Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      25574
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_30C
   _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

      2   '2D 1H-13C HSQC'   .   .   .   25574   1
      5   '2D 1H-1H TOCSY'   .   .   .   25574   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

      5   $CARA   .   .   25574   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    ALA   H      H   1    8.469     0.020   .   1   .   .   .   A   1    ALA   H1     .   25574   1
      2     .   1   1   1    1    ALA   HA     H   1    4.256     0.020   .   1   .   .   .   A   1    ALA   HA     .   25574   1
      3     .   1   1   1    1    ALA   HB1    H   1    1.339     0.020   .   1   .   .   .   A   1    ALA   HB1    .   25574   1
      4     .   1   1   1    1    ALA   HB2    H   1    1.339     0.020   .   1   .   .   .   A   1    ALA   HB2    .   25574   1
      5     .   1   1   1    1    ALA   HB3    H   1    1.339     0.020   .   1   .   .   .   A   1    ALA   HB3    .   25574   1
      6     .   1   1   1    1    ALA   CA     C   13   52.341    0.3     .   1   .   .   .   A   1    ALA   CA     .   25574   1
      7     .   1   1   1    1    ALA   CB     C   13   19.004    0.3     .   1   .   .   .   A   1    ALA   CB     .   25574   1
      8     .   1   1   2    2    ALA   H      H   1    8.200     0.020   .   1   .   .   .   A   2    ALA   H      .   25574   1
      9     .   1   1   2    2    ALA   HA     H   1    4.197     0.020   .   1   .   .   .   A   2    ALA   HA     .   25574   1
      10    .   1   1   2    2    ALA   HB1    H   1    1.316     0.020   .   1   .   .   .   A   2    ALA   HB1    .   25574   1
      11    .   1   1   2    2    ALA   HB2    H   1    1.316     0.020   .   1   .   .   .   A   2    ALA   HB2    .   25574   1
      12    .   1   1   2    2    ALA   HB3    H   1    1.316     0.020   .   1   .   .   .   A   2    ALA   HB3    .   25574   1
      13    .   1   1   2    2    ALA   CA     C   13   52.165    0.3     .   1   .   .   .   A   2    ALA   CA     .   25574   1
      14    .   1   1   2    2    ALA   CB     C   13   19.023    0.3     .   1   .   .   .   A   2    ALA   CB     .   25574   1
      15    .   1   1   3    3    GLY   H      H   1    8.540     0.020   .   1   .   .   .   A   3    GLY   H      .   25574   1
      16    .   1   1   3    3    GLY   HA2    H   1    3.984     0.020   .   2   .   .   .   A   3    GLY   HA2    .   25574   1
      17    .   1   1   3    3    GLY   HA3    H   1    4.068     0.020   .   2   .   .   .   A   3    GLY   HA3    .   25574   1
      18    .   1   1   3    3    GLY   CA     C   13   44.833    0.3     .   1   .   .   .   A   3    GLY   CA     .   25574   1
      19    .   1   1   4    4    GLN   H      H   1    8.298     0.020   .   1   .   .   .   A   4    GLN   H      .   25574   1
      20    .   1   1   4    4    GLN   HA     H   1    4.442     0.020   .   1   .   .   .   A   4    GLN   HA     .   25574   1
      21    .   1   1   4    4    GLN   HB2    H   1    1.900     0.020   .   2   .   .   .   A   4    GLN   HB2    .   25574   1
      22    .   1   1   4    4    GLN   HB3    H   1    2.047     0.020   .   2   .   .   .   A   4    GLN   HB3    .   25574   1
      23    .   1   1   4    4    GLN   HG2    H   1    2.014     0.020   .   2   .   .   .   A   4    GLN   HG2    .   25574   1
      24    .   1   1   4    4    GLN   HG3    H   1    2.240     0.020   .   2   .   .   .   A   4    GLN   HG3    .   25574   1
      25    .   1   1   4    4    GLN   HE21   H   1    7.250     0.020   .   2   .   .   .   A   4    GLN   HE21   .   25574   1
      26    .   1   1   4    4    GLN   HE22   H   1    6.806     0.020   .   2   .   .   .   A   4    GLN   HE22   .   25574   1
      27    .   1   1   4    4    GLN   CA     C   13   55.826    0.3     .   1   .   .   .   A   4    GLN   CA     .   25574   1
      28    .   1   1   4    4    GLN   CB     C   13   30.318    0.3     .   1   .   .   .   A   4    GLN   CB     .   25574   1
