Content for NMR-STAR saveframe, "assigned_chem_shift_list"

    save_assigned_chem_shift_list
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list
   _Assigned_chem_shift_list.Entry_ID                      26680
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $aqueous_trifluoroethanol
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_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   '3D HN(CO)CA'                       1   $sample_1   isotropic   26680   1
      2   '3D HNCA'                           1   $sample_1   isotropic   26680   1
      3   '2D 1H-15N HSQC/HMQC'               1   $sample_1   isotropic   26680   1
      4   'HNcoCACB (H[N[co[{CA|ca[C]}]]])'   1   $sample_1   isotropic   26680   1
      5   'HNcaCO (H[N[ca[CO]]])'             1   $sample_1   isotropic   26680   1
      6   '3D HNCO'                           1   $sample_1   isotropic   26680   1
      7   '2D 1H-13C HSQC/HMQC'               1   $sample_1   isotropic   26680   1
      8   '3D HCCH-COSY'                      1   $sample_1   isotropic   26680   1
   stop_

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

      1     .   1   1   1    1    PCA   H     H   1    7.783     0.006   .   1   .   21    .   .   3     PCA   H     .   26680   1
      2     .   1   1   1    1    PCA   HA    H   1    4.222     .       .   1   .   212   .   .   4     PCA   HA    .   26680   1
      3     .   1   1   1    1    PCA   HB2   H   1    1.709     0.001   .   2   .   262   .   .   5     PCA   HB2   .   26680   1
      4     .   1   1   1    1    PCA   HB3   H   1    2.427     .       .   2   .   263   .   .   6     PCA   HB3   .   26680   1
      5     .   1   1   1    1    PCA   C     C   13   176.424   .       .   1   .   89    .   .   7     PCA   C     .   26680   1
      6     .   1   1   1    1    PCA   CA    C   13   60.448    0.023   .   1   .   87    .   .   8     PCA   CA    .   26680   1
      7     .   1   1   1    1    PCA   CB    C   13   28.423    0.03    .   1   .   93    .   .   9     PCA   CB    .   26680   1
      8     .   1   1   1    1    PCA   N     N   15   123.517   0.106   .   1   .   22    .   .   10    PCA   N     .   26680   1
      9     .   1   1   2    2    PHE   H     H   1    7.974     0.01    .   1   .   3     .   .   11    PHE   H     .   26680   1
      10    .   1   1   2    2    PHE   HA    H   1    4.698     0.002   .   1   .   213   .   .   12    PHE   HA    .   26680   1
      11    .   1   1   2    2    PHE   HB2   H   1    2.979     0.0     .   2   .   248   .   .   13    PHE   HB2   .   26680   1
      12    .   1   1   2    2    PHE   HB3   H   1    3.224     0.002   .   2   .   249   .   .   14    PHE   HB3   .   26680   1
      13    .   1   1   2    2    PHE   C     C   13   174.772   .       .   1   .   146   .   .   15    PHE   C     .   26680   1
      14    .   1   1   2    2    PHE   CA    C   13   58.226    0.059   .   1   .   90    .   .   16    PHE   CA    .   26680   1
      15    .   1   1   2    2    PHE   CB    C   13   40.331    0.027   .   1   .   145   .   .   17    PHE   CB    .   26680   1
      16    .   1   1   2    2    PHE   N     N   15   118.305   0.027   .   1   .   4     .   .   18    PHE   N     .   26680   1
      17    .   1   1   3    3    ARG   H     H   1    8.293     0.007   .   1   .   11    .   .   19    ARG   H     .   26680   1
      18    .   1   1   3    3    ARG   HA    H   1    4.317     0.0     .   1   .   214   .   .   20    ARG   HA    .   26680   1
      19    .   1   1   3    3    ARG   HB2   H   1    1.836     0.034   .   2   .   252   .   .   21    ARG   HB2   .   26680   1
      20    .   1   1   3    3    ARG   HB3   H   1    1.753     0.003   .   2   .   264   .   .   22    ARG   HB3   .   26680   1
      21    .   1   1   3    3    ARG   HE    H   1    7.401     .       .   1   .   13    .   .   23    ARG   HE    .   26680   1
      22    .   1   1   3    3    ARG   C     C   13   175.202   .       .   1   .   133   .   .   24    ARG   C     .   26680   1
      23    .   1   1   3    3    ARG   CA    C   13   56.954    0.044   .   1   .   102   .   .   25    ARG   CA    .   26680   1
      24    .   1   1   3    3    ARG   CB    C   13   31.728    0.031   .   1   .   132   .   .   26    ARG   CB    .   26680   1
      25    .   1   1   3    3    ARG   N     N   15   121.160   0.048   .   1   .   12    .   .   27    ARG   N     .   26680   1
      26    .   1   1   3    3    ARG   NE    N   15   84.227    .       .   1   .   14    .   .   28    ARG   NE    .   26680   1
      27    .   1   1   4    4    HIS   H     H   1    8.596     0.005   .   1   .   48    .   .   29    HIS   H     .   26680   1
      28    .   1   1   4    4    HIS   HA    H   1    4.710     0.002   .   1   .   215   .   .   30    HIS   HA    .   26680   1
      29    .   1   1   4    4    HIS   HB2   H   1    3.293     0.003   .   2   .   250   .   .   31    HIS   HB2   .   26680   1
