###################################
     #  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_shift_set_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 shift_set_1
   _Assigned_chem_shift_list.Entry_ID                     4990
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $Ex-cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err            .
   _Assigned_chem_shift_list.Chem_shift_13C_err           .
   _Assigned_chem_shift_list.Chem_shift_15N_err           .
   _Assigned_chem_shift_list.Chem_shift_31P_err           .
   _Assigned_chem_shift_list.Chem_shift_2H_err            .
   _Assigned_chem_shift_list.Chem_shift_19F_err           .
   _Assigned_chem_shift_list.Error_derivation_method      .
   _Assigned_chem_shift_list.Details                      .
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

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

     1   DQF-COSY   1   $sample_1   .   4990   1    
     2   NOESY      1   $sample_1   .   4990   1    
     3   TOCSY      1   $sample_1   .   4990   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.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

     1     .   1   1   3    3    GLY   H      H   1   8.42   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     2     .   1   1   3    3    GLY   HA2    H   1   3.84   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     3     .   1   1   3    3    GLY   HA3    H   1   3.84   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     4     .   1   1   4    4    HIS   H      H   1   8.25   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     5     .   1   1   4    4    HIS   HA     H   1   4.46   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     6     .   1   1   4    4    HIS   HB2    H   1   2.86   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     7     .   1   1   4    4    HIS   HB3    H   1   2.86   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     8     .   1   1   4    4    HIS   HD2    H   1   7.35   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     9     .   1   1   4    4    HIS   HE1    H   1   8.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     10    .   1   1   5    5    PHE   H      H   1   8.40   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     11    .   1   1   5    5    PHE   HA     H   1   5.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     12    .   1   1   5    5    PHE   HB2    H   1   2.85   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     13    .   1   1   5    5    PHE   HB3    H   1   3.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     14    .   1   1   5    5    PHE   HD1    H   1   7.03   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     15    .   1   1   5    5    PHE   HD2    H   1   7.03   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     16    .   1   1   5    5    PHE   HE1    H   1   7.16   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     17    .   1   1   5    5    PHE   HE2    H   1   7.16   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     18    .   1   1   6    6    SER   H      H   1   9.24   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     19    .   1   1   6    6    SER   HA     H   1   4.83   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     20    .   1   1   6    6    SER   HB2    H   1   3.76   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     21    .   1   1   6    6    SER   HB3    H   1   4.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     22    .   1   1   7    7    ARG   H      H   1   8.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     23    .   1   1   7    7    ARG   HA     H   1   4.34   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     24    .   1   1   7    7    ARG   HB2    H   1   1.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     25    .   1   1   7    7    ARG   HB3    H   1   1.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     26    .   1   1   7    7    ARG   HG2    H   1   1.59   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     27    .   1   1   7    7    ARG   HG3    H   1   1.59   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     28    .   1   1   8    8    CYS   H      H   1   9.35   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     29    .   1   1   8    8    CYS   HA     H   1   3.95   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     30    .   1   1   8    8    CYS   HB2    H   1   2.90   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     31    .   1   1   8    8    CYS   HB3    H   1   3.12   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     32    .   1   1   9    9    PRO   HA     H   1   3.92   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     33    .   1   1   9    9    PRO   HB2    H   1   1.50   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     34    .   1   1   9    9    PRO   HB3    H   1   1.82   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     35    .   1   1   9    9    PRO   HG2    H   1   1.00   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     36    .   1   1   9    9    PRO   HG3    H   1   1.00   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     37    .   1   1   9    9    PRO   HD2    H   1   2.83   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     38    .   1   1   9    9    PRO   HD3    H   1   2.83   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     39    .   1   1   10   10   LYS   H      H   1   8.52   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     40    .   1   1   10   10   LYS   HA     H   1   3.98   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     41    .   1   1   10   10   LYS   HB2    H   1   1.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     42    .   1   1   10   10   LYS   HB3    H   1   1.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     43    .   1   1   11   11   GLN   H      H   1   9.11   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     44    .   1   1   11   11   GLN   HA     H   1   4.00   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     45    .   1   1   11   11   GLN   HB2    H   1   1.45   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     46    .   1   1   11   11   GLN   HB3    H   1   1.45   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     47    .   1   1   11   11   GLN   HG2    H   1   1.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     48    .   1   1   11   11   GLN   HG3    H   1   1.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     49    .   1   1   12   12   TYR   H      H   1   7.90   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     50    .   1   1   12   12   TYR   HA     H   1   4.79   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     51    .   