Content for NMR-STAR saveframe, "mpx_assign"

    save_mpx_assign
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  mpx_assign
   _Assigned_chem_shift_list.Entry_ID                      10001
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $condition_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $ref_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      1   '3D N-CA-CO'             1   $sample_1   isotropic   10001   1
      2   '3D Ni-COi+1-CAi+1'      1   $sample_1   isotropic   10001   1
      3   '2D RFDR'                1   $sample_1   isotropic   10001   1
      4   '2D SPCz5'               1   $sample_1   isotropic   10001   1
      5   '2D (CACB)i+1-(COCA)i'   1   $sample_1   isotropic   10001   1
      6   '2D Ni-(COCA)i+1'        1   $sample_1   isotropic   10001   1
      7   '2D N-CA'                1   $sample_1   isotropic   10001   1
      8   '2D Ni-(COCACB)i+1'      1   $sample_1   isotropic   10001   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

      2   $spinsight   .   .   10001   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    ILE   C     C   13   172.8   0.5   .   1   .   .   .   .   1    ILE   C     .   10001   1
      2    .   1   1   1    1    ILE   CA    C   13   59.2    0.6   .   1   .   .   .   .   1    ILE   CA    .   10001   1
      3    .   1   1   1    1    ILE   CB    C   13   37.5    0.6   .   1   .   .   .   .   1    ILE   CB    .   10001   1
      4    .   1   1   1    1    ILE   CD1   C   13   12.9    0.4   .   5   .   .   .   .   1    ILE   CD1   .   10001   1
      5    .   1   1   1    1    ILE   CG1   C   13   27.5    0.5   .   1   .   .   .   .   1    ILE   CG1   .   10001   1
      6    .   1   1   1    1    ILE   CG2   C   13   15.7    0.4   .   1   .   .   .   .   1    ILE   CG2   .   10001   1
      7    .   1   1   1    1    ILE   N     N   15   36.9    0.5   .   1   .   .   .   .   1    ILE   N     .   10001   1
      8    .   1   1   2    2    ASN   C     C   13   175.1   0.4   .   1   .   .   .   .   2    ASN   C     .   10001   1
      9    .   1   1   2    2    ASN   CA    C   13   50.6    0.4   .   1   .   .   .   .   2    ASN   CA    .   10001   1
      10   .   1   1   2    2    ASN   CB    C   13   37.1    0.5   .   1   .   .   .   .   2    ASN   CB    .   10001   1
      11   .   1   1   2    2    ASN   CG    C   13   178.5   0.5   .   1   .   .   .   .   2    ASN   CG    .   10001   1
      12   .   1   1   2    2    ASN   N     N   15   126.5   0.9   .   1   .   .   .   .   2    ASN   N     .   10001   1
      13   .   1   1   2    2    ASN   ND2   N   15   111.6   2.0   .   1   .   .   .   .   2    ASN   ND2   .   10001   1
      14   .   1   1   3    3    TRP   C     C   13   178.1   0.5   .   1   .   .   .   .   3    TRP   C     .   10001   1
      15   .   1   1   3    3    TRP   CA    C   13   59.5    0.6   .   1   .   .   .   .   3    TRP   CA    .   10001   1
      16   .   1   1   3    3    TRP   CB    C   13   31.9    0.6   .   1   .   .   .   .   3    TRP   CB    .   10001   1
      17   .   1   1   3    3    TRP   CD1   C   13   128.2   0.7   .   1   .   .   .   .   3    TRP   CD1   .   10001   1
      18   .   1   1   3    3    TRP   CD2   C   13   128.8   0.6   .   1   .   .   .   .   3    TRP   CD2   .   10001   1
      19   .   1   1   3    3    TRP   CE2   C   13   140.2   0.4   .   1   .   .   .   .   3    TRP   CE2   .   10001   1
      20   .   1   1   3    3    TRP   CE3   C   13   120.2   0.9   .   1   .   .   .   .   3    TRP   CE3   .   10001   1
