###################################
     #  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                     51124
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         p53_TAD_1_94_backbone_1H_15N_assignment
   _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

     2   '3D CBCACONH'    .   .   .   51124   1    
     3   '3D HNCACB'      .   .   .   51124   1    
     4   '3D HN(CA)NNH'   .   .   .   51124   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   .   .   51124   1    
     2   $software_2   .   .   51124   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    MET   N   N   15   119.018   0.043   .   .   .   .   .   .   .   1    M   N    .   51124   1    
     2     .   1   .   1   2    2    GLU   H   H   1    8.282     0.002   .   .   .   .   .   .   .   2    E   HN   .   51124   1    
     3     .   1   .   1   2    2    GLU   N   N   15   121.702   0.034   .   .   .   .   .   .   .   2    E   N    .   51124   1    
     4     .   1   .   1   3    3    GLU   H   H   1    8.277     0.006   .   .   .   .   .   .   .   3    E   HN   .   51124   1    
     5     .   1   .   1   3    3    GLU   N   N   15   123.302   0.037   .   .   .   .   .   .   .   3    E   N    .   51124   1    
     6     .   1   .   1   5    5    GLN   H   H   1    8.470     0.004   .   .   .   .   .   .   .   5    Q   HN   .   51124   1    
     7     .   1   .   1   5    5    GLN   N   N   15   120.912   0.047   .   .   .   .   .   .   .   5    Q   N    .   51124   1    
     8     .   1   .   1   6    6    SER   H   H   1    8.292     0.005   .   .   .   .   .   .   .   6    S   HN   .   51124   1    
     9     .   1   .   1   6    6    SER   N   N   15   117.620   0.053   .   .   .   .   .   .   .   6    S   N    .   51124   1    
     10    .   1   .   1   7    7    ASP   H   H   1    8.353     0.003   .   .   .   .   .   .   .   7    D   HN   .   51124   1    
     11    .   1   .   1   7    7    ASP   N   N   15   123.537   0.014   .   .   .   .   .   .   .   7    D   N    .   51124   1    
     12    .   1   .   1   9    9    SER   H   H   1    8.434     0.002   .   .   .   .   .   .   .   9    S   HN   .   51124   1    
     13    .   1   .   1   9    9    SER   N   N   15   115.931   0.046   .   .   .   .   .   .   .   9    S   N    .   51124   1    
     14    .   1   .   1   10   10   VAL   H   H   1    7.787     0.010   .   .   .   .   .   .   .   10   V   HN   .   51124   1    
     15    .   1   .   1   10   10   VAL   N   N   15   120.974   0.144   .   .   .   .   .   .   .   10   V   N    .   51124   1    
     16    .   1   .   1   11   11   GLU   H   H   1    8.247     0.006   .   .   .   .   .   .   .   11   E   HN   .   51124   1    
     17    .   1   .   1   11   11   GLU   N   N   15   126.051   0.074   .   .   .   .   .   .   .   11   E   N    .   51124   1    
     18    .   1   .   1   14   14   LEU   H   H   1    8.256     0.006   .   .   .   .   .   .   .   14   L   HN   .   51124   1    
     19    .   1   .   1   14   14   LEU   N   N   15   122.340   0.053   .   .   .   .   .   .   .   14   L   N    .   51124   1    
     20    .   1   .   1   15   15   SER   H   H   1    8.246     0.007   .   .   .   .   .   .   .   15   S   HN   .   51124   1    
     21    .   1   .   1   15   15   SER   N   N   15   116.626   0.091   .   .   .   .   .   .   .   15   S   N    .   51124   1    
     22    .   1   .   1   16   16   GLN   H   H   1    8.409     0.003   .   .   .   .   .   .   .   16   Q   HN   .   51124   1    