1   1   12   12   TYR   HB2    H   1   2.31   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     52    .   1   1   12   12   TYR   HB3    H   1   3.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     53    .   1   1   12   12   TYR   HD1    H   1   6.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     54    .   1   1   12   12   TYR   HD2    H   1   6.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     55    .   1   1   12   12   TYR   HE1    H   1   6.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     56    .   1   1   12   12   TYR   HE2    H   1   6.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     57    .   1   1   13   13   LYS   H      H   1   7.37   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     58    .   1   1   13   13   LYS   HA     H   1   3.89   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     59    .   1   1   13   13   LYS   HB2    H   1   1.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     60    .   1   1   13   13   LYS   HB3    H   1   1.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     61    .   1   1   13   13   LYS   HG2    H   1   0.94   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     62    .   1   1   13   13   LYS   HG3    H   1   0.94   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     63    .   1   1   13   13   LYS   HD2    H   1   1.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     64    .   1   1   13   13   LYS   HD3    H   1   1.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     65    .   1   1   14   14   HIS   H      H   1   8.75   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     66    .   1   1   14   14   HIS   HA     H   1   4.97   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     67    .   1   1   14   14   HIS   HB2    H   1   2.87   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     68    .   1   1   14   14   HIS   HB3    H   1   3.46   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     69    .   1   1   14   14   HIS   HD2    H   1   6.78   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     70    .   1   1   14   14   HIS   HE1    H   1   8.58   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     71    .   1   1   15   15   TYR   H      H   1   7.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     72    .   1   1   15   15   TYR   HA     H   1   4.10   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     73    .   1   1   15   15   TYR   HB2    H   1   2.90   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     74    .   1   1   15   15   TYR   HB3    H   1   3.27   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     75    .   1   1   15   15   TYR   HD1    H   1   7.07   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     76    .   1   1   15   15   TYR   HD2    H   1   7.07   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     77    .   1   1   15   15   TYR   HE1    H   1   7.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     78    .   1   1   15   15   TYR   HE2    H   1   7.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     79    .   1   1   16   16   CYS   H      H   1   8.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     80    .   1   1   16   16   CYS   HA     H   1   4.26   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     81    .   1   1   16   16   CYS   HB2    H   1   1.90   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     82    .   1   1   16   16   CYS   HB3    H   1   2.46   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     83    .   1   1   17   17   ILE   H      H   1   8.51   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     84    .   1   1   17   17   ILE   HA     H   1   3.84   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     85    .   1   1   17   17   ILE   HB     H   1   1.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     86    .   1   1   17   17   ILE   HG21   H   1   0.77   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     87    .   1   1   17   17   ILE   HG22   H   1   0.77   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     88    .   1   1   17   17   ILE   HG23   H   1   0.77   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     89    .   1   1   17   17   ILE   HD11   H   1   0.58   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     90    .   1   1   17   17   ILE   HD12   H   1   0.58   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     91    .   1   1   17   17   ILE   HD13   H   1   0.58   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     92    .   1   1   18   18   LYS   H      H   1   6.82   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     93    .   1   1   18   18   LYS   HA     H   1   4.32   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     94    .   1   1   18   18   LYS   HB2    H   1   1.62   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     95    .   1   1   18   18   LYS   HB3    H   1   1.62   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     96    .   1   1   18   18   LYS   HG2    H   1   0.82   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     97    .   1   1   18   18   LYS   HG3    H   1   0.82   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     98    .   1   1   18   18   LYS   HD2    H   1   1.23   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     99    .   1   1   18   18   LYS   HD3    H   1   1.23   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     100   .   1   1   19   19   GLY   H      H   1   6.92   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     101   .   1   1   19   19   GLY   HA2    H   1   3.91   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     102   .   1   1   19   19   GLY   HA3    H   1   4.11   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     103   .   1   1   20   20   ARG   H      H   1   8.28   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     104   .   1   1   20   20   ARG   HA     H   1   4.54   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     105   .   1   1   20   20   ARG   HB2    H   1   1.65   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     106   .   1   1   20   20   ARG   HB3    H   1   1.65   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     107   .   1   1   20   20   ARG   HG2    H   1   1.54   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     108   .   1   1   20   20   ARG   HG3    H   1   1.54   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     109   .   1   1   20   20   ARG   HD2    H   1   3.08   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     110   .   1   1   20   20   ARG   HD3    H   1   3.08   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     111   .   