###################################
     #  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                     18363
   _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

     1   '2D 1H-15N HSQC'   .   .   .   18363   1    
     2   '2D 1H-13C HSQC'   .   .   .   18363   1    
     3   '2D 1H-1H TOCSY'   .   .   .   18363   1    
     5   '2D 1H-1H NOESY'   .   .   .   18363   1    

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

     1     .   1   1   1    1    THR   HA     H   1    3.834     0.001   .   1   .   .   .   A   1    THR   HA     .   18363   1    
     2     .   1   1   1    1    THR   HB     H   1    4.097     0.002   .   1   .   .   .   A   1    THR   HB     .   18363   1    
     3     .   1   1   1    1    THR   HG21   H   1    1.264     0.05    .   1   .   .   .   A   1    THR   HG21   .   18363   1    
     4     .   1   1   1    1    THR   HG22   H   1    1.264     0.05    .   1   .   .   .   A   1    THR   HG22   .   18363   1    
     5     .   1   1   1    1    THR   HG23   H   1    1.264     0.05    .   1   .   .   .   A   1    THR   HG23   .   18363   1    
     6     .   1   1   1    1    THR   CA     C   13   58.305    0.1     .   1   .   .   .   A   1    THR   CA     .   18363   1    
     7     .   1   1   1    1    THR   CB     C   13   66.124    0.1     .   1   .   .   .   A   1    THR   CB     .   18363   1    
     8     .   1   1   2    2    CYS   H      H   1    8.875     0.002   .   1   .   .   .   A   2    CYS   H      .   18363   1    
     9     .   1   1   2    2    CYS   HA     H   1    4.867     0.003   .   1   .   .   .   A   2    CYS   HA     .   18363   1    
     10    .   1   1   2    2    CYS   HB2    H   1    3.192     0.05    .   2   .   .   .   A   2    CYS   HB2    .   18363   1    
     11    .   1   1   2    2    CYS   HB3    H   1    3.053     0.05    .   2   .   .   .   A   2    CYS   HB3    .   18363   1    
     12    .   1   1   2    2    CYS   N      N   15   122.143   0.1     .   1   .   .   .   A   2    CYS   N      .   18363   1    
     13    .   1   1   3    3    HIS   H      H   1    9.010     0.014   .   1   .   .   .   A   3    HIS   H      .   18363   1    
     14    .   1   1   3    3    HIS   HA     H   1    4.738     0.007   .   1   .   .   .   A   3    HIS   HA     .   18363   1    
     15    .   1   1   3    3    HIS   HB2    H   1    2.982     0.007   .   2   .   .   .   A   3    HIS   HB2    .   18363   1    
     16    .   1   1   3    3    HIS   HB3    H   1    3.250     0.008   .   2   .   .   .   A   3    HIS   HB3    .   18363   1    
     17    .   1   1   3    3    HIS   CA     C   13   52.500    0.1     .   1   .   .   .   A   3    HIS   CA     .   18363   1    
     18    .   1   1   3    3    HIS   CB     C   13   26.230    0.011   .   1   .   .   .   A   3    HIS   CB     .   18363   1    
     19    .   1   1   3    3    HIS   N      N   15   121.482   0.000   .   1   .   .   .   A   3    HIS   N      .   18363   1    
     20    .   1   1   4    4    ILE   H      H   1    8.425     0.014   .   1   .   .   .   A   4    ILE   H      .   18363   1    
     21    .   1   1   4    4    ILE   HA     H   1    4.189     0.001   .   1   .   .   .   A   4    ILE   HA     .   18363   1    
     22    .   1   1   4    4    ILE   HB     H   1    1.877     0.006   .   1   .   .   .   A   4    ILE   HB     .   18363   1    
     23    .   1   1   4    4    ILE   HG13   H   1    1.201     0.002   .   2   .   .   .   A   4    ILE   HG13   .   18363   1    
     24    .   1   1   4    4    ILE   HG21   H   1    0.934     0.05    .   1   .   .   .   A   4    ILE   HG21   .   18363   1    
     25    .   1   1   4    4    ILE   HG22   H   1    0.934     0.05    .   1   .   .   .   A   4    ILE   HG22   .   18363   1    
