Content for NMR-STAR saveframe, assigned_chemical_shifts_1

    save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      52460
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          'NAc-orf6-ctr chemical shift assignment'
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chem_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1   '2D 1H-13C HSQC'   .   .   .   52460   1
      2   '2D 1H-1H TOCSY'   .   .   .   52460   1
   stop_

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

      1   $software_1   .   .   52460   1
      2   $software_2   .   .   52460   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   3    3    LYS   HB2    H   1    1.869   .   .   .   .   .   .   .   .   42   K   HB2    .   52460   1
      2     .   1   .   1   3    3    LYS   HG2    H   1    1.447   .   .   .   .   .   .   .   .   42   K   HG2    .   52460   1
      3     .   1   .   1   3    3    LYS   HG3    H   1    1.447   .   .   .   .   .   .   .   .   42   K   HG3    .   52460   1
      4     .   1   .   1   3    3    LYS   HD2    H   1    1.681   .   .   .   .   .   .   .   .   42   K   HD2    .   52460   1
      5     .   1   .   1   3    3    LYS   HD3    H   1    1.681   .   .   .   .   .   .   .   .   42   K   HD3    .   52460   1
      6     .   1   .   1   3    3    LYS   CB     C   13   32.93   .   .   .   .   .   .   .   .   42   K   CB     .   52460   1
      7     .   1   .   1   3    3    LYS   CG     C   13   24.74   .   .   .   .   .   .   .   .   42   K   CG     .   52460   1
      8     .   1   .   1   3    3    LYS   CD     C   13   28.91   .   .   .   .   .   .   .   .   42   K   CD     .   52460   1
      9     .   1   .   1   4    4    SER   H      H   1    8.38    .   .   .   .   .   .   .   .   43   S   HN     .   52460   1
      10    .   1   .   1   4    4    SER   HA     H   1    4.408   .   .   .   .   .   .   .   .   43   S   HA     .   52460   1
      11    .   1   .   1   4    4    SER   HB2    H   1    3.853   .   .   .   .   .   .   .   .   43   S   HB2    .   52460   1
      12    .   1   .   1   4    4    SER   HB3    H   1    3.853   .   .   .   .   .   .   .   .   43   S   HB3    .   52460   1
      13    .   1   .   1   4    4    SER   CA     C   13   58.29   .   .   .   .   .   .   .   .   43   S   CA     .   52460   1
      14    .   1   .   1   4    4    SER   CB     C   13   63.64   .   .   .   .   .   .   .   .   43   S   CB     .   52460   1
      15    .   1   .   1   5    5    LEU   H      H   1    8.441   .   .   .   .   .   .   .   .   44   L   HN     .   52460   1
      16    .   1   .   1   5    5    LEU   HA     H   1    4.402   .   .   .   .   .   .   .   .   44   L   HA     .   52460   1
      17    .   1   .   1   5    5    LEU   HB2    H   1    1.691   .   .   .   .   .   .   .   .   44   L   HB2    .   52460   1
      18    .   1   .   1   5    5    LEU   HB3    H   1    1.72    .   .   .   .   .   .   .   .   44   L   HB3    .   52460   1
      19    .   1   .   1   5    5    LEU   HG     H   1    1.663   .   .   .   .   .   .   .   .   44   L   HG     .   52460   1
      20    .   1   .   1   5    5    LEU   HD11   H   1    0.877   .   .   .   .   .   .   .   .   44   L   HD1    .   52460   1
      21    .   1   .   1   5    5    LEU   HD12   H   1    0.877   .   .   .   .   .   .   .   .   44   L   HD1    .   52460   1
      22    .   1   .   1   5    5    LEU   HD13   H   1    0.877   .   .   .   .   .   .   .   .   44   L   HD1    .   52460   1
