###################################
     #  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_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                     7153
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
   _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   unknown   1   $sample_1   isotropic   7153   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    LYS   HA     H   1   4.00   .   .   .   .   .   .   .   1    LYS   HA     .   7153   1    
     2     .   1   1   1    1    LYS   HB2    H   1   1.91   .   .   .   .   .   .   .   1    LYS   HB2    .   7153   1    
     3     .   1   1   1    1    LYS   HB3    H   1   1.72   .   .   .   .   .   .   .   1    LYS   HB3    .   7153   1    
     4     .   1   1   1    1    LYS   HG2    H   1   1.47   .   .   .   .   .   .   .   1    LYS   HG2    .   7153   1    
     5     .   1   1   1    1    LYS   HG3    H   1   1.47   .   .   .   .   .   .   .   1    LYS   HG3    .   7153   1    
     6     .   1   1   1    1    LYS   HD2    H   1   3.00   .   .   .   .   .   .   .   1    LYS   HD2    .   7153   1    
     7     .   1   1   1    1    LYS   HD3    H   1   3.00   .   .   .   .   .   .   .   1    LYS   HD3    .   7153   1    
     8     .   1   1   1    1    LYS   HE2    H   1   1.70   .   .   .   .   .   .   .   1    LYS   HE2    .   7153   1    
     9     .   1   1   1    1    LYS   HE3    H   1   1.70   .   .   .   .   .   .   .   1    LYS   HE3    .   7153   1    
     10    .   1   1   2    2    ALA   H      H   1   8.82   .   .   .   .   .   .   .   2    ALA   H      .   7153   1    
     11    .   1   1   2    2    ALA   HA     H   1   4.43   .   .   .   .   .   .   .   2    ALA   HA     .   7153   1    
     12    .   1   1   2    2    ALA   HB1    H   1   1.38   .   .   .   .   .   .   .   2    ALA   HB     .   7153   1    
     13    .   1   1   2    2    ALA   HB2    H   1   1.38   .   .   .   .   .   .   .   2    ALA   HB     .   7153   1    
     14    .   1   1   2    2    ALA   HB3    H   1   1.38   .   .   .   .   .   .   .   2    ALA   HB     .   7153   1    
     15    .   1   1   3    3    ILE   H      H   1   8.48   .   .   .   .   .   .   .   3    ILE   H      .   7153   1    
     16    .   1   1   3    3    ILE   HA     H   1   4.18   .   .   .   .   .   .   .   3    ILE   HA     .   7153   1    
     17    .   1   1   3    3    ILE   HB     H   1   1.88   .   .   .   .   .   .   .   3    ILE   HB     .   7153   1    
     18    .   1   1   3    3    ILE   HG12   H   1   0.93   .   .   .   .   .   .   .   3    ILE   HG12   .   7153   1    
     19    .   1   1   3    3    ILE   HG13   H   1   1.43   .   .   .   .   .   .   .   3    ILE   HG13   .   7153   1    
     20    .   1   1   3    3    ILE   HG21   H   1   1.23   .   .   .   .   .   .   .   3    ILE   HG2    .   7153   1    
     21    .   1   1   3    3    ILE   HG22   H   1   1.23   .   .   .   .   .   .   .   3    ILE   HG2    .   7153   1    
     22    .   1   1   3    3    ILE   HG23   H   1   1.23   .   .   .   .   .   .   .   3    ILE   HG2    .   7153   1    
     23    .   1   1   3    3    ILE   HD11   H   1   0.90   .   .   .   .   .   .   .   3    ILE   HD1    .   7153   1    
     24    .   1   1   3    3    ILE   HD12   H   1   0.90   .   .   .   .   .   .   .   3    ILE   HD1    .   7153   1    
     25    .   1   1   3    3    ILE   HD13   H   1   0.90   .   .   .   .   .   .   .   3    ILE   HD1    .   7153   1    
     26    .   1   1   4    4    GLY   H      H   1   8.56   .   .   .   .   .   .   .   4    GLY   H      .   7153   1    
     27    .   1   1   4    4    GLY   HA2    H   1   4.01   .   .   .   .   .   .   .   4    GLY   HA2    .   7153   1    