      29    .   1   1   4    4    GLN   CG     C   13   34.821    0.3     .   1   .   .   .   A   4    GLN   CG     .   25574   1
      30    .   1   1   5    5    CYS   H      H   1    7.699     0.020   .   1   .   .   .   A   5    CYS   H      .   25574   1
      31    .   1   1   5    5    CYS   HA     H   1    4.378     0.020   .   1   .   .   .   A   5    CYS   HA     .   25574   1
      32    .   1   1   5    5    CYS   HB2    H   1    3.110     0.020   .   1   .   .   .   A   5    CYS   HB2    .   25574   1
      33    .   1   1   5    5    CYS   HB3    H   1    2.843     0.020   .   1   .   .   .   A   5    CYS   HB3    .   25574   1
      34    .   1   1   5    5    CYS   CA     C   13   54.848    0.3     .   1   .   .   .   A   5    CYS   CA     .   25574   1
      35    .   1   1   5    5    CYS   CB     C   13   41.396    0.3     .   1   .   .   .   A   5    CYS   CB     .   25574   1
      36    .   1   1   6    6    TYR   H      H   1    8.716     0.020   .   1   .   .   .   A   6    TYR   H      .   25574   1
      37    .   1   1   6    6    TYR   HA     H   1    4.713     0.020   .   1   .   .   .   A   6    TYR   HA     .   25574   1
      38    .   1   1   6    6    TYR   HB2    H   1    2.881     0.020   .   1   .   .   .   A   6    TYR   HB2    .   25574   1
      39    .   1   1   6    6    TYR   HB3    H   1    2.881     0.020   .   1   .   .   .   A   6    TYR   HB3    .   25574   1
      40    .   1   1   6    6    TYR   HD1    H   1    7.101     0.020   .   1   .   .   .   A   6    TYR   HD1    .   25574   1
      41    .   1   1   6    6    TYR   HD2    H   1    7.101     0.020   .   1   .   .   .   A   6    TYR   HD2    .   25574   1
      42    .   1   1   6    6    TYR   HE1    H   1    6.764     0.020   .   1   .   .   .   A   6    TYR   HE1    .   25574   1
      43    .   1   1   6    6    TYR   HE2    H   1    6.764     0.020   .   1   .   .   .   A   6    TYR   HE2    .   25574   1
      44    .   1   1   6    6    TYR   CA     C   13   57.097    0.3     .   1   .   .   .   A   6    TYR   CA     .   25574   1
      45    .   1   1   6    6    TYR   CB     C   13   38.913    0.3     .   1   .   .   .   A   6    TYR   CB     .   25574   1
      46    .   1   1   6    6    TYR   CD1    C   13   133.215   0.3     .   1   .   .   .   A   6    TYR   CD1    .   25574   1
      47    .   1   1   6    6    TYR   CD2    C   13   133.215   0.3     .   1   .   .   .   A   6    TYR   CD2    .   25574   1
      48    .   1   1   6    6    TYR   CE1    C   13   118.179   0.3     .   1   .   .   .   A   6    TYR   CE1    .   25574   1
      49    .   1   1   6    6    TYR   CE2    C   13   118.179   0.3     .   1   .   .   .   A   6    TYR   CE2    .   25574   1
      50    .   1   1   7    7    ARG   H      H   1    9.072     0.020   .   1   .   .   .   A   7    ARG   H      .   25574   1
      51    .   1   1   7    7    ARG   HA     H   1    3.641     0.020   .   1   .   .   .   A   7    ARG   HA     .   25574   1
      52    .   1   1   7    7    ARG   HB2    H   1    1.495     0.020   .   2   .   .   .   A   7    ARG   HB2    .   25574   1
      53    .   1   1   7    7    ARG   HB3    H   1    1.715     0.020   .   2   .   .   .   A   7    ARG   HB3    .   25574   1
      54    .   1   1   7    7    ARG   HG2    H   1    0.762     0.020   .   2   .   .   .   A   7    ARG   HG2    .   25574   1
      55    .   1   1   7    7    ARG   HG3    H   1    1.083     0.020   .   2   .   .   .   A   7    ARG   HG3    .   25574   1
      56    .   1   1   7    7    ARG   HD2    H   1    2.898     0.020   .   1   .   .   .   A   7    ARG   HD2    .   25574   1
      57    .   1   1   7    7    ARG   HD3    H   1    2.898     0.020   .   1   .   .   .   A   7    ARG   HD3    .   25574   1
      58    .   1   1   7    7    ARG   HE     H   1    6.882     0.020   .   1   .   .   .   A   7    ARG   HE     .   25574   1
      59    .   1   1   7    7    ARG   CA     C   13   56.630    0.3     .   1   .   .   .   A   7    ARG   CA     .   25574   1