      30    .   1   1   4    4    HIS   HB3   H   1    3.199     0.005   .   2   .   251   .   .   32    HIS   HB3   .   26680   1
      31    .   1   1   4    4    HIS   C     C   13   173.113   .       .   1   .   163   .   .   33    HIS   C     .   26680   1
      32    .   1   1   4    4    HIS   CA    C   13   56.238    0.07    .   1   .   101   .   .   34    HIS   CA    .   26680   1
      33    .   1   1   4    4    HIS   CB    C   13   29.610    0.041   .   1   .   164   .   .   35    HIS   CB    .   26680   1
      34    .   1   1   4    4    HIS   N     N   15   118.999   0.07    .   1   .   49    .   .   36    HIS   N     .   26680   1
      35    .   1   1   5    5    ASP   H     H   1    8.463     0.004   .   1   .   42    .   .   37    ASP   H     .   26680   1
      36    .   1   1   5    5    ASP   HA    H   1    4.805     0.0     .   1   .   216   .   .   38    ASP   HA    .   26680   1
      37    .   1   1   5    5    ASP   HB2   H   1    2.897     0.002   .   1   .   253   .   .   39    ASP   HB2   .   26680   1
      38    .   1   1   5    5    ASP   C     C   13   175.145   .       .   1   .   160   .   .   40    ASP   C     .   26680   1
      39    .   1   1   5    5    ASP   CA    C   13   54.286    0.077   .   1   .   105   .   .   41    ASP   CA    .   26680   1
      40    .   1   1   5    5    ASP   CB    C   13   40.731    0.062   .   1   .   159   .   .   42    ASP   CB    .   26680   1
      41    .   1   1   5    5    ASP   N     N   15   120.259   0.03    .   1   .   43    .   .   43    ASP   N     .   26680   1
      42    .   1   1   6    6    SER   H     H   1    8.498     0.003   .   1   .   35    .   .   44    SER   H     .   26680   1
      43    .   1   1   6    6    SER   HA    H   1    4.438     0.002   .   1   .   217   .   .   45    SER   HA    .   26680   1
      44    .   1   1   6    6    SER   HB2   H   1    4.006     0.021   .   1   .   265   .   .   46    SER   HB2   .   26680   1
      45    .   1   1   6    6    SER   C     C   13   174.647   .       .   1   .   166   .   .   47    SER   C     .   26680   1
      46    .   1   1   6    6    SER   CA    C   13   60.709    0.064   .   1   .   106   .   .   48    SER   CA    .   26680   1
      47    .   1   1   6    6    SER   CB    C   13   64.437    0.052   .   1   .   165   .   .   49    SER   CB    .   26680   1
      48    .   1   1   6    6    SER   N     N   15   116.923   0.024   .   1   .   36    .   .   50    SER   N     .   26680   1
      49    .   1   1   7    7    GLY   H     H   1    8.611     0.001   .   1   .   46    .   .   51    GLY   H     .   26680   1
      50    .   1   1   7    7    GLY   HA2   H   1    3.941     0.006   .   2   .   218   .   .   52    GLY   HA2   .   26680   1
      51    .   1   1   7    7    GLY   HA3   H   1    3.985     0.006   .   2   .   247   .   .   53    GLY   HA3   .   26680   1
      52    .   1   1   7    7    GLY   C     C   13   174.810   .       .   1   .   168   .   .   54    GLY   C     .   26680   1
      53    .   1   1   7    7    GLY   CA    C   13   47.309    0.067   .   1   .   96    .   .   55    GLY   CA    .   26680   1
      54    .   1   1   7    7    GLY   N     N   15   109.685   0.017   .   1   .   47    .   .   56    GLY   N     .   26680   1
      55    .   1   1   8    8    TYR   H     H   1    8.110     0.003   .   1   .   52    .   .   57    TYR   H     .   26680   1
      56    .   1   1   8    8    TYR   HA    H   1    4.333     0.006   .   1   .   219   .   .   58    TYR   HA    .   26680   1
      57    .   1   1   8    8    TYR   HB2   H   1    3.104     0.004   .   2   .   266   .   .   59    TYR   HB2   .   26680   1
      58    .   1   1   8    8    TYR   HB3   H   1    3.171     0.001   .   2   .   267   .   .   60    TYR   HB3   .   26680   1
      59    .   1   1   8    8    TYR   C     C   13   176.774   .       .   1   .   191   .   .   61    TYR   C     .   26680   1
      60    .   1   1   8    8    TYR   CA    C   13   61.743    0.037   .   1   .   116   .   .   62    TYR   CA    .   26680   1
      61    .   1   1   8    8    TYR   CB    C   13   39.307    0.236   .   1   .   203   .   .   63    TYR   CB    .   26680   1
      62    .   1   1   8    8    TYR   N     N   15   121.468   0.066   .   1   .   53    .   .   64    TYR   N     .   26680   1
      63    .   1   1   9    9    GLU   H     H   1    8.383     0.009   .   1   .   94    .   .   65    GLU   H     .   26680   1
      64    .   1   1   9    9    GLU   HA    H   1    4.138     0.002   .   1   .   300   .   .   66    GLU   HA    .   26680   1
      65    .   1   1   9    9    GLU   HB2   H   1    2.215     .       .   2   .   301   .   .   67    GLU   HB2   .   26680   1
      66    .   1   1   9    9    GLU   HB3   H   1    2.264     .       .   2   .   302   .   .   68    GLU   HB3   .   26680   1
      67    .   1   1   9    9    GLU   C     C   13   177.345   .       .   1   .   141   .   .   69    GLU   C     .   26680   1
