###################################
     #  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_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                     30945
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         .
   _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   $chem_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'   .   .   .   30945   1    
     2   '2D 1H-1H TOCSY'   .   .   .   30945   1    
     3   '2D 1H-13C HSQC'   .   .   .   30945   1    
     4   '2D 1H-15N HSQC'   .   .   .   30945   1    

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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   1    1    GLY   HA2    H   1    3.642     0.001   .   .   .   .   .   .   A   1    GLY   HA2    .   30945   1    
     2     .   1   .   1   1    1    GLY   HA3    H   1    3.984     0.005   .   .   .   .   .   .   A   1    GLY   HA3    .   30945   1    
     3     .   1   .   1   1    1    GLY   CA     C   13   43.631    0.000   .   .   .   .   .   .   A   1    GLY   CA     .   30945   1    
     4     .   1   .   1   2    2    VAL   H      H   1    8.764     0.000   .   .   .   .   .   .   A   2    VAL   H      .   30945   1    
     5     .   1   .   1   2    2    VAL   HA     H   1    3.789     0.002   .   .   .   .   .   .   A   2    VAL   HA     .   30945   1    
     6     .   1   .   1   2    2    VAL   HB     H   1    2.068     0.000   .   .   .   .   .   .   A   2    VAL   HB     .   30945   1    
     7     .   1   .   1   2    2    VAL   HG11   H   1    1.048     0.007   .   .   .   .   .   .   A   2    VAL   HG11   .   30945   1    
     8     .   1   .   1   2    2    VAL   HG12   H   1    1.048     0.007   .   .   .   .   .   .   A   2    VAL   HG12   .   30945   1    
     9     .   1   .   1   2    2    VAL   HG13   H   1    1.048     0.007   .   .   .   .   .   .   A   2    VAL   HG13   .   30945   1    
     10    .   1   .   1   2    2    VAL   HG21   H   1    0.944     0.004   .   .   .   .   .   .   A   2    VAL   HG21   .   30945   1    
     11    .   1   .   1   2    2    VAL   HG22   H   1    0.944     0.004   .   .   .   .   .   .   A   2    VAL   HG22   .   30945   1    
     12    .   1   .   1   2    2    VAL   HG23   H   1    0.944     0.004   .   .   .   .   .   .   A   2    VAL   HG23   .   30945   1    
     13    .   1   .   1   2    2    VAL   CA     C   13   65.495    0.000   .   .   .   .   .   .   A   2    VAL   CA     .   30945   1    
     14    .   1   .   1   2    2    VAL   CB     C   13   31.716    0.000   .   .   .   .   .   .   A   2    VAL   CB     .   30945   1    
     15    .   1   .   1   2    2    VAL   CG1    C   13   21.680    0.000   .   .   .   .   .   .   A   2    VAL   CG1    .   30945   1    
     16    .   1   .   1   2    2    VAL   CG2    C   13   22.366    0.000   .   .   .   .   .   .   A   2    VAL   CG2    .   30945   1    
     17    .   1   .   1   2    2    VAL   N      N   15   120.753   0.000   .   .   .   .   .   .   A   2    VAL   N      .   30945   1    
     18    .   1   .   1   3    3    GLY   H      H   1    8.724     0.001   .   .   .   .   .   .   A   3    GLY   H      .   30945   1    
     19    .   1   .   1   3    3    GLY   HA2    H   1    3.992     0.002   .   .   .   .   .   .   A   3    GLY   HA2    .   30945   1    
     20    .   1   .   1   3    3    GLY   HA3    H   1    3.630     0.012   .   .   .   .   .   .   A   3    GLY   HA3    .   30945   1    
     21    .   1   .   1   3    3    GLY   CA     C   13   43.590    0.000   .   .   .   .   .   .   A   3    GLY   CA     .   30945   1    
     22    .   1   .   1   3    3    GLY   N      N   15   109.411   0.000   .   .   .   .   .   .   A   3    GLY   N      .   30945   1    
