###################################
     #  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_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_2
   _Assigned_chem_shift_list.Entry_ID                     50630
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         hingeTbPKAr2
   _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   '1D 1H'            .   .   .   50630   1    
     2   '2D 1H-13C HSQC'   .   .   .   50630   1    
     3   '2D 1H-1H TOCSY'   .   .   .   50630   1    
     4   '2D 1H-1H COSY'    .   .   .   50630   1    
     5   '2D 1H-1H NOESY'   .   .   .   50630   1    

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

     1   $software_1   .   .   50630   1    
     2   $software_2   .   .   50630   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    4.049    0.02   .   1   .   .   .   .   .   198   GLY   HA2    .   50630   1    
     2     .   1   .   1   1    1    GLY   HA3    H   1    4.049    0.02   .   1   .   .   .   .   .   198   GLY   HA3    .   50630   1    
     3     .   1   .   1   1    1    GLY   CA     C   13   44.800   0.02   .   1   .   .   .   .   .   198   GLY   CA     .   50630   1    
     4     .   1   .   1   2    2    GLY   H      H   1    8.664    0.02   .   1   .   .   .   .   .   199   GLY   H      .   50630   1    
     5     .   1   .   1   2    2    GLY   HA2    H   1    4.014    0.02   .   1   .   .   .   .   .   199   GLY   HA2    .   50630   1    
     6     .   1   .   1   2    2    GLY   HA3    H   1    4.014    0.02   .   1   .   .   .   .   .   199   GLY   HA3    .   50630   1    
     7     .   1   .   1   2    2    GLY   CA     C   13   44.800   0.02   .   1   .   .   .   .   .   199   GLY   CA     .   50630   1    
     8     .   1   .   1   3    3    ARG   H      H   1    8.522    0.02   .   1   .   .   .   .   .   200   ARG   H      .   50630   1    
     9     .   1   .   1   3    3    ARG   HA     H   1    4.248    0.02   .   1   .   .   .   .   .   200   ARG   HA     .   50630   1    
     10    .   1   .   1   3    3    ARG   HB2    H   1    1.793    0.02   .   2   .   .   .   .   .   200   ARG   HB2    .   50630   1    
     11    .   1   .   1   3    3    ARG   HB3    H   1    1.738    0.02   .   2   .   .   .   .   .   200   ARG   HB3    .   50630   1    
     12    .   1   .   1   3    3    ARG   HG2    H   1    1.625    0.02   .   2   .   .   .   .   .   200   ARG   HG2    .   50630   1    
     13    .   1   .   1   3    3    ARG   HG3    H   1    1.625    0.02   .   2   .   .   .   .   .   200   ARG   HG3    .   50630   1    
     14    .   1   .   1   3    3    ARG   HD2    H   1    3.191    0.02   .   2   .   .   .   .   .   200   ARG   HD2    .   50630   1    
     15    .   1   .   1   3    3    ARG   HD3    H   1    3.191    0.02   .   2   .   .   .   .   .   200   ARG   HD3    .   50630   1    
     16    .   1   .   1   3    3    ARG   HE     H   1    7.271    0.02   .   1   .   .   .   .   .   200   ARG   HE     .   50630   1    
     17    .   1   .   1   3    3    ARG   CA     C   13   56.440   0.02   .   1   .   .   .   .   .   200   ARG   CA     .   50630   1    
     18    .   1   .   1   3    3    ARG   CB     C   13   30.630   0.02   .   1   .   .   .   .   .   200   ARG   CB     .   50630   1    
     19    .   1   .   1   4    4    LYS   H      H   1    8.623    0.02   .   1   .   .   .   .   .   201   LYS   H      .   50630   1    
     20    .   1   .   1   4    4    LYS   HA     H   1    4.233    0.02   .   1   .   .   .   .   .   201   LYS   HA     .   50630   1    
     21    .   1   .   1   4    4    LYS   HB2    H   1    1.856    0.02   .   2   .   .   .   .   .   201   LYS   HB2    .   50630   1    
     22    .   1   .   1   4    4    LYS   HB3    H   1    1.768    0.02   .   2   .   .   .   .   .   201   LYS   HB3    .   50630   1    
     23    .   1   .   1   4    4    LYS   HG2    H   1    1.437    0.02   .   2   .   .   .   .   .   201   LYS   HG2    .   50630   1    
     24    .   1   .   1   4    4    LYS   HG3    H   1    1.437    0.02   .   2   .   .   .   .   .   201   LYS   HG3    .   50630   1    