     28    .   1   1   4    4    GLY   HA3    H   1   3.92   .   .   .   .   .   .   .   4    GLY   HA3    .   7153   1    
     29    .   1   1   5    5    ARG   H      H   1   8.41   .   .   .   .   .   .   .   5    ARG   H      .   7153   1    
     30    .   1   1   5    5    ARG   HA     H   1   4.39   .   .   .   .   .   .   .   5    ARG   HA     .   7153   1    
     31    .   1   1   5    5    ARG   HB2    H   1   1.85   .   .   .   .   .   .   .   5    ARG   HB2    .   7153   1    
     32    .   1   1   5    5    ARG   HB3    H   1   1.75   .   .   .   .   .   .   .   5    ARG   HB3    .   7153   1    
     33    .   1   1   5    5    ARG   HG2    H   1   1.61   .   .   .   .   .   .   .   5    ARG   HG2    .   7153   1    
     34    .   1   1   5    5    ARG   HG3    H   1   1.61   .   .   .   .   .   .   .   5    ARG   HG3    .   7153   1    
     35    .   1   1   5    5    ARG   HD2    H   1   3.20   .   .   .   .   .   .   .   5    ARG   HD2    .   7153   1    
     36    .   1   1   5    5    ARG   HD3    H   1   3.20   .   .   .   .   .   .   .   5    ARG   HD3    .   7153   1    
     37    .   1   1   5    5    ARG   HH11   H   1   7.24   .   .   .   .   .   .   .   5    ARG   NH1    .   7153   1    
     38    .   1   1   6    6    ASN   H      H   1   8.72   .   .   .   .   .   .   .   6    ASN   H      .   7153   1    
     39    .   1   1   6    6    ASN   HA     H   1   4.82   .   .   .   .   .   .   .   6    ASN   HA     .   7153   1    
     40    .   1   1   6    6    ASN   HB2    H   1   2.85   .   .   .   .   .   .   .   6    ASN   HB2    .   7153   1    
     41    .   1   1   6    6    ASN   HB3    H   1   2.85   .   .   .   .   .   .   .   6    ASN   HB3    .   7153   1    
     42    .   1   1   6    6    ASN   HD21   H   1   7.69   .   .   .   .   .   .   .   6    ASN   HD21   .   7153   1    
     43    .   1   1   6    6    ASN   HD22   H   1   7.00   .   .   .   .   .   .   .   6    ASN   HD22   .   7153   1    
     44    .   1   1   7    7    THR   H      H   1   8.37   .   .   .   .   .   .   .   7    THR   H      .   7153   1    
     45    .   1   1   7    7    THR   HA     H   1   4.33   .   .   .   .   .   .   .   7    THR   HA     .   7153   1    
     46    .   1   1   7    7    THR   HB     H   1   4.33   .   .   .   .   .   .   .   7    THR   HB2    .   7153   1    
     47    .   1   1   7    7    THR   HG21   H   1   1.19   .   .   .   .   .   .   .   7    THR   HG     .   7153   1    
     48    .   1   1   7    7    THR   HG22   H   1   1.19   .   .   .   .   .   .   .   7    THR   HG     .   7153   1    
     49    .   1   1   7    7    THR   HG23   H   1   1.19   .   .   .   .   .   .   .   7    THR   HG     .   7153   1    
     50    .   1   1   8    8    ASN   H      H   1   8.57   .   .   .   .   .   .   .   8    ASN   H      .   7153   1    
     51    .   1   1   8    8    ASN   HA     H   1   4.72   .   .   .   .   .   .   .   8    ASN   HA     .   7153   1    
     52    .   1   1   8    8    ASN   HB2    H   1   2.85   .   .   .   .   .   .   .   8    ASN   HB2    .   7153   1    
     53    .   1   1   8    8    ASN   HB3    H   1   2.85   .   .   .   .   .   .   .   8    ASN   HB3    .   7153   1    
     54    .   1   1   8    8    ASN   HD21   H   1   7.69   .   .   .   .   .   .   .   8    ASN   HD21   .   7153   1    
     55    .   1   1   8    8    ASN   HD22   H   1   7.00   .   .   .   .   .   .   .   8    ASN   HD22   .   7153   1    
     56    .   1   1   9    9    GLY   H      H   1   8.42   .   .   .   .   .   .   .   9    GLY   H      .   7153   1    