     23    .   1   .   1   4    4    ASP   H      H   1    7.656     0.000   .   .   .   .   .   .   A   4    ASP   H      .   30945   1    
     24    .   1   .   1   4    4    ASP   HA     H   1    4.319     0.000   .   .   .   .   .   .   A   4    ASP   HA     .   30945   1    
     25    .   1   .   1   4    4    ASP   HB2    H   1    2.776     0.002   .   .   .   .   .   .   A   4    ASP   HB2    .   30945   1    
     26    .   1   .   1   4    4    ASP   HB3    H   1    2.644     0.003   .   .   .   .   .   .   A   4    ASP   HB3    .   30945   1    
     27    .   1   .   1   4    4    ASP   CA     C   13   57.308    0.000   .   .   .   .   .   .   A   4    ASP   CA     .   30945   1    
     28    .   1   .   1   4    4    ASP   CB     C   13   40.675    0.000   .   .   .   .   .   .   A   4    ASP   CB     .   30945   1    
     29    .   1   .   1   4    4    ASP   N      N   15   119.108   0.000   .   .   .   .   .   .   A   4    ASP   N      .   30945   1    
     30    .   1   .   1   5    5    LEU   H      H   1    7.761     0.003   .   .   .   .   .   .   A   5    LEU   H      .   30945   1    
     31    .   1   .   1   5    5    LEU   HA     H   1    4.076     0.001   .   .   .   .   .   .   A   5    LEU   HA     .   30945   1    
     32    .   1   .   1   5    5    LEU   HB2    H   1    1.940     0.004   .   .   .   .   .   .   A   5    LEU   HB2    .   30945   1    
     33    .   1   .   1   5    5    LEU   HB3    H   1    1.734     0.008   .   .   .   .   .   .   A   5    LEU   HB3    .   30945   1    
     34    .   1   .   1   5    5    LEU   HG     H   1    1.583     0.001   .   .   .   .   .   .   A   5    LEU   HG     .   30945   1    
     35    .   1   .   1   5    5    LEU   HD11   H   1    0.917     0.005   .   .   .   .   .   .   A   5    LEU   HD11   .   30945   1    
     36    .   1   .   1   5    5    LEU   HD12   H   1    0.917     0.005   .   .   .   .   .   .   A   5    LEU   HD12   .   30945   1    
     37    .   1   .   1   5    5    LEU   HD13   H   1    0.917     0.005   .   .   .   .   .   .   A   5    LEU   HD13   .   30945   1    
     38    .   1   .   1   5    5    LEU   HD21   H   1    0.855     0.006   .   .   .   .   .   .   A   5    LEU   HD21   .   30945   1    
     39    .   1   .   1   5    5    LEU   HD22   H   1    0.855     0.006   .   .   .   .   .   .   A   5    LEU   HD22   .   30945   1    
     40    .   1   .   1   5    5    LEU   HD23   H   1    0.855     0.006   .   .   .   .   .   .   A   5    LEU   HD23   .   30945   1    
     41    .   1   .   1   5    5    LEU   CA     C   13   59.149    0.000   .   .   .   .   .   .   A   5    LEU   CA     .   30945   1    
     42    .   1   .   1   5    5    LEU   CB     C   13   41.447    0.000   .   .   .   .   .   .   A   5    LEU   CB     .   30945   1    
     43    .   1   .   1   5    5    LEU   CG     C   13   27.124    0.000   .   .   .   .   .   .   A   5    LEU   CG     .   30945   1    
     44    .   1   .   1   5    5    LEU   CD1    C   13   25.152    0.000   .   .   .   .   .   .   A   5    LEU   CD1    .   30945   1    
     45    .   1   .   1   5    5    LEU   CD2    C   13   23.823    0.000   .   .   .   .   .   .   A   5    LEU   CD2    .   30945   1    
     46    .   1   .   1   5    5    LEU   N      N   15   121.073   0.000   .   .   .   .   .   .   A   5    LEU   N      .   30945   1    
     47    .   1   .   1   6    6    ILE   H      H   1    8.044     0.001   .   .   .   .   .   .   A   6    ILE   H      .   30945   1    
     48    .   1   .   1   6    6    ILE   HA     H   1    3.582     0.003   .   .   .   .   .   .   A   6    ILE   HA     .   30945   1    
     49    .   1   .   1   6    6    ILE   HB     H   1    1.941     0.006   .   .   .   .   .   .   A   6    ILE   HB     .   30945   1    