      68    .   1   1   9    9    GLU   CA    C   13   59.628    0.048   .   1   .   88    .   .   70    GLU   CA    .   26680   1
      69    .   1   1   9    9    GLU   CB    C   13   29.046    .       .   1   .   142   .   .   71    GLU   CB    .   26680   1
      70    .   1   1   9    9    GLU   N     N   15   119.907   0.014   .   1   .   95    .   .   72    GLU   N     .   26680   1
      71    .   1   1   10   10   VAL   H     H   1    8.176     0.001   .   1   .   5     .   .   73    VAL   H     .   26680   1
      72    .   1   1   10   10   VAL   HA    H   1    3.826     0.002   .   1   .   220   .   .   74    VAL   HA    .   26680   1
      73    .   1   1   10   10   VAL   HB    H   1    2.082     0.002   .   1   .   270   .   .   75    VAL   HB    .   26680   1
      74    .   1   1   10   10   VAL   C     C   13   176.767   .       .   1   .   173   .   .   76    VAL   C     .   26680   1
      75    .   1   1   10   10   VAL   CA    C   13   66.350    0.034   .   1   .   115   .   .   77    VAL   CA    .   26680   1
      76    .   1   1   10   10   VAL   CB    C   13   32.714    .       .   1   .   271   .   .   78    VAL   CB    .   26680   1
      77    .   1   1   10   10   VAL   N     N   15   119.372   0.041   .   1   .   6     .   .   79    VAL   N     .   26680   1
      78    .   1   1   11   11   HIS   H     H   1    8.112     0.003   .   1   .   59    .   .   80    HIS   H     .   26680   1
      79    .   1   1   11   11   HIS   HA    H   1    4.394     0.005   .   1   .   242   .   .   81    HIS   HA    .   26680   1
      80    .   1   1   11   11   HIS   HB2   H   1    3.270     0.002   .   1   .   272   .   .   82    HIS   HB2   .   26680   1
      81    .   1   1   11   11   HIS   C     C   13   175.052   .       .   1   .   192   .   .   83    HIS   C     .   26680   1
      82    .   1   1   11   11   HIS   CA    C   13   59.222    0.04    .   1   .   104   .   .   84    HIS   CA    .   26680   1
      83    .   1   1   11   11   HIS   CB    C   13   28.915    0.128   .   1   .   261   .   .   85    HIS   CB    .   26680   1
      84    .   1   1   11   11   HIS   N     N   15   117.179   0.036   .   1   .   204   .   .   86    HIS   N     .   26680   1
      85    .   1   1   12   12   HIS   H     H   1    8.513     0.004   .   1   .   122   .   .   87    HIS   H     .   26680   1
      86    .   1   1   12   12   HIS   HA    H   1    4.294     0.003   .   1   .   221   .   .   88    HIS   HA    .   26680   1
      87    .   1   1   12   12   HIS   HB2   H   1    3.298     0.002   .   2   .   273   .   .   89    HIS   HB2   .   26680   1
      88    .   1   1   12   12   HIS   HB3   H   1    3.053     0.005   .   2   .   274   .   .   90    HIS   HB3   .   26680   1
      89    .   1   1   12   12   HIS   C     C   13   174.529   .       .   1   .   185   .   .   91    HIS   C     .   26680   1
      90    .   1   1   12   12   HIS   CA    C   13   59.506    0.02    .   1   .   183   .   .   92    HIS   CA    .   26680   1
      91    .   1   1   12   12   HIS   CB    C   13   28.787    0.019   .   1   .   184   .   .   93    HIS   CB    .   26680   1
      92    .   1   1   12   12   HIS   N     N   15   116.879   0.037   .   1   .   205   .   .   94    HIS   N     .   26680   1
      93    .   1   1   13   13   GLN   H     H   1    8.337     0.003   .   1   .   82    .   .   95    GLN   H     .   26680   1
      94    .   1   1   13   13   GLN   HA    H   1    3.995     0.005   .   1   .   222   .   .   96    GLN   HA    .   26680   1
      95    .   1   1   13   13   GLN   HB2   H   1    2.148     0.006   .   2   .   275   .   .   97    GLN   HB2   .   26680   1
      96    .   1   1   13   13   GLN   HB3   H   1    2.254     0.042   .   2   .   276   .   .   98    GLN   HB3   .   26680   1
      97    .   1   1   13   13   GLN   C     C   13   176.589   .       .   1   .   155   .   .   99    GLN   C     .   26680   1
      98    .   1   1   13   13   GLN   CA    C   13   59.212    0.051   .   1   .   156   .   .   100   GLN   CA    .   26680   1
      99    .   1   1   13   13   GLN   CB    C   13   29.178    .       .   1   .   299   .   .   101   GLN   CB    .   26680   1
      100   .   1   1   13   13   GLN   N     N   15   118.618   0.019   .   1   .   206   .   .   102   GLN   N     .   26680   1
      101   .   1   1   14   14   LYS   H     H   1    8.091     0.004   .   1   .   31    .   .   103   LYS   H     .   26680   1
      102   .   1   1   14   14   LYS   HA    H   1    4.125     0.002   .   1   .   239   .   .   104   LYS   HA    .   26680   1
      103   .   1   1   14   14   LYS   HB2   H   1    1.956     .       .   2   .   277   .   .   105   LYS   HB2   .   26680   1
      104   .   1   1   14   14   LYS   HB3   H   1    1.920     .       .   2   .   278   .   .   106   LYS   HB3   .   26680   1
      105   .   1   1   14   14   LYS   C     C   13   177.064   .       .   1   .   149   .   .   107   LYS   C     .   26680   1
