###################################
     #  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_csr_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 csr_1
   _Assigned_chem_shift_list.Entry_ID                     6437
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions
   _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   $sample_1   .   6437   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    PHE   HA     H   1   4.14    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     2     .   1   1   1    1    PHE   HB2    H   1   2.92    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     3     .   1   1   1    1    PHE   HB3    H   1   2.92    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     4     .   1   1   1    1    PHE   HD1    H   1   7.04    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     5     .   1   1   1    1    PHE   HD2    H   1   7.04    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     6     .   1   1   1    1    PHE   HE1    H   1   7.20    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     7     .   1   1   1    1    PHE   HE2    H   1   7.20    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     8     .   1   1   1    1    PHE   HZ     H   1   7.20    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     9     .   1   1   2    2    GLN   H      H   1   8.43    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     10    .   1   1   2    2    GLN   HA     H   1   4.30    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     11    .   1   1   2    2    GLN   HB2    H   1   1.92    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     12    .   1   1   2    2    GLN   HB3    H   1   1.83    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     13    .   1   1   2    2    GLN   HG2    H   1   2.21    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     14    .   1   1   2    2    GLN   HG3    H   1   2.21    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     15    .   1   1   2    2    GLN   HE21   H   1   6.82    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     16    .   1   1   2    2    GLN   HE22   H   1   7.45    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     17    .   1   1   3    3    TRP   H      H   1   8.14    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     18    .   1   1   3    3    TRP   HA     H   1   4.55    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     19    .   1   1   3    3    TRP   HB2    H   1   3.25    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     20    .   1   1   3    3    TRP   HB3    H   1   3.25    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     21    .   1   1   3    3    TRP   HD1    H   1   7.29    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     22    .   1   1   3    3    TRP   HE1    H   1   10.13   0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     23    .   1   1   3    3    TRP   HE3    H   1   7.61    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     24    .   1   1   3    3    TRP   HZ2    H   1   7.40    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     25    .   1   1   3    3    TRP   HZ3    H   1   7.14    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     26    .   1   1   3    3    TRP   HH2    H   1   7.17    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     27    .   1   1   4    4    GLN   H      H   1   8.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     28    .   1   1   4    4    GLN   HA     H   1   4.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     29    .   1   1   4    4    GLN   HB2    H   1   1.95    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     30    .   1   1   4    4    GLN   HB3    H   1   1.83    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     31    .   1   1   4    4    GLN   HG2    H   1   2.19    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     32    .   1   1   4    4    GLN   HG3    H   1   2.05    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     33    .   1   1   4    4    GLN   HE21   H   1   7.42    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     34    .   1   1   4    4    GLN   HE22   H   1   6.81    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     35    .   1   1   5    5    ARG   H      H   1   8.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     36    .   1   1   5    5    ARG   HA     H   1   4.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     37    .   1   1   5    5    ARG   HB2    H   1   1.76    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     38    .   1   1   5    5    ARG   HB3    H   1   1.69    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     39    .   1   1   5    5    ARG   HG2    H   1   1.57    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     40    .   1   1   5    5    ARG   HG3    H   1   1.52    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     41    .   1   1   5    5    ARG   HD2    H   1   3.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     42    .   1   1   5    5    ARG   HD3    H   1   3.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     43    .   1   1   5    5    ARG   HE     H   1   7.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     44    .   1   1   6    6    ASN   H      H   1   8.43    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     45    .   1   1   6    6    ASN   HA     H   1   4.67    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     46    .   1   1   6    6    ASN   HB2    H   1   2.80    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     47    .   1   1   6    6    ASN   HB3    H   1   2.70    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     48    .   1   1   6    6    ASN   HD21   H   1   7.57    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     49    .   1   1   6    6    ASN   HD22   H   1   6.87    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     50    .   1   1   7    7    ILE   H      H   1   8.03    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     51    .   1   1   7    7    ILE   HA     H   1   4.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     52    .   1   1   7    7    ILE   HB     H   1   1.84    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     53    .   1   1   7    7    ILE   HG12   H   1   1.39    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     54    .   1   1   7    7    ILE   HG13   H   1   1.13    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     55    .   1   1   7    7    ILE   HG21   H   1   0.86    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     56    .   1   1   7    7    ILE   HG22   H   1   0.86    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     57    .   1   1   7    7    ILE   HG23   H   1   0.86    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     58    .   1   1   7    7    ILE   HD11   H   1   0.82    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     59    .   1   1   7    7    ILE   HD12   H   1   0.82    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     60    .   1   1   7    7    ILE   HD13   H   1   0.82    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     61    .   1   1   8    8    ARG   H      H   1   8.32    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     62    .   1   1   8    8    ARG   HA     H   1   4.29    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     63    .   1   1   8    8    ARG   HB2    H   1   1.78    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     64    .   1   1   8    8    ARG   HB3    H   1   1.71    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     65    .   1   1   8    8    ARG   HG2    H   1   1.61    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     66    .   1   1   8    8    ARG   HG3    H   1   1.53    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     67    .   1   1   8    8    ARG   HD2    H   1   3.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     68    .   1   1   8    8    ARG   HD3    H   1   3.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     69    .   1   1   8    8    ARG   HE     H   1   7.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     70    .   1   1   9    9    LYS   H      H   1   8.32    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     71    .   1   1   9    9    LYS   HA     H   1   4.29    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     72    .   1   1   9    9    LYS   HB2    H   1   1.78    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     73    .   1   1   9    9    LYS   HB3    H   1   1.66    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     74    .   1   1   9    9    LYS   HG2    H   1   1.40    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     75    .   1   1   9    9    LYS   HG3    H   1   1.34    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     76    .   1   1   9    9    LYS   HD2    H   1   1.64    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     77    .   1   1   9    9    LYS   HD3    H   1   1.64    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     78    .   1   1   9    9    LYS   HE2    H   1   2.95    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     79    .   1   1   9    9    LYS   HE3    H   1   2.95    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     80    .   1   1   9    9    LYS   HZ1    H   1   7.50    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     81    .   1   1   9    9    LYS   HZ2    H   1   7.50    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     82    .   1   1   9    9    LYS   HZ3    H   1   7.50    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     83    .   1   1   10   10   VAL   H      H   1   8.18    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     84    .   1   1   10   10   VAL   HA     H   1   4.09    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     85    .   1   1   10   10   VAL   HB     H   1   2.05    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     86    .   1   1   10   10   VAL   HG11   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     87    .   1   1   10   10   VAL   HG12   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     88    .   1   1   10   10   VAL   HG13   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     89    .   1   1   10   10   VAL   HG21   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     90    .   1   1   10   10   VAL   HG22   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     91    .   1   1   10   10   VAL   HG23   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     92    .   1   1   11   11   ARG   H      H   1   8.41    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     93    .   1   1   11   11   ARG   HA     H   1   4.25    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     94    .   1   1   11   11   ARG   HB2    H   1   1.82    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     95    .   1   1   11   11   ARG   HB3    H   1   1.75    0.01   .   2   .   .   .   .   .   .   .   .   6437   1    
     96    .   1   1   11   11   ARG   HG2    H   1   1.61    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     97    .   1   1   11   11   ARG   HG3    H   1   1.61    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     98    .   1   1   11   11   ARG   HD2    H   1   3.17    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     99    .   1   1   11   11   ARG   HD3    H   1   3.17    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    
     100   .   1   1   11   11   ARG   HE     H   1   7.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   1    