     50    .   1   .   1   6    6    ILE   HG12   H   1    1.767     0.004   .   .   .   .   .   .   A   6    ILE   HG12   .   30945   1    
     51    .   1   .   1   6    6    ILE   HG13   H   1    1.723     0.003   .   .   .   .   .   .   A   6    ILE   HG13   .   30945   1    
     52    .   1   .   1   6    6    ILE   HG21   H   1    1.123     0.005   .   .   .   .   .   .   A   6    ILE   HG21   .   30945   1    
     53    .   1   .   1   6    6    ILE   HG22   H   1    1.123     0.005   .   .   .   .   .   .   A   6    ILE   HG22   .   30945   1    
     54    .   1   .   1   6    6    ILE   HG23   H   1    1.123     0.005   .   .   .   .   .   .   A   6    ILE   HG23   .   30945   1    
     55    .   1   .   1   6    6    ILE   HD11   H   1    0.851     0.001   .   .   .   .   .   .   A   6    ILE   HD11   .   30945   1    
     56    .   1   .   1   6    6    ILE   HD12   H   1    0.851     0.001   .   .   .   .   .   .   A   6    ILE   HD12   .   30945   1    
     57    .   1   .   1   6    6    ILE   HD13   H   1    0.851     0.001   .   .   .   .   .   .   A   6    ILE   HD13   .   30945   1    
     58    .   1   .   1   6    6    ILE   CA     C   13   65.108    0.000   .   .   .   .   .   .   A   6    ILE   CA     .   30945   1    
     59    .   1   .   1   6    6    ILE   CB     C   13   37.369    0.000   .   .   .   .   .   .   A   6    ILE   CB     .   30945   1    
     60    .   1   .   1   6    6    ILE   CG1    C   13   29.439    0.000   .   .   .   .   .   .   A   6    ILE   CG1    .   30945   1    
     61    .   1   .   1   6    6    ILE   CG2    C   13   24.440    0.000   .   .   .   .   .   .   A   6    ILE   CG2    .   30945   1    
     62    .   1   .   1   6    6    ILE   CD1    C   13   17.865    0.000   .   .   .   .   .   .   A   6    ILE   CD1    .   30945   1    
     63    .   1   .   1   6    6    ILE   N      N   15   118.728   0.000   .   .   .   .   .   .   A   6    ILE   N      .   30945   1    
     64    .   1   .   1   7    7    ARG   H      H   1    8.098     0.001   .   .   .   .   .   .   A   7    ARG   H      .   30945   1    
     65    .   1   .   1   7    7    ARG   HA     H   1    3.822     0.006   .   .   .   .   .   .   A   7    ARG   HA     .   30945   1    
     66    .   1   .   1   7    7    ARG   HB2    H   1    1.826     0.003   .   .   .   .   .   .   A   7    ARG   HB2    .   30945   1    
     67    .   1   .   1   7    7    ARG   HB3    H   1    1.826     0.003   .   .   .   .   .   .   A   7    ARG   HB3    .   30945   1    
     68    .   1   .   1   7    7    ARG   HG2    H   1    1.568     0.005   .   .   .   .   .   .   A   7    ARG   HG2    .   30945   1    
     69    .   1   .   1   7    7    ARG   HG3    H   1    1.568     0.005   .   .   .   .   .   .   A   7    ARG   HG3    .   30945   1    
     70    .   1   .   1   7    7    ARG   HD2    H   1    3.221     0.000   .   .   .   .   .   .   A   7    ARG   HD2    .   30945   1    
     71    .   1   .   1   7    7    ARG   HD3    H   1    3.088     0.000   .   .   .   .   .   .   A   7    ARG   HD3    .   30945   1    
     72    .   1   .   1   7    7    ARG   HE     H   1    7.225     0.000   .   .   .   .   .   .   A   7    ARG   HE     .   30945   1    
     73    .   1   .   1   7    7    ARG   CA     C   13   60.392    0.000   .   .   .   .   .   .   A   7    ARG   CA     .   30945   1    
     74    .   1   .   1   7    7    ARG   CB     C   13   32.268    0.000   .   .   .   .   .   .   A   7    ARG   CB     .   30945   1    
     75    .   1   .   1   7    7    ARG   CG     C   13   30.896    0.000   .   .   .   .   .   .   A   7    ARG   CG     .   30945   1    
     76    .   1   .   1   7    7    ARG   CD     C   13   43.285    0.000   .   .   .   .   .   .   A   7    ARG   CD     .   30945   1    