      106   .   1   1   14   14   LYS   CA    C   13   60.097    0.083   .   1   .   98    .   .   108   LYS   CA    .   26680   1
      107   .   1   1   14   14   LYS   CB    C   13   32.976    0.083   .   1   .   150   .   .   109   LYS   CB    .   26680   1
      108   .   1   1   14   14   LYS   N     N   15   118.633   0.042   .   1   .   32    .   .   110   LYS   N     .   26680   1
      109   .   1   1   15   15   LEU   H     H   1    7.719     0.003   .   1   .   18    .   .   111   LEU   H     .   26680   1
      110   .   1   1   15   15   LEU   HA    H   1    4.261     0.003   .   1   .   223   .   .   112   LEU   HA    .   26680   1
      111   .   1   1   15   15   LEU   HB2   H   1    1.742     0.006   .   2   .   279   .   .   113   LEU   HB2   .   26680   1
      112   .   1   1   15   15   LEU   HB3   H   1    1.687     0.002   .   2   .   280   .   .   114   LEU   HB3   .   26680   1
      113   .   1   1   15   15   LEU   C     C   13   177.582   .       .   1   .   193   .   .   115   LEU   C     .   26680   1
      114   .   1   1   15   15   LEU   CA    C   13   58.466    0.09    .   1   .   151   .   .   116   LEU   CA    .   26680   1
      115   .   1   1   15   15   LEU   CB    C   13   42.528    0.009   .   1   .   281   .   .   117   LEU   CB    .   26680   1
      116   .   1   1   15   15   LEU   N     N   15   119.674   0.057   .   1   .   19    .   .   118   LEU   N     .   26680   1
      117   .   1   1   16   16   VAL   H     H   1    7.833     0.004   .   1   .   123   .   .   119   VAL   H     .   26680   1
      118   .   1   1   16   16   VAL   HA    H   1    3.675     0.01    .   1   .   244   .   .   120   VAL   HA    .   26680   1
      119   .   1   1   16   16   VAL   HB    H   1    2.038     0.003   .   1   .   282   .   .   121   VAL   HB    .   26680   1
      120   .   1   1   16   16   VAL   C     C   13   176.760   .       .   1   .   194   .   .   122   VAL   C     .   26680   1
      121   .   1   1   16   16   VAL   CA    C   13   66.850    0.103   .   1   .   125   .   .   123   VAL   CA    .   26680   1
      122   .   1   1   16   16   VAL   CB    C   13   32.476    .       .   1   .   303   .   .   124   VAL   CB    .   26680   1
      123   .   1   1   16   16   VAL   N     N   15   118.925   0.088   .   1   .   124   .   .   125   VAL   N     .   26680   1
      124   .   1   1   17   17   PHE   H     H   1    8.076     0.001   .   1   .   37    .   .   126   PHE   H     .   26680   1
      125   .   1   1   17   17   PHE   HA    H   1    4.415     0.001   .   1   .   304   .   .   127   PHE   HA    .   26680   1
      126   .   1   1   17   17   PHE   HB2   H   1    3.210     0.003   .   2   .   305   .   .   128   PHE   HB2   .   26680   1
      127   .   1   1   17   17   PHE   HB3   H   1    3.260     0.002   .   2   .   306   .   .   129   PHE   HB3   .   26680   1
      128   .   1   1   17   17   PHE   C     C   13   177.043   .       .   1   .   152   .   .   130   PHE   C     .   26680   1
      129   .   1   1   17   17   PHE   CA    C   13   60.861    0.031   .   1   .   118   .   .   131   PHE   CA    .   26680   1
      130   .   1   1   17   17   PHE   CB    C   13   39.299    0.038   .   1   .   153   .   .   132   PHE   CB    .   26680   1
      131   .   1   1   17   17   PHE   N     N   15   119.131   0.023   .   1   .   38    .   .   133   PHE   N     .   26680   1
      132   .   1   1   18   18   PHE   H     H   1    8.377     0.007   .   1   .   25    .   .   134   PHE   H     .   26680   1
      133   .   1   1   18   18   PHE   HA    H   1    4.334     0.015   .   1   .   307   .   .   135   PHE   HA    .   26680   1
      134   .   1   1   18   18   PHE   HB2   H   1    3.274     .       .   2   .   308   .   .   136   PHE   HB2   .   26680   1
      135   .   1   1   18   18   PHE   HB3   H   1    3.329     .       .   2   .   309   .   .   137   PHE   HB3   .   26680   1
      136   .   1   1   18   18   PHE   C     C   13   176.251   .       .   1   .   172   .   .   138   PHE   C     .   26680   1
      137   .   1   1   18   18   PHE   CA    C   13   61.741    0.026   .   1   .   154   .   .   139   PHE   CA    .   26680   1
      138   .   1   1   18   18   PHE   CB    C   13   39.622    .       .   1   .   202   .   .   140   PHE   CB    .   26680   1
      139   .   1   1   18   18   PHE   N     N   15   119.899   0.024   .   1   .   26    .   .   141   PHE   N     .   26680   1
      140   .   1   1   19   19   ALA   H     H   1    8.626     0.005   .   1   .   56    .   .   142   ALA   H     .   26680   1
      141   .   1   1   19   19   ALA   HA    H   1    4.005     0.01    .   1   .   243   .   .   143   ALA   HA    .   26680   1
      142   .   1   1   19   19   ALA   HB1   H   1    1.531     0.001   .   1   .   268   .   .   144   ALA   HB1   .   26680   1