      23    .   1   .   1   5    5    LEU   HD21   H   1    0.935   .   .   .   .   .   .   .   .   44   L   HD2    .   52460   1
      24    .   1   .   1   5    5    LEU   HD22   H   1    0.935   .   .   .   .   .   .   .   .   44   L   HD2    .   52460   1
      25    .   1   .   1   5    5    LEU   HD23   H   1    0.935   .   .   .   .   .   .   .   .   44   L   HD2    .   52460   1
      26    .   1   .   1   5    5    LEU   CA     C   13   55.7    .   .   .   .   .   .   .   .   44   L   CA     .   52460   1
      27    .   1   .   1   5    5    LEU   CB     C   13   42.19   .   .   .   .   .   .   .   .   44   L   CB     .   52460   1
      28    .   1   .   1   5    5    LEU   CG     C   13   27.04   .   .   .   .   .   .   .   .   44   L   CG     .   52460   1
      29    .   1   .   1   6    6    THR   H      H   1    8.115   .   .   .   .   .   .   .   .   45   T   HN     .   52460   1
      30    .   1   .   1   6    6    THR   HA     H   1    4.313   .   .   .   .   .   .   .   .   45   T   HA     .   52460   1
      31    .   1   .   1   6    6    THR   HB     H   1    4.226   .   .   .   .   .   .   .   .   45   T   HB     .   52460   1
      32    .   1   .   1   6    6    THR   HG21   H   1    1.188   .   .   .   .   .   .   .   .   45   T   HG2    .   52460   1
      33    .   1   .   1   6    6    THR   HG22   H   1    1.188   .   .   .   .   .   .   .   .   45   T   HG2    .   52460   1
      34    .   1   .   1   6    6    THR   HG23   H   1    1.188   .   .   .   .   .   .   .   .   45   T   HG2    .   52460   1
      35    .   1   .   1   6    6    THR   CA     C   13   61.9    .   .   .   .   .   .   .   .   45   T   CA     .   52460   1
      36    .   1   .   1   6    6    THR   CB     C   13   69.56   .   .   .   .   .   .   .   .   45   T   CB     .   52460   1
      37    .   1   .   1   6    6    THR   CG2    C   13   21.57   .   .   .   .   .   .   .   .   45   T   CG2    .   52460   1
      38    .   1   .   1   7    7    GLU   H      H   1    8.337   .   .   .   .   .   .   .   .   46   E   HN     .   52460   1
      39    .   1   .   1   7    7    GLU   HA     H   1    4.265   .   .   .   .   .   .   .   .   46   E   HA     .   52460   1
      40    .   1   .   1   7    7    GLU   HB2    H   1    1.937   .   .   .   .   .   .   .   .   46   E   HB2    .   52460   1
      41    .   1   .   1   7    7    GLU   HB3    H   1    1.937   .   .   .   .   .   .   .   .   46   E   HB3    .   52460   1
      42    .   1   .   1   7    7    GLU   HG2    H   1    2.256   .   .   .   .   .   .   .   .   46   E   HG2    .   52460   1
      43    .   1   .   1   7    7    GLU   HG3    H   1    2.256   .   .   .   .   .   .   .   .   46   E   HG3    .   52460   1
      44    .   1   .   1   7    7    GLU   CA     C   13   56.43   .   .   .   .   .   .   .   .   46   E   CA     .   52460   1
      45    .   1   .   1   7    7    GLU   CB     C   13   30.29   .   .   .   .   .   .   .   .   46   E   CB     .   52460   1
      46    .   1   .   1   8    8    ASN   H      H   1    8.497   .   .   .   .   .   .   .   .   47   N   HN     .   52460   1
      47    .   1   .   1   8    8    ASN   HA     H   1    4.655   .   .   .   .   .   .   .   .   47   N   HA     .   52460   1
      48    .   1   .   1   8    8    ASN   HB2    H   1    2.764   .   .   .   .   .   .   .   .   47   N   HB2    .   52460   1
      49    .   1   .   1   8    8    ASN   HB3    H   1    2.764   .   .   .   .   .   .   .   .   47   N   HB3    .   52460   1