1   1   21   21   CYS   H      H   1   8.92   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     112   .   1   1   21   21   CYS   HA     H   1   5.18   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     113   .   1   1   21   21   CYS   HB2    H   1   3.18   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     114   .   1   1   21   21   CYS   HB3    H   1   3.38   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     115   .   1   1   22   22   ARG   H      H   1   9.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     116   .   1   1   22   22   ARG   HA     H   1   4.65   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     117   .   1   1   22   22   ARG   HB2    H   1   1.40   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     118   .   1   1   22   22   ARG   HB3    H   1   1.40   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     119   .   1   1   22   22   ARG   HG2    H   1   1.21   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     120   .   1   1   22   22   ARG   HG3    H   1   1.21   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     121   .   1   1   23   23   PHE   H      H   1   9.05   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     122   .   1   1   23   23   PHE   HA     H   1   4.86   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     123   .   1   1   23   23   PHE   HB2    H   1   2.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     124   .   1   1   23   23   PHE   HB3    H   1   2.83   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     125   .   1   1   23   23   PHE   HD1    H   1   6.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     126   .   1   1   23   23   PHE   HD2    H   1   6.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     127   .   1   1   23   23   PHE   HE1    H   1   7.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     128   .   1   1   23   23   PHE   HE2    H   1   7.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     129   .   1   1   24   24   VAL   H      H   1   8.04   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     130   .   1   1   24   24   VAL   HA     H   1   4.00   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     131   .   1   1   24   24   VAL   HB     H   1   1.91   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     132   .   1   1   24   24   VAL   HG11   H   1   0.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     133   .   1   1   24   24   VAL   HG12   H   1   0.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     134   .   1   1   24   24   VAL   HG13   H   1   0.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     135   .   1   1   24   24   VAL   HG21   H   1   0.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     136   .   1   1   24   24   VAL   HG22   H   1   0.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     137   .   1   1   24   24   VAL   HG23   H   1   0.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     138   .   1   1   25   25   VAL   H      H   1   8.00   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     139   .   1   1   25   25   VAL   HA     H   1   3.16   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     140   .   1   1   25   25   VAL   HB     H   1   1.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     141   .   1   1   25   25   VAL   HG11   H   1   0.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     142   .   1   1   25   25   VAL   HG12   H   1   0.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     143   .   1   1   25   25   VAL   HG13   H   1   0.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     144   .   1   1   25   25   VAL   HG21   H   1   0.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     145   .   1   1   25   25   VAL   HG22   H   1   0.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     146   .   1   1   25   25   VAL   HG23   H   1   0.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     147   .   1   1   26   26   ALA   H      H   1   8.97   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     148   .   1   1   26   26   ALA   HA     H   1   3.98   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     149   .   1   1   26   26   ALA   HB1    H   1   1.25   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     150   .   1   1   26   26   ALA   HB2    H   1   1.25   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     151   .   1   1   26   26   ALA   HB3    H   1   1.25   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     152   .   1   1   27   27   GLU   H      H   1   6.34   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     153   .   1   1   27   27   GLU   HA     H   1   4.31   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     154   .   1   1   27   27   GLU   HB2    H   1   1.44   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     155   .   1   1   27   27   GLU   HB3    H   1   1.44   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     156   .   1   1   27   27   GLU   HG2    H   1   2.15   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     157   .   1   1   27   27   GLU   HG3    H   1   2.15   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     158   .   1   1   28   28   GLN   H      H   1   7.83   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     159   .   1   1   28   28   GLN   HA     H   1   3.09   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     160   .   1   1   28   28   GLN   HB2    H   1   1.24   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     161   .   1   1   28   28   GLN   HB3    H   1   1.24   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     162   .   1   1   28   28   GLN   HG2    H   1   2.19   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     163   .   1   1   28   28   GLN   HG3    H   1   2.19   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     164   .   1   1   29   29   THR   H      H   1   6.45   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     165   .   1   1   29   29   THR   HA     H   1   4.63   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     166   .   1   1   29   29   THR   HB     H   1   3.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     167   .   1   1   29   29   THR   HG21   H   1   0.97   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     168   .   1   1   29   29   THR   HG22   H   1   0.97   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     169   .   1   1   29   29   THR   HG23   H   1   0.97   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     170   .   1   1   30   30   PRO   HA     H   1   3.87   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     171   .   