     77    .   1   .   1   7    7    ARG   N      N   15   117.760   0.000   .   .   .   .   .   .   A   7    ARG   N      .   30945   1    
     78    .   1   .   1   8    8    LYS   H      H   1    7.839     0.002   .   .   .   .   .   .   A   8    LYS   H      .   30945   1    
     79    .   1   .   1   8    8    LYS   HA     H   1    4.067     0.001   .   .   .   .   .   .   A   8    LYS   HA     .   30945   1    
     80    .   1   .   1   8    8    LYS   HB2    H   1    1.963     0.006   .   .   .   .   .   .   A   8    LYS   HB2    .   30945   1    
     81    .   1   .   1   8    8    LYS   HB3    H   1    1.963     0.006   .   .   .   .   .   .   A   8    LYS   HB3    .   30945   1    
     82    .   1   .   1   8    8    LYS   HG2    H   1    1.460     0.003   .   .   .   .   .   .   A   8    LYS   HG2    .   30945   1    
     83    .   1   .   1   8    8    LYS   HG3    H   1    1.460     0.003   .   .   .   .   .   .   A   8    LYS   HG3    .   30945   1    
     84    .   1   .   1   8    8    LYS   HD2    H   1    1.641     0.000   .   .   .   .   .   .   A   8    LYS   HD2    .   30945   1    
     85    .   1   .   1   8    8    LYS   HD3    H   1    1.641     0.000   .   .   .   .   .   .   A   8    LYS   HD3    .   30945   1    
     86    .   1   .   1   8    8    LYS   HE2    H   1    2.852     0.004   .   .   .   .   .   .   A   8    LYS   HE2    .   30945   1    
     87    .   1   .   1   8    8    LYS   HE3    H   1    2.852     0.004   .   .   .   .   .   .   A   8    LYS   HE3    .   30945   1    
     88    .   1   .   1   8    8    LYS   CA     C   13   59.149    0.000   .   .   .   .   .   .   A   8    LYS   CA     .   30945   1    
     89    .   1   .   1   8    8    LYS   CB     C   13   32.011    0.000   .   .   .   .   .   .   A   8    LYS   CB     .   30945   1    
     90    .   1   .   1   8    8    LYS   CG     C   13   25.109    0.000   .   .   .   .   .   .   A   8    LYS   CG     .   30945   1    
     91    .   1   .   1   8    8    LYS   CD     C   13   29.096    0.000   .   .   .   .   .   .   A   8    LYS   CD     .   30945   1    
     92    .   1   .   1   8    8    LYS   CE     C   13   42.042    0.000   .   .   .   .   .   .   A   8    LYS   CE     .   30945   1    
     93    .   1   .   1   8    8    LYS   N      N   15   120.249   0.000   .   .   .   .   .   .   A   8    LYS   N      .   30945   1    
     94    .   1   .   1   9    9    ALA   H      H   1    8.357     0.001   .   .   .   .   .   .   A   9    ALA   H      .   30945   1    
     95    .   1   .   1   9    9    ALA   HA     H   1    3.908     0.003   .   .   .   .   .   .   A   9    ALA   HA     .   30945   1    
     96    .   1   .   1   9    9    ALA   HB1    H   1    1.462     0.002   .   .   .   .   .   .   A   9    ALA   HB1    .   30945   1    
     97    .   1   .   1   9    9    ALA   HB2    H   1    1.462     0.002   .   .   .   .   .   .   A   9    ALA   HB2    .   30945   1    
     98    .   1   .   1   9    9    ALA   HB3    H   1    1.462     0.002   .   .   .   .   .   .   A   9    ALA   HB3    .   30945   1    
     99    .   1   .   1   9    9    ALA   CA     C   13   55.548    0.000   .   .   .   .   .   .   A   9    ALA   CA     .   30945   1    
     100   .   1   .   1   9    9    ALA   CB     C   13   18.208    0.000   .   .   .   .   .   .   A   9    ALA   CB     .   30945   1    
     101   .   1   .   1   9    9    ALA   N      N   15   121.962   0.000   .   .   .   .   .   .   A   9    ALA   N      .   30945   1    
     102   .   1   .   1   10   10   VAL   H      H   1    8.500     0.001   .   .   .   .   .   .   A   10   VAL   H      .   30945   1    
     103   .   1   .   1   10   10   VAL   HA     H   1    3.430     0.001   .   .   .   .   .   .   A   10   VAL   HA     .   30945   1    