      50    .   1   .   1   8    8    ASN   CA     C   13   53.16   .   .   .   .   .   .   .   .   47   N   CA     .   52460   1
      51    .   1   .   1   8    8    ASN   CB     C   13   38.73   .   .   .   .   .   .   .   .   47   N   CB     .   52460   1
      52    .   1   .   1   9    9    LYS   H      H   1    8.307   .   .   .   .   .   .   .   .   48   K   HN     .   52460   1
      53    .   1   .   1   9    9    LYS   HA     H   1    4.244   .   .   .   .   .   .   .   .   48   K   HA     .   52460   1
      54    .   1   .   1   9    9    LYS   HB2    H   1    1.638   .   .   .   .   .   .   .   .   48   K   HB2    .   52460   1
      55    .   1   .   1   9    9    LYS   HB3    H   1    1.638   .   .   .   .   .   .   .   .   48   K   HB3    .   52460   1
      56    .   1   .   1   9    9    LYS   HG2    H   1    1.225   .   .   .   .   .   .   .   .   48   K   HG2    .   52460   1
      57    .   1   .   1   9    9    LYS   HG3    H   1    1.225   .   .   .   .   .   .   .   .   48   K   HG3    .   52460   1
      58    .   1   .   1   9    9    LYS   HD2    H   1    1.611   .   .   .   .   .   .   .   .   48   K   HD2    .   52460   1
      59    .   1   .   1   9    9    LYS   HD3    H   1    1.611   .   .   .   .   .   .   .   .   48   K   HD3    .   52460   1
      60    .   1   .   1   9    9    LYS   HE2    H   1    2.96    .   .   .   .   .   .   .   .   48   K   HE2    .   52460   1
      61    .   1   .   1   9    9    LYS   HE3    H   1    2.929   .   .   .   .   .   .   .   .   48   K   HE3    .   52460   1
      62    .   1   .   1   9    9    LYS   CA     C   13   56.43   .   .   .   .   .   .   .   .   48   K   CA     .   52460   1
      63    .   1   .   1   9    9    LYS   CB     C   13   32.8    .   .   .   .   .   .   .   .   48   K   CB     .   52460   1
      64    .   1   .   1   9    9    LYS   CG     C   13   24.52   .   .   .   .   .   .   .   .   48   K   CG     .   52460   1
      65    .   1   .   1   9    9    LYS   CD     C   13   28.92   .   .   .   .   .   .   .   .   48   K   CD     .   52460   1
      66    .   1   .   1   9    9    LYS   CE     C   13   41.85   .   .   .   .   .   .   .   .   48   K   CE     .   52460   1
      67    .   1   .   1   10   10   TYR   H      H   1    8.239   .   .   .   .   .   .   .   .   49   Y   HN     .   52460   1
      68    .   1   .   1   10   10   TYR   HA     H   1    4.616   .   .   .   .   .   .   .   .   49   Y   HA     .   52460   1
      69    .   1   .   1   10   10   TYR   HB2    H   1    3.122   .   .   .   .   .   .   .   .   49   Y   HB2    .   52460   1
      70    .   1   .   1   10   10   TYR   HB3    H   1    2.942   .   .   .   .   .   .   .   .   49   Y   HB3    .   52460   1
      71    .   1   .   1   10   10   TYR   CA     C   13   57.77   .   .   .   .   .   .   .   .   49   Y   CA     .   52460   1
      72    .   1   .   1   10   10   TYR   CB     C   13   38.54   .   .   .   .   .   .   .   .   49   Y   CB     .   52460   1
      73    .   1   .   1   11   11   SER   H      H   1    8.183   .   .   .   .   .   .   .   .   50   S   HN     .   52460   1
      74    .   1   .   1   11   11   SER   HA     H   1    4.41    .   .   .   .   .   .   .   .   50   S   HA     .   52460   1
      75    .   1   .   1   11   11   SER   HB2    H   1    3.838   .   .   .   .   .   .   .   .   50   S   HB2    .   52460   1
