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                      27752
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          .
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $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   '2D DQF-COSY'      .   .   .   27752   1
      2   '2D 1H-1H TOCSY'   .   .   .   27752   1
      4   '2D 1H-13C HSQC'   .   .   .   27752   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   $SPARKY   .   .   27752   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    BMT   HA     H   1    5.434   0.005   .   1   .   .   .   .   .   1    BMT   HA    .    27752   1
      2     .   1   .   1   1    1    BMT   HB     H   1    3.796   0.005   .   1   .   .   .   .   .   1    BMT   HB    .    27752   1
      3     .   1   .   1   1    1    BMT   HG1    H   1    1.62    0.05    .   1   .   .   .   .   .   1    BMT   HG1   OH   27752   1
      4     .   1   .   1   1    1    BMT   HG2    H   1    1.653   0.005   .   1   .   .   .   .   .   1    BMT   HG2   .    27752   1
      5     .   1   .   1   1    1    BMT   HD22   H   1    2.413   0.005   .   2   .   .   .   .   .   1    BMT   HD2   .    27752   1
      6     .   1   .   1   1    1    BMT   HD23   H   1    1.663   0.005   .   2   .   .   .   .   .   1    BMT   HD3   .    27752   1
      7     .   1   .   1   1    1    BMT   HE     H   1    5.35    0.01    .   1   .   .   .   .   .   1    BMT   HE    .    27752   1
      8     .   1   .   1   1    1    BMT   HZ     H   1    5.35    0.01    .   1   .   .   .   .   .   1    BMT   HZ    .    27752   1
      9     .   1   .   1   1    1    BMT   C      C   13   169.8   0.3     .   1   .   .   .   .   .   1    BMT   C     .    27752   1
      10    .   1   .   1   1    1    BMT   CA     C   13   58.8    0.3     .   1   .   .   .   .   .   1    BMT   CA    .    27752   1
      11    .   1   .   1   1    1    BMT   CB     C   13   74.7    0.3     .   1   .   .   .   .   .   1    BMT   CB    .    27752   1
      12    .   1   .   1   1    1    BMT   CG2    C   13   36.0    0.3     .   1   .   .   .   .   .   1    BMT   CG2   .    27752   1
      13    .   1   .   1   1    1    BMT   CD1    C   13   16.7    0.3     .   1   .   .   .   .   .   1    BMT   CD1   .    27752   1
      14    .   1   .   1   1    1    BMT   CD2    C   13   35.7    0.3     .   1   .   .   .   .   .   1    BMT   CD2   .    27752   1
      15    .   1   .   1   1    1    BMT   CE     C   13   129.6   0.3     .   1   .   .   .   .   .   1    BMT   CE    .    27752   1
      16    .   1   .   1   1    1    BMT   CZ     C   13   126.4   0.3     .   1   .   .   .   .   .   1    BMT   CZ    .    27752   1
      17    .   1   .   1   1    1    BMT   CH     C   13   17.9    0.3     .   1   .   .   .   .   .   1    BMT   CH    .    27752   1
      18    .   1   .   1   1    1    BMT   CN     C   13   33.8    0.3     .   1   .   .   .   .   .   1    BMT   NC    .    27752   1
      19    .   1   .   1   1    1    BMT   HN1    H   1    3.484   0.005   .   1   .   .   .   .   .   1    BMT   NCH   .    27752   1
      20    .   1   .   1   1    1    BMT   HN2    H   1    3.484   0.005   .   1   .   .   .   .   .   1    BMT   NCH   .    27752   1
      21    .   1   .   1   1    1    BMT   HN3    H   1    3.484   0.005   .   1   .   .   .   .   .   1    BMT   NCH   .    27752   1