1   1   30   30   PRO   HB2    H   1   1.74   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     172   .   1   1   30   30   PRO   HB3    H   1   1.78   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     173   .   1   1   30   30   PRO   HG2    H   1   1.35   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     174   .   1   1   30   30   PRO   HG3    H   1   1.60   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     175   .   1   1   30   30   PRO   HD2    H   1   2.80   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     176   .   1   1   30   30   PRO   HD3    H   1   2.80   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     177   .   1   1   31   31   SER   H      H   1   8.57   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     178   .   1   1   31   31   SER   HA     H   1   4.79   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     179   .   1   1   31   31   SER   HB2    H   1   3.74   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     180   .   1   1   31   31   SER   HB3    H   1   3.74   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     181   .   1   1   32   32   CYS   H      H   1   8.85   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     182   .   1   1   32   32   CYS   HA     H   1   5.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     183   .   1   1   32   32   CYS   HB2    H   1   2.47   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     184   .   1   1   32   32   CYS   HB3    H   1   2.66   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     185   .   1   1   33   33   VAL   H      H   1   9.01   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     186   .   1   1   33   33   VAL   HA     H   1   4.13   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     187   .   1   1   33   33   VAL   HB     H   1   1.80   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     188   .   1   1   33   33   VAL   HG11   H   1   0.79   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     189   .   1   1   33   33   VAL   HG12   H   1   0.79   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     190   .   1   1   33   33   VAL   HG13   H   1   0.79   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     191   .   1   1   33   33   VAL   HG21   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     192   .   1   1   33   33   VAL   HG22   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     193   .   1   1   33   33   VAL   HG23   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     194   .   1   1   34   34   CYS   H      H   1   9.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     195   .   1   1   34   34   CYS   HA     H   1   4.95   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     196   .   1   1   34   34   CYS   HB2    H   1   2.60   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     197   .   1   1   34   34   CYS   HB3    H   1   3.25   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     198   .   1   1   35   35   ASP   H      H   1   8.76   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     199   .   1   1   35   35   ASP   HA     H   1   4.44   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     200   .   1   1   35   35   ASP   HB2    H   1   2.33   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     201   .   1   1   35   35   ASP   HB3    H   1   2.86   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     202   .   1   1   36   36   GLU   H      H   1   8.47   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     203   .   1   1   36   36   GLU   HA     H   1   4.80   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     204   .   1   1   36   36   GLU   HB2    H   1   1.51   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     205   .   1   1   36   36   GLU   HB3    H   1   1.51   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     206   .   1   1   36   36   GLU   HG2    H   1   1.63   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     207   .   1   1   36   36   GLU   HG3    H   1   1.63   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     208   .   1   1   37   37   GLY   H      H   1   8.51   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     209   .   1   1   37   37   GLY   HA2    H   1   3.28   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     210   .   1   1   37   37   GLY   HA3    H   1   3.28   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     211   .   1   1   38   38   TYR   H      H   1   7.89   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     212   .   1   1   38   38   TYR   HA     H   1   5.12   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     213   .   1   1   38   38   TYR   HB2    H   1   2.59   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     214   .   1   1   38   38   TYR   HB3    H   1   2.74   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     215   .   1   1   38   38   TYR   HD1    H   1   6.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     216   .   1   1   38   38   TYR   HD2    H   1   6.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     217   .   1   1   38   38   TYR   HE1    H   1   6.59   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     218   .   1   1   38   38   TYR   HE2    H   1   6.59   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     219   .   1   1   39   39   ILE   H      H   1   9.11   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     220   .   1   1   39   39   ILE   HA     H   1   4.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     221   .   1   1   39   39   ILE   HB     H   1   1.76   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     222   .   1   1   39   39   ILE   HG12   H   1   1.18   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     223   .   1   1   39   39   ILE   HG13   H   1   1.18   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     224   .   1   1   39   39   ILE   HD11   H   1   0.70   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     225   .   1   1   39   39   ILE   HD12   H   1   0.70   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     226   .   1   1   39   39   ILE   HD13   H   1   0.70   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     227   .   1   1   39   39   ILE   HG21   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     228   .   1   1   39   39   ILE   HG22   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     229   .   1   1   39   39   ILE   HG23   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     230   .   1   1   40   40   GLY   H      H   1   7.73   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     231   .   1   1   40   40   GLY   HA2    H   1   3.69   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     232   .   