      76    .   1   .   1   11   11   SER   HB3    H   1    3.838   .   .   .   .   .   .   .   .   50   S   HB3    .   52460   1
      77    .   1   .   1   11   11   SER   CA     C   13   58.29   .   .   .   .   .   .   .   .   50   S   CA     .   52460   1
      78    .   1   .   1   11   11   SER   CB     C   13   63.64   .   .   .   .   .   .   .   .   50   S   CB     .   52460   1
      79    .   1   .   1   12   12   GLN   H      H   1    8.438   .   .   .   .   .   .   .   .   51   Q   HN     .   52460   1
      80    .   1   .   1   12   12   GLN   HA     H   1    4.328   .   .   .   .   .   .   .   .   51   Q   HA     .   52460   1
      81    .   1   .   1   12   12   GLN   HB2    H   1    2.112   .   .   .   .   .   .   .   .   51   Q   HB2    .   52460   1
      82    .   1   .   1   12   12   GLN   HB3    H   1    1.961   .   .   .   .   .   .   .   .   51   Q   HB3    .   52460   1
      83    .   1   .   1   12   12   GLN   HG2    H   1    2.363   .   .   .   .   .   .   .   .   51   Q   HG2    .   52460   1
      84    .   1   .   1   12   12   GLN   HG3    H   1    2.363   .   .   .   .   .   .   .   .   51   Q   HG3    .   52460   1
      85    .   1   .   1   12   12   GLN   CA     C   13   56.03   .   .   .   .   .   .   .   .   51   Q   CA     .   52460   1
      86    .   1   .   1   12   12   GLN   CB     C   13   29.24   .   .   .   .   .   .   .   .   51   Q   CB     .   52460   1
      87    .   1   .   1   12   12   GLN   CG     C   13   33.76   .   .   .   .   .   .   .   .   51   Q   CG     .   52460   1
      88    .   1   .   1   13   13   LEU   H      H   1    8.274   .   .   .   .   .   .   .   .   52   L   HN     .   52460   1
      89    .   1   .   1   13   13   LEU   HA     H   1    4.322   .   .   .   .   .   .   .   .   52   L   HA     .   52460   1
      90    .   1   .   1   13   13   LEU   HB2    H   1    1.622   .   .   .   .   .   .   .   .   52   L   HB2    .   52460   1
      91    .   1   .   1   13   13   LEU   HB3    H   1    1.622   .   .   .   .   .   .   .   .   52   L   HB3    .   52460   1
      92    .   1   .   1   13   13   LEU   HG     H   1    1.631   .   .   .   .   .   .   .   .   52   L   HG     .   52460   1
      93    .   1   .   1   13   13   LEU   HD11   H   1    0.916   .   .   .   .   .   .   .   .   52   L   HD1    .   52460   1
      94    .   1   .   1   13   13   LEU   HD12   H   1    0.916   .   .   .   .   .   .   .   .   52   L   HD1    .   52460   1
      95    .   1   .   1   13   13   LEU   HD13   H   1    0.916   .   .   .   .   .   .   .   .   52   L   HD1    .   52460   1
      96    .   1   .   1   13   13   LEU   HD21   H   1    0.916   .   .   .   .   .   .   .   .   52   L   HD2    .   52460   1
      97    .   1   .   1   13   13   LEU   HD22   H   1    0.916   .   .   .   .   .   .   .   .   52   L   HD2    .   52460   1
      98    .   1   .   1   13   13   LEU   HD23   H   1    0.916   .   .   .   .   .   .   .   .   52   L   HD2    .   52460   1
      99    .   1   .   1   13   13   LEU   CA     C   13   55.27   .   .   .   .   .   .   .   .   52   L   CA     .   52460   1
      100   .   1   .   1   13   13   LEU   CB     C   13   42.23   .   .   .   .   .   .   .   .   52   L   CB     .   52460   1
      101   .   1   .   1   13   13   LEU   CG     C   13   27.04   .   .   .   .   .   .   .   .   52   L   CG     .   52460   1
      102   .   1   .   1   14   14   ASP   H      H   1    8.332   .   .   .   .   .   .   .   .   53   D   HN     .   52460   1