      22    .   1   .   1   1    1    BMT   HD11   H   1    0.711   0.005   .   1   .   3   .   .   .   1    BMT   MD1   .    27752   1
      23    .   1   .   1   1    1    BMT   HD12   H   1    0.711   0.005   .   1   .   3   .   .   .   1    BMT   MD1   .    27752   1
      24    .   1   .   1   1    1    BMT   HD13   H   1    0.711   0.005   .   1   .   3   .   .   .   1    BMT   MD1   .    27752   1
      25    .   1   .   1   1    1    BMT   HH1    H   1    1.624   0.005   .   1   .   3   .   .   .   1    BMT   MH    .    27752   1
      26    .   1   .   1   1    1    BMT   HH2    H   1    1.624   0.005   .   1   .   3   .   .   .   1    BMT   MH    .    27752   1
      27    .   1   .   1   1    1    BMT   HH3    H   1    1.624   0.005   .   1   .   3   .   .   .   1    BMT   MH    .    27752   1
      28    .   1   .   1   2    2    ALA   H      H   1    8.026   0.005   .   1   .   .   .   .   .   2    ALA   H     .    27752   1
      29    .   1   .   1   2    2    ALA   HA     H   1    5.247   0.005   .   1   .   .   .   .   .   2    ALA   HA    .    27752   1
      30    .   1   .   1   2    2    ALA   HB1    H   1    1.258   0.005   .   1   .   3   .   .   .   2    ALA   MB    .    27752   1
      31    .   1   .   1   2    2    ALA   HB2    H   1    1.258   0.005   .   1   .   3   .   .   .   2    ALA   MB    .    27752   1
      32    .   1   .   1   2    2    ALA   HB3    H   1    1.258   0.005   .   1   .   3   .   .   .   2    ALA   MB    .    27752   1
      33    .   1   .   1   2    2    ALA   C      C   13   174.0   0.3     .   1   .   .   .   .   .   2    ALA   C     .    27752   1
      34    .   1   .   1   2    2    ALA   CA     C   13   42.8    0.3     .   1   .   .   .   .   .   2    ALA   CA    .    27752   1
      35    .   1   .   1   2    2    ALA   CB     C   13   17.7    0.3     .   1   .   .   .   .   .   2    ALA   CB    .    27752   1
      36    .   1   .   1   3    3    SAR   HA2    H   1    4.721   0.005   .   2   .   .   .   .   .   3    SAR   HA2   .    27752   1
      37    .   1   .   1   3    3    SAR   HA3    H   1    3.201   0.005   .   2   .   .   .   .   .   3    SAR   HA3   .    27752   1
      38    .   1   .   1   3    3    SAR   C      C   13   171.1   0.3     .   1   .   .   .   .   .   3    SAR   C     .    27752   1
      39    .   1   .   1   3    3    SAR   CA     C   13   50.3    0.3     .   1   .   .   .   .   .   3    SAR   CA    .    27752   1
      40    .   1   .   1   3    3    SAR   CN     C   13   39.4    0.3     .   1   .   .   .   .   .   3    SAR   NC    .    27752   1
      41    .   1   .   1   3    3    SAR   HN1    H   1    3.394   0.005   .   1   .   .   .   .   .   3    SAR   NCH   .    27752   1
      42    .   1   .   1   3    3    SAR   HN2    H   1    3.394   0.005   .   1   .   .   .   .   .   3    SAR   NCH   .    27752   1
      43    .   1   .   1   3    3    SAR   HN3    H   1    3.394   0.005   .   1   .   .   .   .   .   3    SAR   NCH   .    27752   1
      44    .   1   .   1   4    4    MLE   HA     H   1    5.33    0.01    .   1   .   .   .   .   .   4    MLE   HA    .    27752   1
      45    .   1   .   1   4    4    MLE   HB2    H   1    1.994   0.005   .   2   .   .   .   .   .   4    MLE   HB2   .    27752   1
      46    .   1   .   1   4    4    MLE   HB3    H   1    1.615   0.005   .   2   .   .   .   .   .   4    MLE   HB3   .    27752   1