     104   .   1   .   1   10   10   VAL   HB     H   1    2.141     0.004   .   .   .   .   .   .   A   10   VAL   HB     .   30945   1    
     105   .   1   .   1   10   10   VAL   HG11   H   1    0.906     0.004   .   .   .   .   .   .   A   10   VAL   HG11   .   30945   1    
     106   .   1   .   1   10   10   VAL   HG12   H   1    0.906     0.004   .   .   .   .   .   .   A   10   VAL   HG12   .   30945   1    
     107   .   1   .   1   10   10   VAL   HG13   H   1    0.906     0.004   .   .   .   .   .   .   A   10   VAL   HG13   .   30945   1    
     108   .   1   .   1   10   10   VAL   HG21   H   1    1.034     0.001   .   .   .   .   .   .   A   10   VAL   HG21   .   30945   1    
     109   .   1   .   1   10   10   VAL   HG22   H   1    1.034     0.001   .   .   .   .   .   .   A   10   VAL   HG22   .   30945   1    
     110   .   1   .   1   10   10   VAL   HG23   H   1    1.034     0.001   .   .   .   .   .   .   A   10   VAL   HG23   .   30945   1    
     111   .   1   .   1   10   10   VAL   CA     C   13   67.122    0.000   .   .   .   .   .   .   A   10   VAL   CA     .   30945   1    
     112   .   1   .   1   10   10   VAL   CB     C   13   32.354    0.000   .   .   .   .   .   .   A   10   VAL   CB     .   30945   1    
     113   .   1   .   1   10   10   VAL   CG1    C   13   23.437    0.000   .   .   .   .   .   .   A   10   VAL   CG1    .   30945   1    
     114   .   1   .   1   10   10   VAL   CG2    C   13   21.594    0.000   .   .   .   .   .   .   A   10   VAL   CG2    .   30945   1    
     115   .   1   .   1   10   10   VAL   N      N   15   116.256   0.000   .   .   .   .   .   .   A   10   VAL   N      .   30945   1    
     116   .   1   .   1   11   11   SER   H      H   1    7.727     0.000   .   .   .   .   .   .   A   11   SER   H      .   30945   1    
     117   .   1   .   1   11   11   SER   HA     H   1    4.066     0.003   .   .   .   .   .   .   A   11   SER   HA     .   30945   1    
     118   .   1   .   1   11   11   SER   HB2    H   1    3.991     0.004   .   .   .   .   .   .   A   11   SER   HB2    .   30945   1    
     119   .   1   .   1   11   11   SER   HB3    H   1    3.991     0.004   .   .   .   .   .   .   A   11   SER   HB3    .   30945   1    
     120   .   1   .   1   11   11   SER   CA     C   13   62.021    0.000   .   .   .   .   .   .   A   11   SER   CA     .   30945   1    
     121   .   1   .   1   11   11   SER   CB     C   13   62.921    0.000   .   .   .   .   .   .   A   11   SER   CB     .   30945   1    
     122   .   1   .   1   11   11   SER   N      N   15   114.068   0.000   .   .   .   .   .   .   A   11   SER   N      .   30945   1    
     123   .   1   .   1   12   12   VAL   H      H   1    7.894     0.000   .   .   .   .   .   .   A   12   VAL   H      .   30945   1    
     124   .   1   .   1   12   12   VAL   HA     H   1    3.748     0.000   .   .   .   .   .   .   A   12   VAL   HA     .   30945   1    
     125   .   1   .   1   12   12   VAL   HB     H   1    2.224     0.002   .   .   .   .   .   .   A   12   VAL   HB     .   30945   1    
     126   .   1   .   1   12   12   VAL   HG11   H   1    1.066     0.004   .   .   .   .   .   .   A   12   VAL   HG11   .   30945   1    
     127   .   1   .   1   12   12   VAL   HG12   H   1    1.066     0.004   .   .   .   .   .   .   A   12   VAL   HG12   .   30945   1    
     128   .   1   .   1   12   12   VAL   HG13   H   1    1.066     0.004   .   .   .   .   .   .   A   12   VAL   HG13   .   30945   1    
     129   .   1   .   1   12   12   VAL   HG21   H   1    0.936     0.007   .   .   .   .   .   .   A   12   VAL   HG21   .   30945   1    
     130   .   1   .   1   12   12   VAL   HG22   H   1    0.936     0.007   .   .   .   .   .   .   A   12   VAL   HG22   .   30945   1    