      60    .   1   1   7    7    ARG   CB     C   13   27.555    0.3     .   1   .   .   .   A   7    ARG   CB     .   25574   1
      61    .   1   1   7    7    ARG   CG     C   13   26.767    0.3     .   1   .   .   .   A   7    ARG   CG     .   25574   1
      62    .   1   1   7    7    ARG   CD     C   13   43.267    0.3     .   1   .   .   .   A   7    ARG   CD     .   25574   1
      63    .   1   1   8    8    GLY   H      H   1    8.249     0.020   .   1   .   .   .   A   8    GLY   H      .   25574   1
      64    .   1   1   8    8    GLY   HA2    H   1    3.699     0.020   .   1   .   .   .   A   8    GLY   HA2    .   25574   1
      65    .   1   1   8    8    GLY   HA3    H   1    4.022     0.020   .   1   .   .   .   A   8    GLY   HA3    .   25574   1
      66    .   1   1   8    8    GLY   CA     C   13   45.227    0.3     .   1   .   .   .   A   8    GLY   CA     .   25574   1
      67    .   1   1   9    9    ARG   H      H   1    7.816     0.020   .   1   .   .   .   A   9    ARG   H      .   25574   1
      68    .   1   1   9    9    ARG   HA     H   1    4.713     0.020   .   1   .   .   .   A   9    ARG   HA     .   25574   1
      69    .   1   1   9    9    ARG   HB2    H   1    1.873     0.020   .   1   .   .   .   A   9    ARG   HB2    .   25574   1
      70    .   1   1   9    9    ARG   HB3    H   1    1.873     0.020   .   1   .   .   .   A   9    ARG   HB3    .   25574   1
      71    .   1   1   9    9    ARG   HG2    H   1    1.612     0.020   .   1   .   .   .   A   9    ARG   HG2    .   25574   1
      72    .   1   1   9    9    ARG   HG3    H   1    1.612     0.020   .   1   .   .   .   A   9    ARG   HG3    .   25574   1
      73    .   1   1   9    9    ARG   HD2    H   1    3.182     0.020   .   1   .   .   .   A   9    ARG   HD2    .   25574   1
      74    .   1   1   9    9    ARG   HD3    H   1    3.182     0.020   .   1   .   .   .   A   9    ARG   HD3    .   25574   1
      75    .   1   1   9    9    ARG   HE     H   1    7.133     0.020   .   1   .   .   .   A   9    ARG   HE     .   25574   1
      76    .   1   1   9    9    ARG   CA     C   13   54.864    0.3     .   1   .   .   .   A   9    ARG   CA     .   25574   1
      77    .   1   1   9    9    ARG   CB     C   13   33.260    0.3     .   1   .   .   .   A   9    ARG   CB     .   25574   1
      78    .   1   1   9    9    ARG   CG     C   13   26.879    0.3     .   1   .   .   .   A   9    ARG   CG     .   25574   1
      79    .   1   1   9    9    ARG   CD     C   13   43.090    0.3     .   1   .   .   .   A   9    ARG   CD     .   25574   1
      80    .   1   1   10   10   CYS   H      H   1    8.618     0.020   .   1   .   .   .   A   10   CYS   H      .   25574   1
      81    .   1   1   10   10   CYS   HA     H   1    4.986     0.020   .   1   .   .   .   A   10   CYS   HA     .   25574   1
      82    .   1   1   10   10   CYS   HB2    H   1    2.611     0.020   .   1   .   .   .   A   10   CYS   HB2    .   25574   1
      83    .   1   1   10   10   CYS   HB3    H   1    3.010     0.020   .   1   .   .   .   A   10   CYS   HB3    .   25574   1
      84    .   1   1   10   10   CYS   CA     C   13   54.466    0.3     .   1   .   .   .   A   10   CYS   CA     .   25574   1
      85    .   1   1   10   10   CYS   CB     C   13   46.281    0.3     .   1   .   .   .   A   10   CYS   CB     .   25574   1
      86    .   1   1   11   11   SER   H      H   1    8.610     0.020   .   1   .   .   .   A   11   SER   H      .   25574   1
      87    .   1   1   11   11   SER   HA     H   1    4.597     0.020   .   1   .   .   .   A   11   SER   HA     .   25574   1
      88    .   1   1   11   11   SER   HB2    H   1    3.860     0.020   .   1   .   .   .   A   11   SER   HB2    .   25574   1
      89    .   1   1   11   11   SER   HB3    H   1    3.860     0.020   .   1   .   .   .   A   11   SER   HB3    .   25574   1