      47    .   1   .   1   4    4    MLE   HG     H   1    1.733   0.005   .   1   .   .   .   .   .   4    MLE   HG    .    27752   1
      48    .   1   .   1   4    4    MLE   C      C   13   170.0   0.3     .   1   .   .   .   .   .   4    MLE   C     .    27752   1
      49    .   1   .   1   4    4    MLE   CA     C   13   55.5    0.3     .   1   .   .   .   .   .   4    MLE   CA    .    27752   1
      50    .   1   .   1   4    4    MLE   CB     C   13   36.0    0.3     .   1   .   .   .   .   .   4    MLE   CB    .    27752   1
      51    .   1   .   1   4    4    MLE   CG     C   13   24.9    0.3     .   1   .   .   .   .   .   4    MLE   CG    .    27752   1
      52    .   1   .   1   4    4    MLE   CD1    C   13   23.3    0.3     .   1   .   .   .   .   .   4    MLE   CD1   .    27752   1
      53    .   1   .   1   4    4    MLE   CD2    C   13   21.2    0.3     .   1   .   .   .   .   .   4    MLE   CD2   .    27752   1
      54    .   1   .   1   4    4    MLE   CN     C   13   31.3    0.3     .   1   .   .   .   .   .   4    MLE   NC    .    27752   1
      55    .   1   .   1   4    4    MLE   HN1    H   1    3.101   0.005   .   1   .   .   .   .   .   4    MLE   NCH   .    27752   1
      56    .   1   .   1   4    4    MLE   HN2    H   1    3.101   0.005   .   1   .   .   .   .   .   4    MLE   NCH   .    27752   1
      57    .   1   .   1   4    4    MLE   HN3    H   1    3.101   0.005   .   1   .   .   .   .   .   4    MLE   NCH   .    27752   1
      58    .   1   .   1   4    4    MLE   HD11   H   1    0.942   0.005   .   1   .   3   .   .   .   4    MLE   MD1   .    27752   1
      59    .   1   .   1   4    4    MLE   HD12   H   1    0.942   0.005   .   1   .   3   .   .   .   4    MLE   MD1   .    27752   1
      60    .   1   .   1   4    4    MLE   HD13   H   1    0.942   0.005   .   1   .   3   .   .   .   4    MLE   MD1   .    27752   1
      61    .   1   .   1   4    4    MLE   HD21   H   1    0.873   0.005   .   1   .   3   .   .   .   4    MLE   MD2   .    27752   1
      62    .   1   .   1   4    4    MLE   HD22   H   1    0.873   0.005   .   1   .   3   .   .   .   4    MLE   MD2   .    27752   1
      63    .   1   .   1   4    4    MLE   HD23   H   1    0.873   0.005   .   1   .   3   .   .   .   4    MLE   MD2   .    27752   1
      64    .   1   .   1   5    5    VAL   H      H   1    7.401   0.005   .   1   .   .   .   .   .   5    VAL   H     .    27752   1
      65    .   1   .   1   5    5    VAL   HA     H   1    4.684   0.005   .   1   .   .   .   .   .   5    VAL   HA    .    27752   1
      66    .   1   .   1   5    5    VAL   HB     H   1    2.443   0.005   .   1   .   .   .   .   .   5    VAL   HB    .    27752   1
      67    .   1   .   1   5    5    VAL   HG11   H   1    1.075   0.005   .   1   .   3   .   .   .   5    VAL   MG1   .    27752   1
      68    .   1   .   1   5    5    VAL   HG12   H   1    1.075   0.005   .   1   .   3   .   .   .   5    VAL   MG1   .    27752   1
      69    .   1   .   1   5    5    VAL   HG13   H   1    1.075   0.005   .   1   .   3   .   .   .   5    VAL   MG1   .    27752   1
      70    .   1   .   1   5    5    VAL   HG21   H   1    0.908   0.005   .   1   .   3   .   .   .   5    VAL   MG2   .    27752   1
      71    .   1   .   1   5    5    VAL   HG22   H   1    0.908   0.005   .   1   .   3   .   .   .   5    VAL   MG2   .    27752   1