     23    .   1   .   1   16   16   GLN   N   N   15   122.428   0.032   .   .   .   .   .   .   .   16   Q   N    .   51124   1    
     24    .   1   .   1   17   17   GLU   H   H   1    8.386     0.004   .   .   .   .   .   .   .   17   E   HN   .   51124   1    
     25    .   1   .   1   17   17   GLU   N   N   15   121.851   0.081   .   .   .   .   .   .   .   17   E   N    .   51124   1    
     26    .   1   .   1   18   18   THR   H   H   1    8.019     0.003   .   .   .   .   .   .   .   18   T   HN   .   51124   1    
     27    .   1   .   1   18   18   THR   N   N   15   114.849   0.059   .   .   .   .   .   .   .   18   T   N    .   51124   1    
     28    .   1   .   1   19   19   PHE   H   H   1    8.155     0.002   .   .   .   .   .   .   .   19   F   HN   .   51124   1    
     29    .   1   .   1   19   19   PHE   N   N   15   122.208   0.091   .   .   .   .   .   .   .   19   F   N    .   51124   1    
     30    .   1   .   1   20   20   SER   H   H   1    8.010     0.002   .   .   .   .   .   .   .   20   S   HN   .   51124   1    
     31    .   1   .   1   20   20   SER   N   N   15   116.663   0.080   .   .   .   .   .   .   .   20   S   N    .   51124   1    
     32    .   1   .   1   21   21   ASP   H   H   1    8.193     0.001   .   .   .   .   .   .   .   21   D   HN   .   51124   1    
     33    .   1   .   1   21   21   ASP   N   N   15   122.068   0.042   .   .   .   .   .   .   .   21   D   N    .   51124   1    
     34    .   1   .   1   22   22   LEU   H   H   1    7.854     0.002   .   .   .   .   .   .   .   22   L   HN   .   51124   1    
     35    .   1   .   1   22   22   LEU   N   N   15   121.076   0.057   .   .   .   .   .   .   .   22   L   N    .   51124   1    
     36    .   1   .   1   23   23   TRP   H   H   1    7.766     0.002   .   .   .   .   .   .   .   23   W   HN   .   51124   1    
     37    .   1   .   1   23   23   TRP   N   N   15   119.278   0.078   .   .   .   .   .   .   .   23   W   N    .   51124   1    
     38    .   1   .   1   24   24   LYS   H   H   1    7.491     0.008   .   .   .   .   .   .   .   24   K   HN   .   51124   1    
     39    .   1   .   1   24   24   LYS   N   N   15   120.420   0.117   .   .   .   .   .   .   .   24   K   N    .   51124   1    
     40    .   1   .   1   25   25   LEU   H   H   1    7.741     0.002   .   .   .   .   .   .   .   25   L   HN   .   51124   1    
     41    .   1   .   1   25   25   LEU   N   N   15   120.755   0.022   .   .   .   .   .   .   .   25   L   N    .   51124   1    
     42    .   1   .   1   26   26   LEU   H   H   1    7.833     0.009   .   .   .   .   .   .   .   26   L   HN   .   51124   1    
     43    .   1   .   1   26   26   LEU   N   N   15   123.617   0.131   .   .   .   .   .   .   .   26   L   N    .   51124   1    
     44    .   1   .   1   28   28   GLU   H   H   1    8.619     0.002   .   .   .   .   .   .   .   28   E   HN   .   51124   1    
     45    .   1   .   1   28   28   GLU   N   N   15   119.763   0.054   .   .   .   .   .   .   .   28   E   N    .   51124   1    
     46    .   1   .   1   29   29   ASN   H   H   1    8.204     0.004   .   .   .   .   .   .   .   29   N   HN   .   51124   1    
     47    .   1   .   1   29   29   ASN   N   N   15   118.798   0.099   .   .   .   .   .   .   .   29   N   N    .   51124   1    
     48    .   1   .   1   30   30   ASN   H   H   1    8.199     0.013   .   .   .   .   .   .   .   30   N   HN   .   51124   1    