     26    .   1   1   4    4    ILE   HG23   H   1    0.934     0.05    .   1   .   .   .   A   4    ILE   HG23   .   18363   1    
     27    .   1   1   4    4    ILE   HD11   H   1    0.901     0.05    .   1   .   .   .   A   4    ILE   HD11   .   18363   1    
     28    .   1   1   4    4    ILE   HD12   H   1    0.901     0.05    .   1   .   .   .   A   4    ILE   HD12   .   18363   1    
     29    .   1   1   4    4    ILE   HD13   H   1    0.901     0.05    .   1   .   .   .   A   4    ILE   HD13   .   18363   1    
     30    .   1   1   4    4    ILE   CA     C   13   58.576    0.1     .   1   .   .   .   A   4    ILE   CA     .   18363   1    
     31    .   1   1   4    4    ILE   CB     C   13   35.731    0.1     .   1   .   .   .   A   4    ILE   CB     .   18363   1    
     32    .   1   1   4    4    ILE   N      N   15   123.626   0.1     .   1   .   .   .   A   4    ILE   N      .   18363   1    
     33    .   1   1   5    5    ARG   H      H   1    8.711     0.006   .   1   .   .   .   A   5    ARG   H      .   18363   1    
     34    .   1   1   5    5    ARG   HA     H   1    4.414     0.006   .   1   .   .   .   A   5    ARG   HA     .   18363   1    
     35    .   1   1   5    5    ARG   HB2    H   1    1.714     0.003   .   2   .   .   .   A   5    ARG   HB2    .   18363   1    
     36    .   1   1   5    5    ARG   HB3    H   1    1.814     0.002   .   2   .   .   .   A   5    ARG   HB3    .   18363   1    
     37    .   1   1   5    5    ARG   HG2    H   1    1.524     0.003   .   2   .   .   .   A   5    ARG   HG2    .   18363   1    
     38    .   1   1   5    5    ARG   HG3    H   1    1.579     0.003   .   2   .   .   .   A   5    ARG   HG3    .   18363   1    
     39    .   1   1   5    5    ARG   HD3    H   1    3.031     0.002   .   2   .   .   .   A   5    ARG   HD3    .   18363   1    
     40    .   1   1   5    5    ARG   HE     H   1    7.201     0.002   .   1   .   .   .   A   5    ARG   HE     .   18363   1    
     41    .   1   1   5    5    ARG   CA     C   13   53.653    0.1     .   1   .   .   .   A   5    ARG   CA     .   18363   1    
     42    .   1   1   5    5    ARG   CB     C   13   29.043    0.1     .   1   .   .   .   A   5    ARG   CB     .   18363   1    
     43    .   1   1   5    5    ARG   N      N   15   126.410   0.1     .   1   .   .   .   A   5    ARG   N      .   18363   1    
     44    .   1   1   6    6    ARG   H      H   1    8.325     0.010   .   1   .   .   .   A   6    ARG   H      .   18363   1    
     45    .   1   1   6    6    ARG   HA     H   1    4.367     0.001   .   1   .   .   .   A   6    ARG   HA     .   18363   1    
     46    .   1   1   6    6    ARG   HB2    H   1    1.768     0.020   .   2   .   .   .   A   6    ARG   HB2    .   18363   1    
     47    .   1   1   6    6    ARG   HB3    H   1    1.833     0.002   .   2   .   .   .   A   6    ARG   HB3    .   18363   1    
     48    .   1   1   6    6    ARG   HG2    H   1    1.610     0.05    .   2   .   .   .   A   6    ARG   HG2    .   18363   1    
     49    .   1   1   6    6    ARG   HG3    H   1    1.655     0.05    .   2   .   .   .   A   6    ARG   HG3    .   18363   1    
     50    .   1   1   6    6    ARG   HD3    H   1    3.172     0.003   .   2   .   .   .   A   6    ARG   HD3    .   18363   1    
     51    .   1   1   6    6    ARG   HE     H   1    7.228     0.011   .   1   .   .   .   A   6    ARG   HE     .   18363   1    
     52    .   1   1   6    6    ARG   CA     C   13   52.886    0.1     .   1   .   .   .   A   6    ARG   CA     .   18363   1    
     53    .   1   1   6    6    ARG   CB     C   13   28.586    0.1     .   1   .   .   .   A   6    ARG   CB     .   18363   1    