      103   .   1   .   1   14   14   ASP   HA     H   1    4.578   .   .   .   .   .   .   .   .   53   D   HA     .   52460   1
      104   .   1   .   1   14   14   ASP   HB2    H   1    2.717   .   .   .   .   .   .   .   .   53   D   HB2    .   52460   1
      105   .   1   .   1   14   14   ASP   HB3    H   1    2.659   .   .   .   .   .   .   .   .   53   D   HB3    .   52460   1
      106   .   1   .   1   14   14   ASP   CA     C   13   54.41   .   .   .   .   .   .   .   .   53   D   CA     .   52460   1
      107   .   1   .   1   14   14   ASP   CB     C   13   40.99   .   .   .   .   .   .   .   .   53   D   CB     .   52460   1
      108   .   1   .   1   15   15   GLU   H      H   1    8.293   .   .   .   .   .   .   .   .   54   E   HN     .   52460   1
      109   .   1   .   1   15   15   GLU   HA     H   1    4.265   .   .   .   .   .   .   .   .   54   E   HA     .   52460   1
      110   .   1   .   1   15   15   GLU   HB2    H   1    1.978   .   .   .   .   .   .   .   .   54   E   HB2    .   52460   1
      111   .   1   .   1   15   15   GLU   HB3    H   1    1.978   .   .   .   .   .   .   .   .   54   E   HB3    .   52460   1
      112   .   1   .   1   15   15   GLU   HG2    H   1    2.25    .   .   .   .   .   .   .   .   54   E   HG2    .   52460   1
      113   .   1   .   1   15   15   GLU   HG3    H   1    2.25    .   .   .   .   .   .   .   .   54   E   HG3    .   52460   1
      114   .   1   .   1   15   15   GLU   CA     C   13   56.43   .   .   .   .   .   .   .   .   54   E   CA     .   52460   1
      115   .   1   .   1   15   15   GLU   CB     C   13   30.27   .   .   .   .   .   .   .   .   54   E   CB     .   52460   1
      116   .   1   .   1   15   15   GLU   CG     C   13   36.14   .   .   .   .   .   .   .   .   54   E   CG     .   52460   1
      117   .   1   .   1   16   16   GLU   H      H   1    8.438   .   .   .   .   .   .   .   .   55   E   HN     .   52460   1
      118   .   1   .   1   16   16   GLU   HA     H   1    4.255   .   .   .   .   .   .   .   .   55   E   HA     .   52460   1
      119   .   1   .   1   16   16   GLU   HB2    H   1    2.017   .   .   .   .   .   .   .   .   55   E   HB2    .   52460   1
      120   .   1   .   1   16   16   GLU   HB3    H   1    2.017   .   .   .   .   .   .   .   .   55   E   HB3    .   52460   1
      121   .   1   .   1   16   16   GLU   HG2    H   1    2.263   .   .   .   .   .   .   .   .   55   E   HG2    .   52460   1
      122   .   1   .   1   16   16   GLU   HG3    H   1    2.229   .   .   .   .   .   .   .   .   55   E   HG3    .   52460   1
      123   .   1   .   1   16   16   GLU   CA     C   13   56.43   .   .   .   .   .   .   .   .   55   E   CA     .   52460   1
      124   .   1   .   1   16   16   GLU   CB     C   13   30.27   .   .   .   .   .   .   .   .   55   E   CB     .   52460   1
      125   .   1   .   1   16   16   GLU   CG     C   13   36.14   .   .   .   .   .   .   .   .   55   E   CG     .   52460   1
      126   .   1   .   1   17   17   GLN   H      H   1    8.454   .   .   .   .   .   .   .   .   56   Q   HN     .   52460   1
      127   .   1   .   1   17   17   GLN   HA     H   1    4.596   .   .   .   .   .   .   .   .   56   Q   HA     .   52460   1
      128   .   1   .   1   17   17   GLN   HB2    H   1    2.093   .   .   .   .   .   .   .   .   56   Q   HB2    .   52460   1
      129   .   1   .   1   17   17   GLN   HB3    H   1    1.93    .   .   .   .   .   .   .   .   56   Q   HB3    .   52460   1
