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                      27468
   _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_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 HccanH'   .   .   .   27468   1
      2   '3D HNhH'     .   .   .   27468   1
      3   '2D hCH'      .   .   .   27468   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   $TOPSPIN   .   .   27468   1
      2   $CcpNMR    .   .   27468   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.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   8     8     ILE   H      H   1    8.408     0.016   .   1   .   .   .   .   .   6     ILE   H      .   27468   1
      2    .   1   1   8     8     ILE   HD11   H   1    0.906     0.006   .   1   .   .   .   .   .   6     ILE   HD11   .   27468   1
      3    .   1   1   8     8     ILE   HD12   H   1    0.906     0.006   .   1   .   .   .   .   .   6     ILE   HD12   .   27468   1
      4    .   1   1   8     8     ILE   HD13   H   1    0.906     0.006   .   1   .   .   .   .   .   6     ILE   HD13   .   27468   1
      5    .   1   1   8     8     ILE   CA     C   13   62.433    0.102   .   1   .   .   .   .   .   6     ILE   CA     .   27468   1
      6    .   1   1   8     8     ILE   CG1    C   13   27.738    0.000   .   1   .   .   .   .   .   6     ILE   CG1    .   27468   1
      7    .   1   1   8     8     ILE   CD1    C   13   14.180    0.020   .   1   .   .   .   .   .   6     ILE   CD1    .   27468   1
      8    .   1   1   8     8     ILE   N      N   15   122.308   0.125   .   1   .   .   .   .   .   6     ILE   N      .   27468   1
      9    .   1   1   20    20    ILE   H      H   1    9.490     0.031   .   1   .   .   .   .   .   18    ILE   H      .   27468   1
      10   .   1   1   20    20    ILE   HD11   H   1    1.008     0.006   .   1   .   .   .   .   .   18    ILE   HD11   .   27468   1
      11   .   1   1   20    20    ILE   HD12   H   1    1.008     0.006   .   1   .   .   .   .   .   18    ILE   HD12   .   27468   1
      12   .   1   1   20    20    ILE   HD13   H   1    1.008     0.006   .   1   .   .   .   .   .   18    ILE   HD13   .   27468   1
      13   .   1   1   20    20    ILE   CA     C   13   64.203    0.121   .   1   .   .   .   .   .   18    ILE   CA     .   27468   1
      14   .   1   1   20    20    ILE   CG1    C   13   23.855    0.000   .   1   .   .   .   .   .   18    ILE   CG1    .   27468   1
      15   .   1   1   20    20    ILE   CD1    C   13   15.846    0.005   .   1   .   .   .   .   .   18    ILE   CD1    .   27468   1
      16   .   1   1   20    20    ILE   N      N   15   122.072   0.206   .   1   .   .   .   .   .   18    ILE   N      .   27468   1
      17   .   1   1   55    55    ILE   H      H   1    9.506     0.013   .   1   .   .   .   .   .   53    ILE   H      .   27468   1
      18   .   1   1   55    55    ILE   HD11   H   1    0.521     0.016   .   1   .   .   .   .   .   53    ILE   HD11   .   27468   1
      19   .   1   1   55    55    ILE   HD12   H   1    0.521     0.016   .   1   .   .   .   .   .   53    ILE   HD12   .   27468   1
      20   .   1   1   55    55    ILE   HD13   H   1    0.521     0.016   .   1   .   .   .   .   .   53    ILE   HD13   .   27468   1
      21   .   1   1   55    55    ILE   CA     C   13   59.785    0.137   .   1   .   .   .   .   .   53    ILE   CA     .   27468   1
      22   .   1   1   55    55    ILE   CG1    C   13   25.937    0.000   .   1   .   .   .   .   .   53    ILE   CG1    .   27468   1
      23   .   1   1   55    55    ILE   CD1    C   13   12.809    0.007   .   1   .   .   .   .   .   53    ILE   CD1    .   27468   1
      24   .   1   1   55    55    ILE   N      N   15   130.115   0.121   .   1   .   .   .   .   .   53    ILE   N      .   27468   1