     131   .   1   .   1   12   12   VAL   HG23   H   1    0.936     0.007   .   .   .   .   .   .   A   12   VAL   HG23   .   30945   1    
     132   .   1   .   1   12   12   VAL   CA     C   13   66.265    0.000   .   .   .   .   .   .   A   12   VAL   CA     .   30945   1    
     133   .   1   .   1   12   12   VAL   CB     C   13   31.796    0.000   .   .   .   .   .   .   A   12   VAL   CB     .   30945   1    
     134   .   1   .   1   12   12   VAL   CG1    C   13   22.751    0.000   .   .   .   .   .   .   A   12   VAL   CG1    .   30945   1    
     135   .   1   .   1   12   12   VAL   CG2    C   13   21.637    0.000   .   .   .   .   .   .   A   12   VAL   CG2    .   30945   1    
     136   .   1   .   1   12   12   VAL   N      N   15   122.024   0.000   .   .   .   .   .   .   A   12   VAL   N      .   30945   1    
     137   .   1   .   1   13   13   ILE   H      H   1    8.208     0.000   .   .   .   .   .   .   A   13   ILE   H      .   30945   1    
     138   .   1   .   1   13   13   ILE   HA     H   1    3.580     0.005   .   .   .   .   .   .   A   13   ILE   HA     .   30945   1    
     139   .   1   .   1   13   13   ILE   HB     H   1    1.922     0.010   .   .   .   .   .   .   A   13   ILE   HB     .   30945   1    
     140   .   1   .   1   13   13   ILE   HG12   H   1    1.722     0.003   .   .   .   .   .   .   A   13   ILE   HG12   .   30945   1    
     141   .   1   .   1   13   13   ILE   HG13   H   1    1.766     0.000   .   .   .   .   .   .   A   13   ILE   HG13   .   30945   1    
     142   .   1   .   1   13   13   ILE   HG21   H   1    0.850     0.001   .   .   .   .   .   .   A   13   ILE   HG21   .   30945   1    
     143   .   1   .   1   13   13   ILE   HG22   H   1    0.850     0.001   .   .   .   .   .   .   A   13   ILE   HG22   .   30945   1    
     144   .   1   .   1   13   13   ILE   HG23   H   1    0.850     0.001   .   .   .   .   .   .   A   13   ILE   HG23   .   30945   1    
     145   .   1   .   1   13   13   ILE   HD11   H   1    0.768     0.005   .   .   .   .   .   .   A   13   ILE   HD11   .   30945   1    
     146   .   1   .   1   13   13   ILE   HD12   H   1    0.768     0.005   .   .   .   .   .   .   A   13   ILE   HD12   .   30945   1    
     147   .   1   .   1   13   13   ILE   HD13   H   1    0.768     0.005   .   .   .   .   .   .   A   13   ILE   HD13   .   30945   1    
     148   .   1   .   1   13   13   ILE   CA     C   13   65.193    0.000   .   .   .   .   .   .   A   13   ILE   CA     .   30945   1    
     149   .   1   .   1   13   13   ILE   CB     C   13   38.912    0.000   .   .   .   .   .   .   A   13   ILE   CB     .   30945   1    
     150   .   1   .   1   13   13   ILE   CG1    C   13   29.053    0.000   .   .   .   .   .   .   A   13   ILE   CG1    .   30945   1    
     151   .   1   .   1   13   13   ILE   CG2    C   13   17.865    0.000   .   .   .   .   .   .   A   13   ILE   CG2    .   30945   1    
     152   .   1   .   1   13   13   ILE   CD1    C   13   12.892    0.000   .   .   .   .   .   .   A   13   ILE   CD1    .   30945   1    
     153   .   1   .   1   13   13   ILE   N      N   15   119.756   0.000   .   .   .   .   .   .   A   13   ILE   N      .   30945   1    
     154   .   1   .   1   14   14   LYS   H      H   1    8.668     0.001   .   .   .   .   .   .   A   14   LYS   H      .   30945   1    
     155   .   1   .   1   14   14   LYS   HA     H   1    3.829     0.004   .   .   .   .   .   .   A   14   LYS   HA     .   30945   1    
     156   .   1   .   1   14   14   LYS   HB2    H   1    1.821     0.001   .   .   .   .   .   .   A   14   LYS   HB2    .   30945   1    
     157   .   1   .   1   14   14   LYS   HB3    H   1    1.821     0.001   .   .   .   .   .   .   A   14   LYS   HB3    .   30945   1    