     57    .   1   1   9    9    GLY   HA2    H   1   3.99   .   .   .   .   .   .   .   9    GLY   HA2    .   7153   1    
     58    .   1   1   9    9    GLY   HA3    H   1   3.89   .   .   .   .   .   .   .   9    GLY   HA3    .   7153   1    
     59    .   1   1   10   10   VAL   H      H   1   8.00   .   .   .   .   .   .   .   10   VAL   H      .   7153   1    
     60    .   1   1   10   10   VAL   HA     H   1   4.09   .   .   .   .   .   .   .   10   VAL   HA     .   7153   1    
     61    .   1   1   10   10   VAL   HB     H   1   2.04   .   .   .   .   .   .   .   10   VAL   HB     .   7153   1    
     62    .   1   1   10   10   VAL   HG11   H   1   0.93   .   .   .   .   .   .   .   10   VAL   HG1    .   7153   1    
     63    .   1   1   10   10   VAL   HG12   H   1   0.93   .   .   .   .   .   .   .   10   VAL   HG1    .   7153   1    
     64    .   1   1   10   10   VAL   HG13   H   1   0.93   .   .   .   .   .   .   .   10   VAL   HG1    .   7153   1    
     65    .   1   1   11   11   ILE   H      H   1   8.49   .   .   .   .   .   .   .   11   ILE   H      .   7153   1    
     66    .   1   1   11   11   ILE   HA     H   1   4.27   .   .   .   .   .   .   .   11   ILE   HA     .   7153   1    
     67    .   1   1   11   11   ILE   HB     H   1   1.87   .   .   .   .   .   .   .   11   ILE   HB     .   7153   1    
     68    .   1   1   11   11   ILE   HG12   H   1   1.49   .   .   .   .   .   .   .   11   ILE   HG12   .   7153   1    
     69    .   1   1   11   11   ILE   HG13   H   1   1.20   .   .   .   .   .   .   .   11   ILE   HG13   .   7153   1    
     70    .   1   1   11   11   ILE   HG21   H   1   0.92   .   .   .   .   .   .   .   11   ILE   HG2    .   7153   1    
     71    .   1   1   11   11   ILE   HG22   H   1   0.92   .   .   .   .   .   .   .   11   ILE   HG2    .   7153   1    
     72    .   1   1   11   11   ILE   HG23   H   1   0.92   .   .   .   .   .   .   .   11   ILE   HG2    .   7153   1    
     73    .   1   1   11   11   ILE   HD11   H   1   0.88   .   .   .   .   .   .   .   11   ILE   HD1    .   7153   1    
     74    .   1   1   11   11   ILE   HD12   H   1   0.88   .   .   .   .   .   .   .   11   ILE   HD1    .   7153   1    
     75    .   1   1   11   11   ILE   HD13   H   1   0.88   .   .   .   .   .   .   .   11   ILE   HD1    .   7153   1    
     76    .   1   1   12   12   THR   H      H   1   8.39   .   .   .   .   .   .   .   12   THR   H      .   7153   1    
     77    .   1   1   12   12   THR   HA     H   1   4.34   .   .   .   .   .   .   .   12   THR   HA     .   7153   1    
     78    .   1   1   12   12   THR   HB     H   1   4.17   .   .   .   .   .   .   .   12   THR   HB     .   7153   1    
     79    .   1   1   12   12   THR   HG21   H   1   1.20   .   .   .   .   .   .   .   12   THR   HG2    .   7153   1    
     80    .   1   1   12   12   THR   HG22   H   1   1.20   .   .   .   .   .   .   .   12   THR   HG2    .   7153   1    
     81    .   1   1   12   12   THR   HG23   H   1   1.20   .   .   .   .   .   .   .   12   THR   HG2    .   7153   1    
     82    .   1   1   13   13   LYS   H      H   1   8.48   .   .   .   .   .   .   .   13   LYS   H      .   7153   1    
     83    .   1   1   13   13   LYS   HA     H   1   4.39   .   .   .   .   .   .   .   13   LYS   HA     .   7153   1    
     84    .   1   1   13   13   LYS   HB2    H   1   1.83   .   .   .   .   .   .   .   13   LYS   HB2    .   7153   1    
     85    .   1   1   13   13   LYS   HB3    H   1   1.75   .   .   .   .   .   .   .   13   LYS   HB3    .   7153   1    
     86    .   1   1   13   13   LYS   HG2    H   1   1.62   .   .   .   .   .   .   .   13   LYS   HG2    .   7153   1    