      90    .   1   1   11   11   SER   CA     C   13   57.879    0.3     .   1   .   .   .   A   11   SER   CA     .   25574   1
      91    .   1   1   11   11   SER   CB     C   13   64.063    0.3     .   1   .   .   .   A   11   SER   CB     .   25574   1
      92    .   1   1   12   12   GLY   H      H   1    8.618     0.020   .   1   .   .   .   A   12   GLY   H      .   25574   1
      93    .   1   1   12   12   GLY   HA2    H   1    3.809     0.020   .   1   .   .   .   A   12   GLY   HA2    .   25574   1
      94    .   1   1   12   12   GLY   HA3    H   1    3.809     0.020   .   1   .   .   .   A   12   GLY   HA3    .   25574   1
      95    .   1   1   12   12   GLY   CA     C   13   46.644    0.3     .   1   .   .   .   A   12   GLY   CA     .   25574   1
      96    .   1   1   13   13   GLY   H      H   1    8.620     0.020   .   1   .   .   .   A   13   GLY   H      .   25574   1
      97    .   1   1   13   13   GLY   HA2    H   1    3.702     0.020   .   2   .   .   .   A   13   GLY   HA2    .   25574   1
      98    .   1   1   13   13   GLY   HA3    H   1    4.036     0.020   .   2   .   .   .   A   13   GLY   HA3    .   25574   1
      99    .   1   1   13   13   GLY   CA     C   13   44.986    0.3     .   1   .   .   .   A   13   GLY   CA     .   25574   1
      100   .   1   1   14   14   LEU   H      H   1    7.063     0.020   .   1   .   .   .   A   14   LEU   H      .   25574   1
      101   .   1   1   14   14   LEU   HA     H   1    4.283     0.020   .   1   .   .   .   A   14   LEU   HA     .   25574   1
      102   .   1   1   14   14   LEU   HB2    H   1    1.720     0.020   .   1   .   .   .   A   14   LEU   HB2    .   25574   1
      103   .   1   1   14   14   LEU   HB3    H   1    1.341     0.020   .   1   .   .   .   A   14   LEU   HB3    .   25574   1
      104   .   1   1   14   14   LEU   HG     H   1    1.576     0.020   .   1   .   .   .   A   14   LEU   HG     .   25574   1
      105   .   1   1   14   14   LEU   HD11   H   1    0.719     0.020   .   1   .   .   .   A   14   LEU   HD11   .   25574   1
      106   .   1   1   14   14   LEU   HD12   H   1    0.719     0.020   .   1   .   .   .   A   14   LEU   HD12   .   25574   1
      107   .   1   1   14   14   LEU   HD13   H   1    0.719     0.020   .   1   .   .   .   A   14   LEU   HD13   .   25574   1
      108   .   1   1   14   14   LEU   HD21   H   1    0.581     0.020   .   1   .   .   .   A   14   LEU   HD21   .   25574   1
      109   .   1   1   14   14   LEU   HD22   H   1    0.581     0.020   .   1   .   .   .   A   14   LEU   HD22   .   25574   1
      110   .   1   1   14   14   LEU   HD23   H   1    0.581     0.020   .   1   .   .   .   A   14   LEU   HD23   .   25574   1
      111   .   1   1   14   14   LEU   CA     C   13   54.306    0.3     .   1   .   .   .   A   14   LEU   CA     .   25574   1
      112   .   1   1   14   14   LEU   CB     C   13   42.029    0.3     .   1   .   .   .   A   14   LEU   CB     .   25574   1
      113   .   1   1   14   14   LEU   CG     C   13   27.376    0.3     .   1   .   .   .   A   14   LEU   CG     .   25574   1
      114   .   1   1   14   14   LEU   CD1    C   13   25.324    0.3     .   1   .   .   .   A   14   LEU   CD1    .   25574   1
      115   .   1   1   14   14   LEU   CD2    C   13   22.204    0.3     .   1   .   .   .   A   14   LEU   CD2    .   25574   1
      116   .   1   1   15   15   CYS   H      H   1    9.046     0.020   .   1   .   .   .   A   15   CYS   H      .   25574   1
      117   .   1   1   15   15   CYS   HA     H   1    4.442     0.020   .   1   .   .   .   A   15   CYS   HA     .   25574   1
      118   .   1   1   15   15   CYS   HB2    H   1    2.551     0.020   .   1   .   .   .   A   15   CYS   HB2    .   25574   1
      119   .   1   1   15   15   CYS   HB3    H   1    3.746     0.020   .   1   .   .   .   A   15   CYS   HB3    .   25574   1
      120   .   1   1   15   15   CYS   CA     C   13   54.052    0.3     .   1   .   .   .   A   15   CYS   CA     .   25574   1