      143   .   1   1   19   19   ALA   HB2   H   1    1.531     0.001   .   1   .   268   .   .   145   ALA   HB2   .   26680   1
      144   .   1   1   19   19   ALA   HB3   H   1    1.531     0.001   .   1   .   268   .   .   146   ALA   HB3   .   26680   1
      145   .   1   1   19   19   ALA   C     C   13   179.340   .       .   1   .   175   .   .   147   ALA   C     .   26680   1
      146   .   1   1   19   19   ALA   CA    C   13   55.712    0.032   .   1   .   111   .   .   148   ALA   CA    .   26680   1
      147   .   1   1   19   19   ALA   CB    C   13   18.637    .       .   1   .   269   .   .   149   ALA   CB    .   26680   1
      148   .   1   1   19   19   ALA   N     N   15   121.833   0.046   .   1   .   57    .   .   150   ALA   N     .   26680   1
      149   .   1   1   20   20   GLU   H     H   1    8.375     0.009   .   1   .   207   .   .   151   GLU   H     .   26680   1
      150   .   1   1   20   20   GLU   HA    H   1    4.164     0.002   .   1   .   310   .   .   152   GLU   HA    .   26680   1
      151   .   1   1   20   20   GLU   HB2   H   1    2.120     .       .   2   .   311   .   .   153   GLU   HB2   .   26680   1
      152   .   1   1   20   20   GLU   HB3   H   1    2.190     .       .   2   .   312   .   .   154   GLU   HB3   .   26680   1
      153   .   1   1   20   20   GLU   C     C   13   176.805   .       .   1   .   176   .   .   155   GLU   C     .   26680   1
      154   .   1   1   20   20   GLU   CA    C   13   58.440    0.06    .   1   .   112   .   .   156   GLU   CA    .   26680   1
      155   .   1   1   20   20   GLU   CB    C   13   29.270    .       .   1   .   177   .   .   157   GLU   CB    .   26680   1
      156   .   1   1   20   20   GLU   N     N   15   115.703   0.172   .   1   .   71    .   .   158   GLU   N     .   26680   1
      157   .   1   1   21   21   ASP   H     H   1    8.240     0.003   .   1   .   74    .   .   159   ASP   H     .   26680   1
      158   .   1   1   21   21   ASP   HA    H   1    4.568     0.005   .   1   .   224   .   .   160   ASP   HA    .   26680   1
      159   .   1   1   21   21   ASP   HB2   H   1    2.780     .       .   2   .   254   .   .   161   ASP   HB2   .   26680   1
      160   .   1   1   21   21   ASP   HB3   H   1    2.824     .       .   2   .   259   .   .   162   ASP   HB3   .   26680   1
      161   .   1   1   21   21   ASP   C     C   13   175.910   .       .   1   .   136   .   .   163   ASP   C     .   26680   1
      162   .   1   1   21   21   ASP   CA    C   13   55.718    0.085   .   1   .   135   .   .   164   ASP   CA    .   26680   1
      163   .   1   1   21   21   ASP   CB    C   13   38.866    0.037   .   1   .   134   .   .   165   ASP   CB    .   26680   1
      164   .   1   1   21   21   ASP   N     N   15   118.722   0.083   .   1   .   208   .   .   166   ASP   N     .   26680   1
      165   .   1   1   22   22   VAL   H     H   1    8.127     0.002   .   1   .   20    .   .   167   VAL   H     .   26680   1
      166   .   1   1   22   22   VAL   HA    H   1    3.809     0.009   .   1   .   225   .   .   168   VAL   HA    .   26680   1
      167   .   1   1   22   22   VAL   HB    H   1    1.936     .       .   1   .   255   .   .   169   VAL   HB    .   26680   1
      168   .   1   1   22   22   VAL   C     C   13   176.903   .       .   1   .   170   .   .   170   VAL   C     .   26680   1
      169   .   1   1   22   22   VAL   CA    C   13   65.676    0.041   .   1   .   97    .   .   171   VAL   CA    .   26680   1
      170   .   1   1   22   22   VAL   CB    C   13   32.609    0.042   .   1   .   169   .   .   172   VAL   CB    .   26680   1
      171   .   1   1   22   22   VAL   N     N   15   119.229   0.044   .   1   .   209   .   .   173   VAL   N     .   26680   1
      172   .   1   1   23   23   GLY   H     H   1    8.192     0.001   .   1   .   54    .   .   174   GLY   H     .   26680   1
      173   .   1   1   23   23   GLY   HA2   H   1    3.894     .       .   1   .   226   .   .   175   GLY   HA2   .   26680   1
      174   .   1   1   23   23   GLY   C     C   13   174.282   .       .   1   .   143   .   .   176   GLY   C     .   26680   1
      175   .   1   1   23   23   GLY   CA    C   13   46.999    0.056   .   1   .   171   .   .   177   GLY   CA    .   26680   1
      176   .   1   1   23   23   GLY   N     N   15   107.427   0.046   .   1   .   55    .   .   178   GLY   N     .   26680   1
      177   .   1   1   24   24   SER   H     H   1    7.942     0.004   .   1   .   7     .   .   179   SER   H     .   26680   1
      178   .   1   1   24   24   SER   HA    H   1    4.443     0.003   .   1   .   227   .   .   180   SER   HA    .   26680   1
      179   .   1   1   24   24   SER   HB2   H   1    4.028     .       .   2   .   283   .   .   181   SER   HB2   .   26680   1
      180   .   1   1   24   24   SER   HB3   H   1    3.969     0.02    .   2   .   284   .   .   182   SER   HB3   .   26680   1