      21   .   1   1   3    3    TRP   CG    C   13   109.4   0.6   .   1   .   .   .   .   3    TRP   CG    .   10001   1
      22   .   1   1   3    3    TRP   CH2   C   13   123.4   0.6   .   1   .   .   .   .   3    TRP   CH2   .   10001   1
      23   .   1   1   3    3    TRP   CZ2   C   13   114.1   0.6   .   1   .   .   .   .   3    TRP   CZ2   .   10001   1
      24   .   1   1   3    3    TRP   CZ3   C   13   120.9   0.7   .   1   .   .   .   .   3    TRP   CZ3   .   10001   1
      25   .   1   1   3    3    TRP   N     N   15   125.6   0.7   .   1   .   .   .   .   3    TRP   N     .   10001   1
      26   .   1   1   3    3    TRP   NE1   N   15   131.9   0.8   .   1   .   .   .   .   3    TRP   NE1   .   10001   1
      27   .   1   1   4    4    LYS   C     C   13   178.9   0.5   .   1   .   .   .   .   4    LYS   C     .   10001   1
      28   .   1   1   4    4    LYS   CA    C   13   59.9    0.6   .   1   .   .   .   .   4    LYS   CA    .   10001   1
      29   .   1   1   4    4    LYS   CB    C   13   32.4    0.6   .   1   .   .   .   .   4    LYS   CB    .   10001   1
      30   .   1   1   4    4    LYS   CD    C   13   30.4    1.2   .   1   .   .   .   .   4    LYS   CD    .   10001   1
      31   .   1   1   4    4    LYS   CE    C   13   41.8    0.5   .   5   .   .   .   .   4    LYS   CE    .   10001   1
      32   .   1   1   4    4    LYS   CG    C   13   27.5    0.4   .   1   .   .   .   .   4    LYS   CG    .   10001   1
      33   .   1   1   4    4    LYS   N     N   15   116.7   0.8   .   1   .   .   .   .   4    LYS   N     .   10001   1
      34   .   1   1   4    4    LYS   NZ    N   15   31.7    0.8   .   5   .   .   .   .   4    LYS   NZ    .   10001   1
      35   .   1   1   5    5    GLY   C     C   13   174.9   0.4   .   1   .   .   .   .   5    GLY   C     .   10001   1
      36   .   1   1   5    5    GLY   CA    C   13   47.2    0.4   .   1   .   .   .   .   5    GLY   CA    .   10001   1
      37   .   1   1   5    5    GLY   N     N   15   107.2   0.9   .   1   .   .   .   .   5    GLY   N     .   10001   1
      38   .   1   1   6    6    ILE   C     C   13   178.7   0.3   .   1   .   .   .   .   6    ILE   C     .   10001   1
      39   .   1   1   6    6    ILE   CA    C   13   65.5    0.4   .   1   .   .   .   .   6    ILE   CA    .   10001   1
      40   .   1   1   6    6    ILE   CB    C   13   37.2    0.4   .   1   .   .   .   .   6    ILE   CB    .   10001   1
      41   .   1   1   6    6    ILE   CD1   C   13   12.9    0.4   .   5   .   .   .   .   6    ILE   CD1   .   10001   1
      42   .   1   1   6    6    ILE   CG1   C   13   27.2    0.5   .   1   .   .   .   .   6    ILE   CG1   .   10001   1
      43   .   1   1   6    6    ILE   CG2   C   13   17.9    0.3   .   1   .   .   .   .   6    ILE   CG2   .   10001   1
      44   .   1   1   6    6    ILE   N     N   15   122.1   0.6   .   1   .   .   .   .   6    ILE   N     .   10001   1
      45   .   1   1   7    7    ALA   C     C   13   178.1   0.6   .   1   .   .   .   .   7    ALA   C     .   10001   1
      46   .   1   1   7    7    ALA   CA    C   13   54.9    0.7   .   1   .   .   .   .   7    ALA   CA    .   10001   1
      47   .   1   1   7    7    ALA   CB    C   13   18.1    0.6   .   1   .   .   .   .   7    ALA   CB    .   10001   1
      48   .   1   1   7    7    ALA   N     N   15   122.1   0.8   .   1   .   .   .   .   7    ALA   N     .   10001   1