     158   .   1   .   1   14   14   LYS   HG2    H   1    1.344     0.002   .   .   .   .   .   .   A   14   LYS   HG2    .   30945   1    
     159   .   1   .   1   14   14   LYS   HG3    H   1    1.344     0.002   .   .   .   .   .   .   A   14   LYS   HG3    .   30945   1    
     160   .   1   .   1   14   14   LYS   HD2    H   1    1.601     0.004   .   .   .   .   .   .   A   14   LYS   HD2    .   30945   1    
     161   .   1   .   1   14   14   LYS   HD3    H   1    1.601     0.004   .   .   .   .   .   .   A   14   LYS   HD3    .   30945   1    
     162   .   1   .   1   14   14   LYS   HE2    H   1    2.875     0.000   .   .   .   .   .   .   A   14   LYS   HE2    .   30945   1    
     163   .   1   .   1   14   14   LYS   HE3    H   1    2.875     0.000   .   .   .   .   .   .   A   14   LYS   HE3    .   30945   1    
     164   .   1   .   1   14   14   LYS   CA     C   13   60.307    0.000   .   .   .   .   .   .   A   14   LYS   CA     .   30945   1    
     165   .   1   .   1   14   14   LYS   CB     C   13   30.039    0.000   .   .   .   .   .   .   A   14   LYS   CB     .   30945   1    
     166   .   1   .   1   14   14   LYS   CG     C   13   25.966    0.000   .   .   .   .   .   .   A   14   LYS   CG     .   30945   1    
     167   .   1   .   1   14   14   LYS   CD     C   13   29.567    0.000   .   .   .   .   .   .   A   14   LYS   CD     .   30945   1    
     168   .   1   .   1   14   14   LYS   CE     C   13   38.698    0.000   .   .   .   .   .   .   A   14   LYS   CE     .   30945   1    
     169   .   1   .   1   14   14   LYS   N      N   15   118.505   0.000   .   .   .   .   .   .   A   14   LYS   N      .   30945   1    
     170   .   1   .   1   15   15   ASN   H      H   1    7.630     0.001   .   .   .   .   .   .   A   15   ASN   H      .   30945   1    
     171   .   1   .   1   15   15   ASN   HA     H   1    4.455     0.000   .   .   .   .   .   .   A   15   ASN   HA     .   30945   1    
     172   .   1   .   1   15   15   ASN   HB2    H   1    2.846     0.001   .   .   .   .   .   .   A   15   ASN   HB2    .   30945   1    
     173   .   1   .   1   15   15   ASN   HB3    H   1    2.928     0.001   .   .   .   .   .   .   A   15   ASN   HB3    .   30945   1    
     174   .   1   .   1   15   15   ASN   HD21   H   1    6.794     0.005   .   .   .   .   .   .   A   15   ASN   HD21   .   30945   1    
     175   .   1   .   1   15   15   ASN   HD22   H   1    7.580     0.001   .   .   .   .   .   .   A   15   ASN   HD22   .   30945   1    
     176   .   1   .   1   15   15   ASN   CA     C   13   55.377    0.000   .   .   .   .   .   .   A   15   ASN   CA     .   30945   1    
     177   .   1   .   1   15   15   ASN   CB     C   13   41.956    0.000   .   .   .   .   .   .   A   15   ASN   CB     .   30945   1    
     178   .   1   .   1   15   15   ASN   N      N   15   114.216   0.000   .   .   .   .   .   .   A   15   ASN   N      .   30945   1    
     179   .   1   .   1   16   16   ILE   H      H   1    7.886     0.000   .   .   .   .   .   .   A   16   ILE   H      .   30945   1    
     180   .   1   .   1   16   16   ILE   HA     H   1    3.910     0.004   .   .   .   .   .   .   A   16   ILE   HA     .   30945   1    
     181   .   1   .   1   16   16   ILE   HB     H   1    1.911     0.000   .   .   .   .   .   .   A   16   ILE   HB     .   30945   1    
     182   .   1   .   1   16   16   ILE   HG12   H   1    1.196     0.005   .   .   .   .   .   .   A   16   ILE   HG12   .   30945   1    
     183   .   1   .   1   16   16   ILE   HG13   H   1    1.727     0.000   .   .   .   .   .   .   A   16   ILE   HG13   .   30945   1    
     184   .   1   .   1   16   16   ILE   HG21   H   1    0.928     0.007   .   .   .   .   .   .   A   16   ILE   HG21   .   30945   1    