     25    .   1   .   1   4    4    LYS   HD2    H   1    1.675    0.02   .   1   .   .   .   .   .   201   LYS   HD2    .   50630   1    
     26    .   1   .   1   4    4    LYS   HD3    H   1    1.675    0.02   .   1   .   .   .   .   .   201   LYS   HD3    .   50630   1    
     27    .   1   .   1   4    4    LYS   HE2    H   1    2.973    0.02   .   1   .   .   .   .   .   201   LYS   HE2    .   50630   1    
     28    .   1   .   1   4    4    LYS   HE3    H   1    2.973    0.02   .   1   .   .   .   .   .   201   LYS   HE3    .   50630   1    
     29    .   1   .   1   4    4    LYS   HZ1    H   1    7.618    0.02   .   1   .   .   .   .   .   201   LYS   HZ1    .   50630   1    
     30    .   1   .   1   4    4    LYS   HZ2    H   1    7.618    0.02   .   1   .   .   .   .   .   201   LYS   HZ2    .   50630   1    
     31    .   1   .   1   4    4    LYS   HZ3    H   1    7.618    0.02   .   1   .   .   .   .   .   201   LYS   HZ3    .   50630   1    
     32    .   1   .   1   4    4    LYS   CA     C   13   56.510   0.02   .   1   .   .   .   .   .   201   LYS   CA     .   50630   1    
     33    .   1   .   1   4    4    LYS   CB     C   13   32.900   0.02   .   1   .   .   .   .   .   201   LYS   CB     .   50630   1    
     34    .   1   .   1   5    5    ARG   H      H   1    8.538    0.02   .   1   .   .   .   .   .   202   ARG   H      .   50630   1    
     35    .   1   .   1   5    5    ARG   HA     H   1    4.307    0.02   .   1   .   .   .   .   .   202   ARG   HA     .   50630   1    
     36    .   1   .   1   5    5    ARG   HB2    H   1    1.791    0.02   .   2   .   .   .   .   .   202   ARG   HB2    .   50630   1    
     37    .   1   .   1   5    5    ARG   HB3    H   1    1.736    0.02   .   2   .   .   .   .   .   202   ARG   HB3    .   50630   1    
     38    .   1   .   1   5    5    ARG   HG2    H   1    1.625    0.02   .   2   .   .   .   .   .   202   ARG   HG2    .   50630   1    
     39    .   1   .   1   5    5    ARG   HG3    H   1    1.625    0.02   .   2   .   .   .   .   .   202   ARG   HG3    .   50630   1    
     40    .   1   .   1   5    5    ARG   HD2    H   1    3.190    0.02   .   2   .   .   .   .   .   202   ARG   HD2    .   50630   1    
     41    .   1   .   1   5    5    ARG   HD3    H   1    3.190    0.02   .   2   .   .   .   .   .   202   ARG   HD3    .   50630   1    
     42    .   1   .   1   5    5    ARG   HE     H   1    7.245    0.02   .   1   .   .   .   .   .   202   ARG   HE     .   50630   1    
     43    .   1   .   1   5    5    ARG   CA     C   13   56.090   0.02   .   1   .   .   .   .   .   202   ARG   CA     .   50630   1    
     44    .   1   .   1   5    5    ARG   CB     C   13   30.640   0.02   .   1   .   .   .   .   .   202   ARG   CB     .   50630   1    
     45    .   1   .   1   6    6    ARG   H      H   1    8.697    0.02   .   1   .   .   .   .   .   203   ARG   H      .   50630   1    
     46    .   1   .   1   6    6    ARG   HA     H   1    4.392    0.02   .   1   .   .   .   .   .   203   ARG   HA     .   50630   1    
     47    .   1   .   1   6    6    ARG   HB2    H   1    1.849    0.02   .   2   .   .   .   .   .   203   ARG   HB2    .   50630   1    
     48    .   1   .   1   6    6    ARG   HB3    H   1    1.775    0.02   .   2   .   .   .   .   .   203   ARG   HB3    .   50630   1    
     49    .   1   .   1   6    6    ARG   HG2    H   1    1.669    0.02   .   2   .   .   .   .   .   203   ARG   HG2    .   50630   1    
     50    .   1   .   1   6    6    ARG   HG3    H   1    1.621    0.02   .   2   .   .   .   .   .   203   ARG   HG3    .   50630   1    
     51    .   1   .   1   6    6    ARG   HD2    H   1    3.191    0.02   .   2   .   .   .   .   .   203   ARG   HD2    .   50630   1    
     52    .   1   .   1   6    6    ARG   HD3    H   1    3.191    0.02   .   2   .   .   .   .   .   203   ARG   HD3    .   50630   1    
     53    .   1   .   1   6    6    ARG   HE     H   1    7.261    0.02   .   1   .   .   .   .   .   203   ARG   HE     .   50630   1    