   stop_

save_

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

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

save_csr_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 csr_2
   _Assigned_chem_shift_list.Entry_ID                     6437
   _Assigned_chem_shift_list.ID                           2
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions
   _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

     .   .   2   $sample_2   .   6437   2    

   stop_

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

     1     .   1   1   1    1    PHE   HA     H   1   4.14    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     2     .   1   1   1    1    PHE   HB2    H   1   2.92    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     3     .   1   1   1    1    PHE   HB3    H   1   2.92    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     4     .   1   1   1    1    PHE   HD1    H   1   7.04    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     5     .   1   1   1    1    PHE   HD2    H   1   7.04    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     6     .   1   1   1    1    PHE   HE1    H   1   7.20    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     7     .   1   1   1    1    PHE   HE2    H   1   7.20    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     8     .   1   1   1    1    PHE   HZ     H   1   7.20    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     9     .   1   1   2    2    GLN   H      H   1   8.43    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     10    .   1   1   2    2    GLN   HA     H   1   4.30    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     11    .   1   1   2    2    GLN   HB2    H   1   1.92    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     12    .   1   1   2    2    GLN   HB3    H   1   1.83    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     13    .   1   1   2    2    GLN   HG2    H   1   2.21    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     14    .   1   1   2    2    GLN   HG3    H   1   2.21    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     15    .   1   1   2    2    GLN   HE21   H   1   6.82    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     16    .   1   1   2    2    GLN   HE22   H   1   7.45    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     17    .   1   1   3    3    TRP   H      H   1   8.14    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     18    .   1   1   3    3    TRP   HA     H   1   4.55    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     19    .   1   1   3    3    TRP   HB2    H   1   3.25    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     20    .   1   1   3    3    TRP   HB3    H   1   3.25    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     21    .   1   1   3    3    TRP   HD1    H   1   7.29    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     22    .   1   1   3    3    TRP   HE1    H   1   10.13   0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     23    .   1   1   3    3    TRP   HE3    H   1   7.61    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     24    .   1   1   3    3    TRP   HZ2    H   1   7.40    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     25    .   1   1   3    3    TRP   HZ3    H   1   7.14    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     26    .   1   1   3    3    TRP   HH2    H   1   7.17    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     27    .   1   1   4    4    GLN   H      H   1   8.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     28    .   1   1   4    4    GLN   HA     H   1   4.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     29    .   1   1   4    4    GLN   HB2    H   1   1.95    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     30    .   1   1   4    4    GLN   HB3    H   1   1.83    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     31    .   1   1   4    4    GLN   HG2    H   1   2.19    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     32    .   1   1   4    4    GLN   HG3    H   1   2.05    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     33    .   1   1   4    4    GLN   HE21   H   1   7.42    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     34    .   1   1   4    4    GLN   HE22   H   1   6.81    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     35    .   1   1   5    5    ARG   H      H   1   8.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     36    .   1   1   5    5    ARG   HA     H   1   4.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     37    .   1   1   5    5    ARG   HB2    H   1   1.76    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     38    .   1   1   5    5    ARG   HB3    H   1   1.69    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     39    .   1   1   5    5    ARG   HG2    H   1   1.57    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     40    .   1   1   5    5    ARG   HG3    H   1   1.52    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     41    .   1   1   5    5    ARG   HD2    H   1   3.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     42    .   1   1   5    5    ARG   HD3    H   1   3.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     43    .   1   1   5    5    ARG   HE     H   1   7.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     44    .   1   1   6    6    ASN   H      H   1   8.43    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     45    .   1   1   6    6    ASN   HA     H   1   4.67    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     46    .   1   1   6    6    ASN   HB2    H   1   2.80    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     47    .   1   1   6    6    ASN   HB3    H   1   2.70    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     48    .   