      121   .   1   1   15   15   CYS   CB     C   13   50.309    0.3     .   1   .   .   .   A   15   CYS   CB     .   25574   1
      122   .   1   1   16   16   CYS   H      H   1    8.685     0.020   .   1   .   .   .   A   16   CYS   H      .   25574   1
      123   .   1   1   16   16   CYS   HA     H   1    4.800     0.020   .   1   .   .   .   A   16   CYS   HA     .   25574   1
      124   .   1   1   16   16   CYS   HB2    H   1    2.758     0.020   .   2   .   .   .   A   16   CYS   HB2    .   25574   1
      125   .   1   1   16   16   CYS   HB3    H   1    2.896     0.020   .   2   .   .   .   A   16   CYS   HB3    .   25574   1
      126   .   1   1   16   16   CYS   CA     C   13   55.835    0.3     .   1   .   .   .   A   16   CYS   CA     .   25574   1
      127   .   1   1   16   16   CYS   CB     C   13   41.284    0.3     .   1   .   .   .   A   16   CYS   CB     .   25574   1
      128   .   1   1   17   17   SER   H      H   1    9.830     0.020   .   1   .   .   .   A   17   SER   H      .   25574   1
      129   .   1   1   17   17   SER   HA     H   1    4.892     0.020   .   1   .   .   .   A   17   SER   HA     .   25574   1
      130   .   1   1   17   17   SER   HB2    H   1    4.359     0.020   .   1   .   .   .   A   17   SER   HB2    .   25574   1
      131   .   1   1   17   17   SER   HB3    H   1    4.304     0.020   .   1   .   .   .   A   17   SER   HB3    .   25574   1
      132   .   1   1   17   17   SER   HG     H   1    6.276     0.020   .   1   .   .   .   A   17   SER   HG     .   25574   1
      133   .   1   1   17   17   SER   CA     C   13   57.178    0.3     .   1   .   .   .   A   17   SER   CA     .   25574   1
      134   .   1   1   17   17   SER   CB     C   13   66.501    0.3     .   1   .   .   .   A   17   SER   CB     .   25574   1
      135   .   1   1   18   18   LYS   H      H   1    8.916     0.020   .   1   .   .   .   A   18   LYS   H      .   25574   1
      136   .   1   1   18   18   LYS   HA     H   1    4.021     0.020   .   1   .   .   .   A   18   LYS   HA     .   25574   1
      137   .   1   1   18   18   LYS   HB2    H   1    1.473     0.020   .   2   .   .   .   A   18   LYS   HB2    .   25574   1
      138   .   1   1   18   18   LYS   HB3    H   1    1.541     0.020   .   2   .   .   .   A   18   LYS   HB3    .   25574   1
      139   .   1   1   18   18   LYS   HG2    H   1    0.665     0.020   .   2   .   .   .   A   18   LYS   HG2    .   25574   1
      140   .   1   1   18   18   LYS   HG3    H   1    1.048     0.020   .   2   .   .   .   A   18   LYS   HG3    .   25574   1
      141   .   1   1   18   18   LYS   HD2    H   1    1.440     0.020   .   1   .   .   .   A   18   LYS   HD2    .   25574   1
      142   .   1   1   18   18   LYS   HD3    H   1    1.440     0.020   .   1   .   .   .   A   18   LYS   HD3    .   25574   1
      143   .   1   1   18   18   LYS   HE2    H   1    2.793     0.020   .   1   .   .   .   A   18   LYS   HE2    .   25574   1
      144   .   1   1   18   18   LYS   HE3    H   1    2.793     0.020   .   1   .   .   .   A   18   LYS   HE3    .   25574   1
      145   .   1   1   18   18   LYS   CA     C   13   57.853    0.3     .   1   .   .   .   A   18   LYS   CA     .   25574   1
      146   .   1   1   18   18   LYS   CB     C   13   31.323    0.3     .   1   .   .   .   A   18   LYS   CB     .   25574   1
      147   .   1   1   18   18   LYS   CG     C   13   23.568    0.3     .   1   .   .   .   A   18   LYS   CG     .   25574   1
      148   .   1   1   18   18   LYS   CD     C   13   28.764    0.3     .   1   .   .   .   A   18   LYS   CD     .   25574   1
      149   .   1   1   18   18   LYS   CE     C   13   41.491    0.3     .   1   .   .   .   A   18   LYS   CE     .   25574   1
      150   .   1   1   19   19   TYR   H      H   1    7.406     0.020   .   1   .   .   .   A   19   TYR   H      .   25574   1
      151   .   1   1   19   19   TYR   HA     H   1    4.627     0.020   .   1   .   .   .   A   19   TYR   HA     .   25574   1