     54    .   1   .   1   6    6    ARG   CA     C   13   56.190   0.02   .   1   .   .   .   .   .   203   ARG   CA     .   50630   1    
     55    .   1   .   1   6    6    ARG   CB     C   13   30.640   0.02   .   1   .   .   .   .   .   203   ARG   CB     .   50630   1    
     56    .   1   .   1   7    7    THR   H      H   1    8.475    0.02   .   1   .   .   .   .   .   204   THR   H      .   50630   1    
     57    .   1   .   1   7    7    THR   HA     H   1    4.433    0.02   .   1   .   .   .   .   .   204   THR   HA     .   50630   1    
     58    .   1   .   1   7    7    THR   HB     H   1    4.206    0.02   .   1   .   .   .   .   .   204   THR   HB     .   50630   1    
     59    .   1   .   1   7    7    THR   HG21   H   1    1.193    0.02   .   1   .   .   .   .   .   204   THR   HG21   .   50630   1    
     60    .   1   .   1   7    7    THR   HG22   H   1    1.193    0.02   .   1   .   .   .   .   .   204   THR   HG22   .   50630   1    
     61    .   1   .   1   7    7    THR   HG23   H   1    1.193    0.02   .   1   .   .   .   .   .   204   THR   HG23   .   50630   1    
     62    .   1   .   1   7    7    THR   CA     C   13   61.710   0.02   .   1   .   .   .   .   .   204   THR   CA     .   50630   1    
     63    .   1   .   1   7    7    THR   CB     C   13   70.020   0.02   .   1   .   .   .   .   .   204   THR   CB     .   50630   1    
     64    .   1   .   1   8    8    THR   H      H   1    8.387    0.02   .   1   .   .   .   .   .   205   THR   H      .   50630   1    
     65    .   1   .   1   8    8    THR   HA     H   1    4.393    0.02   .   1   .   .   .   .   .   205   THR   HA     .   50630   1    
     66    .   1   .   1   8    8    THR   HB     H   1    4.208    0.02   .   1   .   .   .   .   .   205   THR   HB     .   50630   1    
     67    .   1   .   1   8    8    THR   HG21   H   1    1.180    0.02   .   1   .   .   .   .   .   205   THR   HG21   .   50630   1    
     68    .   1   .   1   8    8    THR   HG22   H   1    1.180    0.02   .   1   .   .   .   .   .   205   THR   HG22   .   50630   1    
     69    .   1   .   1   8    8    THR   HG23   H   1    1.180    0.02   .   1   .   .   .   .   .   205   THR   HG23   .   50630   1    
     70    .   1   .   1   8    8    THR   CA     C   13   61.690   0.02   .   1   .   .   .   .   .   205   THR   CA     .   50630   1    
     71    .   1   .   1   8    8    THR   CB     C   13   70.020   0.02   .   1   .   .   .   .   .   205   THR   CB     .   50630   1    
     72    .   1   .   1   9    9    VAL   H      H   1    8.415    0.02   .   1   .   .   .   .   .   206   VAL   H      .   50630   1    
     73    .   1   .   1   9    9    VAL   HA     H   1    4.105    0.02   .   1   .   .   .   .   .   206   VAL   HA     .   50630   1    
     74    .   1   .   1   9    9    VAL   HB     H   1    2.053    0.02   .   1   .   .   .   .   .   206   VAL   HB     .   50630   1    
     75    .   1   .   1   9    9    VAL   HG11   H   1    0.926    0.02   .   1   .   .   .   .   .   206   VAL   HG11   .   50630   1    
     76    .   1   .   1   9    9    VAL   HG12   H   1    0.926    0.02   .   1   .   .   .   .   .   206   VAL   HG12   .   50630   1    
     77    .   1   .   1   9    9    VAL   HG13   H   1    0.926    0.02   .   1   .   .   .   .   .   206   VAL   HG13   .   50630   1    
     78    .   1   .   1   9    9    VAL   CA     C   13   62.390   0.02   .   1   .   .   .   .   .   206   VAL   CA     .   50630   1    
     79    .   1   .   1   9    9    VAL   CB     C   13   32.940   0.02   .   1   .   .   .   .   .   206   VAL   CB     .   50630   1    
     80    .   1   .   1   10   10   ARG   H      H   1    8.627    0.02   .   1   .   .   .   .   .   207   ARG   H      .   50630   1    
     81    .   1   .   1   10   10   ARG   HA     H   1    4.290    0.02   .   1   .   .   .   .   .   207   ARG   HA     .   50630   1    
     82    .   1   .   1   10   10   ARG   HB2    H   1    1.837    0.02   .   2   .   .   .   .   .   207   ARG   HB2    .   50630   1    
     83    .   1   .   1   10   10   ARG   HB3    H   1    1.766    0.02   .   2   .   .   .   .   .   207   ARG   HB3    .   50630   1    
