###################################
     #  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                     21059
   _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-1H NOESY'   1   $sample_1   isotropic   21059   1    
     2   '2D 1H-1H TOCSY'   1   $sample_1   isotropic   21059   1    
     3   '2D DQF-COSY'      1   $sample_1   isotropic   21059   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   2    2    TRP   HA     H   1   4.775    0.004   .   1   .   .   .   .   .   2    TRP   HA     .   21059   1    
     2     .   1   1   2    2    TRP   HB2    H   1   3.292    0.003   .   .   .   .   .   .   .   2    TRP   HB2    .   21059   1    
     3     .   1   1   2    2    TRP   HB3    H   1   3.213    0.005   .   .   .   .   .   .   .   2    TRP   HB3    .   21059   1    
     4     .   1   1   2    2    TRP   HD1    H   1   7.362    0.002   .   1   .   .   .   .   .   2    TRP   HD1    .   21059   1    
     5     .   1   1   2    2    TRP   HE1    H   1   10.666   0.002   .   1   .   .   .   .   .   2    TRP   HE1    .   21059   1    
     6     .   1   1   2    2    TRP   HE3    H   1   7.427    0.004   .   1   .   .   .   .   .   2    TRP   HE3    .   21059   1    
     7     .   1   1   2    2    TRP   HH2    H   1   7.58     0.003   .   1   .   .   .   .   .   2    TRP   HH2    .   21059   1    
     8     .   1   1   2    2    TRP   HZ2    H   1   7.464    0.003   .   1   .   .   .   .   .   2    TRP   HZ2    .   21059   1    
     9     .   1   1   2    2    TRP   HZ3    H   1   6.922    0.030   .   1   .   .   .   .   .   2    TRP   HZ3    .   21059   1    
     10    .   1   1   3    3    LYS   H      H   1   8.974    0.005   .   1   .   .   .   .   .   3    LYS   H      .   21059   1    
     11    .   1   1   3    3    LYS   HA     H   1   4.22     0.005   .   1   .   .   .   .   .   3    LYS   HA     .   21059   1    
     12    .   1   1   3    3    LYS   HB2    H   1   1.859    0.005   .   .   .   .   .   .   .   3    LYS   HB2    .   21059   1    
     13    .   1   1   3    3    LYS   HB3    H   1   1.859    0.005   .   .   .   .   .   .   .   3    LYS   HB3    .   21059   1    
     14    .   1   1   3    3    LYS   HD2    H   1   1.729    0.004   .   .   .   .   .   .   .   3    LYS   HD2    .   21059   1    
     15    .   1   1   3    3    LYS   HD3    H   1   1.729    0.004   .   .   .   .   .   .   .   3    LYS   HD3    .   21059   1    
     16    .   1   1   3    3    LYS   HE2    H   1   2.996    0.000   .   .   .   .   .   .   .   3    LYS   HE2    .   21059   1    
     17    .   1   1   3    3    LYS   HE3    H   1   2.996    0.000   .   .   .   .   .   .   .   3    LYS   HE3    .   21059   1    
     18    .   1   1   3    3    LYS   HG2    H   1   1.443    0.000   .   .   .   .   .   .   .   3    LYS   HG2    .   21059   1    
     19    .   1   1   3    3    LYS   HG3    H   1   1.443    0.000   .   .   .   .   .   .   .   3    LYS   HG3    .   21059   1    
     20    .   1   1   4    4    ILE   H      H   1   8.057    0.002   .   1   .   .   .   .   .   4    ILE   H      .   21059   1    
     21    .   1   1   4    4    ILE   HA     H   1   3.945    0.003   .   1   .   .   .   .   .   4    ILE   HA     .   21059   1    
     22    .   1   1   4    4    ILE   HB     H   1   1.744    0.003   .   1   .   .   .   .   .   4    ILE   HB     .   21059   1    
     23    .   1   1   4    4    ILE   HD11   H   1   0.633    0.003   .   1   .   .   .   .   .   4    ILE   MD     .   21059   1    
