   VAL   HG13   .   25881   2    
     122   .   1   1   17   17   VAL   HG21   H   1    0.935     0.002   .   1   .   .   .   A   14   VAL   HG21   .   25881   2    
     123   .   1   1   17   17   VAL   HG22   H   1    0.935     0.002   .   1   .   .   .   A   14   VAL   HG22   .   25881   2    
     124   .   1   1   17   17   VAL   HG23   H   1    0.935     0.002   .   1   .   .   .   A   14   VAL   HG23   .   25881   2    
     125   .   1   1   17   17   VAL   CA     C   13   61.231    0.019   .   1   .   .   .   A   14   VAL   CA     .   25881   2    
     126   .   1   1   17   17   VAL   CB     C   13   34.227    0.028   .   1   .   .   .   A   14   VAL   CB     .   25881   2    
     127   .   1   1   17   17   VAL   CG1    C   13   21.849    0.031   .   1   .   .   .   A   14   VAL   CG1    .   25881   2    
     128   .   1   1   17   17   VAL   CG2    C   13   20.244    0.000   .   1   .   .   .   A   14   VAL   CG2    .   25881   2    
     129   .   1   1   17   17   VAL   N      N   15   114.553   0.005   .   1   .   .   .   A   14   VAL   N      .   25881   2    
     130   .   1   1   18   18   ASP   H      H   1    8.288     0.003   .   1   .   .   .   A   15   ASP   H      .   25881   2    
     131   .   1   1   18   18   ASP   HA     H   1    4.403     0.002   .   1   .   .   .   A   15   ASP   HA     .   25881   2    
     132   .   1   1   18   18   ASP   HB2    H   1    2.701     0.002   .   1   .   .   .   A   15   ASP   HB2    .   25881   2    
     133   .   1   1   18   18   ASP   HB3    H   1    2.461     0.002   .   1   .   .   .   A   15   ASP   HB3    .   25881   2    
     134   .   1   1   18   18   ASP   CA     C   13   55.283    0.014   .   1   .   .   .   A   15   ASP   CA     .   25881   2    
     135   .   1   1   18   18   ASP   CB     C   13   40.31     0.007   .   1   .   .   .   A   15   ASP   CB     .   25881   2    
     136   .   1   1   18   18   ASP   N      N   15   120.828   0.001   .   1   .   .   .   A   15   ASP   N      .   25881   2    
     137   .   1   1   19   19   GLY   H      H   1    8.734     0.002   .   1   .   .   .   A   16   GLY   H      .   25881   2    
     138   .   1   1   19   19   GLY   HA2    H   1    3.659     0.001   .   1   .   .   .   A   16   GLY   HA2    .   25881   2    
     139   .   1   1   19   19   GLY   HA3    H   1    2.783     0.003   .   1   .   .   .   A   16   GLY   HA3    .   25881   2    
     140   .   1   1   19   19   GLY   CA     C   13   46.176    0.017   .   1   .   .   .   A   16   GLY   CA     .   25881   2    
     141   .   1   1   19   19   GLY   N      N   15   109.526   0.006   .   1   .   .   .   A   16   GLY   N      .   25881   2    
     142   .   1   1   20   20   LYS   H      H   1    7.403     0.002   .   1   .   .   .   A   17   LYS   H      .   25881   2    
     143   .   1   1   20   20   LYS   HA     H   1    3.823     0.003   .   1   .   .   .   A   17   LYS   HA     .   25881   2    
     144   .   1   1   20   20   LYS   HB2    H   1    1.186     0.005   .   2   .   .   .   A   17   LYS   HB2    .   25881   2    
     145   .   1   1   20   20   LYS   HB3    H   1    1.186     0.005   .   2   .   .   .   A   17   LYS   HB3    .   25881   2    
     146   .   1   1   20   20   LYS   HG2    H   1    0.804     0.005   .   1   .   .   .   A   17   LYS   HG2    .   25881   2    
     147   .   1   1   20   20   LYS   HG3    H   1    0.584     0.003   .   1   .   .   .   A   17   LYS   HG3    .   25881   2    
     148   .   1   1   20   20   LYS   HD2    H   1    1.433     0.004   .   2   .   .   .   A   17   LYS   HD2    .   25881   2    
     149   .   1   1   20   20   LYS   HD3    H   1    1.433     0.004   .   2   .   .   .   A   17   LYS   HD3    .   25881   2    
     150   .   1   1   20   20   LYS   HE2    H   1    2.84      0.005   .   2   .   .   .   A   17   LYS   HE2    .   25881   2    
     151   .   1   1   20   20   LYS   HE3    H   1    2.84      0.005   .   2   .   .   .   A   17   LYS   HE3    .   25881   2    
     152   .   1   1   20   20   LYS   CA     C   13   57.749    0.030   .   1   .   .   .   A   17   LYS   CA     .   25881   2    
     153   .   1   1   20   20   LYS   CB     C   13   33.406    0.011   .   1   .   .   .   A   17   LYS   CB     .   25881   2    
     154   .   1   1   20   20   LYS   CG     C   13   23.832    0.027   .   1   .   .   .   A   17   LYS   CG     .   25881   2    
     155   .   1   1   20   20   LYS   CD     C   13   29.238    0.019   .   1   .   .   .   A   17   LYS   CD     .   25881   2    
     156   .   1   1   20   20   LYS   CE     C   13   42.026    0.022   .   1   .   .   .   A   17   LYS   CE     .   25881   2    
     157   .   1   1   20   20   LYS   N      N   15   121.934   0.011   .   1   .   .   .   A   17   LYS   N      .   25881   2    
     158   .   1   1   21   21   TYR   H      H   1    7.755     0.001   .   1   .   .   .   A   18   TYR   H      .   25881   2    
     159   .   1   1   21   21   TYR   HA     H   1    4.608     0.004   .   1   .   .   .   A   18   TYR   HA     .   25881   2    
     160   .   1   1   21   21   TYR   HB2    H   1    2.406     0.002   .   1   .   .   .   A   18   TYR   HB2    .   25881   2    
     161   .   1   1   21   21   TYR   HB3    H   1    0.911     0.002   .   1   .   .   .   A   18   TYR   HB3    .   25881   2    