     84    .   1   .   1   10   10   ARG   HG2    H   1    1.641    0.02   .   2   .   .   .   .   .   207   ARG   HG2    .   50630   1    
     85    .   1   .   1   10   10   ARG   HG3    H   1    1.641    0.02   .   2   .   .   .   .   .   207   ARG   HG3    .   50630   1    
     86    .   1   .   1   10   10   ARG   HD2    H   1    3.191    0.02   .   2   .   .   .   .   .   207   ARG   HD2    .   50630   1    
     87    .   1   .   1   10   10   ARG   HD3    H   1    3.191    0.02   .   2   .   .   .   .   .   207   ARG   HD3    .   50630   1    
     88    .   1   .   1   10   10   ARG   HE     H   1    7.295    0.02   .   1   .   .   .   .   .   207   ARG   HE     .   50630   1    
     89    .   1   .   1   10   10   ARG   CA     C   13   56.440   0.02   .   1   .   .   .   .   .   207   ARG   CA     .   50630   1    
     90    .   1   .   1   10   10   ARG   CB     C   13   30.620   0.02   .   1   .   .   .   .   .   207   ARG   CB     .   50630   1    
     91    .   1   .   1   11   11   GLY   H      H   1    8.633    0.02   .   1   .   .   .   .   .   208   GLY   H      .   50630   1    
     92    .   1   .   1   11   11   GLY   HA2    H   1    3.989    0.02   .   1   .   .   .   .   .   208   GLY   HA2    .   50630   1    
     93    .   1   .   1   11   11   GLY   HA3    H   1    3.881    0.02   .   1   .   .   .   .   .   208   GLY   HA3    .   50630   1    
     94    .   1   .   1   11   11   GLY   CA     C   13   45.190   0.02   .   1   .   .   .   .   .   208   GLY   CA     .   50630   1    
     95    .   1   .   1   12   12   GLU   H      H   1    8.373    0.02   .   1   .   .   .   .   .   209   GLU   H      .   50630   1    
     96    .   1   .   1   12   12   GLU   HA     H   1    4.317    0.02   .   1   .   .   .   .   .   209   GLU   HA     .   50630   1    
     97    .   1   .   1   12   12   GLU   HB2    H   1    2.088    0.02   .   2   .   .   .   .   .   209   GLU   HB2    .   50630   1    
     98    .   1   .   1   12   12   GLU   HB3    H   1    1.957    0.02   .   2   .   .   .   .   .   209   GLU   HB3    .   50630   1    
     99    .   1   .   1   12   12   GLU   HG2    H   1    2.273    0.02   .   2   .   .   .   .   .   209   GLU   HG2    .   50630   1    
     100   .   1   .   1   12   12   GLU   HG3    H   1    2.273    0.02   .   2   .   .   .   .   .   209   GLU   HG3    .   50630   1    
     101   .   1   .   1   12   12   GLU   CA     C   13   56.520   0.02   .   1   .   .   .   .   .   209   GLU   CA     .   50630   1    
     102   .   1   .   1   12   12   GLU   CB     C   13   30.320   0.02   .   1   .   .   .   .   .   209   GLU   CB     .   50630   1    
     103   .   1   .   1   13   13   GLY   H      H   1    8.631    0.02   .   1   .   .   .   .   .   210   GLY   H      .   50630   1    
     104   .   1   .   1   13   13   GLY   HA2    H   1    3.934    0.02   .   1   .   .   .   .   .   210   GLY   HA2    .   50630   1    
     105   .   1   .   1   13   13   GLY   HA3    H   1    3.812    0.02   .   1   .   .   .   .   .   210   GLY   HA3    .   50630   1    
     106   .   1   .   1   13   13   GLY   CA     C   13   45.200   0.02   .   1   .   .   .   .   .   210   GLY   CA     .   50630   1    
     107   .   1   .   1   14   14   ILE   H      H   1    8.098    0.02   .   1   .   .   .   .   .   211   ILE   H      .   50630   1    
     108   .   1   .   1   14   14   ILE   HA     H   1    4.141    0.02   .   1   .   .   .   .   .   211   ILE   HA     .   50630   1    
     109   .   1   .   1   14   14   ILE   HB     H   1    1.800    0.02   .   1   .   .   .   .   .   211   ILE   HB     .   50630   1    
     110   .   1   .   1   14   14   ILE   HG12   H   1    1.401    0.02   .   1   .   .   .   .   .   211   ILE   HG12   .   50630   1    
     111   .   1   .   1   14   14   ILE   HG13   H   1    1.118    0.02   .   1   .   .   .   .   .   211   ILE   HG13   .   50630   1    
     112   .   1   .   1   14   14   ILE   HG21   H   1    0.850    0.02   .   1   .   .   .   .   .   211   ILE   HG21   .   50630   1    