     87    .   1   1   13   13   LYS   HG3    H   1   1.62   .   .   .   .   .   .   .   13   LYS   HG3    .   7153   1    
     88    .   1   1   13   13   LYS   HD2    H   1   3.19   .   .   .   .   .   .   .   13   LYS   HD2    .   7153   1    
     89    .   1   1   13   13   LYS   HD3    H   1   3.19   .   .   .   .   .   .   .   13   LYS   HD3    .   7153   1    
     90    .   1   1   13   13   LYS   HE2    H   1   2.64   .   .   .   .   .   .   .   13   LYS   HE2    .   7153   1    
     91    .   1   1   13   13   LYS   HE3    H   1   2.64   .   .   .   .   .   .   .   13   LYS   HE3    .   7153   1    
     92    .   1   1   13   13   LYS   HZ1    H   1   7.24   .   .   .   .   .   .   .   13   LYS   HZ     .   7153   1    
     93    .   1   1   13   13   LYS   HZ2    H   1   7.24   .   .   .   .   .   .   .   13   LYS   HZ     .   7153   1    
     94    .   1   1   13   13   LYS   HZ3    H   1   7.24   .   .   .   .   .   .   .   13   LYS   HZ     .   7153   1    
     95    .   1   1   14   14   ASP   H      H   1   8.60   .   .   .   .   .   .   .   14   ASP   H      .   7153   1    
     96    .   1   1   14   14   ASP   HA     H   1   4.70   .   .   .   .   .   .   .   14   ASP   HA     .   7153   1    
     97    .   1   1   14   14   ASP   HB2    H   1   2.92   .   .   .   .   .   .   .   14   ASP   HB2    .   7153   1    
     98    .   1   1   14   14   ASP   HB3    H   1   2.78   .   .   .   .   .   .   .   14   ASP   HB3    .   7153   1    
     99    .   1   1   15   15   GLU   H      H   1   8.14   .   .   .   .   .   .   .   15   GLU   H      .   7153   1    
     100   .   1   1   15   15   GLU   HA     H   1   4.30   .   .   .   .   .   .   .   15   GLU   HA     .   7153   1    
     101   .   1   1   15   15   GLU   HB2    H   1   2.17   .   .   .   .   .   .   .   15   GLU   HB2    .   7153   1    
     102   .   1   1   15   15   GLU   HB3    H   1   1.97   .   .   .   .   .   .   .   15   GLU   HB3    .   7153   1    
     103   .   1   1   15   15   GLU   HG2    H   1   2.44   .   .   .   .   .   .   .   15   GLU   HG2    .   7153   1    
     104   .   1   1   15   15   GLU   HG3    H   1   2.44   .   .   .   .   .   .   .   15   GLU   HG3    .   7153   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_chem_shift_list_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chem_shift_list_2
   _Assigned_chem_shift_list.Entry_ID                     7153
   _Assigned_chem_shift_list.ID                           2
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
   _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   isotropic   7153   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    LYS   HA     H   1   4.02   .   .   .   .   .   .   .   1    LYS   HA     .   7153   2    
     2    .   1   1   1    1    LYS   HB2    H   1   1.95   .   .   .   .   .   .   .   1    LYS   HB2    .   7153   2    
     3    .   1   1   1    1    LYS   HG2    H   1   1.42   .   .   .   .   .   .   .   1    LYS   HG2    .   7153   2    
     4    .   1   1   1    1    LYS   HG3    H   1   1.42   .   .   .   .   .   .   .   1    LYS   HG3    .   7153   2    
     5    .   1   1   2    2    ALA   H      H   1   8.71   .   .   .   .   .   .   .   2    ALA   H      .   7153   2    
     6    .   1   1   2    2    ALA   HA     H   1   4.49   .   .   .   .   .   .   .   2    ALA   HA     .   7153   2    
     7    .   1   1   2    2    ALA   HB1    H   1   1.44   .   .   .   .   .   .   .   2    ALA   HB     .   7153   2    
     8    .   1   1   2    2    ALA   HB2    H   1   1.44   .   .   .   .   .   .   .   2    ALA   HB     .   7153   2    