      130   .   1   .   1   17   17   GLN   HG2    H   1    2.385   .   .   .   .   .   .   .   .   56   Q   HG2    .   52460   1
      131   .   1   .   1   17   17   GLN   HG3    H   1    2.385   .   .   .   .   .   .   .   .   56   Q   HG3    .   52460   1
      132   .   1   .   1   17   17   GLN   CA     C   13   53.39   .   .   .   .   .   .   .   .   56   Q   CA     .   52460   1
      133   .   1   .   1   17   17   GLN   CB     C   13   28.92   .   .   .   .   .   .   .   .   56   Q   CB     .   52460   1
      134   .   1   .   1   18   18   PRO   HA     H   1    4.427   .   .   .   .   .   .   .   .   57   P   HA     .   52460   1
      135   .   1   .   1   18   18   PRO   HB2    H   1    2.292   .   .   .   .   .   .   .   .   57   P   HB2    .   52460   1
      136   .   1   .   1   18   18   PRO   HD2    H   1    3.777   .   .   .   .   .   .   .   .   57   P   HD2    .   52460   1
      137   .   1   .   1   18   18   PRO   HD3    H   1    3.648   .   .   .   .   .   .   .   .   57   P   HD3    .   52460   1
      138   .   1   .   1   18   18   PRO   CA     C   13   63      .   .   .   .   .   .   .   .   57   P   CA     .   52460   1
      139   .   1   .   1   18   18   PRO   CB     C   13   32.16   .   .   .   .   .   .   .   .   57   P   CB     .   52460   1
      140   .   1   .   1   18   18   PRO   CD     C   13   50.66   .   .   .   .   .   .   .   .   57   P   CD     .   52460   1
      141   .   1   .   1   19   19   MET   H      H   1    8.526   .   .   .   .   .   .   .   .   58   M   HN     .   52460   1
      142   .   1   .   1   19   19   MET   HA     H   1    4.425   .   .   .   .   .   .   .   .   58   M   HA     .   52460   1
      143   .   1   .   1   19   19   MET   HB2    H   1    2.029   .   .   .   .   .   .   .   .   58   M   HB2    .   52460   1
      144   .   1   .   1   19   19   MET   HB3    H   1    2.029   .   .   .   .   .   .   .   .   58   M   HB3    .   52460   1
      145   .   1   .   1   19   19   MET   HG2    H   1    2.611   .   .   .   .   .   .   .   .   58   M   HG2    .   52460   1
      146   .   1   .   1   19   19   MET   HG3    H   1    2.611   .   .   .   .   .   .   .   .   58   M   HG3    .   52460   1
      147   .   1   .   1   19   19   MET   HE1    H   1    2.032   .   .   .   .   .   .   .   .   58   M   HE     .   52460   1
      148   .   1   .   1   19   19   MET   HE2    H   1    2.032   .   .   .   .   .   .   .   .   58   M   HE     .   52460   1
      149   .   1   .   1   19   19   MET   HE3    H   1    2.032   .   .   .   .   .   .   .   .   58   M   HE     .   52460   1
      150   .   1   .   1   19   19   MET   CA     C   13   55.51   .   .   .   .   .   .   .   .   58   M   CA     .   52460   1
      151   .   1   .   1   19   19   MET   CB     C   13   33.29   .   .   .   .   .   .   .   .   58   M   CB     .   52460   1
      152   .   1   .   1   20   20   GLU   H      H   1    8.515   .   .   .   .   .   .   .   .   59   E   HN     .   52460   1
      153   .   1   .   1   20   20   GLU   HA     H   1    4.355   .   .   .   .   .   .   .   .   59   E   HA     .   52460   1
      154   .   1   .   1   20   20   GLU   HB2    H   1    1.924   .   .   .   .   .   .   .   .   59   E   HB2    .   52460   1
      155   .   1   .   1   20   20   GLU   HB3    H   1    1.924   .   .   .   .   .   .   .   .   59   E   HB3    .   52460   1