     24    .   1   1   4    4    ILE   HD12   H   1   0.633    0.003   .   1   .   .   .   .   .   4    ILE   MD     .   21059   1    
     25    .   1   1   4    4    ILE   HD13   H   1   0.633    0.003   .   1   .   .   .   .   .   4    ILE   MD     .   21059   1    
     26    .   1   1   4    4    ILE   HG12   H   1   1.28     0.004   .   .   .   .   .   .   .   4    ILE   HG12   .   21059   1    
     27    .   1   1   4    4    ILE   HG13   H   1   1.075    0.002   .   .   .   .   .   .   .   4    ILE   HG13   .   21059   1    
     28    .   1   1   4    4    ILE   HG21   H   1   0.796    0.005   .   1   .   .   .   .   .   4    ILE   MG     .   21059   1    
     29    .   1   1   4    4    ILE   HG22   H   1   0.796    0.005   .   1   .   .   .   .   .   4    ILE   MG     .   21059   1    
     30    .   1   1   4    4    ILE   HG23   H   1   0.796    0.005   .   1   .   .   .   .   .   4    ILE   MG     .   21059   1    
     31    .   1   1   5    5    PHE   H      H   1   7.671    0.003   .   1   .   .   .   .   .   5    PHE   H      .   21059   1    
     32    .   1   1   5    5    PHE   HA     H   1   4.403    0.002   .   1   .   .   .   .   .   5    PHE   HA     .   21059   1    
     33    .   1   1   5    5    PHE   HB2    H   1   3.306    0.004   .   .   .   .   .   .   .   5    PHE   HB2    .   21059   1    
     34    .   1   1   5    5    PHE   HB3    H   1   3.144    0.004   .   .   .   .   .   .   .   5    PHE   HB3    .   21059   1    
     35    .   1   1   5    5    PHE   HD1    H   1   7.314    0.004   .   .   .   .   .   .   .   5    PHE   HD1    .   21059   1    
     36    .   1   1   5    5    PHE   HD2    H   1   7.314    0.004   .   .   .   .   .   .   .   5    PHE   HD2    .   21059   1    
     37    .   1   1   5    5    PHE   HE1    H   1   7.244    0.002   .   .   .   .   .   .   .   5    PHE   HE1    .   21059   1    
     38    .   1   1   5    5    PHE   HE2    H   1   7.244    0.002   .   .   .   .   .   .   .   5    PHE   HE2    .   21059   1    
     39    .   1   1   5    5    PHE   HZ     H   1   7.123    0.006   .   1   .   .   .   .   .   5    PHE   HZ     .   21059   1    
     40    .   1   1   6    6    LYS   H      H   1   7.912    0.002   .   1   .   .   .   .   .   6    LYS   H      .   21059   1    
     41    .   1   1   6    6    LYS   HA     H   1   4.144    0.003   .   1   .   .   .   .   .   6    LYS   HA     .   21059   1    
     42    .   1   1   6    6    LYS   HB2    H   1   1.922    0.001   .   .   .   .   .   .   .   6    LYS   HB2    .   21059   1    
     43    .   1   1   6    6    LYS   HB3    H   1   1.922    0.001   .   .   .   .   .   .   .   6    LYS   HB3    .   21059   1    
     44    .   1   1   6    6    LYS   HD2    H   1   1.736    0.001   .   .   .   .   .   .   .   6    LYS   HD2    .   21059   1    
     45    .   1   1   6    6    LYS   HD3    H   1   1.736    0.001   .   .   .   .   .   .   .   6    LYS   HD3    .   21059   1    
     46    .   1   1   6    6    LYS   HE2    H   1   2.945    0.000   .   .   .   .   .   .   .   6    LYS   HE2    .   21059   1    
     47    .   1   1   6    6    LYS   HE3    H   1   2.945    0.000   .   .   .   .   .   .   .   6    LYS   HE3    .   21059   1    
     48    .   1   1   6    6    LYS   HG2    H   1   1.558    0.000   .   .   .   .   .   .   .   6    LYS   HG2    .   21059   1    