     54    .   1   1   6    6    ARG   N      N   15   122.179   0.1     .   1   .   .   .   A   6    ARG   N      .   18363   1    
     55    .   1   1   7    7    LYS   H      H   1    8.447     0.002   .   1   .   .   .   A   7    LYS   H      .   18363   1    
     56    .   1   1   7    7    LYS   HA     H   1    4.476     0.020   .   1   .   .   .   A   7    LYS   HA     .   18363   1    
     57    .   1   1   7    7    LYS   HB3    H   1    1.814     0.003   .   2   .   .   .   A   7    LYS   HB3    .   18363   1    
     58    .   1   1   7    7    LYS   HG3    H   1    1.429     0.05    .   2   .   .   .   A   7    LYS   HG3    .   18363   1    
     59    .   1   1   7    7    LYS   HD3    H   1    1.691     0.05    .   2   .   .   .   A   7    LYS   HD3    .   18363   1    
     60    .   1   1   7    7    LYS   HE3    H   1    3.005     0.05    .   2   .   .   .   A   7    LYS   HE3    .   18363   1    
     61    .   1   1   7    7    LYS   CA     C   13   51.935    0.1     .   1   .   .   .   A   7    LYS   CA     .   18363   1    
     62    .   1   1   7    7    LYS   CB     C   13   29.578    0.1     .   1   .   .   .   A   7    LYS   CB     .   18363   1    
     63    .   1   1   7    7    LYS   N      N   15   123.819   0.1     .   1   .   .   .   A   7    LYS   N      .   18363   1    
     64    .   1   1   8    8    PRO   HA     H   1    4.393     0.003   .   1   .   .   .   A   8    PRO   HA     .   18363   1    
     65    .   1   1   8    8    PRO   HB2    H   1    2.242     0.002   .   2   .   .   .   A   8    PRO   HB2    .   18363   1    
     66    .   1   1   8    8    PRO   HG2    H   1    1.845     0.05    .   2   .   .   .   A   8    PRO   HG2    .   18363   1    
     67    .   1   1   8    8    PRO   HG3    H   1    1.981     0.001   .   2   .   .   .   A   8    PRO   HG3    .   18363   1    
     68    .   1   1   8    8    PRO   HD2    H   1    3.571     0.004   .   2   .   .   .   A   8    PRO   HD2    .   18363   1    
     69    .   1   1   8    8    PRO   HD3    H   1    3.802     0.002   .   2   .   .   .   A   8    PRO   HD3    .   18363   1    
     70    .   1   1   8    8    PRO   CA     C   13   60.435    0.1     .   1   .   .   .   A   8    PRO   CA     .   18363   1    
     71    .   1   1   8    8    PRO   CB     C   13   29.255    0.1     .   1   .   .   .   A   8    PRO   CB     .   18363   1    
     72    .   1   1   8    8    PRO   CD     C   13   47.795    0.041   .   1   .   .   .   A   8    PRO   CD     .   18363   1    
     73    .   1   1   9    9    LYS   H      H   1    8.399     0.002   .   1   .   .   .   A   9    LYS   H      .   18363   1    
     74    .   1   1   9    9    LYS   HA     H   1    4.166     0.007   .   1   .   .   .   A   9    LYS   HA     .   18363   1    
     75    .   1   1   9    9    LYS   HB2    H   1    1.688     0.05    .   2   .   .   .   A   9    LYS   HB2    .   18363   1    
     76    .   1   1   9    9    LYS   HB3    H   1    1.662     0.05    .   2   .   .   .   A   9    LYS   HB3    .   18363   1    
     77    .   1   1   9    9    LYS   HG3    H   1    1.227     0.05    .   2   .   .   .   A   9    LYS   HG3    .   18363   1    
     78    .   1   1   9    9    LYS   HD3    H   1    1.335     0.05    .   2   .   .   .   A   9    LYS   HD3    .   18363   1    
     79    .   1   1   9    9    LYS   HE3    H   1    2.697     0.05    .   2   .   .   .   A   9    LYS   HE3    .   18363   1    
     80    .   1   1   9    9    LYS   CA     C   13   54.057    0.1     .   1   .   .   .   A   9    LYS   CA     .   18363   1    
     81    .   1   1   9    9    LYS   CB     C   13   29.997    0.1     .   1   .   .   .   A   9    LYS   CB     .   18363   1    
     82    .   1   1   9    9    LYS   N      N   15   120.323   0.1     .   1   .   .   .   A   9    LYS   N      .   18363   1    