      72    .   1   .   1   5    5    VAL   HG23   H   1    0.908   0.005   .   1   .   3   .   .   .   5    VAL   MG2   .    27752   1
      73    .   1   .   1   5    5    VAL   C      C   13   173.6   0.3     .   1   .   .   .   .   .   5    VAL   C     .    27752   1
      74    .   1   .   1   5    5    VAL   CA     C   13   55.3    0.3     .   1   .   .   .   .   .   5    VAL   CA    .    27752   1
      75    .   1   .   1   5    5    VAL   CB     C   13   31.2    0.3     .   1   .   .   .   .   .   5    VAL   CB    .    27752   1
      76    .   1   .   1   5    5    VAL   CG1    C   13   19.8    0.3     .   1   .   .   .   .   .   5    VAL   CG1   .    27752   1
      77    .   1   .   1   5    5    VAL   CG2    C   13   18.5    0.3     .   1   .   .   .   .   .   5    VAL   CG2   .    27752   1
      78    .   1   .   1   6    6    MLE   HA     H   1    4.981   0.005   .   1   .   .   .   .   .   6    MLE   HA    .    27752   1
      79    .   1   .   1   6    6    MLE   HB2    H   1    2.022   0.005   .   2   .   .   .   .   .   6    MLE   HB2   .    27752   1
      80    .   1   .   1   6    6    MLE   HB3    H   1    1.415   0.005   .   2   .   .   .   .   .   6    MLE   HB3   .    27752   1
      81    .   1   .   1   6    6    MLE   HG     H   1    1.733   0.005   .   1   .   .   .   .   .   6    MLE   HG    .    27752   1
      82    .   1   .   1   6    6    MLE   C      C   13   171.6   0.3     .   1   .   .   .   .   .   6    MLE   C     .    27752   1
      83    .   1   .   1   6    6    MLE   CA     C   13   55.4    0.3     .   1   .   .   .   .   .   6    MLE   CA    .    27752   1
      84    .   1   .   1   6    6    MLE   CB     C   13   37.4    0.3     .   1   .   .   .   .   .   6    MLE   CB    .    27752   1
      85    .   1   .   1   6    6    MLE   CG     C   13   25.4    0.3     .   1   .   .   .   .   .   6    MLE   CG    .    27752   1
      86    .   1   .   1   6    6    MLE   CD1    C   13   23.7    0.3     .   1   .   .   .   .   .   6    MLE   CD1   .    27752   1
      87    .   1   .   1   6    6    MLE   CD2    C   13   22.0    0.3     .   1   .   .   .   .   .   6    MLE   CD2   .    27752   1
      88    .   1   .   1   6    6    MLE   CN     C   13   31.6    0.3     .   1   .   .   .   .   .   6    MLE   NC    .    27752   1
      89    .   1   .   1   6    6    MLE   HN1    H   1    3.242   0.005   .   1   .   .   .   .   .   6    MLE   NCH   .    27752   1
      90    .   1   .   1   6    6    MLE   HN2    H   1    3.242   0.005   .   1   .   .   .   .   .   6    MLE   NCH   .    27752   1
      91    .   1   .   1   6    6    MLE   HN3    H   1    3.242   0.005   .   1   .   .   .   .   .   6    MLE   NCH   .    27752   1
      92    .   1   .   1   6    6    MLE   HD11   H   1    0.926   0.005   .   1   .   3   .   .   .   6    MLE   MD1   .    27752   1
      93    .   1   .   1   6    6    MLE   HD12   H   1    0.926   0.005   .   1   .   3   .   .   .   6    MLE   MD1   .    27752   1
      94    .   1   .   1   6    6    MLE   HD13   H   1    0.926   0.005   .   1   .   3   .   .   .   6    MLE   MD1   .    27752   1
      95    .   1   .   1   6    6    MLE   HD21   H   1    0.841   0.005   .   1   .   3   .   .   .   6    MLE   MD2   .    27752   1
      96    .   1   .   1   6    6    MLE   HD22   H   1    0.841   0.005   .   1   .   3   .   .   .   6    MLE   MD2   .    27752   1