1   1   40   40   GLY   HA3    H   1   4.89   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     233   .   1   1   41   41   ALA   H      H   1   9.05   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     234   .   1   1   41   41   ALA   HA     H   1   4.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     235   .   1   1   41   41   ALA   HB1    H   1   1.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     236   .   1   1   41   41   ALA   HB2    H   1   1.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     237   .   1   1   41   41   ALA   HB3    H   1   1.43   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     238   .   1   1   42   42   ARG   H      H   1   8.17   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     239   .   1   1   42   42   ARG   HA     H   1   4.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     240   .   1   1   42   42   ARG   HB2    H   1   1.18   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     241   .   1   1   42   42   ARG   HB3    H   1   1.12   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     242   .   1   1   42   42   ARG   HG2    H   1   0.35   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     243   .   1   1   42   42   ARG   HG3    H   1   0.35   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     244   .   1   1   43   43   CYS   H      H   1   7.91   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     245   .   1   1   43   43   CYS   HA     H   1   3.80   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     246   .   1   1   43   43   CYS   HB2    H   1   2.37   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     247   .   1   1   43   43   CYS   HB3    H   1   2.77   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     248   .   1   1   44   44   GLU   H      H   1   9.42   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     249   .   1   1   44   44   GLU   HA     H   1   4.36   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     250   .   1   1   44   44   GLU   HB2    H   1   1.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     251   .   1   1   44   44   GLU   HB3    H   1   1.68   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     252   .   1   1   44   44   GLU   HG2    H   1   2.14   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     253   .   1   1   44   44   GLU   HG3    H   1   2.14   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     254   .   1   1   45   45   ARG   H      H   1   8.47   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     255   .   1   1   45   45   ARG   HA     H   1   4.77   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     256   .   1   1   45   45   ARG   HB2    H   1   1.57   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     257   .   1   1   45   45   ARG   HB3    H   1   1.57   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     258   .   1   1   45   45   ARG   HG2    H   1   1.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     259   .   1   1   45   45   ARG   HG3    H   1   1.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     260   .   1   1   46   46   VAL   H      H   1   8.22   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     261   .   1   1   46   46   VAL   HA     H   1   3.71   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     262   .   1   1   46   46   VAL   HB     H   1   1.73   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     263   .   1   1   46   46   VAL   HG11   H   1   0.75   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     264   .   1   1   46   46   VAL   HG12   H   1   0.75   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     265   .   1   1   46   46   VAL   HG13   H   1   0.75   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     266   .   1   1   46   46   VAL   HG21   H   1   0.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     267   .   1   1   46   46   VAL   HG22   H   1   0.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     268   .   1   1   46   46   VAL   HG23   H   1   0.64   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     269   .   1   1   47   47   ASP   H      H   1   8.08   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     270   .   1   1   47   47   ASP   HA     H   1   4.36   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     271   .   1   1   47   47   ASP   HB2    H   1   2.12   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     272   .   1   1   47   47   ASP   HB3    H   1   2.49   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     273   .   1   1   48   48   LEU   H      H   1   7.89   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     274   .   1   1   48   48   LEU   HA     H   1   4.03   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     275   .   1   1   48   48   LEU   HB2    H   1   1.31   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     276   .   1   1   48   48   LEU   HB3    H   1   1.31   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     277   .   1   1   48   48   LEU   HG     H   1   1.20   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     278   .   1   1   48   48   LEU   HD11   H   1   0.66   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     279   .   1   1   48   48   LEU   HD12   H   1   0.66   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     280   .   1   1   48   48   LEU   HD13   H   1   0.66   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     281   .   1   1   48   48   LEU   HD21   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     282   .   1   1   48   48   LEU   HD22   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     283   .   1   1   48   48   LEU   HD23   H   1   0.67   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     284   .   1   1   49   49   PHE   H      H   1   7.85   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     285   .   1   1   49   49   PHE   HA     H   1   4.41   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     286   .   1   1   49   49   PHE   HB2    H   1   2.81   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     287   .   1   1   49   49   PHE   HB3    H   1   3.02   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     288   .   1   1   50   50   TYR   H      H   1   7.48   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     289   .   1   1   50   50   TYR   HA     H   1   4.25   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     290   .   1   1   50   50   TYR   HB2    H   1   2.79   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    
     291   .   1   1   50   50   TYR   HB3    H   1   2.90   0.03   .   1   .   .   .   .   .   .   .   .   .   4990   1    

   stop_

save_