      181   .   1   1   24   24   SER   C     C   13   173.965   .       .   1   .   157   .   .   183   SER   C     .   26680   1
      182   .   1   1   24   24   SER   CA    C   13   60.064    0.046   .   1   .   144   .   .   184   SER   CA    .   26680   1
      183   .   1   1   24   24   SER   CB    C   13   64.426    0.063   .   1   .   158   .   .   185   SER   CB    .   26680   1
      184   .   1   1   24   24   SER   N     N   15   114.596   0.018   .   1   .   8     .   .   186   SER   N     .   26680   1
      185   .   1   1   25   25   ASN   H     H   1    8.115     0.003   .   1   .   33    .   .   187   ASN   H     .   26680   1
      186   .   1   1   25   25   ASN   HA    H   1    4.807     0.001   .   1   .   228   .   .   188   ASN   HA    .   26680   1
      187   .   1   1   25   25   ASN   HB2   H   1    2.955     0.004   .   2   .   285   .   .   189   ASN   HB2   .   26680   1
      188   .   1   1   25   25   ASN   HB3   H   1    2.849     0.0     .   2   .   286   .   .   190   ASN   HB3   .   26680   1
      189   .   1   1   25   25   ASN   C     C   13   174.785   .       .   1   .   195   .   .   191   ASN   C     .   26680   1
      190   .   1   1   25   25   ASN   CA    C   13   54.526    0.04    .   1   .   109   .   .   192   ASN   CA    .   26680   1
      191   .   1   1   25   25   ASN   CB    C   13   39.401    0.003   .   1   .   287   .   .   193   ASN   CB    .   26680   1
      192   .   1   1   25   25   ASN   N     N   15   120.013   0.044   .   1   .   34    .   .   194   ASN   N     .   26680   1
      193   .   1   1   26   26   LYS   H     H   1    8.272     0.003   .   1   .   120   .   .   195   LYS   H     .   26680   1
      194   .   1   1   26   26   LYS   HA    H   1    4.147     0.004   .   1   .   229   .   .   196   LYS   HA    .   26680   1
      195   .   1   1   26   26   LYS   HB2   H   1    1.913     0.015   .   1   .   256   .   .   197   LYS   HB2   .   26680   1
      196   .   1   1   26   26   LYS   C     C   13   176.594   .       .   1   .   137   .   .   198   LYS   C     .   26680   1
      197   .   1   1   26   26   LYS   CA    C   13   59.398    0.042   .   1   .   139   .   .   199   LYS   CA    .   26680   1
      198   .   1   1   26   26   LYS   CB    C   13   33.088    0.067   .   1   .   138   .   .   200   LYS   CB    .   26680   1
      199   .   1   1   26   26   LYS   N     N   15   120.887   0.035   .   1   .   121   .   .   201   LYS   N     .   26680   1
      200   .   1   1   27   27   GLY   H     H   1    8.369     0.003   .   1   .   1     .   .   202   GLY   H     .   26680   1
      201   .   1   1   27   27   GLY   HA2   H   1    3.911     .       .   2   .   230   .   .   203   GLY   HA2   .   26680   1
      202   .   1   1   27   27   GLY   HA3   H   1    3.871     .       .   2   .   231   .   .   204   GLY   HA3   .   26680   1
      203   .   1   1   27   27   GLY   C     C   13   174.529   .       .   1   .   188   .   .   205   GLY   C     .   26680   1
      204   .   1   1   27   27   GLY   CA    C   13   47.218    0.051   .   1   .   140   .   .   206   GLY   CA    .   26680   1
      205   .   1   1   27   27   GLY   N     N   15   105.748   0.029   .   1   .   2     .   .   207   GLY   N     .   26680   1
      206   .   1   1   28   28   ALA   H     H   1    7.824     0.002   .   1   .   126   .   .   208   ALA   H     .   26680   1
      207   .   1   1   28   28   ALA   HA    H   1    4.255     0.004   .   1   .   232   .   .   209   ALA   HA    .   26680   1
      208   .   1   1   28   28   ALA   HB1   H   1    1.497     .       .   1   .   257   .   .   210   ALA   HB1   .   26680   1
      209   .   1   1   28   28   ALA   HB2   H   1    1.497     .       .   1   .   257   .   .   211   ALA   HB2   .   26680   1
      210   .   1   1   28   28   ALA   HB3   H   1    1.497     .       .   1   .   257   .   .   212   ALA   HB3   .   26680   1
      211   .   1   1   28   28   ALA   C     C   13   178.134   .       .   1   .   182   .   .   213   ALA   C     .   26680   1
      212   .   1   1   28   28   ALA   CA    C   13   54.993    0.055   .   1   .   100   .   .   214   ALA   CA    .   26680   1
      213   .   1   1   28   28   ALA   CB    C   13   19.132    0.049   .   1   .   181   .   .   215   ALA   CB    .   26680   1
      214   .   1   1   28   28   ALA   N     N   15   123.081   0.02    .   1   .   39    .   .   216   ALA   N     .   26680   1
      215   .   1   1   29   29   ILE   H     H   1    7.723     0.003   .   1   .   79    .   .   217   ILE   H     .   26680   1
      216   .   1   1   29   29   ILE   HA    H   1    3.939     .       .   1   .   241   .   .   218   ILE   HA    .   26680   1
      217   .   1   1   29   29   ILE   HB    H   1    2.007     0.001   .   1   .   258   .   .   219   ILE   HB    .   26680   1
      218   .   1   1   29   29   ILE   C     C   13   176.530   .       .   1   .   162   .   .   220   ILE   C     .   26680   1