      97    .   1   .   1   6    6    MLE   HD23   H   1    0.841   0.005   .   1   .   3   .   .   .   6    MLE   MD2   .    27752   1
      98    .   1   .   1   7    7    ALA   H      H   1    7.632   0.005   .   1   .   .   .   .   .   7    ALA   H     .    27752   1
      99    .   1   .   1   7    7    ALA   HA     H   1    4.518   0.005   .   1   .   .   .   .   .   7    ALA   HA    .    27752   1
      100   .   1   .   1   7    7    ALA   HB1    H   1    1.357   0.005   .   1   .   3   .   .   .   7    ALA   MB    .    27752   1
      101   .   1   .   1   7    7    ALA   HB2    H   1    1.357   0.005   .   1   .   3   .   .   .   7    ALA   MB    .    27752   1
      102   .   1   .   1   7    7    ALA   HB3    H   1    1.357   0.005   .   1   .   3   .   .   .   7    ALA   MB    .    27752   1
      103   .   1   .   1   7    7    ALA   C      C   13   171.2   0.3     .   1   .   .   .   .   .   7    ALA   C     .    27752   1
      104   .   1   .   1   7    7    ALA   CA     C   13   48.7    0.3     .   1   .   .   .   .   .   7    ALA   CA    .    27752   1
      105   .   1   .   1   7    7    ALA   CB     C   13   16.1    0.3     .   1   .   .   .   .   .   7    ALA   CB    .    27752   1
      106   .   1   .   1   8    8    DAL   H      H   1    7.145   0.005   .   1   .   .   .   .   .   8    ALA   H     .    27752   1
      107   .   1   .   1   8    8    DAL   HA     H   1    4.821   0.005   .   1   .   .   .   .   .   8    ALA   HA    .    27752   1
      108   .   1   .   1   8    8    DAL   HB1    H   1    1.256   0.005   .   1   .   3   .   .   .   8    ALA   MB    .    27752   1
      109   .   1   .   1   8    8    DAL   HB2    H   1    1.256   0.005   .   1   .   3   .   .   .   8    ALA   MB    .    27752   1
      110   .   1   .   1   8    8    DAL   HB3    H   1    1.256   0.005   .   1   .   3   .   .   .   8    ALA   MB    .    27752   1
      111   .   1   .   1   8    8    DAL   C      C   13   173.4   0.3     .   1   .   .   .   .   .   8    ALA   C     .    27752   1
      112   .   1   .   1   8    8    DAL   CA     C   13   45.2    0.3     .   1   .   .   .   .   .   8    ALA   CA    .    27752   1
      113   .   1   .   1   8    8    DAL   CB     C   13   18.2    0.3     .   1   .   .   .   .   .   8    ALA   CB    .    27752   1
      114   .   1   .   1   9    9    MLE   HA     H   1    5.691   0.005   .   1   .   .   .   .   .   9    MLE   HA    .    27752   1
      115   .   1   .   1   9    9    MLE   HB2    H   1    2.115   0.005   .   2   .   .   .   .   .   9    MLE   HB2   .    27752   1
      116   .   1   .   1   9    9    MLE   HB3    H   1    1.243   0.005   .   2   .   .   .   .   .   9    MLE   HB3   .    27752   1
      117   .   1   .   1   9    9    MLE   HG     H   1    1.329   0.005   .   1   .   .   .   .   .   9    MLE   HG    .    27752   1
      118   .   1   .   1   9    9    MLE   C      C   13   170.4   0.3     .   1   .   .   .   .   .   9    MLE   C     .    27752   1
      119   .   1   .   1   9    9    MLE   CA     C   13   48.3    0.3     .   1   .   .   .   .   .   9    MLE   CA    .    27752   1
      120   .   1   .   1   9    9    MLE   CB     C   13   39.0    0.3     .   1   .   .   .   .   .   9    MLE   CB    .    27752   1