     83    .   1   1   10   10   PHE   H      H   1    8.053     0.008   .   1   .   .   .   A   10   PHE   H      .   18363   1    
     84    .   1   1   10   10   PHE   HA     H   1    4.688     0.002   .   1   .   .   .   A   10   PHE   HA     .   18363   1    
     85    .   1   1   10   10   PHE   HB2    H   1    3.202     0.001   .   2   .   .   .   A   10   PHE   HB2    .   18363   1    
     86    .   1   1   10   10   PHE   HB3    H   1    3.068     0.001   .   2   .   .   .   A   10   PHE   HB3    .   18363   1    
     87    .   1   1   10   10   PHE   CA     C   13   55.395    0.1     .   1   .   .   .   A   10   PHE   CA     .   18363   1    
     88    .   1   1   10   10   PHE   CB     C   13   37.156    0.009   .   1   .   .   .   A   10   PHE   CB     .   18363   1    
     89    .   1   1   10   10   PHE   N      N   15   121.894   0.1     .   1   .   .   .   A   10   PHE   N      .   18363   1    
     90    .   1   1   11   11   ARG   H      H   1    8.213     0.001   .   1   .   .   .   A   11   ARG   H      .   18363   1    
     91    .   1   1   11   11   ARG   HA     H   1    4.269     0.001   .   1   .   .   .   A   11   ARG   HA     .   18363   1    
     92    .   1   1   11   11   ARG   HB2    H   1    1.809     0.017   .   2   .   .   .   A   11   ARG   HB2    .   18363   1    
     93    .   1   1   11   11   ARG   HB3    H   1    1.727     0.016   .   2   .   .   .   A   11   ARG   HB3    .   18363   1    
     94    .   1   1   11   11   ARG   HG2    H   1    1.533     0.05    .   2   .   .   .   A   11   ARG   HG2    .   18363   1    
     95    .   1   1   11   11   ARG   HG3    H   1    1.583     0.015   .   2   .   .   .   A   11   ARG   HG3    .   18363   1    
     96    .   1   1   11   11   ARG   HD3    H   1    3.173     0.004   .   2   .   .   .   A   11   ARG   HD3    .   18363   1    
     97    .   1   1   11   11   ARG   HE     H   1    7.244     0.008   .   1   .   .   .   A   11   ARG   HE     .   18363   1    
     98    .   1   1   11   11   ARG   CA     C   13   53.554    0.1     .   1   .   .   .   A   11   ARG   CA     .   18363   1    
     99    .   1   1   11   11   ARG   CB     C   13   28.504    0.1     .   1   .   .   .   A   11   ARG   CB     .   18363   1    
     100   .   1   1   11   11   ARG   N      N   15   122.102   0.1     .   1   .   .   .   A   11   ARG   N      .   18363   1    
     101   .   1   1   12   12   LYS   H      H   1    8.188     0.004   .   1   .   .   .   A   12   LYS   H      .   18363   1    
     102   .   1   1   12   12   LYS   HA     H   1    4.215     0.002   .   1   .   .   .   A   12   LYS   HA     .   18363   1    
     103   .   1   1   12   12   LYS   HB3    H   1    1.743     0.05    .   2   .   .   .   A   12   LYS   HB3    .   18363   1    
     104   .   1   1   12   12   LYS   HG2    H   1    1.268     0.05    .   2   .   .   .   A   12   LYS   HG2    .   18363   1    
     105   .   1   1   12   12   LYS   HG3    H   1    1.352     0.05    .   2   .   .   .   A   12   LYS   HG3    .   18363   1    
     106   .   1   1   12   12   LYS   HD3    H   1    1.680     0.05    .   2   .   .   .   A   12   LYS   HD3    .   18363   1    
     107   .   1   1   12   12   LYS   HE3    H   1    2.916     0.05    .   2   .   .   .   A   12   LYS   HE3    .   18363   1    
     108   .   1   1   12   12   LYS   CA     C   13   53.741    0.1     .   1   .   .   .   A   12   LYS   CA     .   18363   1    
     109   .   1   1   12   12   LYS   CB     C   13   29.790    0.1     .   1   .   .   .   A   12   LYS   CB     .   18363   1    
     110   .   1   1   12   12   LYS   N      N   15   121.158   0.1     .   1   .   .   .   A   12   LYS   N      .   18363   1    