     9    .   1   1   2    2    ALA   HB3    H   1   1.44   .   .   .   .   .   .   .   2    ALA   HB     .   7153   2    
     10   .   1   1   3    3    ILE   H      H   1   8.16   .   .   .   .   .   .   .   3    ILE   H      .   7153   2    
     11   .   1   1   3    3    ILE   HA     H   1   4.28   .   .   .   .   .   .   .   3    ILE   HA     .   7153   2    
     12   .   1   1   3    3    ILE   HB     H   1   1.88   .   .   .   .   .   .   .   3    ILE   HB     .   7153   2    
     13   .   1   1   3    3    ILE   HG12   H   1   1.50   .   .   .   .   .   .   .   3    ILE   HG12   .   7153   2    
     14   .   1   1   3    3    ILE   HG13   H   1   1.21   .   .   .   .   .   .   .   3    ILE   HG13   .   7153   2    
     15   .   1   1   3    3    ILE   HG21   H   1   0.95   .   .   .   .   .   .   .   3    ILE   HG2    .   7153   2    
     16   .   1   1   3    3    ILE   HG22   H   1   0.95   .   .   .   .   .   .   .   3    ILE   HG2    .   7153   2    
     17   .   1   1   3    3    ILE   HG23   H   1   0.95   .   .   .   .   .   .   .   3    ILE   HG2    .   7153   2    
     18   .   1   1   3    3    ILE   HD11   H   1   0.90   .   .   .   .   .   .   .   3    ILE   HD1    .   7153   2    
     19   .   1   1   3    3    ILE   HD12   H   1   0.90   .   .   .   .   .   .   .   3    ILE   HD1    .   7153   2    
     20   .   1   1   3    3    ILE   HD13   H   1   0.90   .   .   .   .   .   .   .   3    ILE   HD1    .   7153   2    
     21   .   1   1   4    4    GLY   H      H   1   8.32   .   .   .   .   .   .   .   4    GLY   H      .   7153   2    
     22   .   1   1   4    4    GLY   HA2    H   1   3.99   .   .   .   .   .   .   .   4    GLY   HA2    .   7153   2    
     23   .   1   1   5    5    ARG   H      H   1   8.25   .   .   .   .   .   .   .   5    ARG   H      .   7153   2    
     24   .   1   1   5    5    ARG   HA     H   1   4.49   .   .   .   .   .   .   .   5    ARG   HA     .   7153   2    
     25   .   1   1   5    5    ARG   HB2    H   1   1.86   .   .   .   .   .   .   .   5    ARG   HB2    .   7153   2    
     26   .   1   1   5    5    ARG   HB3    H   1   1.75   .   .   .   .   .   .   .   5    ARG   HB3    .   7153   2    
     27   .   1   1   5    5    ARG   HG2    H   1   1.64   .   .   .   .   .   .   .   5    ARG   HG2    .   7153   2    
     28   .   1   1   5    5    ARG   HG3    H   1   1.64   .   .   .   .   .   .   .   5    ARG   HG3    .   7153   2    
     29   .   1   1   5    5    ARG   HD2    H   1   3.18   .   .   .   .   .   .   .   5    ARG   HD2    .   7153   2    
     30   .   1   1   5    5    ARG   HD3    H   1   3.18   .   .   .   .   .   .   .   5    ARG   HD3    .   7153   2    
     31   .   1   1   5    5    ARG   HH11   H   1   7.23   .   .   .   .   .   .   .   5    ARG   NH1    .   7153   2    
     32   .   1   1   6    6    ASN   H      H   1   8.61   .   .   .   .   .   .   .   6    ASN   H      .   7153   2    
     33   .   1   1   6    6    ASN   HA     H   1   4.85   .   .   .   .   .   .   .   6    ASN   HA     .   7153   2    
     34   .   1   1   6    6    ASN   HB2    H   1   2.93   .   .   .   .   .   .   .   6    ASN   HB2    .   7153   2    
     35   .   1   1   6    6    ASN   HB3    H   1   2.93   .   .   .   .   .   .   .   6    ASN   HB3    .   7153   2    
     36   .   1   1   6    6    ASN   HD21   H   1   7.61   .   .   .   .   .   .   .   6    ASN   HD21   .   7153   2    
     37   .   1   1   6    6    ASN   HD22   H   1   6.90   .   .   .   .   .   .   .   6    ASN   HD22   .   7153   2    
     38   .   1   1   7    7    THR   H      H   1   8.20   .   .   .   .   .   .   .   7    THR   H      .   7153   2    