     49    .   1   .   1   30   30   ASN   N   N   15   119.426   0.214   .   .   .   .   .   .   .   30   N   N    .   51124   1    
     50    .   1   .   1   31   31   VAL   H   H   1    7.939     0.015   .   .   .   .   .   .   .   31   V   HN   .   51124   1    
     51    .   1   .   1   31   31   VAL   N   N   15   120.132   0.091   .   .   .   .   .   .   .   31   V   N    .   51124   1    
     52    .   1   .   1   32   32   LEU   H   H   1    8.208     0.000   .   .   .   .   .   .   .   32   L   HN   .   51124   1    
     53    .   1   .   1   32   32   LEU   N   N   15   125.385   0.000   .   .   .   .   .   .   .   32   L   N    .   51124   1    
     54    .   1   .   1   33   33   SER   H   H   1    8.136     0.013   .   .   .   .   .   .   .   33   S   HN   .   51124   1    
     55    .   1   .   1   33   33   SER   N   N   15   118.025   0.118   .   .   .   .   .   .   .   33   S   N    .   51124   1    
     56    .   1   .   1   35   35   LEU   H   H   1    8.219     0.015   .   .   .   .   .   .   .   35   L   HN   .   51124   1    
     57    .   1   .   1   35   35   LEU   N   N   15   123.624   0.122   .   .   .   .   .   .   .   35   L   N    .   51124   1    
     58    .   1   .   1   37   37   SER   H   H   1    8.254     0.010   .   .   .   .   .   .   .   37   S   HN   .   51124   1    
     59    .   1   .   1   37   37   SER   N   N   15   115.601   0.121   .   .   .   .   .   .   .   37   S   N    .   51124   1    
     60    .   1   .   1   38   38   GLN   H   H   1    8.296     0.003   .   .   .   .   .   .   .   38   Q   HN   .   51124   1    
     61    .   1   .   1   38   38   GLN   N   N   15   122.175   0.023   .   .   .   .   .   .   .   38   Q   N    .   51124   1    
     62    .   1   .   1   39   39   ALA   H   H   1    8.231     0.000   .   .   .   .   .   .   .   39   A   HN   .   51124   1    
     63    .   1   .   1   39   39   ALA   N   N   15   125.033   0.000   .   .   .   .   .   .   .   39   A   N    .   51124   1    
     64    .   1   .   1   40   40   MET   H   H   1    8.250     0.022   .   .   .   .   .   .   .   40   M   HN   .   51124   1    
     65    .   1   .   1   40   40   MET   N   N   15   119.491   0.157   .   .   .   .   .   .   .   40   M   N    .   51124   1    
     66    .   1   .   1   41   41   ASP   H   H   1    8.165     0.015   .   .   .   .   .   .   .   41   D   HN   .   51124   1    
     67    .   1   .   1   41   41   ASP   N   N   15   120.938   0.134   .   .   .   .   .   .   .   41   D   N    .   51124   1    
     68    .   1   .   1   42   42   ASP   H   H   1    8.149     0.018   .   .   .   .   .   .   .   42   D   HN   .   51124   1    
     69    .   1   .   1   42   42   ASP   N   N   15   120.103   0.261   .   .   .   .   .   .   .   42   D   N    .   51124   1    
     70    .   1   .   1   43   43   LEU   H   H   1    7.992     0.013   .   .   .   .   .   .   .   43   L   HN   .   51124   1    
     71    .   1   .   1   43   43   LEU   N   N   15   121.639   0.198   .   .   .   .   .   .   .   43   L   N    .   51124   1    
     72    .   1   .   1   44   44   MET   H   H   1    8.168     0.012   .   .   .   .   .   .   .   44   M   HN   .   51124   1    
     73    .   1   .   1   44   44   MET   N   N   15   120.321   0.150   .   .   .   .   .   .   .   44   M   N    .   51124   1    
     74    .   1   .   1   45   45   LEU   H   H   1    7.994     0.025   .   .   .   .   .   .   .   45   L   HN   .   51124   1    
     75    .   1   .   1   45   45   LEU   N   N   15   123.079   0.288   .   .   .   .   .   .   .   45   L   N    .   51124   1    