     49    .   1   1   6    6    LYS   HG3    H   1   1.558    0.000   .   .   .   .   .   .   .   6    LYS   HG3    .   21059   1    
     50    .   1   1   7    7    LYS   H      H   1   7.796    0.002   .   1   .   .   .   .   .   7    LYS   H      .   21059   1    
     51    .   1   1   7    7    LYS   HA     H   1   4.29     0.003   .   1   .   .   .   .   .   7    LYS   HA     .   21059   1    
     52    .   1   1   7    7    LYS   HB2    H   1   1.821    0.003   .   .   .   .   .   .   .   7    LYS   HB2    .   21059   1    
     53    .   1   1   7    7    LYS   HB3    H   1   1.821    0.003   .   .   .   .   .   .   .   7    LYS   HB3    .   21059   1    
     54    .   1   1   7    7    LYS   HD2    H   1   1.661    0.001   .   .   .   .   .   .   .   7    LYS   HD2    .   21059   1    
     55    .   1   1   7    7    LYS   HD3    H   1   1.661    0.001   .   .   .   .   .   .   .   7    LYS   HD3    .   21059   1    
     56    .   1   1   7    7    LYS   HE2    H   1   2.933    0.000   .   .   .   .   .   .   .   7    LYS   HE2    .   21059   1    
     57    .   1   1   7    7    LYS   HE3    H   1   2.933    0.000   .   .   .   .   .   .   .   7    LYS   HE3    .   21059   1    
     58    .   1   1   7    7    LYS   HG2    H   1   1.51     0.000   .   .   .   .   .   .   .   7    LYS   HG2    .   21059   1    
     59    .   1   1   7    7    LYS   HG3    H   1   1.51     0.000   .   .   .   .   .   .   .   7    LYS   HG3    .   21059   1    
     60    .   1   1   8    8    ILE   H      H   1   7.6      0.001   .   1   .   .   .   .   .   8    ILE   H      .   21059   1    
     61    .   1   1   8    8    ILE   HA     H   1   4.272    0.003   .   1   .   .   .   .   .   8    ILE   HA     .   21059   1    
     62    .   1   1   8    8    ILE   HB     H   1   2.031    0.004   .   1   .   .   .   .   .   8    ILE   HB     .   21059   1    
     63    .   1   1   8    8    ILE   HD11   H   1   0.89     0.002   .   1   .   .   .   .   .   8    ILE   MD     .   21059   1    
     64    .   1   1   8    8    ILE   HD12   H   1   0.89     0.002   .   1   .   .   .   .   .   8    ILE   MD     .   21059   1    
     65    .   1   1   8    8    ILE   HD13   H   1   0.89     0.002   .   1   .   .   .   .   .   8    ILE   MD     .   21059   1    
     66    .   1   1   8    8    ILE   HG12   H   1   1.818    0.001   .   .   .   .   .   .   .   8    ILE   HG12   .   21059   1    
     67    .   1   1   8    8    ILE   HG13   H   1   1.173    0.002   .   .   .   .   .   .   .   8    ILE   HG13   .   21059   1    
     68    .   1   1   8    8    ILE   HG21   H   1   0.972    0.001   .   1   .   .   .   .   .   8    ILE   MG     .   21059   1    
     69    .   1   1   8    8    ILE   HG22   H   1   0.972    0.001   .   1   .   .   .   .   .   8    ILE   MG     .   21059   1    
     70    .   1   1   8    8    ILE   HG23   H   1   0.972    0.001   .   1   .   .   .   .   .   8    ILE   MG     .   21059   1    
     71    .   1   1   9    9    UVR   HA2    H   1   3.775    0.007   .   1   .   .   .   .   .   9    X     HA2    .   21059   1    
     72    .   1   1   9    9    UVR   HA3    H   1   3.775    0.007   .   1   .   .   .   .   .   9    X     HA3    .   21059   1    
     73    .   1   1   9    9    UVR   HB2    H   1   1.815    0.001   .   .   .   .   .   .   .   9    X     HB2    .   21059   1    
     74    .   1   1   9    9    UVR   HB3    H   1   1.815    0.001   .   .   .   .   .   .   .   9    X     HB3    .   21059   1    