      121   .   1   .   1   9    9    MLE   CG     C   13   24.7    0.3     .   1   .   .   .   .   .   9    MLE   CG    .    27752   1
      122   .   1   .   1   9    9    MLE   CD1    C   13   23.7    0.3     .   1   .   .   .   .   .   9    MLE   CD1   .    27752   1
      123   .   1   .   1   9    9    MLE   CD2    C   13   21.8    0.3     .   1   .   .   .   .   .   9    MLE   CD2   .    27752   1
      124   .   1   .   1   9    9    MLE   CN     C   13   29.6    0.3     .   1   .   .   .   .   .   9    MLE   NC    .    27752   1
      125   .   1   .   1   9    9    MLE   HN1    H   1    3.112   0.005   .   1   .   .   .   .   .   9    MLE   NCH   .    27752   1
      126   .   1   .   1   9    9    MLE   HN2    H   1    3.112   0.005   .   1   .   .   .   .   .   9    MLE   NCH   .    27752   1
      127   .   1   .   1   9    9    MLE   HN3    H   1    3.112   0.005   .   1   .   .   .   .   .   9    MLE   NCH   .    27752   1
      128   .   1   .   1   9    9    MLE   HD11   H   1    0.957   0.005   .   1   .   3   .   .   .   9    MLE   MD1   .    27752   1
      129   .   1   .   1   9    9    MLE   HD12   H   1    0.957   0.005   .   1   .   3   .   .   .   9    MLE   MD1   .    27752   1
      130   .   1   .   1   9    9    MLE   HD13   H   1    0.957   0.005   .   1   .   3   .   .   .   9    MLE   MD1   .    27752   1
      131   .   1   .   1   9    9    MLE   HD21   H   1    0.877   0.005   .   1   .   3   .   .   .   9    MLE   MD2   .    27752   1
      132   .   1   .   1   9    9    MLE   HD22   H   1    0.877   0.005   .   1   .   3   .   .   .   9    MLE   MD2   .    27752   1
      133   .   1   .   1   9    9    MLE   HD23   H   1    0.877   0.005   .   1   .   3   .   .   .   9    MLE   MD2   .    27752   1
      134   .   1   .   1   10   10   MLE   HA     H   1    5.079   0.005   .   1   .   .   .   .   .   10   MLE   HA    .    27752   1
      135   .   1   .   1   10   10   MLE   HB2    H   1    2.102   0.005   .   2   .   .   .   .   .   10   MLE   HB2   .    27752   1
      136   .   1   .   1   10   10   MLE   HB3    H   1    1.234   0.005   .   2   .   .   .   .   .   10   MLE   HB3   .    27752   1
      137   .   1   .   1   10   10   MLE   HG     H   1    1.484   0.005   .   1   .   .   .   .   .   10   MLE   HG    .    27752   1
      138   .   1   .   1   10   10   MLE   C      C   13   170.1   0.3     .   1   .   .   .   .   .   10   MLE   C     .    27752   1
      139   .   1   .   1   10   10   MLE   CA     C   13   57.6    0.3     .   1   .   .   .   .   .   10   MLE   CA    .    27752   1
      140   .   1   .   1   10   10   MLE   CB     C   13   40.7    0.3     .   1   .   .   .   .   .   10   MLE   CB    .    27752   1
      141   .   1   .   1   10   10   MLE   CG     C   13   24.6    0.3     .   1   .   .   .   .   .   10   MLE   CG    .    27752   1
      142   .   1   .   1   10   10   MLE   CD1    C   13   23.8    0.3     .   1   .   .   .   .   .   10   MLE   CD1   .    27752   1
      143   .   1   .   1   10   10   MLE   CD2    C   13   23.3    0.3     .   1   .   .   .   .   .   10   MLE   CD2   .    27752   1
      144   .   1   .   1   10   10   MLE   CN     C   13   29.8    0.3     .   1   .   .   .   .   .   10   MLE   NC    .    27752   1
      145   .   1   .   1   10   10   MLE   HN1    H   1    2.695   0.005   .   1   .   .   .   .   .   10   MLE   NCH   .    27752   1