     76    .   1   .   1   46   46   SER   H   H   1    8.439     0.020   .   .   .   .   .   .   .   46   S   HN   .   51124   1    
     77    .   1   .   1   46   46   SER   N   N   15   118.378   0.079   .   .   .   .   .   .   .   46   S   N    .   51124   1    
     78    .   1   .   1   48   48   ASP   H   H   1    8.125     0.022   .   .   .   .   .   .   .   48   D   HN   .   51124   1    
     79    .   1   .   1   48   48   ASP   N   N   15   118.765   0.415   .   .   .   .   .   .   .   48   D   N    .   51124   1    
     80    .   1   .   1   49   49   ASP   H   H   1    8.009     0.032   .   .   .   .   .   .   .   49   D   HN   .   51124   1    
     81    .   1   .   1   49   49   ASP   N   N   15   120.137   0.154   .   .   .   .   .   .   .   49   D   N    .   51124   1    
     82    .   1   .   1   50   50   ILE   H   H   1    7.764     0.017   .   .   .   .   .   .   .   50   I   HN   .   51124   1    
     83    .   1   .   1   50   50   ILE   N   N   15   120.058   0.154   .   .   .   .   .   .   .   50   I   N    .   51124   1    
     84    .   1   .   1   51   51   GLU   H   H   1    8.255     0.029   .   .   .   .   .   .   .   51   E   HN   .   51124   1    
     85    .   1   .   1   51   51   GLU   N   N   15   123.789   0.172   .   .   .   .   .   .   .   51   E   N    .   51124   1    
     86    .   1   .   1   52   52   GLN   H   H   1    8.056     0.020   .   .   .   .   .   .   .   52   Q   HN   .   51124   1    
     87    .   1   .   1   52   52   GLN   N   N   15   120.302   0.351   .   .   .   .   .   .   .   52   Q   N    .   51124   1    
     88    .   1   .   1   53   53   TRP   H   H   1    7.896     0.012   .   .   .   .   .   .   .   53   W   HN   .   51124   1    
     89    .   1   .   1   53   53   TRP   N   N   15   121.491   0.243   .   .   .   .   .   .   .   53   W   N    .   51124   1    
     90    .   1   .   1   54   54   PHE   H   H   1    7.894     0.014   .   .   .   .   .   .   .   54   F   HN   .   51124   1    
     91    .   1   .   1   54   54   PHE   N   N   15   121.495   0.234   .   .   .   .   .   .   .   54   F   N    .   51124   1    
     92    .   1   .   1   55   55   THR   H   H   1    7.901     0.005   .   .   .   .   .   .   .   55   T   HN   .   51124   1    
     93    .   1   .   1   55   55   THR   N   N   15   116.202   0.421   .   .   .   .   .   .   .   55   T   N    .   51124   1    
     94    .   1   .   1   56   56   GLU   H   H   1    8.224     0.004   .   .   .   .   .   .   .   56   E   HN   .   51124   1    
     95    .   1   .   1   56   56   GLU   N   N   15   123.294   0.231   .   .   .   .   .   .   .   56   E   N    .   51124   1    
     96    .   1   .   1   57   57   ASP   H   H   1    8.353     0.011   .   .   .   .   .   .   .   57   D   HN   .   51124   1    
     97    .   1   .   1   57   57   ASP   N   N   15   123.367   0.180   .   .   .   .   .   .   .   57   D   N    .   51124   1    
     98    .   1   .   1   59   59   GLY   H   H   1    8.312     0.001   .   .   .   .   .   .   .   59   G   HN   .   51124   1    
     99    .   1   .   1   59   59   GLY   N   N   15   109.207   0.041   .   .   .   .   .   .   .   59   G   N    .   51124   1    
     100   .   1   .   1   61   61   ASP   H   H   1    8.358     0.009   .   .   .   .   .   .   .   61   D   HN   .   51124   1    
     101   .   1   .   1   61   61   ASP   N   N   15   119.876   0.046   .   .   .   .   .   .   .   61   D   N    .   51124   1    