     75    .   1   1   9    9    UVR   HG2    H   1   1.527    0.001   .   .   .   .   .   .   .   9    X     HG2    .   21059   1    
     76    .   1   1   9    9    UVR   HG3    H   1   1.527    0.001   .   .   .   .   .   .   .   9    X     HG3    .   21059   1    
     77    .   1   1   9    9    UVR   HD2    H   1   1.681    0.002   .   .   .   .   .   .   .   9    X     HD2    .   21059   1    
     78    .   1   1   9    9    UVR   HD3    H   1   1.681    0.002   .   .   .   .   .   .   .   9    X     HD3    .   21059   1    
     79    .   1   1   9    9    UVR   HE2    H   1   2.965    0.000   .   .   .   .   .   .   .   9    X     HE2    .   21059   1    
     80    .   1   1   9    9    UVR   HE3    H   1   2.965    0.000   .   .   .   .   .   .   .   9    X     HE3    .   21059   1    
     81    .   1   1   10   10   LYS   H      H   1   7.601    0.002   .   1   .   .   .   .   .   10   LYS   H      .   21059   1    
     82    .   1   1   10   10   LYS   HA     H   1   4.147    0.001   .   1   .   .   .   .   .   10   LYS   HA     .   21059   1    
     83    .   1   1   10   10   LYS   HB2    H   1   1.819    0.003   .   .   .   .   .   .   .   10   LYS   HB2    .   21059   1    
     84    .   1   1   10   10   LYS   HB3    H   1   1.819    0.003   .   .   .   .   .   .   .   10   LYS   HB3    .   21059   1    
     85    .   1   1   10   10   LYS   HD2    H   1   1.518    0.000   .   .   .   .   .   .   .   10   LYS   HD2    .   21059   1    
     86    .   1   1   10   10   LYS   HD3    H   1   1.518    0.000   .   .   .   .   .   .   .   10   LYS   HD3    .   21059   1    
     87    .   1   1   10   10   LYS   HE2    H   1   2.941    0.000   .   .   .   .   .   .   .   10   LYS   HE2    .   21059   1    
     88    .   1   1   10   10   LYS   HE3    H   1   2.941    0.000   .   .   .   .   .   .   .   10   LYS   HE3    .   21059   1    
     89    .   1   1   10   10   LYS   HG2    H   1   1.46     0.003   .   .   .   .   .   .   .   10   LYS   HG2    .   21059   1    
     90    .   1   1   10   10   LYS   HG3    H   1   1.46     0.003   .   .   .   .   .   .   .   10   LYS   HG3    .   21059   1    
     91    .   1   1   11   11   PHE   H      H   1   8.206    0.002   .   1   .   .   .   .   .   11   PHE   H      .   21059   1    
     92    .   1   1   11   11   PHE   HA     H   1   4.508    0.001   .   1   .   .   .   .   .   11   PHE   HA     .   21059   1    
     93    .   1   1   11   11   PHE   HB2    H   1   3.151    0.003   .   .   .   .   .   .   .   11   PHE   HB2    .   21059   1    
     94    .   1   1   11   11   PHE   HB3    H   1   3.151    0.003   .   .   .   .   .   .   .   11   PHE   HB3    .   21059   1    
     95    .   1   1   11   11   PHE   HD1    H   1   7.216    0.002   .   .   .   .   .   .   .   11   PHE   HD1    .   21059   1    
     96    .   1   1   11   11   PHE   HD2    H   1   7.216    0.002   .   .   .   .   .   .   .   11   PHE   HD2    .   21059   1    
     97    .   1   1   11   11   PHE   HE1    H   1   7.172    0.003   .   .   .   .   .   .   .   11   PHE   HE1    .   21059   1    
     98    .   1   1   11   11   PHE   HE2    H   1   7.172    0.003   .   .   .   .   .   .   .   11   PHE   HE2    .   21059   1    
     99    .   1   1   12   12   LEU   H      H   1   8.202    0.001   .   1   .   .   .   .   .   12   LEU   H      .   21059   1    
     100   .   1   1   12   12   LEU   HA     H   1   4.044    0.003   .   1   .   .   .   .   .   12   LEU   HA     .   21059   1    