     162   .   1   1   21   21   TYR   HD1    H   1    6.783     0.003   .   3   .   .   .   A   18   TYR   HD1    .   25881   2    
     163   .   1   1   21   21   TYR   HE1    H   1    6.711     0.000   .   3   .   .   .   A   18   TYR   HE1    .   25881   2    
     164   .   1   1   21   21   TYR   CB     C   13   38.801    0.021   .   1   .   .   .   A   18   TYR   CB     .   25881   2    
     165   .   1   1   21   21   TYR   CD1    C   13   133.51    0.000   .   1   .   .   .   A   18   TYR   CD1    .   25881   2    
     166   .   1   1   21   21   TYR   CE1    C   13   117.691   0.000   .   1   .   .   .   A   18   TYR   CE1    .   25881   2    
     167   .   1   1   21   21   TYR   N      N   15   119.08    0.007   .   1   .   .   .   A   18   TYR   N      .   25881   2    
     168   .   1   1   22   22   LYS   H      H   1    8.453     0.001   .   1   .   .   .   A   19   LYS   H      .   25881   2    
     169   .   1   1   22   22   LYS   HA     H   1    5.091     0.002   .   1   .   .   .   A   19   LYS   HA     .   25881   2    
     170   .   1   1   22   22   LYS   HB2    H   1    1.673     0.003   .   1   .   .   .   A   19   LYS   HB2    .   25881   2    
     171   .   1   1   22   22   LYS   HB3    H   1    1.449     0.003   .   1   .   .   .   A   19   LYS   HB3    .   25881   2    
     172   .   1   1   22   22   LYS   HG2    H   1    1.231     0.009   .   1   .   .   .   A   19   LYS   HG2    .   25881   2    
     173   .   1   1   22   22   LYS   HG3    H   1    1.131     0.010   .   1   .   .   .   A   19   LYS   HG3    .   25881   2    
     174   .   1   1   22   22   LYS   HD2    H   1    1.634     0.000   .   2   .   .   .   A   19   LYS   HD2    .   25881   2    
     175   .   1   1   22   22   LYS   HD3    H   1    1.634     0.000   .   2   .   .   .   A   19   LYS   HD3    .   25881   2    
     176   .   1   1   22   22   LYS   HE2    H   1    2.999     0.001   .   2   .   .   .   A   19   LYS   HE2    .   25881   2    
     177   .   1   1   22   22   LYS   HE3    H   1    2.999     0.001   .   2   .   .   .   A   19   LYS   HE3    .   25881   2    
     178   .   1   1   22   22   LYS   CA     C   13   54.701    0.025   .   1   .   .   .   A   19   LYS   CA     .   25881   2    
     179   .   1   1   22   22   LYS   CB     C   13   36.085    0.047   .   1   .   .   .   A   19   LYS   CB     .   25881   2    
     180   .   1   1   22   22   LYS   CG     C   13   24.793    0.024   .   1   .   .   .   A   19   LYS   CG     .   25881   2    
     181   .   1   1   22   22   LYS   CD     C   13   29.747    0.076   .   1   .   .   .   A   19   LYS   CD     .   25881   2    
     182   .   1   1   22   22   LYS   CE     C   13   42.133    0.003   .   1   .   .   .   A   19   LYS   CE     .   25881   2    
     183   .   1   1   22   22   LYS   N      N   15   120.09    0.015   .   1   .   .   .   A   19   LYS   N      .   25881   2    
     184   .   1   1   23   23   CYS   H      H   1    9.486     0.003   .   1   .   .   .   A   20   CYS   H      .   25881   2    
     185   .   1   1   23   23   CYS   HA     H   1    5.082     0.000   .   1   .   .   .   A   20   CYS   HA     .   25881   2    
     186   .   1   1   23   23   CYS   HB2    H   1    3.58      0.002   .   1   .   .   .   A   20   CYS   HB2    .   25881   2    
     187   .   1   1   23   23   CYS   HB3    H   1    3.021     0.002   .   1   .   .   .   A   20   CYS   HB3    .   25881   2    
     188   .   1   1   23   23   CYS   CA     C   13   57.419    0.011   .   1   .   .   .   A   20   CYS   CA     .   25881   2    
     189   .   1   1   23   23   CYS   CB     C   13   31.04     0.042   .   1   .   .   .   A   20   CYS   CB     .   25881   2    
     190   .   1   1   23   23   CYS   N      N   15   130.879   0.003   .   1   .   .   .   A   20   CYS   N      .   25881   2    
     191   .   1   1   24   24   PRO   HA     H   1    4.55      0.007   .   1   .   .   .   A   21   PRO   HA     .   25881   2    
     192   .   1   1   24   24   PRO   HB2    H   1    2.458     0.002   .   1   .   .   .   A   21   PRO   HB2    .   25881   2    
     193   .   1   1   24   24   PRO   HB3    H   1    2.112     0.006   .   1   .   .   .   A   21   PRO   HB3    .   25881   2    
     194   .   1   1   24   24   PRO   HG2    H   1    2.236     0.003   .   1   .   .   .   A   21   PRO   HG2    .   25881   2    
     195   .   1   1   24   24   PRO   HG3    H   1    2.153     0.004   .   1   .   .   .   A   21   PRO   HG3    .   25881   2    
     196   .   1   1   24   24   PRO   HD2    H   1    4.359     0.002   .   1   .   .   .   A   21   PRO   HD2    .   25881   2    
     197   .   1   1   24   24   PRO   HD3    H   1    4.52      0.004   .   1   .   .   .   A   21   PRO   HD3    .   25881   2    
     198   .   1   1   24   24   PRO   CA     C   13   64.563    0.045   .   1   .   .   .   A   21   PRO   CA     .   25881   2    
     199   .   1   1   24   24   PRO   CB     C   13   32.463    0.026   .   1   .   .   .   A   21   PRO   CB     .   25881   2    
     200   .   1   1   24   24   PRO   CG     C   13   27.247    0.020   .   1   .   .   .   A   21   PRO   CG     .   25881   2    
     201   .   1   1   24   24   PRO   CD     C   13   51.902    0.038   .   1   .   .   .   A   21   PRO   CD     .   25881   2    