     39   .   1   1   7    7    THR   HA     H   1   4.32   .   .   .   .   .   .   .   7    THR   HA     .   7153   2    
     40   .   1   1   7    7    THR   HB     H   1   4.32   .   .   .   .   .   .   .   7    THR   HB2    .   7153   2    
     41   .   1   1   7    7    THR   HG21   H   1   1.22   .   .   .   .   .   .   .   7    THR   HG     .   7153   2    
     42   .   1   1   7    7    THR   HG22   H   1   1.22   .   .   .   .   .   .   .   7    THR   HG     .   7153   2    
     43   .   1   1   7    7    THR   HG23   H   1   1.22   .   .   .   .   .   .   .   7    THR   HG     .   7153   2    
     44   .   1   1   8    8    ASN   H      H   1   8.37   .   .   .   .   .   .   .   8    ASN   H      .   7153   2    
     45   .   1   1   8    8    ASN   HA     H   1   4.74   .   .   .   .   .   .   .   8    ASN   HA     .   7153   2    
     46   .   1   1   8    8    ASN   HB2    H   1   2.87   .   .   .   .   .   .   .   8    ASN   HB2    .   7153   2    
     47   .   1   1   8    8    ASN   HB3    H   1   2.87   .   .   .   .   .   .   .   8    ASN   HB3    .   7153   2    
     48   .   1   1   8    8    ASN   HD21   H   1   7.58   .   .   .   .   .   .   .   8    ASN   HD21   .   7153   2    
     49   .   1   1   8    8    ASN   HD22   H   1   6.80   .   .   .   .   .   .   .   8    ASN   HD22   .   7153   2    
     50   .   1   1   9    9    GLY   H      H   1   8.35   .   .   .   .   .   .   .   9    GLY   H      .   7153   2    
     51   .   1   1   9    9    GLY   HA2    H   1   4.05   .   .   .   .   .   .   .   9    GLY   HA2    .   7153   2    
     52   .   1   1   9    9    GLY   HA3    H   1   3.86   .   .   .   .   .   .   .   9    GLY   HA3    .   7153   2    
     53   .   1   1   10   10   VAL   H      H   1   7.86   .   .   .   .   .   .   .   10   VAL   H      .   7153   2    
     54   .   1   1   10   10   VAL   HA     H   1   4.08   .   .   .   .   .   .   .   10   VAL   HA     .   7153   2    
     55   .   1   1   10   10   VAL   HB     H   1   2.11   .   .   .   .   .   .   .   10   VAL   HB     .   7153   2    
     56   .   1   1   10   10   VAL   HG11   H   1   0.95   .   .   .   .   .   .   .   10   VAL   HG1    .   7153   2    
     57   .   1   1   10   10   VAL   HG12   H   1   0.95   .   .   .   .   .   .   .   10   VAL   HG1    .   7153   2    
     58   .   1   1   10   10   VAL   HG13   H   1   0.95   .   .   .   .   .   .   .   10   VAL   HG1    .   7153   2    
     59   .   1   1   11   11   ILE   H      H   1   8.14   .   .   .   .   .   .   .   11   ILE   H      .   7153   2    
     60   .   1   1   11   11   ILE   HA     H   1   4.27   .   .   .   .   .   .   .   11   ILE   HA     .   7153   2    
     61   .   1   1   11   11   ILE   HB     H   1   1.89   .   .   .   .   .   .   .   11   ILE   HB     .   7153   2    
     62   .   1   1   11   11   ILE   HG12   H   1   1.57   .   .   .   .   .   .   .   11   ILE   HG12   .   7153   2    
     63   .   1   1   11   11   ILE   HG13   H   1   1.21   .   .   .   .   .   .   .   11   ILE   HG13   .   7153   2    
     64   .   1   1   11   11   ILE   HG21   H   1   0.95   .   .   .   .   .   .   .   11   ILE   HG2    .   7153   2    
     65   .   1   1   11   11   ILE   HG22   H   1   0.95   .   .   .   .   .   .   .   11   ILE   HG2    .   7153   2    
     66   .   1   1   11   11   ILE   HG23   H   1   0.95   .   .   .   .   .   .   .   11   ILE   HG2    .   7153   2    
     67   .   1   1   11   11   ILE   HD11   H   1   0.90   .   .   .   .   .   .   .   11   ILE   HD1    .   7153   2    
     68   .   1   1   11   11   ILE   HD12   H   1   0.90   .   .   .   .   .   .   .   11   ILE   HD1    .   7153   2    