     101   .   1   1   12   12   LEU   HB2    H   1   1.676    0.009   .   .   .   .   .   .   .   12   LEU   HB2    .   21059   1    
     102   .   1   1   12   12   LEU   HB3    H   1   1.676    0.009   .   .   .   .   .   .   .   12   LEU   HB3    .   21059   1    
     103   .   1   1   12   12   LEU   HD11   H   1   0.878    0.006   .   .   .   .   .   .   .   12   LEU   MD1    .   21059   1    
     104   .   1   1   12   12   LEU   HD12   H   1   0.878    0.006   .   .   .   .   .   .   .   12   LEU   MD1    .   21059   1    
     105   .   1   1   12   12   LEU   HD13   H   1   0.878    0.006   .   .   .   .   .   .   .   12   LEU   MD1    .   21059   1    
     106   .   1   1   12   12   LEU   HD21   H   1   0.848    0.004   .   .   .   .   .   .   .   12   LEU   MD2    .   21059   1    
     107   .   1   1   12   12   LEU   HD22   H   1   0.848    0.004   .   .   .   .   .   .   .   12   LEU   MD2    .   21059   1    
     108   .   1   1   12   12   LEU   HD23   H   1   0.848    0.004   .   .   .   .   .   .   .   12   LEU   MD2    .   21059   1    
     109   .   1   1   12   12   LEU   HG     H   1   1.502    0.002   .   1   .   .   .   .   .   12   LEU   HG     .   21059   1    
     110   .   1   1   13   13   HIS   H      H   1   8.108    0.004   .   1   .   .   .   .   .   13   HIS   H      .   21059   1    
     111   .   1   1   13   13   HIS   HA     H   1   4.402    0.002   .   1   .   .   .   .   .   13   HIS   HA     .   21059   1    
     112   .   1   1   13   13   HIS   HB2    H   1   3.244    0.001   .   .   .   .   .   .   .   13   HIS   HB2    .   21059   1    
     113   .   1   1   13   13   HIS   HB3    H   1   3.188    0.001   .   .   .   .   .   .   .   13   HIS   HB3    .   21059   1    
     114   .   1   1   13   13   HIS   HD2    H   1   7.13     0.002   .   1   .   .   .   .   .   13   HIS   HD2    .   21059   1    
     115   .   1   1   14   14   SER   H      H   1   8.006    0.002   .   1   .   .   .   .   .   14   SER   H      .   21059   1    
     116   .   1   1   14   14   SER   HA     H   1   4.298    0.002   .   1   .   .   .   .   .   14   SER   HA     .   21059   1    
     117   .   1   1   14   14   SER   HB2    H   1   3.931    0.002   .   .   .   .   .   .   .   14   SER   HB2    .   21059   1    
     118   .   1   1   14   14   SER   HB3    H   1   3.869    0.001   .   .   .   .   .   .   .   14   SER   HB3    .   21059   1    
     119   .   1   1   15   15   ALA   H      H   1   8.162    0.005   .   1   .   .   .   .   .   15   ALA   H      .   21059   1    
     120   .   1   1   15   15   ALA   HA     H   1   4.116    0.001   .   1   .   .   .   .   .   15   ALA   HA     .   21059   1    
     121   .   1   1   15   15   ALA   HB1    H   1   1.341    0.003   .   1   .   .   .   .   .   15   ALA   MB     .   21059   1    
     122   .   1   1   15   15   ALA   HB2    H   1   1.341    0.003   .   1   .   .   .   .   .   15   ALA   MB     .   21059   1    
     123   .   1   1   15   15   ALA   HB3    H   1   1.341    0.003   .   1   .   .   .   .   .   15   ALA   MB     .   21059   1    
     124   .   1   1   16   16   LYS   H      H   1   7.879    0.002   .   1   .   .   .   .   .   16   LYS   H      .   21059   1    
     125   .   1   1   16   16   LYS   HA     H   1   4.052    0.002   .   1   .   .   .   .   .   16   LYS   HA     .   21059   1    