     202   .   1   1   25   25   LYS   H      H   1    8.675     0.001   .   1   .   .   .   A   22   LYS   H      .   25881   2    
     203   .   1   1   25   25   LYS   HA     H   1    4.352     0.005   .   1   .   .   .   A   22   LYS   HA     .   25881   2    
     204   .   1   1   25   25   LYS   HB2    H   1    1.401     0.001   .   2   .   .   .   A   22   LYS   HB2    .   25881   2    
     205   .   1   1   25   25   LYS   HB3    H   1    1.401     0.001   .   2   .   .   .   A   22   LYS   HB3    .   25881   2    
     206   .   1   1   25   25   LYS   HG2    H   1    1.217     0.011   .   1   .   .   .   A   22   LYS   HG2    .   25881   2    
     207   .   1   1   25   25   LYS   HG3    H   1    1.107     0.003   .   1   .   .   .   A   22   LYS   HG3    .   25881   2    
     208   .   1   1   25   25   LYS   HD2    H   1    1.387     0.004   .   2   .   .   .   A   22   LYS   HD2    .   25881   2    
     209   .   1   1   25   25   LYS   HD3    H   1    1.387     0.004   .   2   .   .   .   A   22   LYS   HD3    .   25881   2    
     210   .   1   1   25   25   LYS   CA     C   13   57.773    0.040   .   1   .   .   .   A   22   LYS   CA     .   25881   2    
     211   .   1   1   25   25   LYS   CB     C   13   33.292    0.000   .   1   .   .   .   A   22   LYS   CB     .   25881   2    
     212   .   1   1   25   25   LYS   CG     C   13   24.944    0.070   .   1   .   .   .   A   22   LYS   CG     .   25881   2    
     213   .   1   1   25   25   LYS   CD     C   13   28.501    0.042   .   1   .   .   .   A   22   LYS   CD     .   25881   2    
     214   .   1   1   25   25   LYS   N      N   15   120.173   0.006   .   1   .   .   .   A   22   LYS   N      .   25881   2    
     215   .   1   1   26   26   CYS   H      H   1    8.022     0.003   .   1   .   .   .   A   23   CYS   H      .   25881   2    
     216   .   1   1   26   26   CYS   HA     H   1    5.135     0.001   .   1   .   .   .   A   23   CYS   HA     .   25881   2    
     217   .   1   1   26   26   CYS   HB2    H   1    3.505     0.003   .   1   .   .   .   A   23   CYS   HB2    .   25881   2    
     218   .   1   1   26   26   CYS   HB3    H   1    2.814     0.003   .   1   .   .   .   A   23   CYS   HB3    .   25881   2    
     219   .   1   1   26   26   CYS   CA     C   13   58.343    0.008   .   1   .   .   .   A   23   CYS   CA     .   25881   2    
     220   .   1   1   26   26   CYS   CB     C   13   32.61     0.012   .   1   .   .   .   A   23   CYS   CB     .   25881   2    
     221   .   1   1   26   26   CYS   N      N   15   115.641   0.037   .   1   .   .   .   A   23   CYS   N      .   25881   2    
     222   .   1   1   27   27   GLY   H      H   1    8.109     0.001   .   1   .   .   .   A   24   GLY   H      .   25881   2    
     223   .   1   1   27   27   GLY   HA2    H   1    4.3       0.002   .   1   .   .   .   A   24   GLY   HA2    .   25881   2    
     224   .   1   1   27   27   GLY   HA3    H   1    3.854     0.002   .   1   .   .   .   A   24   GLY   HA3    .   25881   2    
     225   .   1   1   27   27   GLY   CA     C   13   46.331    0.000   .   1   .   .   .   A   24   GLY   CA     .   25881   2    
     226   .   1   1   27   27   GLY   N      N   15   112.972   0.006   .   1   .   .   .   A   24   GLY   N      .   25881   2    
     227   .   1   1   28   28   VAL   H      H   1    8.445     0.002   .   1   .   .   .   A   25   VAL   H      .   25881   2    
     228   .   1   1   28   28   VAL   HA     H   1    4.139     0.002   .   1   .   .   .   A   25   VAL   HA     .   25881   2    
     229   .   1   1   28   28   VAL   HB     H   1    2.351     0.001   .   1   .   .   .   A   25   VAL   HB     .   25881   2    
     230   .   1   1   28   28   VAL   HG11   H   1    0.618     0.001   .   1   .   .   .   A   25   VAL   HG11   .   25881   2    
     231   .   1   1   28   28   VAL   HG12   H   1    0.618     0.001   .   1   .   .   .   A   25   VAL   HG12   .   25881   2    
     232   .   1   1   28   28   VAL   HG13   H   1    0.618     0.001   .   1   .   .   .   A   25   VAL   HG13   .   25881   2    
     233   .   1   1   28   28   VAL   HG21   H   1    1.197     0.002   .   1   .   .   .   A   25   VAL   HG21   .   25881   2    
     234   .   1   1   28   28   VAL   HG22   H   1    1.197     0.002   .   1   .   .   .   A   25   VAL   HG22   .   25881   2    
     235   .   1   1   28   28   VAL   HG23   H   1    1.197     0.002   .   1   .   .   .   A   25   VAL   HG23   .   25881   2    
     236   .   1   1   28   28   VAL   CA     C   13   63.247    0.045   .   1   .   .   .   A   25   VAL   CA     .   25881   2    
     237   .   1   1   28   28   VAL   CB     C   13   32.154    0.025   .   1   .   .   .   A   25   VAL   CB     .   25881   2    
     238   .   1   1   28   28   VAL   CG1    C   13   21.087    0.012   .   1   .   .   .   A   25   VAL   CG1    .   25881   2    
     239   .   1   1   28   28   VAL   CG2    C   13   22.865    0.011   .   1   .   .   .   A   25   VAL   CG2    .   25881   2    
     240   .   1   1   28   28   VAL   N      N   15   123.826   0.007   .   1   .   .   .   A   25   VAL   N      .   25881   2    
     241   .   1   1   29   29   ARG   H      H   1    8.456     0.002   .   1   .   .   .   A   26   ARG   H      .   25881   2    