      156   .   1   .   1   20   20   GLU   HG2    H   1    2.26    .   .   .   .   .   .   .   .   59   E   HG2    .   52460   1
      157   .   1   .   1   20   20   GLU   HG3    H   1    2.26    .   .   .   .   .   .   .   .   59   E   HG3    .   52460   1
      158   .   1   .   1   20   20   GLU   CA     C   13   56.26   .   .   .   .   .   .   .   .   59   E   CA     .   52460   1
      159   .   1   .   1   20   20   GLU   CB     C   13   30.29   .   .   .   .   .   .   .   .   59   E   CB     .   52460   1
      160   .   1   .   1   20   20   GLU   CG     C   13   36.14   .   .   .   .   .   .   .   .   59   E   CG     .   52460   1
      161   .   1   .   1   21   21   ILE   H      H   1    8.292   .   .   .   .   .   .   .   .   60   I   HN     .   52460   1
      162   .   1   .   1   21   21   ILE   HA     H   1    4.224   .   .   .   .   .   .   .   .   60   I   HA     .   52460   1
      163   .   1   .   1   21   21   ILE   HB     H   1    1.892   .   .   .   .   .   .   .   .   60   I   HB     .   52460   1
      164   .   1   .   1   21   21   ILE   HG12   H   1    1.442   .   .   .   .   .   .   .   .   60   I   HG12   .   52460   1
      165   .   1   .   1   21   21   ILE   HG13   H   1    1.187   .   .   .   .   .   .   .   .   60   I   HG13   .   52460   1
      166   .   1   .   1   21   21   ILE   HG21   H   1    0.919   .   .   .   .   .   .   .   .   60   I   HG2    .   52460   1
      167   .   1   .   1   21   21   ILE   HG22   H   1    0.919   .   .   .   .   .   .   .   .   60   I   HG2    .   52460   1
      168   .   1   .   1   21   21   ILE   HG23   H   1    0.919   .   .   .   .   .   .   .   .   60   I   HG2    .   52460   1
      169   .   1   .   1   21   21   ILE   HD11   H   1    0.886   .   .   .   .   .   .   .   .   60   I   HD1    .   52460   1
      170   .   1   .   1   21   21   ILE   HD12   H   1    0.886   .   .   .   .   .   .   .   .   60   I   HD1    .   52460   1
      171   .   1   .   1   21   21   ILE   HD13   H   1    0.886   .   .   .   .   .   .   .   .   60   I   HD1    .   52460   1
      172   .   1   .   1   21   21   ILE   CA     C   13   60.88   .   .   .   .   .   .   .   .   60   I   CA     .   52460   1
      173   .   1   .   1   21   21   ILE   CB     C   13   39.24   .   .   .   .   .   .   .   .   60   I   CB     .   52460   1
      174   .   1   .   1   21   21   ILE   CG1    C   13   26.89   .   .   .   .   .   .   .   .   60   I   CG1    .   52460   1
      175   .   1   .   1   21   21   ILE   CG2    C   13   17.58   .   .   .   .   .   .   .   .   60   I   CG2    .   52460   1
      176   .   1   .   1   21   21   ILE   CD1    C   13   13.02   .   .   .   .   .   .   .   .   60   I   CD1    .   52460   1
      177   .   1   .   1   22   22   ASP   H      H   1    8.041   .   .   .   .   .   .   .   .   61   D   HN     .   52460   1
      178   .   1   .   1   22   22   ASP   HA     H   1    4.354   .   .   .   .   .   .   .   .   61   D   HA     .   52460   1
      179   .   1   .   1   22   22   ASP   HB2    H   1    2.615   .   .   .   .   .   .   .   .   61   D   HB2    .   52460   1
      180   .   1   .   1   22   22   ASP   HB3    H   1    2.569   .   .   .   .   .   .   .   .   61   D   HB3    .   52460   1
      181   .   1   .   1   22   22   ASP   CA     C   13   56.03   .   .   .   .   .   .   .   .   61   D   CA     .   52460   1
      182   .   1   .   1   22   22   ASP   CB     C   13   42.02   .   .   .   .   .   .   .   .   61   D   CB     .   52460   1
   stop_
save_