      152   .   1   1   19   19   TYR   HB2    H   1    2.703     0.020   .   1   .   .   .   A   19   TYR   HB2    .   25574   1
      153   .   1   1   19   19   TYR   HB3    H   1    3.531     0.020   .   1   .   .   .   A   19   TYR   HB3    .   25574   1
      154   .   1   1   19   19   TYR   HD1    H   1    7.126     0.020   .   1   .   .   .   A   19   TYR   HD1    .   25574   1
      155   .   1   1   19   19   TYR   HD2    H   1    7.126     0.020   .   1   .   .   .   A   19   TYR   HD2    .   25574   1
      156   .   1   1   19   19   TYR   HE1    H   1    6.807     0.020   .   1   .   .   .   A   19   TYR   HE1    .   25574   1
      157   .   1   1   19   19   TYR   HE2    H   1    6.807     0.020   .   1   .   .   .   A   19   TYR   HE2    .   25574   1
      158   .   1   1   19   19   TYR   CA     C   13   56.866    0.3     .   1   .   .   .   A   19   TYR   CA     .   25574   1
      159   .   1   1   19   19   TYR   CB     C   13   38.390    0.3     .   1   .   .   .   A   19   TYR   CB     .   25574   1
      160   .   1   1   19   19   TYR   CD1    C   13   132.683   0.3     .   1   .   .   .   A   19   TYR   CD1    .   25574   1
      161   .   1   1   19   19   TYR   CD2    C   13   132.683   0.3     .   1   .   .   .   A   19   TYR   CD2    .   25574   1
      162   .   1   1   19   19   TYR   CE1    C   13   117.920   0.3     .   1   .   .   .   A   19   TYR   CE1    .   25574   1
      163   .   1   1   19   19   TYR   CE2    C   13   117.920   0.3     .   1   .   .   .   A   19   TYR   CE2    .   25574   1
      164   .   1   1   20   20   GLY   H      H   1    7.960     0.020   .   1   .   .   .   A   20   GLY   H      .   25574   1
      165   .   1   1   20   20   GLY   HA2    H   1    3.545     0.020   .   2   .   .   .   A   20   GLY   HA2    .   25574   1
      166   .   1   1   20   20   GLY   HA3    H   1    3.957     0.020   .   2   .   .   .   A   20   GLY   HA3    .   25574   1
      167   .   1   1   20   20   GLY   CA     C   13   46.476    0.3     .   1   .   .   .   A   20   GLY   CA     .   25574   1
      168   .   1   1   21   21   TYR   H      H   1    7.518     0.020   .   1   .   .   .   A   21   TYR   H      .   25574   1
      169   .   1   1   21   21   TYR   HA     H   1    5.067     0.020   .   1   .   .   .   A   21   TYR   HA     .   25574   1
      170   .   1   1   21   21   TYR   HB2    H   1    2.863     0.020   .   1   .   .   .   A   21   TYR   HB2    .   25574   1
      171   .   1   1   21   21   TYR   HB3    H   1    3.254     0.020   .   1   .   .   .   A   21   TYR   HB3    .   25574   1
      172   .   1   1   21   21   TYR   HD1    H   1    6.901     0.020   .   1   .   .   .   A   21   TYR   HD1    .   25574   1
      173   .   1   1   21   21   TYR   HD2    H   1    6.901     0.020   .   1   .   .   .   A   21   TYR   HD2    .   25574   1
      174   .   1   1   21   21   TYR   HE1    H   1    6.775     0.020   .   1   .   .   .   A   21   TYR   HE1    .   25574   1
      175   .   1   1   21   21   TYR   HE2    H   1    6.775     0.020   .   1   .   .   .   A   21   TYR   HE2    .   25574   1
      176   .   1   1   21   21   TYR   CA     C   13   57.097    0.3     .   1   .   .   .   A   21   TYR   CA     .   25574   1
      177   .   1   1   21   21   TYR   CB     C   13   42.270    0.3     .   1   .   .   .   A   21   TYR   CB     .   25574   1
      178   .   1   1   21   21   TYR   CD1    C   13   133.097   0.3     .   1   .   .   .   A   21   TYR   CD1    .   25574   1
      179   .   1   1   21   21   TYR   CD2    C   13   133.097   0.3     .   1   .   .   .   A   21   TYR   CD2    .   25574   1
      180   .   1   1   21   21   TYR   CE1    C   13   117.890   0.3     .   1   .   .   .   A   21   TYR   CE1    .   25574   1
      181   .   1   1   21   21   TYR   CE2    C   13   117.890   0.3     .   1   .   .   .   A   21   TYR   CE2    .   25574   1
      182   .   1   1   22   22   CYS   H      H   1    8.725     0.020   .   1   .   .   .   A   22   CYS   H      .   25574   1