     242   .   1   1   29   29   ARG   HA     H   1    5.399     0.002   .   1   .   .   .   A   26   ARG   HA     .   25881   2    
     243   .   1   1   29   29   ARG   HB2    H   1    1.904     0.001   .   1   .   .   .   A   26   ARG   HB2    .   25881   2    
     244   .   1   1   29   29   ARG   HB3    H   1    1.738     0.000   .   1   .   .   .   A   26   ARG   HB3    .   25881   2    
     245   .   1   1   29   29   ARG   HG2    H   1    1.732     0.002   .   1   .   .   .   A   26   ARG   HG2    .   25881   2    
     246   .   1   1   29   29   ARG   HG3    H   1    1.618     0.006   .   1   .   .   .   A   26   ARG   HG3    .   25881   2    
     247   .   1   1   29   29   ARG   HD2    H   1    3.204     0.005   .   1   .   .   .   A   26   ARG   HD2    .   25881   2    
     248   .   1   1   29   29   ARG   HD3    H   1    3.082     0.003   .   1   .   .   .   A   26   ARG   HD3    .   25881   2    
     249   .   1   1   29   29   ARG   CA     C   13   53.748    0.018   .   1   .   .   .   A   26   ARG   CA     .   25881   2    
     250   .   1   1   29   29   ARG   CB     C   13   29.648    0.006   .   1   .   .   .   A   26   ARG   CB     .   25881   2    
     251   .   1   1   29   29   ARG   CG     C   13   27.664    0.042   .   1   .   .   .   A   26   ARG   CG     .   25881   2    
     252   .   1   1   29   29   ARG   CD     C   13   42.187    0.032   .   1   .   .   .   A   26   ARG   CD     .   25881   2    
     253   .   1   1   29   29   ARG   N      N   15   125.648   0.010   .   1   .   .   .   A   26   ARG   N      .   25881   2    
     254   .   1   1   30   30   TYR   H      H   1    8.777     0.002   .   1   .   .   .   A   27   TYR   H      .   25881   2    
     255   .   1   1   30   30   TYR   HA     H   1    6.825     0.002   .   1   .   .   .   A   27   TYR   HA     .   25881   2    
     256   .   1   1   30   30   TYR   HB2    H   1    2.865     0.004   .   1   .   .   .   A   27   TYR   HB2    .   25881   2    
     257   .   1   1   30   30   TYR   HB3    H   1    2.738     0.002   .   1   .   .   .   A   27   TYR   HB3    .   25881   2    
     258   .   1   1   30   30   TYR   HD1    H   1    7.099     0.002   .   3   .   .   .   A   27   TYR   HD1    .   25881   2    
     259   .   1   1   30   30   TYR   HE1    H   1    6.177     0.005   .   3   .   .   .   A   27   TYR   HE1    .   25881   2    
     260   .   1   1   30   30   TYR   CA     C   13   55.63     0.003   .   1   .   .   .   A   27   TYR   CA     .   25881   2    
     261   .   1   1   30   30   TYR   CB     C   13   42.038    0.030   .   1   .   .   .   A   27   TYR   CB     .   25881   2    
     262   .   1   1   30   30   TYR   CD1    C   13   133.997   0.000   .   1   .   .   .   A   27   TYR   CD1    .   25881   2    
     263   .   1   1   30   30   TYR   CE1    C   13   118.415   0.000   .   1   .   .   .   A   27   TYR   CE1    .   25881   2    
     264   .   1   1   30   30   TYR   N      N   15   117.861   0.011   .   1   .   .   .   A   27   TYR   N      .   25881   2    
     265   .   1   1   31   31   CYS   H      H   1    8.98      0.003   .   1   .   .   .   A   28   CYS   H      .   25881   2    
     266   .   1   1   31   31   CYS   HA     H   1    5.016     0.001   .   1   .   .   .   A   28   CYS   HA     .   25881   2    
     267   .   1   1   31   31   CYS   HB2    H   1    3.25      0.002   .   1   .   .   .   A   28   CYS   HB2    .   25881   2    
     268   .   1   1   31   31   CYS   HB3    H   1    2.723     0.004   .   1   .   .   .   A   28   CYS   HB3    .   25881   2    
     269   .   1   1   31   31   CYS   CA     C   13   58.854    0.017   .   1   .   .   .   A   28   CYS   CA     .   25881   2    
     270   .   1   1   31   31   CYS   CB     C   13   34.903    0.000   .   1   .   .   .   A   28   CYS   CB     .   25881   2    
     271   .   1   1   31   31   CYS   N      N   15   118.826   0.004   .   1   .   .   .   A   28   CYS   N      .   25881   2    
     272   .   1   1   32   32   SER   H      H   1    7.553     0.000   .   1   .   .   .   A   29   SER   H      .   25881   2    
     273   .   1   1   32   32   SER   HA     H   1    5.028     0.004   .   1   .   .   .   A   29   SER   HA     .   25881   2    
     274   .   1   1   32   32   SER   HB2    H   1    4.404     0.003   .   1   .   .   .   A   29   SER   HB2    .   25881   2    
     275   .   1   1   32   32   SER   HB3    H   1    4.244     0.003   .   1   .   .   .   A   29   SER   HB3    .   25881   2    
     276   .   1   1   32   32   SER   CA     C   13   57.442    0.018   .   1   .   .   .   A   29   SER   CA     .   25881   2    
     277   .   1   1   32   32   SER   CB     C   13   65.234    0.056   .   1   .   .   .   A   29   SER   CB     .   25881   2    
     278   .   1   1   32   32   SER   N      N   15   114.256   0.008   .   1   .   .   .   A   29   SER   N      .   25881   2    
     279   .   1   1   33   33   LEU   HA     H   1    4.189     0.007   .   1   .   .   .   A   30   LEU   HA     .   25881   2    
     280   .   1   1   33   33   LEU   HB2    H   1    1.755     0.007   .   1   .   .   .   A   30   LEU   HB2    .   25881   2    
     281   .   1   1   33   33   LEU   HB3    H   1    1.665     0.005   .   1   .   .   .   A   30   LEU   HB3    .   25881   2    