     102   .   1   .   1   62   62   GLU   H   H   1    8.034     0.003   .   .   .   .   .   .   .   62   E   HN   .   51124   1    
     103   .   1   .   1   62   62   GLU   N   N   15   120.840   0.054   .   .   .   .   .   .   .   62   E   N    .   51124   1    
     104   .   1   .   1   63   63   ALA   H   H   1    8.181     0.002   .   .   .   .   .   .   .   63   A   HN   .   51124   1    
     105   .   1   .   1   63   63   ALA   N   N   15   126.548   0.054   .   .   .   .   .   .   .   63   A   N    .   51124   1    
     106   .   1   .   1   65   65   ARG   H   H   1    8.371     0.005   .   .   .   .   .   .   .   65   R   HN   .   51124   1    
     107   .   1   .   1   65   65   ARG   N   N   15   121.860   0.070   .   .   .   .   .   .   .   65   R   N    .   51124   1    
     108   .   1   .   1   66   66   MET   H   H   1    8.405     0.006   .   .   .   .   .   .   .   66   M   HN   .   51124   1    
     109   .   1   .   1   66   66   MET   N   N   15   123.328   0.033   .   .   .   .   .   .   .   66   M   N    .   51124   1    
     110   .   1   .   1   68   68   GLU   H   H   1    8.442     0.005   .   .   .   .   .   .   .   68   E   HN   .   51124   1    
     111   .   1   .   1   68   68   GLU   N   N   15   121.189   0.062   .   .   .   .   .   .   .   68   E   N    .   51124   1    
     112   .   1   .   1   69   69   ALA   H   H   1    8.214     0.006   .   .   .   .   .   .   .   69   A   HN   .   51124   1    
     113   .   1   .   1   69   69   ALA   N   N   15   125.544   0.050   .   .   .   .   .   .   .   69   A   N    .   51124   1    
     114   .   1   .   1   73   73   VAL   H   H   1    8.068     0.004   .   .   .   .   .   .   .   73   V   HN   .   51124   1    
     115   .   1   .   1   73   73   VAL   N   N   15   120.415   0.049   .   .   .   .   .   .   .   73   V   N    .   51124   1    
     116   .   1   .   1   74   74   ALA   H   H   1    8.301     0.002   .   .   .   .   .   .   .   74   A   HN   .   51124   1    
     117   .   1   .   1   74   74   ALA   N   N   15   129.554   0.031   .   .   .   .   .   .   .   74   A   N    .   51124   1    
     118   .   1   .   1   81   81   THR   H   H   1    8.222     0.003   .   .   .   .   .   .   .   81   T   HN   .   51124   1    
     119   .   1   .   1   81   81   THR   N   N   15   117.342   0.028   .   .   .   .   .   .   .   81   T   N    .   51124   1    
     120   .   1   .   1   90   90   SER   H   H   1    8.041     0.003   .   .   .   .   .   .   .   90   S   HN   .   51124   1    
     121   .   1   .   1   90   90   SER   N   N   15   115.602   0.040   .   .   .   .   .   .   .   90   S   N    .   51124   1    
     122   .   1   .   1   91   91   TRP   H   H   1    7.946     0.001   .   .   .   .   .   .   .   91   W   HN   .   51124   1    
     123   .   1   .   1   91   91   TRP   N   N   15   123.758   0.032   .   .   .   .   .   .   .   91   W   N    .   51124   1    
     124   .   1   .   1   93   93   LEU   H   H   1    8.062     0.003   .   .   .   .   .   .   .   93   L   HN   .   51124   1    
     125   .   1   .   1   93   93   LEU   N   N   15   122.850   0.041   .   .   .   .   .   .   .   93   L   N    .   51124   1    
     126   .   1   .   1   94   94   SER   H   H   1    7.670     0.002   .   .   .   .   .   .   .   94   S   HN   .   51124   1    
     127   .   1   .   1   94   94   SER   N   N   15   120.956   0.032   .   .   .   .   .   .   .   94   S   N    .   51124   1    

   stop_

save_