     111   .   1   1   13   13   PHE   H      H   1    8.042     0.006   .   1   .   .   .   A   13   PHE   H      .   18363   1    
     112   .   1   1   13   13   PHE   HA     H   1    4.668     0.005   .   1   .   .   .   A   13   PHE   HA     .   18363   1    
     113   .   1   1   13   13   PHE   HB2    H   1    3.055     0.005   .   2   .   .   .   A   13   PHE   HB2    .   18363   1    
     114   .   1   1   13   13   PHE   HB3    H   1    3.181     0.009   .   2   .   .   .   A   13   PHE   HB3    .   18363   1    
     115   .   1   1   13   13   PHE   CA     C   13   54.624    0.1     .   1   .   .   .   A   13   PHE   CA     .   18363   1    
     116   .   1   1   13   13   PHE   CB     C   13   40.464    0.003   .   1   .   .   .   A   13   PHE   CB     .   18363   1    
     117   .   1   1   13   13   PHE   N      N   15   119.869   0.1     .   1   .   .   .   A   13   PHE   N      .   18363   1    
     118   .   1   1   14   14   LYS   H      H   1    8.297     0.003   .   1   .   .   .   A   14   LYS   H      .   18363   1    
     119   .   1   1   14   14   LYS   HA     H   1    4.228     0.004   .   1   .   .   .   A   14   LYS   HA     .   18363   1    
     120   .   1   1   14   14   LYS   HB3    H   1    1.730     0.004   .   2   .   .   .   A   14   LYS   HB3    .   18363   1    
     121   .   1   1   14   14   LYS   HG2    H   1    1.307     0.05    .   2   .   .   .   A   14   LYS   HG2    .   18363   1    
     122   .   1   1   14   14   LYS   HG3    H   1    1.364     0.05    .   2   .   .   .   A   14   LYS   HG3    .   18363   1    
     123   .   1   1   14   14   LYS   HD2    H   1    1.597     0.05    .   2   .   .   .   A   14   LYS   HD2    .   18363   1    
     124   .   1   1   14   14   LYS   HD3    H   1    1.676     0.05    .   2   .   .   .   A   14   LYS   HD3    .   18363   1    
     125   .   1   1   14   14   LYS   HE3    H   1    2.969     0.05    .   2   .   .   .   A   14   LYS   HE3    .   18363   1    
     126   .   1   1   14   14   LYS   CA     C   13   57.694    0.1     .   1   .   .   .   A   14   LYS   CA     .   18363   1    
     127   .   1   1   14   14   LYS   CB     C   13   29.816    0.1     .   1   .   .   .   A   14   LYS   CB     .   18363   1    
     128   .   1   1   14   14   LYS   N      N   15   122.425   0.1     .   1   .   .   .   A   14   LYS   N      .   18363   1    
     129   .   1   1   15   15   LEU   H      H   1    8.064     0.010   .   1   .   .   .   A   15   LEU   H      .   18363   1    
     130   .   1   1   15   15   LEU   HA     H   1    4.406     0.006   .   1   .   .   .   A   15   LEU   HA     .   18363   1    
     131   .   1   1   15   15   LEU   HB2    H   1    1.519     0.009   .   2   .   .   .   A   15   LEU   HB2    .   18363   1    
     132   .   1   1   15   15   LEU   HB3    H   1    1.607     0.001   .   2   .   .   .   A   15   LEU   HB3    .   18363   1    
     133   .   1   1   15   15   LEU   HG     H   1    1.186     0.05    .   1   .   .   .   A   15   LEU   HG     .   18363   1    
     134   .   1   1   15   15   LEU   HD11   H   1    0.885     0.003   .   2   .   .   .   A   15   LEU   HD11   .   18363   1    
     135   .   1   1   15   15   LEU   HD12   H   1    0.885     0.003   .   2   .   .   .   A   15   LEU   HD12   .   18363   1    
     136   .   1   1   15   15   LEU   HD13   H   1    0.885     0.003   .   2   .   .   .   A   15   LEU   HD13   .   18363   1    
     137   .   1   1   15   15   LEU   HD21   H   1    0.936     0.001   .   2   .   .   .   A   15   LEU   HD21   .   18363   1    
     138   .   1   1   15   15   LEU   HD22   H   1    0.936     0.001   .   2   .   .   .   A   15   LEU   HD22   .   18363   1    
     139   .   1   1   15   15   LEU   HD23   H   1    0.936     0.001   .   2   .   .   .   A   15   LEU   HD23   .   18363   1    