     113   .   1   .   1   14   14   ILE   HG22   H   1    0.850    0.02   .   1   .   .   .   .   .   211   ILE   HG22   .   50630   1    
     114   .   1   .   1   14   14   ILE   HG23   H   1    0.850    0.02   .   1   .   .   .   .   .   211   ILE   HG23   .   50630   1    
     115   .   1   .   1   14   14   ILE   HD11   H   1    0.821    0.02   .   1   .   .   .   .   .   211   ILE   HD11   .   50630   1    
     116   .   1   .   1   14   14   ILE   HD12   H   1    0.821    0.02   .   1   .   .   .   .   .   211   ILE   HD12   .   50630   1    
     117   .   1   .   1   14   14   ILE   HD13   H   1    0.821    0.02   .   1   .   .   .   .   .   211   ILE   HD13   .   50630   1    
     118   .   1   .   1   14   14   ILE   CA     C   13   62.140   0.02   .   1   .   .   .   .   .   211   ILE   CA     .   50630   1    
     119   .   1   .   1   14   14   ILE   CB     C   13   38.970   0.02   .   1   .   .   .   .   .   211   ILE   CB     .   50630   1    
     120   .   1   .   1   15   15   ASP   H      H   1    8.660    0.02   .   1   .   .   .   .   .   212   ASP   H      .   50630   1    
     121   .   1   .   1   15   15   ASP   HA     H   1    4.861    0.02   .   1   .   .   .   .   .   212   ASP   HA     .   50630   1    
     122   .   1   .   1   15   15   ASP   HB2    H   1    2.771    0.02   .   2   .   .   .   .   .   212   ASP   HB2    .   50630   1    
     123   .   1   .   1   15   15   ASP   HB3    H   1    2.562    0.02   .   2   .   .   .   .   .   212   ASP   HB3    .   50630   1    
     124   .   1   .   1   15   15   ASP   CA     C   13   52.100   0.02   .   1   .   .   .   .   .   212   ASP   CA     .   50630   1    
     125   .   1   .   1   15   15   ASP   CB     C   13   41.070   0.02   .   1   .   .   .   .   .   212   ASP   CB     .   50630   1    
     126   .   1   .   1   16   16   PRO   HA     H   1    4.359    0.02   .   1   .   .   .   .   .   213   PRO   HA     .   50630   1    
     127   .   1   .   1   16   16   PRO   HB2    H   1    2.303    0.02   .   2   .   .   .   .   .   213   PRO   HB2    .   50630   1    
     128   .   1   .   1   16   16   PRO   HB3    H   1    1.825    0.02   .   2   .   .   .   .   .   213   PRO   HB3    .   50630   1    
     129   .   1   .   1   16   16   PRO   HG2    H   1    2.032    0.02   .   2   .   .   .   .   .   213   PRO   HG2    .   50630   1    
     130   .   1   .   1   16   16   PRO   HG3    H   1    1.963    0.02   .   2   .   .   .   .   .   213   PRO   HG3    .   50630   1    
     131   .   1   .   1   16   16   PRO   HD2    H   1    3.922    0.02   .   2   .   .   .   .   .   213   PRO   HD2    .   50630   1    
     132   .   1   .   1   16   16   PRO   HD3    H   1    3.851    0.02   .   2   .   .   .   .   .   213   PRO   HD3    .   50630   1    
     133   .   1   .   1   16   16   PRO   CA     C   13   63.790   0.02   .   1   .   .   .   .   .   213   PRO   CA     .   50630   1    
     134   .   1   .   1   16   16   PRO   CB     C   13   32.260   0.02   .   1   .   .   .   .   .   213   PRO   CB     .   50630   1    
     135   .   1   .   1   17   17   GLU   H      H   1    8.527    0.02   .   1   .   .   .   .   .   214   GLU   H      .   50630   1    
     136   .   1   .   1   17   17   GLU   HA     H   1    4.129    0.02   .   1   .   .   .   .   .   214   GLU   HA     .   50630   1    
     137   .   1   .   1   17   17   GLU   HB2    H   1    2.035    0.02   .   2   .   .   .   .   .   214   GLU   HB2    .   50630   1    
     138   .   1   .   1   17   17   GLU   HB3    H   1    1.960    0.02   .   2   .   .   .   .   .   214   GLU   HB3    .   50630   1    
     139   .   1   .   1   17   17   GLU   HG2    H   1    2.313    0.02   .   2   .   .   .   .   .   214   GLU   HG2    .   50630   1    
     140   .   1   .   1   17   17   GLU   HG3    H   1    2.241    0.02   .   2   .   .   .   .   .   214   GLU   HG3    .   50630   1    
     141   .   1   .   1   17   17   GLU   CA     C   13   56.960   0.02   .   1   .   .   .   .   .   214   GLU   CA     .   50630   1    