     69   .   1   1   11   11   ILE   HD13   H   1   0.90   .   .   .   .   .   .   .   11   ILE   HD1    .   7153   2    
     70   .   1   1   12   12   THR   H      H   1   8.09   .   .   .   .   .   .   .   12   THR   H      .   7153   2    
     71   .   1   1   12   12   THR   HA     H   1   4.45   .   .   .   .   .   .   .   12   THR   HA     .   7153   2    
     72   .   1   1   12   12   THR   HB     H   1   4.34   .   .   .   .   .   .   .   12   THR   HB     .   7153   2    
     73   .   1   1   12   12   THR   HG21   H   1   1.23   .   .   .   .   .   .   .   12   THR   HG2    .   7153   2    
     74   .   1   1   12   12   THR   HG22   H   1   1.23   .   .   .   .   .   .   .   12   THR   HG2    .   7153   2    
     75   .   1   1   12   12   THR   HG23   H   1   1.23   .   .   .   .   .   .   .   12   THR   HG2    .   7153   2    
     76   .   1   1   13   13   LYS   H      H   1   8.19   .   .   .   .   .   .   .   13   LYS   H      .   7153   2    
     77   .   1   1   13   13   LYS   HA     H   1   4.40   .   .   .   .   .   .   .   13   LYS   HA     .   7153   2    
     78   .   1   1   13   13   LYS   HB2    H   1   1.89   .   .   .   .   .   .   .   13   LYS   HB2    .   7153   2    
     79   .   1   1   13   13   LYS   HB3    H   1   1.83   .   .   .   .   .   .   .   13   LYS   HB3    .   7153   2    
     80   .   1   1   13   13   LYS   HG2    H   1   1.45   .   .   .   .   .   .   .   13   LYS   HG2    .   7153   2    
     81   .   1   1   13   13   LYS   HG3    H   1   1.45   .   .   .   .   .   .   .   13   LYS   HG3    .   7153   2    
     82   .   1   1   13   13   LYS   HD2    H   1   3.02   .   .   .   .   .   .   .   13   LYS   HD2    .   7153   2    
     83   .   1   1   13   13   LYS   HD3    H   1   3.02   .   .   .   .   .   .   .   13   LYS   HD3    .   7153   2    
     84   .   1   1   13   13   LYS   HE2    H   1   1.73   .   .   .   .   .   .   .   13   LYS   HE2    .   7153   2    
     85   .   1   1   13   13   LYS   HE3    H   1   1.73   .   .   .   .   .   .   .   13   LYS   HE3    .   7153   2    
     86   .   1   1   13   13   LYS   HZ1    H   1   7.23   .   .   .   .   .   .   .   13   LYS   HZ     .   7153   2    
     87   .   1   1   13   13   LYS   HZ2    H   1   7.23   .   .   .   .   .   .   .   13   LYS   HZ     .   7153   2    
     88   .   1   1   13   13   LYS   HZ3    H   1   7.23   .   .   .   .   .   .   .   13   LYS   HZ     .   7153   2    
     89   .   1   1   14   14   ASP   H      H   1   8.44   .   .   .   .   .   .   .   14   ASP   H      .   7153   2    
     90   .   1   1   14   14   ASP   HA     H   1   4.77   .   .   .   .   .   .   .   14   ASP   HA     .   7153   2    
     91   .   1   1   14   14   ASP   HB2    H   1   2.93   .   .   .   .   .   .   .   14   ASP   HB2    .   7153   2    
     92   .   1   1   14   14   ASP   HB3    H   1   2.83   .   .   .   .   .   .   .   14   ASP   HB3    .   7153   2    
     93   .   1   1   15   15   GLU   H      H   1   8.00   .   .   .   .   .   .   .   15   GLU   H      .   7153   2    
     94   .   1   1   15   15   GLU   HA     H   1   4.38   .   .   .   .   .   .   .   15   GLU   HA     .   7153   2    
     95   .   1   1   15   15   GLU   HB2    H   1   2.21   .   .   .   .   .   .   .   15   GLU   HB2    .   7153   2    
     96   .   1   1   15   15   GLU   HB3    H   1   2.02   .   .   .   .   .   .   .   15   GLU   HB3    .   7153   2    
     97   .   1   1   15   15   GLU   HG2    H   1   2.47   .   .   .   .   .   .   .   15   GLU   HG2    .   7153   2    
     98   .   1   1   15   15   GLU   HG3    H   1   2.47   .   .   .   .   .   .   .   15   GLU   HG3    .   7153   2    

   stop_

save_