     140   .   1   1   15   15   LEU   CA     C   13   52.480    0.1     .   1   .   .   .   A   15   LEU   CA     .   18363   1    
     141   .   1   1   15   15   LEU   CB     C   13   40.168    0.066   .   1   .   .   .   A   15   LEU   CB     .   18363   1    
     142   .   1   1   15   15   LEU   N      N   15   118.890   0.1     .   1   .   .   .   A   15   LEU   N      .   18363   1    
     143   .   1   1   16   16   TYR   H      H   1    8.382     0.005   .   1   .   .   .   A   16   TYR   H      .   18363   1    
     144   .   1   1   16   16   TYR   HA     H   1    4.583     0.004   .   1   .   .   .   A   16   TYR   HA     .   18363   1    
     145   .   1   1   16   16   TYR   HB2    H   1    2.942     0.015   .   2   .   .   .   A   16   TYR   HB2    .   18363   1    
     146   .   1   1   16   16   TYR   HB3    H   1    2.939     0.016   .   2   .   .   .   A   16   TYR   HB3    .   18363   1    
     147   .   1   1   16   16   TYR   HD1    H   1    7.078     0.003   .   3   .   .   .   A   16   TYR   HD1    .   18363   1    
     148   .   1   1   16   16   TYR   HD2    H   1    7.078     0.003   .   3   .   .   .   A   16   TYR   HD2    .   18363   1    
     149   .   1   1   16   16   TYR   HE1    H   1    6.805     0.001   .   3   .   .   .   A   16   TYR   HE1    .   18363   1    
     150   .   1   1   16   16   TYR   HE2    H   1    6.805     0.001   .   3   .   .   .   A   16   TYR   HE2    .   18363   1    
     151   .   1   1   16   16   TYR   CA     C   13   54.902    0.1     .   1   .   .   .   A   16   TYR   CA     .   18363   1    
     152   .   1   1   16   16   TYR   CB     C   13   39.033    0.1     .   1   .   .   .   A   16   TYR   CB     .   18363   1    
     153   .   1   1   16   16   TYR   CE1    C   13   115.223   0.1     .   3   .   .   .   A   16   TYR   CE1    .   18363   1    
     154   .   1   1   16   16   TYR   CE2    C   13   115.223   0.1     .   3   .   .   .   A   16   TYR   CE2    .   18363   1    
     155   .   1   1   16   16   TYR   N      N   15   120.952   0.1     .   1   .   .   .   A   16   TYR   N      .   18363   1    
     156   .   1   1   17   17   HIS   H      H   1    8.524     0.003   .   1   .   .   .   A   17   HIS   H      .   18363   1    
     157   .   1   1   17   17   HIS   HA     H   1    4.526     0.010   .   1   .   .   .   A   17   HIS   HA     .   18363   1    
     158   .   1   1   17   17   HIS   HB2    H   1    2.845     0.05    .   2   .   .   .   A   17   HIS   HB2    .   18363   1    
     159   .   1   1   17   17   HIS   HB3    H   1    3.082     0.001   .   2   .   .   .   A   17   HIS   HB3    .   18363   1    
     160   .   1   1   17   17   HIS   CA     C   13   51.935    0.1     .   1   .   .   .   A   17   HIS   CA     .   18363   1    
     161   .   1   1   17   17   HIS   CB     C   13   26.308    0.1     .   1   .   .   .   A   17   HIS   CB     .   18363   1    
     162   .   1   1   17   17   HIS   N      N   15   120.795   0.1     .   1   .   .   .   A   17   HIS   N      .   18363   1    
     163   .   1   1   18   18   GLU   H      H   1    8.489     0.012   .   1   .   .   .   A   18   GLU   H      .   18363   1    
     164   .   1   1   18   18   GLU   HA     H   1    4.340     0.004   .   1   .   .   .   A   18   GLU   HA     .   18363   1    
     165   .   1   1   18   18   GLU   HB2    H   1    1.990     0.05    .   2   .   .   .   A   18   GLU   HB2    .   18363   1    
     166   .   1   1   18   18   GLU   HB3    H   1    2.119     0.003   .   2   .   .   .   A   18   GLU   HB3    .   18363   1    
     167   .   1   1   18   18   GLU   HG3    H   1    2.317     0.05    .   2   .   .   .   A   18   GLU   HG3    .   18363   1    