      219   .   1   1   29   29   ILE   CA    C   13   64.354    0.07    .   1   .   99    .   .   221   ILE   CA    .   26680   1
      220   .   1   1   29   29   ILE   CB    C   13   38.908    0.056   .   1   .   161   .   .   222   ILE   CB    .   26680   1
      221   .   1   1   29   29   ILE   N     N   15   117.201   0.019   .   1   .   80    .   .   223   ILE   N     .   26680   1
      222   .   1   1   30   30   ILE   H     H   1    7.970     0.002   .   1   .   40    .   .   224   ILE   H     .   26680   1
      223   .   1   1   30   30   ILE   HA    H   1    3.888     .       .   1   .   240   .   .   225   ILE   HA    .   26680   1
      224   .   1   1   30   30   ILE   HB    H   1    1.934     0.003   .   1   .   260   .   .   226   ILE   HB    .   26680   1
      225   .   1   1   30   30   ILE   C     C   13   177.094   .       .   1   .   178   .   .   227   ILE   C     .   26680   1
      226   .   1   1   30   30   ILE   CA    C   13   64.934    0.067   .   1   .   119   .   .   228   ILE   CA    .   26680   1
      227   .   1   1   30   30   ILE   CB    C   13   38.476    .       .   1   .   288   .   .   229   ILE   CB    .   26680   1
      228   .   1   1   30   30   ILE   N     N   15   120.444   0.049   .   1   .   41    .   .   230   ILE   N     .   26680   1
      229   .   1   1   31   31   GLY   H     H   1    8.037     0.002   .   1   .   75    .   .   231   GLY   H     .   26680   1
      230   .   1   1   31   31   GLY   HA2   H   1    3.834     .       .   1   .   233   .   .   232   GLY   HA2   .   26680   1
      231   .   1   1   31   31   GLY   C     C   13   175.133   .       .   1   .   179   .   .   233   GLY   C     .   26680   1
      232   .   1   1   31   31   GLY   CA    C   13   47.693    0.041   .   1   .   113   .   .   234   GLY   CA    .   26680   1
      233   .   1   1   31   31   GLY   N     N   15   106.279   0.075   .   1   .   76    .   .   235   GLY   N     .   26680   1
      234   .   1   1   32   32   LEU   H     H   1    7.908     0.004   .   1   .   77    .   .   236   LEU   H     .   26680   1
      235   .   1   1   32   32   LEU   HA    H   1    4.265     0.003   .   1   .   234   .   .   237   LEU   HA    .   26680   1
      236   .   1   1   32   32   LEU   HB2   H   1    1.945     .       .   2   .   289   .   .   238   LEU   HB2   .   26680   1
      237   .   1   1   32   32   LEU   HB3   H   1    1.605     0.005   .   2   .   290   .   .   239   LEU   HB3   .   26680   1
      238   .   1   1   32   32   LEU   C     C   13   178.064   .       .   1   .   198   .   .   240   LEU   C     .   26680   1
      239   .   1   1   32   32   LEU   CA    C   13   57.954    0.064   .   1   .   180   .   .   241   LEU   CA    .   26680   1
      240   .   1   1   32   32   LEU   CB    C   13   43.013    .       .   1   .   291   .   .   242   LEU   CB    .   26680   1
      241   .   1   1   32   32   LEU   N     N   15   121.251   0.014   .   1   .   78    .   .   243   LEU   N     .   26680   1
      242   .   1   1   33   33   MET   H     H   1    8.219     0.003   .   1   .   189   .   .   244   MET   H     .   26680   1
      243   .   1   1   33   33   MET   C     C   13   177.767   .       .   1   .   196   .   .   245   MET   C     .   26680   1
      244   .   1   1   33   33   MET   CA    C   13   58.788    0.06    .   1   .   197   .   .   246   MET   CA    .   26680   1
      245   .   1   1   33   33   MET   N     N   15   118.901   0.042   .   1   .   190   .   .   247   MET   N     .   26680   1
      246   .   1   1   34   34   VAL   H     H   1    8.503     0.002   .   1   .   17    .   .   248   VAL   H     .   26680   1
      247   .   1   1   34   34   VAL   HA    H   1    4.034     0.003   .   1   .   292   .   .   249   VAL   HA    .   26680   1
      248   .   1   1   34   34   VAL   HB    H   1    2.222     0.003   .   1   .   293   .   .   250   VAL   HB    .   26680   1
      249   .   1   1   34   34   VAL   C     C   13   176.805   .       .   1   .   174   .   .   251   VAL   C     .   26680   1
      250   .   1   1   34   34   VAL   CA    C   13   65.029    0.099   .   1   .   148   .   .   252   VAL   CA    .   26680   1
      251   .   1   1   34   34   VAL   CB    C   13   32.914    0.044   .   1   .   201   .   .   253   VAL   CB    .   26680   1
      252   .   1   1   34   34   VAL   N     N   15   117.790   0.167   .   1   .   211   .   .   254   VAL   N     .   26680   1
      253   .   1   1   35   35   GLY   H     H   1    8.092     0.003   .   1   .   210   .   .   255   GLY   H     .   26680   1
      254   .   1   1   35   35   GLY   HA2   H   1    4.039     .       .   2   .   235   .   .   256   GLY   HA2   .   26680   1
      255   .   1   1   35   35   GLY   HA3   H   1    3.922     .       .   2   .   245   .   .   257   GLY   HA3   .   26680   1