      25   .   1   1   81    81    ILE   H      H   1    7.363     0.022   .   1   .   .   .   .   .   79    ILE   H      .   27468   1
      26   .   1   1   81    81    ILE   HD11   H   1    -0.085    0.008   .   1   .   .   .   .   .   79    ILE   HD11   .   27468   1
      27   .   1   1   81    81    ILE   HD12   H   1    -0.085    0.008   .   1   .   .   .   .   .   79    ILE   HD12   .   27468   1
      28   .   1   1   81    81    ILE   HD13   H   1    -0.085    0.008   .   1   .   .   .   .   .   79    ILE   HD13   .   27468   1
      29   .   1   1   81    81    ILE   CA     C   13   65.210    0.095   .   1   .   .   .   .   .   79    ILE   CA     .   27468   1
      30   .   1   1   81    81    ILE   CG1    C   13   29.693    0.066   .   1   .   .   .   .   .   79    ILE   CG1    .   27468   1
      31   .   1   1   81    81    ILE   CD1    C   13   12.956    0.015   .   1   .   .   .   .   .   79    ILE   CD1    .   27468   1
      32   .   1   1   81    81    ILE   N      N   15   120.200   0.114   .   1   .   .   .   .   .   79    ILE   N      .   27468   1
      33   .   1   1   91    91    ILE   H      H   1    9.223     0.014   .   1   .   .   .   .   .   89    ILE   H      .   27468   1
      34   .   1   1   91    91    ILE   HD11   H   1    0.967     0.012   .   1   .   .   .   .   .   89    ILE   HD11   .   27468   1
      35   .   1   1   91    91    ILE   HD12   H   1    0.967     0.012   .   1   .   .   .   .   .   89    ILE   HD12   .   27468   1
      36   .   1   1   91    91    ILE   HD13   H   1    0.967     0.012   .   1   .   .   .   .   .   89    ILE   HD13   .   27468   1
      37   .   1   1   91    91    ILE   CA     C   13   60.366    0.138   .   1   .   .   .   .   .   89    ILE   CA     .   27468   1
      38   .   1   1   91    91    ILE   CG1    C   13   28.849    0.000   .   1   .   .   .   .   .   89    ILE   CG1    .   27468   1
      39   .   1   1   91    91    ILE   CD1    C   13   15.162    0.009   .   1   .   .   .   .   .   89    ILE   CD1    .   27468   1
      40   .   1   1   91    91    ILE   N      N   15   117.805   0.220   .   1   .   .   .   .   .   89    ILE   N      .   27468   1
      41   .   1   1   130   130   ILE   H      H   1    9.683     0.013   .   1   .   .   .   .   .   128   ILE   H      .   27468   1
      42   .   1   1   130   130   ILE   HD11   H   1    1.129     0.008   .   1   .   .   .   .   .   128   ILE   HD11   .   27468   1
      43   .   1   1   130   130   ILE   HD12   H   1    1.129     0.008   .   1   .   .   .   .   .   128   ILE   HD12   .   27468   1
      44   .   1   1   130   130   ILE   HD13   H   1    1.129     0.008   .   1   .   .   .   .   .   128   ILE   HD13   .   27468   1
      45   .   1   1   130   130   ILE   CA     C   13   59.889    0.102   .   1   .   .   .   .   .   128   ILE   CA     .   27468   1
      46   .   1   1   130   130   ILE   CG1    C   13   27.635    0.038   .   1   .   .   .   .   .   128   ILE   CG1    .   27468   1
      47   .   1   1   130   130   ILE   CD1    C   13   14.591    0.000   .   1   .   .   .   .   .   128   ILE   CD1    .   27468   1
      48   .   1   1   130   130   ILE   N      N   15   129.164   0.111   .   1   .   .   .   .   .   128   ILE   N      .   27468   1
      49   .   1   1   132   132   ILE   H      H   1    8.948     0.013   .   1   .   .   .   .   .   130   ILE   H      .   27468   1
      50   .   1   1   132   132   ILE   HD11   H   1    0.801     0.009   .   1   .   .   .   .   .   130   ILE   HD11   .   27468   1
      51   .   1   1   132   132   ILE   HD12   H   1    0.801     0.009   .   1   .   .   .   .   .   130   ILE   HD12   .   27468   1
      52   .   1   1   132   132   ILE   HD13   H   1    0.801     0.009   .   1   .   .   .   .   .   130   ILE   HD13   .   27468   1