1   1   6    6    ASN   HD21   H   1   7.57    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     49    .   1   1   6    6    ASN   HD22   H   1   6.87    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     50    .   1   1   7    7    ILE   H      H   1   8.03    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     51    .   1   1   7    7    ILE   HA     H   1   4.13    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     52    .   1   1   7    7    ILE   HB     H   1   1.84    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     53    .   1   1   7    7    ILE   HG12   H   1   1.39    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     54    .   1   1   7    7    ILE   HG13   H   1   1.13    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     55    .   1   1   7    7    ILE   HG21   H   1   0.86    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     56    .   1   1   7    7    ILE   HG22   H   1   0.86    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     57    .   1   1   7    7    ILE   HG23   H   1   0.86    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     58    .   1   1   7    7    ILE   HD11   H   1   0.82    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     59    .   1   1   7    7    ILE   HD12   H   1   0.82    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     60    .   1   1   7    7    ILE   HD13   H   1   0.82    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     61    .   1   1   8    8    ARG   H      H   1   8.32    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     62    .   1   1   8    8    ARG   HA     H   1   4.29    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     63    .   1   1   8    8    ARG   HB2    H   1   1.78    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     64    .   1   1   8    8    ARG   HB3    H   1   1.71    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     65    .   1   1   8    8    ARG   HG2    H   1   1.61    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     66    .   1   1   8    8    ARG   HG3    H   1   1.53    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     67    .   1   1   8    8    ARG   HD2    H   1   3.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     68    .   1   1   8    8    ARG   HD3    H   1   3.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     69    .   1   1   8    8    ARG   HE     H   1   7.15    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     70    .   1   1   9    9    LYS   H      H   1   8.32    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     71    .   1   1   9    9    LYS   HA     H   1   4.29    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     72    .   1   1   9    9    LYS   HB2    H   1   1.78    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     73    .   1   1   9    9    LYS   HB3    H   1   1.66    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     74    .   1   1   9    9    LYS   HG2    H   1   1.40    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     75    .   1   1   9    9    LYS   HG3    H   1   1.34    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     76    .   1   1   9    9    LYS   HD2    H   1   1.64    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     77    .   1   1   9    9    LYS   HD3    H   1   1.64    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     78    .   1   1   9    9    LYS   HE2    H   1   2.95    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     79    .   1   1   9    9    LYS   HE3    H   1   2.95    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     80    .   1   1   9    9    LYS   HZ1    H   1   7.50    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     81    .   1   1   9    9    LYS   HZ2    H   1   7.50    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     82    .   1   1   9    9    LYS   HZ3    H   1   7.50    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     83    .   1   1   10   10   VAL   H      H   1   8.18    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     84    .   1   1   10   10   VAL   HA     H   1   4.09    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     85    .   1   1   10   10   VAL   HB     H   1   2.05    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     86    .   1   1   10   10   VAL   HG11   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     87    .   1   1   10   10   VAL   HG12   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     88    .   1   1   10   10   VAL   HG13   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     89    .   1   1   10   10   VAL   HG21   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     90    .   1   1   10   10   VAL   HG22   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     91    .   1   1   10   10   VAL   HG23   H   1   0.90    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     92    .   1   1   11   11   ARG   H      H   1   8.41    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     93    .   1   1   11   11   ARG   HA     H   1   4.25    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     94    .   1   1   11   11   ARG   HB2    H   1   1.82    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     95    .   1   1   11   11   ARG   HB3    H   1   1.75    0.01   .   2   .   .   .   .   .   .   .   .   6437   2    
     96    .   1   1   11   11   ARG   HG2    H   1   1.61    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     97    .   1   1   11   11   ARG   HG3    H   1   1.61    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     98    .   1   1   11   11   ARG   HD2    H   1   3.17    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     99    .   1   1   11   11   ARG   HD3    H   1   3.17    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    
     100   .   1   1   11   11   ARG   HE     H   1   7.19    0.01   .   1   .   .   .   .   .   .   .   .   6437   2    