     126   .   1   1   16   16   LYS   HB2    H   1   1.792    0.000   .   .   .   .   .   .   .   16   LYS   HB2    .   21059   1    
     127   .   1   1   16   16   LYS   HB3    H   1   1.792    0.000   .   .   .   .   .   .   .   16   LYS   HB3    .   21059   1    
     128   .   1   1   16   16   LYS   HD2    H   1   1.464    0.000   .   .   .   .   .   .   .   16   LYS   HD2    .   21059   1    
     129   .   1   1   16   16   LYS   HD3    H   1   1.464    0.000   .   .   .   .   .   .   .   16   LYS   HD3    .   21059   1    
     130   .   1   1   16   16   LYS   HE2    H   1   2.867    0.003   .   .   .   .   .   .   .   16   LYS   HE2    .   21059   1    
     131   .   1   1   16   16   LYS   HE3    H   1   2.867    0.003   .   .   .   .   .   .   .   16   LYS   HE3    .   21059   1    
     132   .   1   1   16   16   LYS   HG2    H   1   1.657    0.002   .   .   .   .   .   .   .   16   LYS   HG2    .   21059   1    
     133   .   1   1   16   16   LYS   HG3    H   1   1.657    0.002   .   .   .   .   .   .   .   16   LYS   HG3    .   21059   1    
     134   .   1   1   17   17   LYS   H      H   1   7.766    0.001   .   1   .   .   .   .   .   17   LYS   H      .   21059   1    
     135   .   1   1   17   17   LYS   HA     H   1   4.113    0.002   .   1   .   .   .   .   .   17   LYS   HA     .   21059   1    
     136   .   1   1   17   17   LYS   HB2    H   1   1.655    0.002   .   .   .   .   .   .   .   17   LYS   HB2    .   21059   1    
     137   .   1   1   17   17   LYS   HB3    H   1   1.655    0.002   .   .   .   .   .   .   .   17   LYS   HB3    .   21059   1    
     138   .   1   1   17   17   LYS   HD2    H   1   1.224    0.008   .   .   .   .   .   .   .   17   LYS   HD2    .   21059   1    
     139   .   1   1   17   17   LYS   HD3    H   1   1.224    0.008   .   .   .   .   .   .   .   17   LYS   HD3    .   21059   1    
     140   .   1   1   17   17   LYS   HE2    H   1   2.937    0.000   .   .   .   .   .   .   .   17   LYS   HE2    .   21059   1    
     141   .   1   1   17   17   LYS   HE3    H   1   2.937    0.000   .   .   .   .   .   .   .   17   LYS   HE3    .   21059   1    
     142   .   1   1   17   17   LYS   HG2    H   1   1.343    0.005   .   .   .   .   .   .   .   17   LYS   HG2    .   21059   1    
     143   .   1   1   17   17   LYS   HG3    H   1   1.343    0.005   .   .   .   .   .   .   .   17   LYS   HG3    .   21059   1    
     144   .   1   1   18   18   PHE   H      H   1   7.868    0.002   .   1   .   .   .   .   .   18   PHE   H      .   21059   1    
     145   .   1   1   18   18   PHE   HA     H   1   4.457    0.001   .   1   .   .   .   .   .   18   PHE   HA     .   21059   1    
     146   .   1   1   18   18   PHE   HB2    H   1   3.204    0.003   .   .   .   .   .   .   .   18   PHE   HB2    .   21059   1    
     147   .   1   1   18   18   PHE   HB3    H   1   3.01     0.003   .   .   .   .   .   .   .   18   PHE   HB3    .   21059   1    
     148   .   1   1   18   18   PHE   HD1    H   1   7.295    0.005   .   .   .   .   .   .   .   18   PHE   HD1    .   21059   1    
     149   .   1   1   18   18   PHE   HD2    H   1   7.295    0.005   .   .   .   .   .   .   .   18   PHE   HD2    .   21059   1    
     150   .   1   1   18   18   PHE   HE1    H   1   7.045    0.001   .   .   .   .   .   .   .   18   PHE   HE1    .   21059   1    
     151   .   1   1   18   18   PHE   HE2    H   1   7.045    0.001   .   .   .   .   .   .   .   18   PHE   HE2    .   21059   1    

   stop_

save_