     168   .   1   1   18   18   GLU   CA     C   13   52.989    0.1     .   1   .   .   .   A   18   GLU   CA     .   18363   1    
     169   .   1   1   18   18   GLU   CB     C   13   26.490    0.1     .   1   .   .   .   A   18   GLU   CB     .   18363   1    
     170   .   1   1   18   18   GLU   N      N   15   122.417   0.1     .   1   .   .   .   A   18   GLU   N      .   18363   1    
     171   .   1   1   19   19   GLY   H      H   1    8.504     0.003   .   1   .   .   .   A   19   GLY   H      .   18363   1    
     172   .   1   1   19   19   GLY   HA2    H   1    3.930     0.012   .   2   .   .   .   A   19   GLY   HA2    .   18363   1    
     173   .   1   1   19   19   GLY   HA3    H   1    4.056     0.002   .   2   .   .   .   A   19   GLY   HA3    .   18363   1    
     174   .   1   1   19   19   GLY   CA     C   13   42.690    0.005   .   1   .   .   .   A   19   GLY   CA     .   18363   1    
     175   .   1   1   19   19   GLY   N      N   15   110.487   0.1     .   1   .   .   .   A   19   GLY   N      .   18363   1    
     176   .   1   1   20   20   LYS   H      H   1    8.348     0.002   .   1   .   .   .   A   20   LYS   H      .   18363   1    
     177   .   1   1   20   20   LYS   HA     H   1    4.278     0.001   .   1   .   .   .   A   20   LYS   HA     .   18363   1    
     178   .   1   1   20   20   LYS   HB3    H   1    1.658     0.004   .   2   .   .   .   A   20   LYS   HB3    .   18363   1    
     179   .   1   1   20   20   LYS   HG3    H   1    1.260     0.05    .   2   .   .   .   A   20   LYS   HG3    .   18363   1    
     180   .   1   1   20   20   LYS   HD3    H   1    1.598     0.05    .   2   .   .   .   A   20   LYS   HD3    .   18363   1    
     181   .   1   1   20   20   LYS   HE3    H   1    2.942     0.05    .   2   .   .   .   A   20   LYS   HE3    .   18363   1    
     182   .   1   1   20   20   LYS   CB     C   13   29.824    0.1     .   1   .   .   .   A   20   LYS   CB     .   18363   1    
     183   .   1   1   20   20   LYS   N      N   15   120.892   0.1     .   1   .   .   .   A   20   LYS   N      .   18363   1    
     184   .   1   1   21   21   PHE   H      H   1    8.196     0.001   .   1   .   .   .   A   21   PHE   H      .   18363   1    
     185   .   1   1   21   21   PHE   HA     H   1    4.661     0.002   .   1   .   .   .   A   21   PHE   HA     .   18363   1    
     186   .   1   1   21   21   PHE   HB2    H   1    2.976     0.002   .   2   .   .   .   A   21   PHE   HB2    .   18363   1    
     187   .   1   1   21   21   PHE   HB3    H   1    2.995     0.015   .   2   .   .   .   A   21   PHE   HB3    .   18363   1    
     188   .   1   1   21   21   PHE   HD1    H   1    6.977     0.003   .   3   .   .   .   A   21   PHE   HD1    .   18363   1    
     189   .   1   1   21   21   PHE   HD2    H   1    6.977     0.003   .   3   .   .   .   A   21   PHE   HD2    .   18363   1    
     190   .   1   1   21   21   PHE   HE1    H   1    7.068     0.012   .   3   .   .   .   A   21   PHE   HE1    .   18363   1    
     191   .   1   1   21   21   PHE   HE2    H   1    7.068     0.012   .   3   .   .   .   A   21   PHE   HE2    .   18363   1    
     192   .   1   1   21   21   PHE   HZ     H   1    7.165     0.05    .   1   .   .   .   A   21   PHE   HZ     .   18363   1    
     193   .   1   1   21   21   PHE   CA     C   13   54.625    0.1     .   1   .   .   .   A   21   PHE   CA     .   18363   1    
     194   .   1   1   21   21   PHE   CB     C   13   39.439    0.1     .   1   .   .   .   A   21   PHE   CB     .   18363   1    
     195   .   1   1   21   21   PHE   N      N   15   119.510   0.1     .   1   .   .   .   A   21   PHE   N      .   18363   1    
     196   .   1   1   22   22   TRP   H      H   1    8.292     0.002   .   1   .   .   .   A   22   TRP   H      .   18363   1    