     282   .   1   1   33   33   LEU   HG     H   1    1.695     0.010   .   1   .   .   .   A   30   LEU   HG     .   25881   2    
     283   .   1   1   33   33   LEU   HD11   H   1    0.93      0.007   .   1   .   .   .   A   30   LEU   HD11   .   25881   2    
     284   .   1   1   33   33   LEU   HD12   H   1    0.93      0.007   .   1   .   .   .   A   30   LEU   HD12   .   25881   2    
     285   .   1   1   33   33   LEU   HD13   H   1    0.93      0.007   .   1   .   .   .   A   30   LEU   HD13   .   25881   2    
     286   .   1   1   33   33   LEU   HD21   H   1    0.83      0.006   .   1   .   .   .   A   30   LEU   HD21   .   25881   2    
     287   .   1   1   33   33   LEU   HD22   H   1    0.83      0.006   .   1   .   .   .   A   30   LEU   HD22   .   25881   2    
     288   .   1   1   33   33   LEU   HD23   H   1    0.83      0.006   .   1   .   .   .   A   30   LEU   HD23   .   25881   2    
     289   .   1   1   33   33   LEU   CA     C   13   57.598    0.020   .   1   .   .   .   A   30   LEU   CA     .   25881   2    
     290   .   1   1   33   33   LEU   CB     C   13   41.382    0.027   .   1   .   .   .   A   30   LEU   CB     .   25881   2    
     291   .   1   1   33   33   LEU   CG     C   13   27.183    0.000   .   1   .   .   .   A   30   LEU   CG     .   25881   2    
     292   .   1   1   33   33   LEU   CD1    C   13   24.228    0.031   .   1   .   .   .   A   30   LEU   CD1    .   25881   2    
     293   .   1   1   33   33   LEU   CD2    C   13   24.035    0.039   .   1   .   .   .   A   30   LEU   CD2    .   25881   2    
     294   .   1   1   34   34   LYS   H      H   1    8.073     0.001   .   1   .   .   .   A   31   LYS   H      .   25881   2    
     295   .   1   1   34   34   LYS   HA     H   1    3.948     0.004   .   1   .   .   .   A   31   LYS   HA     .   25881   2    
     296   .   1   1   34   34   LYS   HB2    H   1    1.911     0.011   .   2   .   .   .   A   31   LYS   HB2    .   25881   2    
     297   .   1   1   34   34   LYS   HB3    H   1    1.911     0.011   .   2   .   .   .   A   31   LYS   HB3    .   25881   2    
     298   .   1   1   34   34   LYS   HG2    H   1    1.514     0.007   .   1   .   .   .   A   31   LYS   HG2    .   25881   2    
     299   .   1   1   34   34   LYS   HG3    H   1    1.423     0.009   .   1   .   .   .   A   31   LYS   HG3    .   25881   2    
     300   .   1   1   34   34   LYS   HD2    H   1    1.709     0.000   .   2   .   .   .   A   31   LYS   HD2    .   25881   2    
     301   .   1   1   34   34   LYS   HD3    H   1    1.709     0.000   .   2   .   .   .   A   31   LYS   HD3    .   25881   2    
     302   .   1   1   34   34   LYS   HE2    H   1    3.036     0.002   .   2   .   .   .   A   31   LYS   HE2    .   25881   2    
     303   .   1   1   34   34   LYS   HE3    H   1    3.036     0.002   .   2   .   .   .   A   31   LYS   HE3    .   25881   2    
     304   .   1   1   34   34   LYS   CA     C   13   59.967    0.004   .   1   .   .   .   A   31   LYS   CA     .   25881   2    
     305   .   1   1   34   34   LYS   CB     C   13   32.042    0.020   .   1   .   .   .   A   31   LYS   CB     .   25881   2    
     306   .   1   1   34   34   LYS   CG     C   13   24.641    0.045   .   1   .   .   .   A   31   LYS   CG     .   25881   2    
     307   .   1   1   34   34   LYS   CE     C   13   42.416    0.000   .   1   .   .   .   A   31   LYS   CE     .   25881   2    
     308   .   1   1   34   34   LYS   N      N   15   118.571   0.001   .   1   .   .   .   A   31   LYS   N      .   25881   2    
     309   .   1   1   35   35   CYS   H      H   1    7.521     0.004   .   1   .   .   .   A   32   CYS   H      .   25881   2    
     310   .   1   1   35   35   CYS   HA     H   1    4.151     0.001   .   1   .   .   .   A   32   CYS   HA     .   25881   2    
     311   .   1   1   35   35   CYS   HB2    H   1    3.061     0.004   .   1   .   .   .   A   32   CYS   HB2    .   25881   2    
     312   .   1   1   35   35   CYS   HB3    H   1    2.865     0.005   .   1   .   .   .   A   32   CYS   HB3    .   25881   2    
     313   .   1   1   35   35   CYS   CA     C   13   65.71     0.014   .   1   .   .   .   A   32   CYS   CA     .   25881   2    
     314   .   1   1   35   35   CYS   CB     C   13   29.862    0.038   .   1   .   .   .   A   32   CYS   CB     .   25881   2    
     315   .   1   1   35   35   CYS   N      N   15   118.879   0.003   .   1   .   .   .   A   32   CYS   N      .   25881   2    
     316   .   1   1   36   36   TYR   H      H   1    8.033     0.001   .   1   .   .   .   A   33   TYR   H      .   25881   2    
     317   .   1   1   36   36   TYR   HA     H   1    3.278     0.003   .   1   .   .   .   A   33   TYR   HA     .   25881   2    
     318   .   1   1   36   36   TYR   HB2    H   1    2.971     0.003   .   1   .   .   .   A   33   TYR   HB2    .   25881   2    
     319   .   1   1   36   36   TYR   HB3    H   1    2.561     0.001   .   1   .   .   .   A   33   TYR   HB3    .   25881   2    
     320   .   1   1   36   36   TYR   HD1    H   1    6.176     0.003   .   3   .   .   .   A   33   TYR   HD1    .   25881   2    
     321   .   1   1   36   36   TYR   HE1    H   1    6.932     0.006   .   3   .   .   .   A   33   TYR   HE1    .   25881   2    
     322   .   1   1   36   36   TYR   CA     C   13   61.297    0.004   .   1   .   .   .   A   33   TYR   CA     .   25881   2    