     142   .   1   .   1   17   17   GLU   CB     C   13   29.660   0.02   .   1   .   .   .   .   .   214   GLU   CB     .   50630   1    
     143   .   1   .   1   18   18   LYS   H      H   1    8.074    0.02   .   1   .   .   .   .   .   215   LYS   H      .   50630   1    
     144   .   1   .   1   18   18   LYS   HA     H   1    4.223    0.02   .   1   .   .   .   .   .   215   LYS   HA     .   50630   1    
     145   .   1   .   1   18   18   LYS   HB2    H   1    1.841    0.02   .   2   .   .   .   .   .   215   LYS   HB2    .   50630   1    
     146   .   1   .   1   18   18   LYS   HB3    H   1    1.765    0.02   .   2   .   .   .   .   .   215   LYS   HB3    .   50630   1    
     147   .   1   .   1   18   18   LYS   HG2    H   1    1.432    0.02   .   2   .   .   .   .   .   215   LYS   HG2    .   50630   1    
     148   .   1   .   1   18   18   LYS   HG3    H   1    1.432    0.02   .   2   .   .   .   .   .   215   LYS   HG3    .   50630   1    
     149   .   1   .   1   18   18   LYS   HD2    H   1    1.657    0.02   .   1   .   .   .   .   .   215   LYS   HD2    .   50630   1    
     150   .   1   .   1   18   18   LYS   HD3    H   1    1.657    0.02   .   1   .   .   .   .   .   215   LYS   HD3    .   50630   1    
     151   .   1   .   1   18   18   LYS   HE2    H   1    2.988    0.02   .   1   .   .   .   .   .   215   LYS   HE2    .   50630   1    
     152   .   1   .   1   18   18   LYS   HE3    H   1    2.988    0.02   .   1   .   .   .   .   .   215   LYS   HE3    .   50630   1    
     153   .   1   .   1   18   18   LYS   HZ1    H   1    7.616    0.02   .   1   .   .   .   .   .   215   LYS   HZ1    .   50630   1    
     154   .   1   .   1   18   18   LYS   HZ2    H   1    7.616    0.02   .   1   .   .   .   .   .   215   LYS   HZ2    .   50630   1    
     155   .   1   .   1   18   18   LYS   HZ3    H   1    7.616    0.02   .   1   .   .   .   .   .   215   LYS   HZ3    .   50630   1    
     156   .   1   .   1   18   18   LYS   CA     C   13   56.590   0.02   .   1   .   .   .   .   .   215   LYS   CA     .   50630   1    
     157   .   1   .   1   18   18   LYS   CB     C   13   33.040   0.02   .   1   .   .   .   .   .   215   LYS   CB     .   50630   1    
     158   .   1   .   1   19   19   ALA   H      H   1    8.228    0.02   .   1   .   .   .   .   .   216   ALA   H      .   50630   1    
     159   .   1   .   1   19   19   ALA   HA     H   1    4.231    0.02   .   1   .   .   .   .   .   216   ALA   HA     .   50630   1    
     160   .   1   .   1   19   19   ALA   HB1    H   1    1.391    0.02   .   1   .   .   .   .   .   216   ALA   HB#    .   50630   1    
     161   .   1   .   1   19   19   ALA   HB2    H   1    1.391    0.02   .   1   .   .   .   .   .   216   ALA   HB#    .   50630   1    
     162   .   1   .   1   19   19   ALA   HB3    H   1    1.391    0.02   .   1   .   .   .   .   .   216   ALA   HB#    .   50630   1    
     163   .   1   .   1   19   19   ALA   CA     C   13   52.800   0.02   .   1   .   .   .   .   .   216   ALA   CA     .   50630   1    
     164   .   1   .   1   19   19   ALA   CB     C   13   19.080   0.02   .   1   .   .   .   .   .   216   ALA   CB     .   50630   1    
     165   .   1   .   1   20   20   LYS   H      H   1    8.340    0.02   .   1   .   .   .   .   .   217   LYS   H      .   50630   1    
     166   .   1   .   1   20   20   LYS   HA     H   1    4.254    0.02   .   1   .   .   .   .   .   217   LYS   HA     .   50630   1    
     167   .   1   .   1   20   20   LYS   HB2    H   1    1.816    0.02   .   2   .   .   .   .   .   217   LYS   HB2    .   50630   1    
     168   .   1   .   1   20   20   LYS   HB3    H   1    1.758    0.02   .   2   .   .   .   .   .   217   LYS   HB3    .   50630   1    
     169   .   1   .   1   20   20   LYS   HG2    H   1    1.460    0.02   .   2   .   .   .   .   .   217   LYS   HG2    .   50630   1    
     170   .   1   .   1   20   20   LYS   HG3    H   1    1.460    0.02   .   2   .   .   .   .   .   217   LYS   HG3    .   50630   1    