   stop_

save_

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

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

save_csr_3
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 csr_3
   _Assigned_chem_shift_list.Entry_ID                     6437
   _Assigned_chem_shift_list.ID                           3
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions
   _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

     .   .   3   $sample_3   .   6437   3    

   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    PHE   HA     H   1   4.26   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     2    .   1   1   1    1    PHE   HB2    H   1   3.09   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     3    .   1   1   1    1    PHE   HB3    H   1   2.95   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     4    .   1   1   1    1    PHE   HD1    H   1   7.14   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     5    .   1   1   1    1    PHE   HD2    H   1   7.14   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     6    .   1   1   1    1    PHE   HE1    H   1   7.21   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     7    .   1   1   1    1    PHE   HE2    H   1   7.21   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     8    .   1   1   2    2    GLN   H      H   1   8.03   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     9    .   1   1   2    2    GLN   HA     H   1   4.45   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     10   .   1   1   2    2    GLN   HB2    H   1   1.98   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     11   .   1   1   2    2    GLN   HB3    H   1   1.89   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     12   .   1   1   2    2    GLN   HG2    H   1   2.25   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     13   .   1   1   2    2    GLN   HG3    H   1   2.25   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     14   .   1   1   2    2    GLN   HE21   H   1   6.78   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     15   .   1   1   2    2    GLN   HE22   H   1   7.46   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     16   .   1   1   3    3    TRP   H      H   1   8.03   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     17   .   1   1   3    3    TRP   HA     H   1   4.73   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     18   .   1   1   3    3    TRP   HB2    H   1   3.23   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     19   .   1   1   3    3    TRP   HB3    H   1   3.40   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     20   .   1   1   3    3    TRP   HD1    H   1   7.40   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     21   .   1   1   3    3    TRP   HE1    H   1   9.93   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     22   .   1   1   3    3    TRP   HE3    H   1   7.69   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     23   .   1   1   3    3    TRP   HZ2    H   1   7.58   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     24   .   1   1   3    3    TRP   HZ3    H   1   7.04   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     25   .   1   1   3    3    TRP   HH2    H   1   7.40   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     26   .   1   1   4    4    GLN   H      H   1   8.32   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     27   .   1   1   4    4    GLN   HA     H   1   4.31   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     28   .   1   1   4    4    GLN   HB2    H   1   2.12   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     29   .   1   1   4    4    GLN   HB3    H   1   1.92   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     30   .   1   1   4    4    GLN   HG2    H   1   2.26   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     31   .   1   1   4    4    GLN   HG3    H   1   2.26   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     32   .   1   1   4    4    GLN   HE21   H   1   6.76   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     33   .   1   1   4    4    GLN   HE22   H   1   7.41   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     34   .   1   1   5    5    ARG   H      H   1   7.18   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     35   .   1   1   5    5    ARG   HA     H   1   4.11   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     36   .   1   1   5    5    ARG   HB2    H   1   1.71   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     37   .   1   1   5    5    ARG   HB3    H   1   1.50   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     38   .   1   1   5    5    ARG   HG2    H   1   1.30   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     39   .   1   1   5    5    ARG   HG3    H   1   1.30   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     40   .   1   1   5    5    ARG   HD2    H   1   2.97   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     41   .   1   1   5    5    ARG   HD3    H   1   2.97   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     42   .   1   1   5    5    ARG   HE     H   1   6.93   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     43   .   1   1   6    6    ASN   H      H   1   8.21   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     44   .   1   1   6    6    ASN   HA     H   1   4.80   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     45   .   1   1   6    6    ASN   HB2    H   1   2.83   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     46   .   1   1   6    6    ASN   HB3    H   1   2.71   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     47   .   1   1   6    6    ASN   HD21   H   1   6.78   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     48   .   