     323   .   1   1   36   36   TYR   CB     C   13   39.012    0.023   .   1   .   .   .   A   33   TYR   CB     .   25881   2    
     324   .   1   1   36   36   TYR   CD1    C   13   132.928   0.000   .   1   .   .   .   A   33   TYR   CD1    .   25881   2    
     325   .   1   1   36   36   TYR   CE1    C   13   118.536   0.000   .   1   .   .   .   A   33   TYR   CE1    .   25881   2    
     326   .   1   1   36   36   TYR   N      N   15   118.172   0.011   .   1   .   .   .   A   33   TYR   N      .   25881   2    
     327   .   1   1   37   37   LYS   H      H   1    8.047     0.003   .   1   .   .   .   A   34   LYS   H      .   25881   2    
     328   .   1   1   37   37   LYS   HA     H   1    4.091     0.002   .   1   .   .   .   A   34   LYS   HA     .   25881   2    
     329   .   1   1   37   37   LYS   HB2    H   1    2.119     0.005   .   1   .   .   .   A   34   LYS   HB2    .   25881   2    
     330   .   1   1   37   37   LYS   HB3    H   1    1.809     0.005   .   1   .   .   .   A   34   LYS   HB3    .   25881   2    
     331   .   1   1   37   37   LYS   HG2    H   1    1.724     0.005   .   1   .   .   .   A   34   LYS   HG2    .   25881   2    
     332   .   1   1   37   37   LYS   HG3    H   1    1.542     0.003   .   1   .   .   .   A   34   LYS   HG3    .   25881   2    
     333   .   1   1   37   37   LYS   HD2    H   1    1.721     0.000   .   2   .   .   .   A   34   LYS   HD2    .   25881   2    
     334   .   1   1   37   37   LYS   HD3    H   1    1.721     0.000   .   2   .   .   .   A   34   LYS   HD3    .   25881   2    
     335   .   1   1   37   37   LYS   CA     C   13   56.06     0.009   .   1   .   .   .   A   34   LYS   CA     .   25881   2    
     336   .   1   1   37   37   LYS   CB     C   13   32.264    0.085   .   1   .   .   .   A   34   LYS   CB     .   25881   2    
     337   .   1   1   37   37   LYS   CG     C   13   25.633    0.025   .   1   .   .   .   A   34   LYS   CG     .   25881   2    
     338   .   1   1   37   37   LYS   CD     C   13   29.276    0.000   .   1   .   .   .   A   34   LYS   CD     .   25881   2    
     339   .   1   1   37   37   LYS   N      N   15   114.685   0.006   .   1   .   .   .   A   34   LYS   N      .   25881   2    
     340   .   1   1   38   38   ASP   H      H   1    7.253     0.001   .   1   .   .   .   A   35   ASP   H      .   25881   2    
     341   .   1   1   38   38   ASP   HA     H   1    4.455     0.002   .   1   .   .   .   A   35   ASP   HA     .   25881   2    
     342   .   1   1   38   38   ASP   HB2    H   1    3.093     0.003   .   1   .   .   .   A   35   ASP   HB2    .   25881   2    
     343   .   1   1   38   38   ASP   HB3    H   1    2.669     0.003   .   1   .   .   .   A   35   ASP   HB3    .   25881   2    
     344   .   1   1   38   38   ASP   CA     C   13   54.627    0.014   .   1   .   .   .   A   35   ASP   CA     .   25881   2    
     345   .   1   1   38   38   ASP   CB     C   13   40.643    0.020   .   1   .   .   .   A   35   ASP   CB     .   25881   2    
     346   .   1   1   38   38   ASP   N      N   15   121.317   0.004   .   1   .   .   .   A   35   ASP   N      .   25881   2    
     347   .   1   1   39   39   ALA   H      H   1    8.127     0.002   .   1   .   .   .   A   36   ALA   H      .   25881   2    
     348   .   1   1   39   39   ALA   HA     H   1    4.05      0.001   .   1   .   .   .   A   36   ALA   HA     .   25881   2    
     349   .   1   1   39   39   ALA   HB1    H   1    1.395     0.001   .   1   .   .   .   A   36   ALA   HB1    .   25881   2    
     350   .   1   1   39   39   ALA   HB2    H   1    1.395     0.001   .   1   .   .   .   A   36   ALA   HB2    .   25881   2    
     351   .   1   1   39   39   ALA   HB3    H   1    1.395     0.001   .   1   .   .   .   A   36   ALA   HB3    .   25881   2    
     352   .   1   1   39   39   ALA   CA     C   13   53.62     0.019   .   1   .   .   .   A   36   ALA   CA     .   25881   2    
     353   .   1   1   39   39   ALA   CB     C   13   18.908    0.022   .   1   .   .   .   A   36   ALA   CB     .   25881   2    
     354   .   1   1   39   39   ALA   N      N   15   130.374   0.024   .   1   .   .   .   A   36   ALA   N      .   25881   2    
     355   .   1   1   40   40   ALA   H      H   1    7.972     0.001   .   1   .   .   .   A   37   ALA   H      .   25881   2    
     356   .   1   1   40   40   ALA   HA     H   1    4.249     0.001   .   1   .   .   .   A   37   ALA   HA     .   25881   2    
     357   .   1   1   40   40   ALA   HB1    H   1    1.435     0.001   .   1   .   .   .   A   37   ALA   HB1    .   25881   2    
     358   .   1   1   40   40   ALA   HB2    H   1    1.435     0.001   .   1   .   .   .   A   37   ALA   HB2    .   25881   2    
     359   .   1   1   40   40   ALA   HB3    H   1    1.435     0.001   .   1   .   .   .   A   37   ALA   HB3    .   25881   2    
     360   .   1   1   40   40   ALA   CA     C   13   53.327    0.023   .   1   .   .   .   A   37   ALA   CA     .   25881   2    
     361   .   1   1   40   40   ALA   CB     C   13   19.336    0.008   .   1   .   .   .   A   37   ALA   CB     .   25881   2    
     362   .   1   1   40   40   ALA   N      N   15   117.342   0.002   .   1   .   .   .   A   37   ALA   N      .   25881   2    