     171   .   1   .   1   20   20   LYS   HD2    H   1    1.674    0.02   .   1   .   .   .   .   .   217   LYS   HD2    .   50630   1    
     172   .   1   .   1   20   20   LYS   HD3    H   1    1.674    0.02   .   1   .   .   .   .   .   217   LYS   HD3    .   50630   1    
     173   .   1   .   1   20   20   LYS   HE2    H   1    2.979    0.02   .   1   .   .   .   .   .   217   LYS   HE2    .   50630   1    
     174   .   1   .   1   20   20   LYS   HE3    H   1    2.979    0.02   .   1   .   .   .   .   .   217   LYS   HE3    .   50630   1    
     175   .   1   .   1   20   20   LYS   HZ1    H   1    7.619    0.02   .   1   .   .   .   .   .   217   LYS   HZ1    .   50630   1    
     176   .   1   .   1   20   20   LYS   HZ2    H   1    7.619    0.02   .   1   .   .   .   .   .   217   LYS   HZ2    .   50630   1    
     177   .   1   .   1   20   20   LYS   HZ3    H   1    7.619    0.02   .   1   .   .   .   .   .   217   LYS   HZ3    .   50630   1    
     178   .   1   .   1   20   20   LYS   CA     C   13   56.660   0.02   .   1   .   .   .   .   .   217   LYS   CA     .   50630   1    
     179   .   1   .   1   20   20   LYS   CB     C   13   33.170   0.02   .   1   .   .   .   .   .   217   LYS   CB     .   50630   1    
     180   .   1   .   1   21   21   SER   H      H   1    8.243    0.02   .   1   .   .   .   .   .   218   SER   H      .   50630   1    
     181   .   1   .   1   21   21   SER   HA     H   1    4.409    0.02   .   1   .   .   .   .   .   218   SER   HA     .   50630   1    
     182   .   1   .   1   21   21   SER   HB2    H   1    3.830    0.02   .   2   .   .   .   .   .   218   SER   HB2    .   50630   1    
     183   .   1   .   1   21   21   SER   HB3    H   1    3.830    0.02   .   2   .   .   .   .   .   218   SER   HB3    .   50630   1    
     184   .   1   .   1   21   21   SER   CA     C   13   58.220   0.02   .   1   .   .   .   .   .   218   SER   CA     .   50630   1    
     185   .   1   .   1   21   21   SER   CB     C   13   63.800   0.02   .   1   .   .   .   .   .   218   SER   CB     .   50630   1    
     186   .   1   .   1   22   22   TYR   H      H   1    8.288    0.02   .   1   .   .   .   .   .   219   TYR   H      .   50630   1    
     187   .   1   .   1   22   22   TYR   HA     H   1    4.477    0.02   .   1   .   .   .   .   .   219   TYR   HA     .   50630   1    
     188   .   1   .   1   22   22   TYR   HB2    H   1    3.035    0.02   .   2   .   .   .   .   .   219   TYR   HB2    .   50630   1    
     189   .   1   .   1   22   22   TYR   HB3    H   1    2.886    0.02   .   2   .   .   .   .   .   219   TYR   HB3    .   50630   1    
     190   .   1   .   1   22   22   TYR   HD1    H   1    7.071    0.02   .   3   .   .   .   .   .   219   TYR   HD1    .   50630   1    
     191   .   1   .   1   22   22   TYR   HD2    H   1    7.071    0.02   .   3   .   .   .   .   .   219   TYR   HD2    .   50630   1    
     192   .   1   .   1   22   22   TYR   HE1    H   1    6.776    0.02   .   3   .   .   .   .   .   219   TYR   HE1    .   50630   1    
     193   .   1   .   1   22   22   TYR   HE2    H   1    6.776    0.02   .   3   .   .   .   .   .   219   TYR   HE2    .   50630   1    
     194   .   1   .   1   22   22   TYR   CA     C   13   58.520   0.02   .   1   .   .   .   .   .   219   TYR   CA     .   50630   1    
     195   .   1   .   1   22   22   TYR   CB     C   13   39.030   0.02   .   1   .   .   .   .   .   219   TYR   CB     .   50630   1    
     196   .   1   .   1   23   23   VAL   H      H   1    7.894    0.02   .   1   .   .   .   .   .   220   VAL   H      .   50630   1    
     197   .   1   .   1   23   23   VAL   HA     H   1    3.904    0.02   .   1   .   .   .   .   .   220   VAL   HA     .   50630   1    
     198   .   1   .   1   23   23   VAL   HB     H   1    1.826    0.02   .   1   .   .   .   .   .   220   VAL   HB     .   50630   1    
     199   .   1   .   1   23   23   VAL   HG11   H   1    0.837    0.02   .   2   .   .   .   .   .   220   VAL   HG11   .   50630   1    
     200   .   1   .   1   23   23   VAL   HG12   H   1    0.837    0.02   .   2   .   .   .   .   .   220   VAL   HG12   .   50630   1    