      53   .   1   1   132   132   ILE   CA     C   13   57.880    0.096   .   1   .   .   .   .   .   130   ILE   CA     .   27468   1
      54   .   1   1   132   132   ILE   CG1    C   13   24.846    0.000   .   1   .   .   .   .   .   130   ILE   CG1    .   27468   1
      55   .   1   1   132   132   ILE   CD1    C   13   14.042    0.000   .   1   .   .   .   .   .   130   ILE   CD1    .   27468   1
      56   .   1   1   132   132   ILE   N      N   15   121.177   0.173   .   1   .   .   .   .   .   130   ILE   N      .   27468   1
      57   .   1   1   137   137   ILE   H      H   1    9.008     0.021   .   1   .   .   .   .   .   135   ILE   H      .   27468   1
      58   .   1   1   137   137   ILE   HD11   H   1    0.581     0.014   .   1   .   .   .   .   .   135   ILE   HD11   .   27468   1
      59   .   1   1   137   137   ILE   HD12   H   1    0.581     0.014   .   1   .   .   .   .   .   135   ILE   HD12   .   27468   1
      60   .   1   1   137   137   ILE   HD13   H   1    0.581     0.014   .   1   .   .   .   .   .   135   ILE   HD13   .   27468   1
      61   .   1   1   137   137   ILE   CA     C   13   61.462    0.142   .   1   .   .   .   .   .   135   ILE   CA     .   27468   1
      62   .   1   1   137   137   ILE   CG1    C   13   27.993    0.000   .   1   .   .   .   .   .   135   ILE   CG1    .   27468   1
      63   .   1   1   137   137   ILE   CD1    C   13   14.151    0.001   .   1   .   .   .   .   .   135   ILE   CD1    .   27468   1
      64   .   1   1   137   137   ILE   N      N   15   129.060   0.166   .   1   .   .   .   .   .   135   ILE   N      .   27468   1
      65   .   1   1   145   145   ILE   H      H   1    9.809     0.012   .   1   .   .   .   .   .   143   ILE   H      .   27468   1
      66   .   1   1   145   145   ILE   HD11   H   1    0.357     0.008   .   1   .   .   .   .   .   143   ILE   HD11   .   27468   1
      67   .   1   1   145   145   ILE   HD12   H   1    0.357     0.008   .   1   .   .   .   .   .   143   ILE   HD12   .   27468   1
      68   .   1   1   145   145   ILE   HD13   H   1    0.357     0.008   .   1   .   .   .   .   .   143   ILE   HD13   .   27468   1
      69   .   1   1   145   145   ILE   CA     C   13   60.179    0.125   .   1   .   .   .   .   .   143   ILE   CA     .   27468   1
      70   .   1   1   145   145   ILE   CG1    C   13   28.279    0.000   .   1   .   .   .   .   .   143   ILE   CG1    .   27468   1
      71   .   1   1   145   145   ILE   CD1    C   13   13.393    0.054   .   1   .   .   .   .   .   143   ILE   CD1    .   27468   1
      72   .   1   1   145   145   ILE   N      N   15   124.777   0.167   .   1   .   .   .   .   .   143   ILE   N      .   27468   1
      73   .   1   1   152   152   ILE   H      H   1    7.540     0.011   .   1   .   .   .   .   .   150   ILE   H      .   27468   1
      74   .   1   1   152   152   ILE   HD11   H   1    0.778     0.014   .   1   .   .   .   .   .   150   ILE   HD11   .   27468   1
      75   .   1   1   152   152   ILE   HD12   H   1    0.778     0.014   .   1   .   .   .   .   .   150   ILE   HD12   .   27468   1
      76   .   1   1   152   152   ILE   HD13   H   1    0.778     0.014   .   1   .   .   .   .   .   150   ILE   HD13   .   27468   1
      77   .   1   1   152   152   ILE   CA     C   13   62.791    0.099   .   1   .   .   .   .   .   150   ILE   CA     .   27468   1
      78   .   1   1   152   152   ILE   CG1    C   13   28.185    0.000   .   1   .   .   .   .   .   150   ILE   CG1    .   27468   1
      79   .   1   1   152   152   ILE   CD1    C   13   14.042    0.000   .   1   .   .   .   .   .   150   ILE   CD1    .   27468   1
      80   .   1   1   152   152   ILE   N      N   15   116.751   0.124   .   1   .   .   .   .   .   150   ILE   N      .   27468   1
   stop_
save_