     363   .   1   1   41   41   LYS   H      H   1    7.459     0.002   .   1   .   .   .   A   38   LYS   H      .   25881   2    
     364   .   1   1   41   41   LYS   HA     H   1    4.455     0.003   .   1   .   .   .   A   38   LYS   HA     .   25881   2    
     365   .   1   1   41   41   LYS   HB2    H   1    1.963     0.005   .   1   .   .   .   A   38   LYS   HB2    .   25881   2    
     366   .   1   1   41   41   LYS   HB3    H   1    1.467     0.002   .   1   .   .   .   A   38   LYS   HB3    .   25881   2    
     367   .   1   1   41   41   LYS   HG2    H   1    1.436     0.007   .   1   .   .   .   A   38   LYS   HG2    .   25881   2    
     368   .   1   1   41   41   LYS   HG3    H   1    1.329     0.004   .   1   .   .   .   A   38   LYS   HG3    .   25881   2    
     369   .   1   1   41   41   LYS   HD2    H   1    1.724     0.000   .   1   .   .   .   A   38   LYS   HD2    .   25881   2    
     370   .   1   1   41   41   LYS   HD3    H   1    1.645     0.000   .   1   .   .   .   A   38   LYS   HD3    .   25881   2    
     371   .   1   1   41   41   LYS   CA     C   13   56.371    0.012   .   1   .   .   .   A   38   LYS   CA     .   25881   2    
     372   .   1   1   41   41   LYS   CB     C   13   36.257    0.018   .   1   .   .   .   A   38   LYS   CB     .   25881   2    
     373   .   1   1   41   41   LYS   CG     C   13   25.599    0.042   .   1   .   .   .   A   38   LYS   CG     .   25881   2    
     374   .   1   1   41   41   LYS   CD     C   13   29.27     0.006   .   1   .   .   .   A   38   LYS   CD     .   25881   2    
     375   .   1   1   41   41   LYS   N      N   15   114.215   0.007   .   1   .   .   .   A   38   LYS   N      .   25881   2    
     376   .   1   1   42   42   HIS   H      H   1    8.496     0.002   .   1   .   .   .   A   39   HIS   H      .   25881   2    
     377   .   1   1   42   42   HIS   HA     H   1    4.905     0.003   .   1   .   .   .   A   39   HIS   HA     .   25881   2    
     378   .   1   1   42   42   HIS   HB2    H   1    3.151     0.003   .   1   .   .   .   A   39   HIS   HB2    .   25881   2    
     379   .   1   1   42   42   HIS   HB3    H   1    2.504     0.004   .   1   .   .   .   A   39   HIS   HB3    .   25881   2    
     380   .   1   1   42   42   HIS   HD2    H   1    6.727     0.001   .   1   .   .   .   A   39   HIS   HD2    .   25881   2    
     381   .   1   1   42   42   HIS   HE1    H   1    7.267     0.001   .   1   .   .   .   A   39   HIS   HE1    .   25881   2    
     382   .   1   1   42   42   HIS   CA     C   13   52.909    0.029   .   1   .   .   .   A   39   HIS   CA     .   25881   2    
     383   .   1   1   42   42   HIS   CB     C   13   27.827    0.030   .   1   .   .   .   A   39   HIS   CB     .   25881   2    
     384   .   1   1   42   42   HIS   CD2    C   13   124.262   0.000   .   1   .   .   .   A   39   HIS   CD2    .   25881   2    
     385   .   1   1   42   42   HIS   CE1    C   13   138.174   0.000   .   1   .   .   .   A   39   HIS   CE1    .   25881   2    
     386   .   1   1   42   42   HIS   N      N   15   122.071   0.013   .   1   .   .   .   A   39   HIS   N      .   25881   2    
     387   .   1   1   42   42   HIS   ND1    N   15   171.518   0.038   .   1   .   .   .   A   39   HIS   ND1    .   25881   2    
     388   .   1   1   42   42   HIS   NE2    N   15   215.996   0.011   .   1   .   .   .   A   39   HIS   NE2    .   25881   2    
     389   .   1   1   43   43   VAL   H      H   1    7.86      0.003   .   1   .   .   .   A   40   VAL   H      .   25881   2    
     390   .   1   1   43   43   VAL   HA     H   1    3.906     0.003   .   1   .   .   .   A   40   VAL   HA     .   25881   2    
     391   .   1   1   43   43   VAL   HB     H   1    1.863     0.002   .   1   .   .   .   A   40   VAL   HB     .   25881   2    
     392   .   1   1   43   43   VAL   HG11   H   1    0.779     0.008   .   1   .   .   .   A   40   VAL   HG11   .   25881   2    
     393   .   1   1   43   43   VAL   HG12   H   1    0.779     0.008   .   1   .   .   .   A   40   VAL   HG12   .   25881   2    
     394   .   1   1   43   43   VAL   HG13   H   1    0.779     0.008   .   1   .   .   .   A   40   VAL   HG13   .   25881   2    
     395   .   1   1   43   43   VAL   HG21   H   1    0.739     0.002   .   1   .   .   .   A   40   VAL   HG21   .   25881   2    
     396   .   1   1   43   43   VAL   HG22   H   1    0.739     0.002   .   1   .   .   .   A   40   VAL   HG22   .   25881   2    
     397   .   1   1   43   43   VAL   HG23   H   1    0.739     0.002   .   1   .   .   .   A   40   VAL   HG23   .   25881   2    
     398   .   1   1   43   43   VAL   CA     C   13   61.295    0.010   .   1   .   .   .   A   40   VAL   CA     .   25881   2    
     399   .   1   1   43   43   VAL   CB     C   13   34.259    0.025   .   1   .   .   .   A   40   VAL   CB     .   25881   2    
     400   .   1   1   43   43   VAL   CG1    C   13   21.137    0.027   .   1   .   .   .   A   40   VAL   CG1    .   25881   2    
     401   .   1   1   43   43   VAL   CG2    C   13   20.663    0.017   .   1   .   .   .   A   40   VAL   CG2    .   25881   2    
     402   .   1   1   43   43   VAL   N      N   15   123.322   0.012   .   1   .   .   .   A   40   VAL   N      .   25881   2    