      256   .   1   1   35   35   GLY   C     C   13   173.997   .       .   1   .   92    .   .   258   GLY   C     .   26680   1
      257   .   1   1   35   35   GLY   CA    C   13   46.600    0.062   .   1   .   91    .   .   259   GLY   CA    .   26680   1
      258   .   1   1   35   35   GLY   N     N   15   107.670   0.03    .   1   .   69    .   .   260   GLY   N     .   26680   1
      259   .   1   1   36   36   GLY   H     H   1    8.000     0.002   .   1   .   65    .   .   261   GLY   H     .   26680   1
      260   .   1   1   36   36   GLY   HA2   H   1    3.969     .       .   2   .   236   .   .   262   GLY   HA2   .   26680   1
      261   .   1   1   36   36   GLY   HA3   H   1    4.015     .       .   2   .   246   .   .   263   GLY   HA3   .   26680   1
      262   .   1   1   36   36   GLY   C     C   13   173.142   .       .   1   .   187   .   .   264   GLY   C     .   26680   1
      263   .   1   1   36   36   GLY   CA    C   13   46.435    0.043   .   1   .   186   .   .   265   GLY   CA    .   26680   1
      264   .   1   1   36   36   GLY   N     N   15   107.196   0.015   .   1   .   66    .   .   266   GLY   N     .   26680   1
      265   .   1   1   37   37   VAL   H     H   1    7.834     0.003   .   1   .   85    .   .   267   VAL   H     .   26680   1
      266   .   1   1   37   37   VAL   HA    H   1    4.107     0.002   .   1   .   294   .   .   268   VAL   HA    .   26680   1
      267   .   1   1   37   37   VAL   HB    H   1    2.108     0.002   .   1   .   295   .   .   269   VAL   HB    .   26680   1
      268   .   1   1   37   37   VAL   C     C   13   174.868   .       .   1   .   199   .   .   270   VAL   C     .   26680   1
      269   .   1   1   37   37   VAL   CA    C   13   63.683    0.057   .   1   .   110   .   .   271   VAL   CA    .   26680   1
      270   .   1   1   37   37   VAL   CB    C   13   33.701    0.088   .   1   .   200   .   .   272   VAL   CB    .   26680   1
      271   .   1   1   37   37   VAL   N     N   15   118.800   0.009   .   1   .   86    .   .   273   VAL   N     .   26680   1
      272   .   1   1   38   38   VAL   H     H   1    7.856     0.004   .   1   .   23    .   .   274   VAL   H     .   26680   1
      273   .   1   1   38   38   VAL   HA    H   1    4.139     0.002   .   1   .   237   .   .   275   VAL   HA    .   26680   1
      274   .   1   1   38   38   VAL   HB    H   1    2.048     0.001   .   1   .   296   .   .   276   VAL   HB    .   26680   1
      275   .   1   1   38   38   VAL   C     C   13   174.684   .       .   1   .   130   .   .   277   VAL   C     .   26680   1
      276   .   1   1   38   38   VAL   CA    C   13   63.343    0.071   .   1   .   114   .   .   278   VAL   CA    .   26680   1
      277   .   1   1   38   38   VAL   CB    C   13   33.613    0.025   .   1   .   131   .   .   279   VAL   CB    .   26680   1
      278   .   1   1   38   38   VAL   N     N   15   121.857   0.071   .   1   .   24    .   .   280   VAL   N     .   26680   1
      279   .   1   1   39   39   ILE   H     H   1    7.945     0.005   .   1   .   50    .   .   281   ILE   H     .   26680   1
      280   .   1   1   39   39   ILE   HA    H   1    4.237     0.002   .   1   .   297   .   .   282   ILE   HA    .   26680   1
      281   .   1   1   39   39   ILE   HB    H   1    1.903     0.001   .   1   .   298   .   .   283   ILE   HB    .   26680   1
      282   .   1   1   39   39   ILE   C     C   13   174.281   .       .   1   .   127   .   .   284   ILE   C     .   26680   1
      283   .   1   1   39   39   ILE   CA    C   13   61.589    0.058   .   1   .   103   .   .   285   ILE   CA    .   26680   1
      284   .   1   1   39   39   ILE   CB    C   13   39.571    0.007   .   1   .   128   .   .   286   ILE   CB    .   26680   1
      285   .   1   1   39   39   ILE   N     N   15   122.993   0.043   .   1   .   51    .   .   287   ILE   N     .   26680   1
      286   .   1   1   40   40   ALA   H     H   1    7.940     0.01    .   1   .   9     .   .   288   ALA   H     .   26680   1
      287   .   1   1   40   40   ALA   HA    H   1    4.362     0.003   .   1   .   238   .   .   289   ALA   HA    .   26680   1
      288   .   1   1   40   40   ALA   HB1   H   1    1.426     0.001   .   1   .   313   .   .   290   ALA   HB1   .   26680   1
      289   .   1   1   40   40   ALA   HB2   H   1    1.426     0.001   .   1   .   313   .   .   291   ALA   HB2   .   26680   1
      290   .   1   1   40   40   ALA   HB3   H   1    1.426     0.001   .   1   .   313   .   .   292   ALA   HB3   .   26680   1
      291   .   1   1   40   40   ALA   CA    C   13   52.360    0.096   .   1   .   129   .   .   293   ALA   CA    .   26680   1
      292   .   1   1   40   40   ALA   CB    C   13   19.690    .       .   1   .   314   .   .   294   ALA   CB    .   26680   1
      293   .   1   1   40   40   ALA   N     N   15   127.438   0.068   .   1   .   10    .   .   295   ALA   N     .   26680   1
   stop_
save_