      183   .   1   1   22   22   CYS   HA     H   1    5.564     0.020   .   1   .   .   .   A   22   CYS   HA     .   25574   1
      184   .   1   1   22   22   CYS   HB2    H   1    2.757     0.020   .   1   .   .   .   A   22   CYS   HB2    .   25574   1
      185   .   1   1   22   22   CYS   HB3    H   1    2.712     0.020   .   1   .   .   .   A   22   CYS   HB3    .   25574   1
      186   .   1   1   22   22   CYS   CA     C   13   54.074    0.3     .   1   .   .   .   A   22   CYS   CA     .   25574   1
      187   .   1   1   22   22   CYS   CB     C   13   43.146    0.3     .   1   .   .   .   A   22   CYS   CB     .   25574   1
      188   .   1   1   23   23   GLY   H      H   1    8.751     0.020   .   1   .   .   .   A   23   GLY   H      .   25574   1
      189   .   1   1   23   23   GLY   HA2    H   1    3.563     0.020   .   1   .   .   .   A   23   GLY   HA2    .   25574   1
      190   .   1   1   23   23   GLY   HA3    H   1    1.937     0.020   .   1   .   .   .   A   23   GLY   HA3    .   25574   1
      191   .   1   1   23   23   GLY   CA     C   13   45.008    0.3     .   1   .   .   .   A   23   GLY   CA     .   25574   1
      192   .   1   1   24   24   SER   H      H   1    7.967     0.020   .   1   .   .   .   A   24   SER   H      .   25574   1
      193   .   1   1   24   24   SER   HA     H   1    5.091     0.020   .   1   .   .   .   A   24   SER   HA     .   25574   1
      194   .   1   1   24   24   SER   HB2    H   1    3.680     0.020   .   2   .   .   .   A   24   SER   HB2    .   25574   1
      195   .   1   1   24   24   SER   HB3    H   1    3.733     0.020   .   2   .   .   .   A   24   SER   HB3    .   25574   1
      196   .   1   1   24   24   SER   CA     C   13   56.600    0.3     .   1   .   .   .   A   24   SER   CA     .   25574   1
      197   .   1   1   24   24   SER   CB     C   13   65.722    0.3     .   1   .   .   .   A   24   SER   CB     .   25574   1
      198   .   1   1   25   25   GLY   H      H   1    8.271     0.020   .   1   .   .   .   A   25   GLY   H      .   25574   1
      199   .   1   1   25   25   GLY   HA2    H   1    3.951     0.020   .   1   .   .   .   A   25   GLY   HA2    .   25574   1
      200   .   1   1   25   25   GLY   HA3    H   1    4.536     0.020   .   1   .   .   .   A   25   GLY   HA3    .   25574   1
      201   .   1   1   25   25   GLY   CA     C   13   44.720    0.3     .   1   .   .   .   A   25   GLY   CA     .   25574   1
      202   .   1   1   26   26   PRO   HA     H   1    4.290     0.020   .   1   .   .   .   A   26   PRO   HA     .   25574   1
      203   .   1   1   26   26   PRO   HB2    H   1    1.921     0.020   .   1   .   .   .   A   26   PRO   HB2    .   25574   1
      204   .   1   1   26   26   PRO   HB3    H   1    2.317     0.020   .   1   .   .   .   A   26   PRO   HB3    .   25574   1
      205   .   1   1   26   26   PRO   HG2    H   1    2.069     0.020   .   1   .   .   .   A   26   PRO   HG2    .   25574   1
      206   .   1   1   26   26   PRO   HG3    H   1    2.003     0.020   .   1   .   .   .   A   26   PRO   HG3    .   25574   1
      207   .   1   1   26   26   PRO   HD2    H   1    3.787     0.020   .   1   .   .   .   A   26   PRO   HD2    .   25574   1
      208   .   1   1   26   26   PRO   HD3    H   1    3.630     0.020   .   1   .   .   .   A   26   PRO   HD3    .   25574   1
      209   .   1   1   26   26   PRO   CA     C   13   65.282    0.3     .   1   .   .   .   A   26   PRO   CA     .   25574   1
      210   .   1   1   26   26   PRO   CB     C   13   31.904    0.3     .   1   .   .   .   A   26   PRO   CB     .   25574   1
      211   .   1   1   26   26   PRO   CG     C   13   27.140    0.3     .   1   .   .   .   A   26   PRO   CG     .   25574   1
      212   .   1   1   26   26   PRO   CD     C   13   49.753    0.3     .   1   .   .   .   A   26   PRO   CD     .   25574   1