     197   .   1   1   22   22   TRP   HA     H   1    5.003     0.007   .   1   .   .   .   A   22   TRP   HA     .   18363   1    
     198   .   1   1   22   22   TRP   HB2    H   1    3.181     0.005   .   2   .   .   .   A   22   TRP   HB2    .   18363   1    
     199   .   1   1   22   22   TRP   HB3    H   1    3.265     0.009   .   2   .   .   .   A   22   TRP   HB3    .   18363   1    
     200   .   1   1   22   22   TRP   HD1    H   1    7.267     0.002   .   1   .   .   .   A   22   TRP   HD1    .   18363   1    
     201   .   1   1   22   22   TRP   HE1    H   1    10.151    0.004   .   1   .   .   .   A   22   TRP   HE1    .   18363   1    
     202   .   1   1   22   22   TRP   HE3    H   1    7.564     0.011   .   1   .   .   .   A   22   TRP   HE3    .   18363   1    
     203   .   1   1   22   22   TRP   HZ2    H   1    7.241     0.000   .   1   .   .   .   A   22   TRP   HZ2    .   18363   1    
     204   .   1   1   22   22   TRP   HZ3    H   1    7.445     0.002   .   1   .   .   .   A   22   TRP   HZ3    .   18363   1    
     205   .   1   1   22   22   TRP   HH2    H   1    7.121     0.05    .   1   .   .   .   A   22   TRP   HH2    .   18363   1    
     206   .   1   1   22   22   TRP   CA     C   13   53.793    0.1     .   1   .   .   .   A   22   TRP   CA     .   18363   1    
     207   .   1   1   22   22   TRP   CB     C   13   26.551    0.003   .   1   .   .   .   A   22   TRP   CB     .   18363   1    
     208   .   1   1   22   22   TRP   N      N   15   120.353   0.1     .   1   .   .   .   A   22   TRP   N      .   18363   1    
     209   .   1   1   22   22   TRP   NE1    N   15   129.330   0.1     .   1   .   .   .   A   22   TRP   NE1    .   18363   1    
     210   .   1   1   23   23   CYS   H      H   1    8.671     0.016   .   1   .   .   .   A   23   CYS   H      .   18363   1    
     211   .   1   1   23   23   CYS   HA     H   1    4.989     0.014   .   1   .   .   .   A   23   CYS   HA     .   18363   1    
     212   .   1   1   23   23   CYS   HB3    H   1    2.777     0.008   .   2   .   .   .   A   23   CYS   HB3    .   18363   1    
     213   .   1   1   23   23   CYS   CA     C   13   49.940    0.1     .   1   .   .   .   A   23   CYS   CA     .   18363   1    
     214   .   1   1   23   23   CYS   CB     C   13   38.541    0.1     .   1   .   .   .   A   23   CYS   CB     .   18363   1    
     215   .   1   1   23   23   CYS   N      N   15   122.911   0.1     .   1   .   .   .   A   23   CYS   N      .   18363   1    
     216   .   1   1   24   24   PRO   HA     H   1    4.335     0.001   .   1   .   .   .   A   24   PRO   HA     .   18363   1    
     217   .   1   1   24   24   PRO   HB2    H   1    2.226     0.006   .   2   .   .   .   A   24   PRO   HB2    .   18363   1    
     218   .   1   1   24   24   PRO   HG2    H   1    1.945     0.001   .   2   .   .   .   A   24   PRO   HG2    .   18363   1    
     219   .   1   1   24   24   PRO   HG3    H   1    1.996     0.004   .   2   .   .   .   A   24   PRO   HG3    .   18363   1    
     220   .   1   1   24   24   PRO   HD2    H   1    3.511     0.002   .   2   .   .   .   A   24   PRO   HD2    .   18363   1    
     221   .   1   1   24   24   PRO   HD3    H   1    3.664     0.001   .   2   .   .   .   A   24   PRO   HD3    .   18363   1    
     222   .   1   1   24   24   PRO   CA     C   13   61.317    0.1     .   1   .   .   .   A   24   PRO   CA     .   18363   1    
     223   .   1   1   24   24   PRO   CB     C   13   29.138    0.1     .   1   .   .   .   A   24   PRO   CB     .   18363   1    
     224   .   1   1   24   24   PRO   CD     C   13   47.462    0.042   .   1   .   .   .   A   24   PRO   CD     .   18363   1    

   stop_

save_