     403   .   1   1   44   44   HIS   HA     H   1    5.017     0.004   .   1   .   .   .   A   41   HIS   HA     .   25881   2    
     404   .   1   1   44   44   HIS   HB2    H   1    3.047     0.006   .   1   .   .   .   A   41   HIS   HB2    .   25881   2    
     405   .   1   1   44   44   HIS   HB3    H   1    2.896     0.002   .   1   .   .   .   A   41   HIS   HB3    .   25881   2    
     406   .   1   1   44   44   HIS   HD2    H   1    6.768     0.001   .   1   .   .   .   A   41   HIS   HD2    .   25881   2    
     407   .   1   1   44   44   HIS   HE1    H   1    7.52      0.000   .   1   .   .   .   A   41   HIS   HE1    .   25881   2    
     408   .   1   1   44   44   HIS   CA     C   13   53.165    0.043   .   1   .   .   .   A   41   HIS   CA     .   25881   2    
     409   .   1   1   44   44   HIS   CB     C   13   30.178    0.045   .   1   .   .   .   A   41   HIS   CB     .   25881   2    
     410   .   1   1   44   44   HIS   CD2    C   13   125.045   0.000   .   1   .   .   .   A   41   HIS   CD2    .   25881   2    
     411   .   1   1   44   44   HIS   CE1    C   13   138.637   0.000   .   1   .   .   .   A   41   HIS   CE1    .   25881   2    
     412   .   1   1   44   44   HIS   ND1    N   15   173.229   0.018   .   1   .   .   .   A   41   HIS   ND1    .   25881   2    
     413   .   1   1   44   44   HIS   NE2    N   15   212.139   0.050   .   1   .   .   .   A   41   HIS   NE2    .   25881   2    
     414   .   1   1   46   46   GLU   H      H   1    8.635     0.000   .   1   .   .   .   A   43   GLU   H      .   25881   2    
     415   .   1   1   46   46   GLU   HA     H   1    4.291     0.004   .   1   .   .   .   A   43   GLU   HA     .   25881   2    
     416   .   1   1   46   46   GLU   HB2    H   1    2.078     0.000   .   1   .   .   .   A   43   GLU   HB2    .   25881   2    
     417   .   1   1   46   46   GLU   HB3    H   1    1.946     0.003   .   1   .   .   .   A   43   GLU   HB3    .   25881   2    
     418   .   1   1   46   46   GLU   HG2    H   1    2.276     0.002   .   2   .   .   .   A   43   GLU   HG2    .   25881   2    
     419   .   1   1   46   46   GLU   HG3    H   1    2.276     0.002   .   2   .   .   .   A   43   GLU   HG3    .   25881   2    
     420   .   1   1   46   46   GLU   CA     C   13   57.086    0.070   .   1   .   .   .   A   43   GLU   CA     .   25881   2    
     421   .   1   1   46   46   GLU   CB     C   13   30.165    0.002   .   1   .   .   .   A   43   GLU   CB     .   25881   2    
     422   .   1   1   46   46   GLU   CG     C   13   36.327    0.015   .   1   .   .   .   A   43   GLU   CG     .   25881   2    
     423   .   1   1   46   46   GLU   N      N   15   122.521   0.000   .   1   .   .   .   A   43   GLU   N      .   25881   2    
     424   .   1   1   47   47   SER   H      H   1    8.17      0.000   .   1   .   .   .   A   44   SER   H      .   25881   2    
     425   .   1   1   47   47   SER   HA     H   1    4.434     0.002   .   1   .   .   .   A   44   SER   HA     .   25881   2    
     426   .   1   1   47   47   SER   CA     C   13   58.392    0.014   .   1   .   .   .   A   44   SER   CA     .   25881   2    
     427   .   1   1   47   47   SER   N      N   15   115.264   0.000   .   1   .   .   .   A   44   SER   N      .   25881   2    
     428   .   1   1   48   48   GLU   H      H   1    8.291     0.002   .   1   .   .   .   A   45   GLU   H      .   25881   2    
     429   .   1   1   48   48   GLU   HA     H   1    4.323     0.000   .   1   .   .   .   A   45   GLU   HA     .   25881   2    
     430   .   1   1   48   48   GLU   HB2    H   1    2.06      0.000   .   1   .   .   .   A   45   GLU   HB2    .   25881   2    
     431   .   1   1   48   48   GLU   HB3    H   1    1.931     0.000   .   1   .   .   .   A   45   GLU   HB3    .   25881   2    
     432   .   1   1   48   48   GLU   HG2    H   1    2.253     0.001   .   2   .   .   .   A   45   GLU   HG2    .   25881   2    
     433   .   1   1   48   48   GLU   HG3    H   1    2.253     0.001   .   2   .   .   .   A   45   GLU   HG3    .   25881   2    
     434   .   1   1   48   48   GLU   CA     C   13   56.612    0.018   .   1   .   .   .   A   45   GLU   CA     .   25881   2    
     435   .   1   1   48   48   GLU   CB     C   13   30.346    0.000   .   1   .   .   .   A   45   GLU   CB     .   25881   2    
     436   .   1   1   48   48   GLU   CG     C   13   36.384    0.000   .   1   .   .   .   A   45   GLU   CG     .   25881   2    
     437   .   1   1   48   48   GLU   N      N   15   122.887   0.023   .   1   .   .   .   A   45   GLU   N      .   25881   2    
     438   .   1   1   49   49   GLN   H      H   1    7.797     0.000   .   1   .   .   .   A   46   GLN   H      .   25881   2    
     439   .   1   1   49   49   GLN   HE21   H   1    7.422     0.002   .   1   .   .   .   A   46   GLN   HE21   .   25881   2    
     440   .   1   1   49   49   GLN   HE22   H   1    6.738     0.000   .   1   .   .   .   A   46   GLN   HE22   .   25881   2    
     441   .   1   1   49   49   GLN   N      N   15   125.208   0.000   .   1   .   .   .   A   46   GLN   N      .   25881   2    
     442   .   1   1   49   49   GLN   NE2    N   15   111.966   0.011   .   1   .   .   .   A   46   GLN   NE2    .   25881   2    

   stop_

save_