1   1   6    6    ASN   HD22   H   1   7.46   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     49   .   1   1   7    7    ILE   H      H   1   8.05   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     50   .   1   1   7    7    ILE   HA     H   1   4.03   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     51   .   1   1   7    7    ILE   HB     H   1   2.03   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     52   .   1   1   7    7    ILE   HG12   H   1   1.65   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     53   .   1   1   7    7    ILE   HG13   H   1   1.31   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     54   .   1   1   7    7    ILE   HG21   H   1   0.98   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     55   .   1   1   7    7    ILE   HG22   H   1   0.98   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     56   .   1   1   7    7    ILE   HG23   H   1   0.98   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     57   .   1   1   7    7    ILE   HD11   H   1   0.97   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     58   .   1   1   7    7    ILE   HD12   H   1   0.97   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     59   .   1   1   7    7    ILE   HD13   H   1   0.97   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     60   .   1   1   8    8    ARG   H      H   1   7.95   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     61   .   1   1   8    8    ARG   HA     H   1   4.22   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     62   .   1   1   8    8    ARG   HB2    H   1   1.82   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     63   .   1   1   8    8    ARG   HB3    H   1   1.92   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     64   .   1   1   8    8    ARG   HG2    H   1   1.70   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     65   .   1   1   8    8    ARG   HG3    H   1   1.70   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     66   .   1   1   8    8    ARG   HD2    H   1   3.23   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     67   .   1   1   8    8    ARG   HD3    H   1   3.23   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     68   .   1   1   8    8    ARG   HE     H   1   7.12   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     69   .   1   1   9    9    LYS   H      H   1   7.82   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     70   .   1   1   9    9    LYS   HA     H   1   4.30   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     71   .   1   1   9    9    LYS   HB2    H   1   1.83   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     72   .   1   1   9    9    LYS   HB3    H   1   1.92   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     73   .   1   1   9    9    LYS   HG2    H   1   1.49   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     74   .   1   1   9    9    LYS   HG3    H   1   1.49   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     75   .   1   1   9    9    LYS   HD2    H   1   1.72   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     76   .   1   1   9    9    LYS   HD3    H   1   1.72   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     77   .   1   1   9    9    LYS   HE2    H   1   3.04   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     78   .   1   1   9    9    LYS   HE3    H   1   3.04   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     79   .   1   1   9    9    LYS   HZ1    H   1   7.44   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     80   .   1   1   9    9    LYS   HZ2    H   1   7.44   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     81   .   1   1   9    9    LYS   HZ3    H   1   7.44   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     82   .   1   1   10   10   VAL   H      H   1   7.87   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     83   .   1   1   10   10   VAL   HA     H   1   4.02   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     84   .   1   1   10   10   VAL   HB     H   1   2.22   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     85   .   1   1   10   10   VAL   HG11   H   1   1.04   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     86   .   1   1   10   10   VAL   HG12   H   1   1.04   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     87   .   1   1   10   10   VAL   HG13   H   1   1.04   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     88   .   1   1   10   10   VAL   HG21   H   1   1.00   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     89   .   1   1   10   10   VAL   HG22   H   1   1.00   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     90   .   1   1   10   10   VAL   HG23   H   1   1.00   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     91   .   1   1   11   11   ARG   H      H   1   7.91   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     92   .   1   1   11   11   ARG   HA     H   1   4.32   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     93   .   1   1   11   11   ARG   HB2    H   1   1.82   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     94   .   1   1   11   11   ARG   HB3    H   1   1.94   0.01   .   2   .   .   .   .   .   .   .   .   6437   3    
     95   .   1   1   11   11   ARG   HG2    H   1   1.72   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     96   .   1   1   11   11   ARG   HG3    H   1   1.72   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     97   .   1   1   11   11   ARG   HD2    H   1   3.23   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     98   .   1   1   11   11   ARG   HD3    H   1   3.23   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    
     99   .   1   1   11   11   ARG   HE     H   1   7.16   0.01   .   1   .   .   .   .   .   .   .   .   6437   3    

   stop_

save_