      146   .   1   .   1   10   10   MLE   HN2    H   1    2.695   0.005   .   1   .   .   .   .   .   10   MLE   NCH   .    27752   1
      147   .   1   .   1   10   10   MLE   HN3    H   1    2.695   0.005   .   1   .   .   .   .   .   10   MLE   NCH   .    27752   1
      148   .   1   .   1   10   10   MLE   HD11   H   1    1.02    0.01    .   1   .   3   .   .   .   10   MLE   MD1   .    27752   1
      149   .   1   .   1   10   10   MLE   HD12   H   1    1.02    0.01    .   1   .   3   .   .   .   10   MLE   MD1   .    27752   1
      150   .   1   .   1   10   10   MLE   HD13   H   1    1.02    0.01    .   1   .   3   .   .   .   10   MLE   MD1   .    27752   1
      151   .   1   .   1   10   10   MLE   HD21   H   1    1.008   0.005   .   1   .   3   .   .   .   10   MLE   MD2   .    27752   1
      152   .   1   .   1   10   10   MLE   HD22   H   1    1.008   0.005   .   1   .   3   .   .   .   10   MLE   MD2   .    27752   1
      153   .   1   .   1   10   10   MLE   HD23   H   1    1.008   0.005   .   1   .   3   .   .   .   10   MLE   MD2   .    27752   1
      154   .   1   .   1   11   11   MVA   HA     H   1    5.135   0.005   .   1   .   .   .   .   .   11   MVA   HA    .    27752   1
      155   .   1   .   1   11   11   MVA   HB     H   1    2.150   0.005   .   1   .   .   .   .   .   11   MVA   HB    .    27752   1
      156   .   1   .   1   11   11   MVA   C      C   13   173.4   0.3     .   1   .   .   .   .   .   11   MVA   C     .    27752   1
      157   .   1   .   1   11   11   MVA   CA     C   13   57.8    0.3     .   1   .   .   .   .   .   11   MVA   CA    .    27752   1
      158   .   1   .   1   11   11   MVA   CB     C   13   28.9    0.3     .   1   .   .   .   .   .   11   MVA   CB    .    27752   1
      159   .   1   .   1   11   11   MVA   CG1    C   13   18.8    0.3     .   1   .   .   .   .   .   11   MVA   CG1   .    27752   1
      160   .   1   .   1   11   11   MVA   CG2    C   13   20.2    0.3     .   1   .   .   .   .   .   11   MVA   CG2   .    27752   1
      161   .   1   .   1   11   11   MVA   CN     C   13   29.8    0.3     .   1   .   .   .   .   .   11   MVA   NC    .    27752   1
      162   .   1   .   1   11   11   MVA   HN1    H   1    2.701   0.005   .   1   .   .   .   .   .   11   MVA   NCH   .    27752   1
      163   .   1   .   1   11   11   MVA   HN2    H   1    2.701   0.005   .   1   .   .   .   .   .   11   MVA   NCH   .    27752   1
      164   .   1   .   1   11   11   MVA   HN3    H   1    2.701   0.005   .   1   .   .   .   .   .   11   MVA   NCH   .    27752   1
      165   .   1   .   1   11   11   MVA   HG11   H   1    1.02    0.01    .   1   .   3   .   .   .   11   MVA   MG1   .    27752   1
      166   .   1   .   1   11   11   MVA   HG12   H   1    1.02    0.01    .   1   .   3   .   .   .   11   MVA   MG1   .    27752   1
      167   .   1   .   1   11   11   MVA   HG13   H   1    1.02    0.01    .   1   .   3   .   .   .   11   MVA   MG1   .    27752   1
      168   .   1   .   1   11   11   MVA   HG21   H   1    0.854   0.005   .   1   .   3   .   .   .   11   MVA   MG2   .    27752   1
      169   .   1   .   1   11   11   MVA   HG22   H   1    0.854   0.005   .   1   .   3   .   .   .   11   MVA   MG2   .    27752   1
      170   .   1   .   1   11   11   MVA   HG23   H   1    0.854   0.005   .   1   .   3   .   .   .   11   MVA   MG2   .    27752   1
   stop_
save_