     201   .   1   .   1   23   23   VAL   HG13   H   1    0.837    0.02   .   2   .   .   .   .   .   220   VAL   HG13   .   50630   1    
     202   .   1   .   1   23   23   VAL   CA     C   13   61.350   0.02   .   1   .   .   .   .   .   220   VAL   CA     .   50630   1    
     203   .   1   .   1   23   23   VAL   CB     C   13   33.370   0.02   .   1   .   .   .   .   .   220   VAL   CB     .   50630   1    
     204   .   1   .   1   24   24   ALA   H      H   1    8.432    0.02   .   1   .   .   .   .   .   221   ALA   H      .   50630   1    
     205   .   1   .   1   24   24   ALA   HA     H   1    4.351    0.02   .   1   .   .   .   .   .   221   ALA   HA     .   50630   1    
     206   .   1   .   1   24   24   ALA   HB1    H   1    1.335    0.02   .   1   .   .   .   .   .   221   ALA   MB     .   50630   1    
     207   .   1   .   1   24   24   ALA   HB2    H   1    1.335    0.02   .   1   .   .   .   .   .   221   ALA   MB     .   50630   1    
     208   .   1   .   1   24   24   ALA   HB3    H   1    1.335    0.02   .   1   .   .   .   .   .   221   ALA   MB     .   50630   1    
     209   .   1   .   1   24   24   ALA   CA     C   13   56.420   0.02   .   1   .   .   .   .   .   221   ALA   CA     .   50630   1    
     210   .   1   .   1   24   24   ALA   CB     C   13   19.090   0.02   .   1   .   .   .   .   .   221   ALA   CB     .   50630   1    
     211   .   1   .   1   25   25   PRO   HA     H   1    4.332    0.02   .   1   .   .   .   .   .   222   PRO   HA     .   50630   1    
     212   .   1   .   1   25   25   PRO   HB2    H   1    2.212    0.02   .   2   .   .   .   .   .   222   PRO   HB2    .   50630   1    
     213   .   1   .   1   25   25   PRO   HB3    H   1    1.795    0.02   .   2   .   .   .   .   .   222   PRO   HB3    .   50630   1    
     214   .   1   .   1   25   25   PRO   HG2    H   1    2.015    0.02   .   2   .   .   .   .   .   222   PRO   HG2    .   50630   1    
     215   .   1   .   1   25   25   PRO   HG3    H   1    1.984    0.02   .   2   .   .   .   .   .   222   PRO   HG3    .   50630   1    
     216   .   1   .   1   25   25   PRO   HD2    H   1    3.649    0.02   .   2   .   .   .   .   .   222   PRO   HD2    .   50630   1    
     217   .   1   .   1   25   25   PRO   HD3    H   1    3.823    0.02   .   2   .   .   .   .   .   222   PRO   HD3    .   50630   1    
     218   .   1   .   1   25   25   PRO   CA     C   13   63.020   0.02   .   1   .   .   .   .   .   222   PRO   CA     .   50630   1    
     219   .   1   .   1   25   25   PRO   CB     C   13   31.950   0.02   .   1   .   .   .   .   .   222   PRO   CB     .   50630   1    
     220   .   1   .   1   26   26   TYR   H      H   1    8.225    0.02   .   1   .   .   .   .   .   223   TYR   H      .   50630   1    
     221   .   1   .   1   26   26   TYR   HA     H   1    4.452    0.02   .   1   .   .   .   .   .   223   TYR   HA     .   50630   1    
     222   .   1   .   1   26   26   TYR   HB2    H   1    3.005    0.02   .   2   .   .   .   .   .   223   TYR   HB2    .   50630   1    
     223   .   1   .   1   26   26   TYR   HB3    H   1    3.005    0.02   .   2   .   .   .   .   .   223   TYR   HB3    .   50630   1    
     224   .   1   .   1   26   26   TYR   HD1    H   1    7.146    0.02   .   3   .   .   .   .   .   223   TYR   HD1    .   50630   1    
     225   .   1   .   1   26   26   TYR   HD2    H   1    7.146    0.02   .   3   .   .   .   .   .   223   TYR   HD2    .   50630   1    
     226   .   1   .   1   26   26   TYR   HE1    H   1    6.834    0.02   .   3   .   .   .   .   .   223   TYR   HE1    .   50630   1    
     227   .   1   .   1   26   26   TYR   HE2    H   1    6.834    0.02   .   3   .   .   .   .   .   223   TYR   HE2    .   50630   1    
     228   .   1   .   1   26   26   TYR   CA     C   13   57.650   0.02   .   1   .   .   .   .   .   223   TYR   CA     .   50630   1    
     229   .   1   .   1   26   26   TYR   CB     C   13   38.640   0.02   .   1   .   .   .   .   .   223   TYR   CB     .   50630   1    

   stop_

save_