      213   .   1   1   27   27   ALA   H      H   1    8.685     0.020   .   1   .   .   .   A   27   ALA   H      .   25574   1
      214   .   1   1   27   27   ALA   HA     H   1    4.108     0.020   .   1   .   .   .   A   27   ALA   HA     .   25574   1
      215   .   1   1   27   27   ALA   HB1    H   1    1.258     0.020   .   1   .   .   .   A   27   ALA   HB1    .   25574   1
      216   .   1   1   27   27   ALA   HB2    H   1    1.258     0.020   .   1   .   .   .   A   27   ALA   HB2    .   25574   1
      217   .   1   1   27   27   ALA   HB3    H   1    1.258     0.020   .   1   .   .   .   A   27   ALA   HB3    .   25574   1
      218   .   1   1   27   27   ALA   CA     C   13   53.743    0.3     .   1   .   .   .   A   27   ALA   CA     .   25574   1
      219   .   1   1   27   27   ALA   CB     C   13   17.939    0.3     .   1   .   .   .   A   27   ALA   CB     .   25574   1
      220   .   1   1   28   28   TYR   H      H   1    7.708     0.020   .   1   .   .   .   A   28   TYR   H      .   25574   1
      221   .   1   1   28   28   TYR   HA     H   1    4.119     0.020   .   1   .   .   .   A   28   TYR   HA     .   25574   1
      222   .   1   1   28   28   TYR   HB2    H   1    2.444     0.020   .   1   .   .   .   A   28   TYR   HB2    .   25574   1
      223   .   1   1   28   28   TYR   HB3    H   1    2.838     0.020   .   1   .   .   .   A   28   TYR   HB3    .   25574   1
      224   .   1   1   28   28   TYR   HD1    H   1    7.180     0.020   .   1   .   .   .   A   28   TYR   HD1    .   25574   1
      225   .   1   1   28   28   TYR   HD2    H   1    7.180     0.020   .   1   .   .   .   A   28   TYR   HD2    .   25574   1
      226   .   1   1   28   28   TYR   HE1    H   1    6.680     0.020   .   1   .   .   .   A   28   TYR   HE1    .   25574   1
      227   .   1   1   28   28   TYR   HE2    H   1    6.680     0.020   .   1   .   .   .   A   28   TYR   HE2    .   25574   1
      228   .   1   1   28   28   TYR   CA     C   13   51.764    0.3     .   1   .   .   .   A   28   TYR   CA     .   25574   1
      229   .   1   1   28   28   TYR   CB     C   13   41.164    0.3     .   1   .   .   .   A   28   TYR   CB     .   25574   1
      230   .   1   1   28   28   TYR   CD1    C   13   134.216   0.3     .   1   .   .   .   A   28   TYR   CD1    .   25574   1
      231   .   1   1   28   28   TYR   CD2    C   13   134.216   0.3     .   1   .   .   .   A   28   TYR   CD2    .   25574   1
      232   .   1   1   28   28   TYR   CE1    C   13   117.732   0.3     .   1   .   .   .   A   28   TYR   CE1    .   25574   1
      233   .   1   1   28   28   TYR   CE2    C   13   117.732   0.3     .   1   .   .   .   A   28   TYR   CE2    .   25574   1
      234   .   1   1   29   29   CYS   H      H   1    8.470     0.020   .   1   .   .   .   A   29   CYS   H      .   25574   1
      235   .   1   1   29   29   CYS   HA     H   1    4.521     0.020   .   1   .   .   .   A   29   CYS   HA     .   25574   1
      236   .   1   1   29   29   CYS   HB2    H   1    2.765     0.020   .   1   .   .   .   A   29   CYS   HB2    .   25574   1
      237   .   1   1   29   29   CYS   HB3    H   1    3.268     0.020   .   1   .   .   .   A   29   CYS   HB3    .   25574   1
      238   .   1   1   29   29   CYS   CA     C   13   54.982    0.3     .   1   .   .   .   A   29   CYS   CA     .   25574   1
      239   .   1   1   29   29   CYS   CB     C   13   43.058    0.3     .   1   .   .   .   A   29   CYS   CB     .   25574   1
      240   .   1   1   30   30   GLY   H      H   1    7.777     0.020   .   1   .   .   .   A   30   GLY   H      .   25574   1
      241   .   1   1   30   30   GLY   HA2    H   1    3.721     0.020   .   2   .   .   .   A   30   GLY   HA2    .   25574   1
      242   .   1   1   30   30   GLY   HA3    H   1    3.790     0.020   .   2   .   .   .   A   30   GLY   HA3    .   25574   1
      243   .   1   1   30   30   GLY   CA     C   13   45.994    0.3     .   1   .   .   .   A   30   GLY   CA     .   25574   1
   stop_
save_