     185   .   1   .   1   16   16   ILE   HG22   H   1    0.928     0.007   .   .   .   .   .   .   A   16   ILE   HG22   .   30945   1    
     186   .   1   .   1   16   16   ILE   HG23   H   1    0.928     0.007   .   .   .   .   .   .   A   16   ILE   HG23   .   30945   1    
     187   .   1   .   1   16   16   ILE   HD11   H   1    0.789     0.001   .   .   .   .   .   .   A   16   ILE   HD11   .   30945   1    
     188   .   1   .   1   16   16   ILE   HD12   H   1    0.789     0.001   .   .   .   .   .   .   A   16   ILE   HD12   .   30945   1    
     189   .   1   .   1   16   16   ILE   HD13   H   1    0.789     0.001   .   .   .   .   .   .   A   16   ILE   HD13   .   30945   1    
     190   .   1   .   1   16   16   ILE   CA     C   13   63.779    0.000   .   .   .   .   .   .   A   16   ILE   CA     .   30945   1    
     191   .   1   .   1   16   16   ILE   CB     C   13   38.955    0.000   .   .   .   .   .   .   A   16   ILE   CB     .   30945   1    
     192   .   1   .   1   16   16   ILE   CG1    C   13   31.411    0.000   .   .   .   .   .   .   A   16   ILE   CG1    .   30945   1    
     193   .   1   .   1   16   16   ILE   CG2    C   13   17.265    0.000   .   .   .   .   .   .   A   16   ILE   CG2    .   30945   1    
     194   .   1   .   1   16   16   ILE   CD1    C   13   13.621    0.000   .   .   .   .   .   .   A   16   ILE   CD1    .   30945   1    
     195   .   1   .   1   16   16   ILE   N      N   15   119.298   0.000   .   .   .   .   .   .   A   16   ILE   N      .   30945   1    
     196   .   1   .   1   17   17   VAL   H      H   1    8.044     0.000   .   .   .   .   .   .   A   17   VAL   H      .   30945   1    
     197   .   1   .   1   17   17   VAL   HA     H   1    3.905     0.000   .   .   .   .   .   .   A   17   VAL   HA     .   30945   1    
     198   .   1   .   1   17   17   VAL   HB     H   1    2.117     0.003   .   .   .   .   .   .   A   17   VAL   HB     .   30945   1    
     199   .   1   .   1   17   17   VAL   HG11   H   1    0.860     0.000   .   .   .   .   .   .   A   17   VAL   HG11   .   30945   1    
     200   .   1   .   1   17   17   VAL   HG12   H   1    0.860     0.000   .   .   .   .   .   .   A   17   VAL   HG12   .   30945   1    
     201   .   1   .   1   17   17   VAL   HG13   H   1    0.860     0.000   .   .   .   .   .   .   A   17   VAL   HG13   .   30945   1    
     202   .   1   .   1   17   17   VAL   HG21   H   1    0.938     0.003   .   .   .   .   .   .   A   17   VAL   HG21   .   30945   1    
     203   .   1   .   1   17   17   VAL   HG22   H   1    0.938     0.003   .   .   .   .   .   .   A   17   VAL   HG22   .   30945   1    
     204   .   1   .   1   17   17   VAL   HG23   H   1    0.938     0.003   .   .   .   .   .   .   A   17   VAL   HG23   .   30945   1    
     205   .   1   .   1   17   17   VAL   CA     C   13   58.077    0.000   .   .   .   .   .   .   A   17   VAL   CA     .   30945   1    
     206   .   1   .   1   17   17   VAL   CB     C   13   31.796    0.000   .   .   .   .   .   .   A   17   VAL   CB     .   30945   1    
     207   .   1   .   1   17   17   VAL   CG1    C   13   21.080    0.000   .   .   .   .   .   .   A   17   VAL   CG1    .   30945   1    
     208   .   1   .   1   17   17   VAL   CG2    C   13   21.165    0.000   .   .   .   .   .   .   A   17   VAL   CG2    .   30945   1    
     209   .   1   .   1   17   17   VAL   N      N   15   116.667   0.000   .   .   .   .   .   .   A   17   VAL   N      .   30945   1    
     210   .   1   .   1   18   18   NH2   HN1    H   1    7.208     0.000   .   .   .   .   .   .   A   18   NH2   HN1    .   30945   1    
     211   .   1   .   1   18   18   NH2   HN2    H   1    6.924     0.000   .   .   .   .   .   .   A   18   NH2   HN2    .   30945   1    

   stop_

save_