      49   .   1   1   8    8    ALA   C     C   13   180.2   0.5   .   1   .   .   .   .   8    ALA   C     .   10001   1
      50   .   1   1   8    8    ALA   CA    C   13   54.7    0.6   .   1   .   .   .   .   8    ALA   CA    .   10001   1
      51   .   1   1   8    8    ALA   CB    C   13   17.9    0.7   .   1   .   .   .   .   8    ALA   CB    .   10001   1
      52   .   1   1   8    8    ALA   N     N   15   121.0   0.6   .   1   .   .   .   .   8    ALA   N     .   10001   1
      53   .   1   1   9    9    MET   C     C   13   177.4   0.5   .   1   .   .   .   .   9    MET   C     .   10001   1
      54   .   1   1   9    9    MET   CA    C   13   59.4    0.7   .   1   .   .   .   .   9    MET   CA    .   10001   1
      55   .   1   1   9    9    MET   CB    C   13   33.5    0.6   .   1   .   .   .   .   9    MET   CB    .   10001   1
      56   .   1   1   9    9    MET   CE    C   13   15.8    0.4   .   9   .   .   .   .   9    MET   CE    .   10001   1
      57   .   1   1   9    9    MET   CG    C   13   35.3    0.7   .   1   .   .   .   .   9    MET   CG    .   10001   1
      58   .   1   1   9    9    MET   N     N   15   118.1   0.7   .   1   .   .   .   .   9    MET   N     .   10001   1
      59   .   1   1   10   10   ALA   C     C   13   179.1   0.4   .   1   .   .   .   .   10   ALA   C     .   10001   1
      60   .   1   1   10   10   ALA   CA    C   13   55.1    0.5   .   1   .   .   .   .   10   ALA   CA    .   10001   1
      61   .   1   1   10   10   ALA   CB    C   13   18.0    0.5   .   1   .   .   .   .   10   ALA   CB    .   10001   1
      62   .   1   1   10   10   ALA   N     N   15   121.2   0.6   .   1   .   .   .   .   10   ALA   N     .   10001   1
      63   .   1   1   11   11   LYS   C     C   13   178.1   0.5   .   1   .   .   .   .   11   LYS   C     .   10001   1
      64   .   1   1   11   11   LYS   CA    C   13   59.6    0.6   .   1   .   .   .   .   11   LYS   CA    .   10001   1
      65   .   1   1   11   11   LYS   CB    C   13   31.6    0.5   .   1   .   .   .   .   11   LYS   CB    .   10001   1
      66   .   1   1   11   11   LYS   CD    C   13   30.4    1.2   .   1   .   .   .   .   11   LYS   CD    .   10001   1
      67   .   1   1   11   11   LYS   CE    C   13   41.8    0.5   .   5   .   .   .   .   11   LYS   CE    .   10001   1
      68   .   1   1   11   11   LYS   CG    C   13   27.0    0.4   .   1   .   .   .   .   11   LYS   CG    .   10001   1
      69   .   1   1   11   11   LYS   N     N   15   117.4   0.6   .   1   .   .   .   .   11   LYS   N     .   10001   1
      70   .   1   1   11   11   LYS   NZ    N   15   31.7    0.8   .   5   .   .   .   .   11   LYS   NZ    .   10001   1
      71   .   1   1   12   12   LYS   C     C   13   176.9   0.4   .   1   .   .   .   .   12   LYS   C     .   10001   1
      72   .   1   1   12   12   LYS   CA    C   13   56.9    0.7   .   1   .   .   .   .   12   LYS   CA    .   10001   1
      73   .   1   1   12   12   LYS   CB    C   13   31.7    0.4   .   1   .   .   .   .   12   LYS   CB    .   10001   1
      74   .   1   1   12   12   LYS   CD    C   13   30.4    1.2   .   1   .   .   .   .   12   LYS   CD    .   10001   1
      75   .   1   1   12   12   LYS   CE    C   13   41.8    0.5   .   5   .   .   .   .   12   LYS   CE    .   10001   1
      76   .   1   1   12   12   LYS   CG    C   13   27.0    0.4   .   1   .   .   .   .   12   LYS   CG    .   10001   1
      77   .   1   1   12   12   LYS   N     N   15   117.8   0.8   .   1   .   .   .   .   12   LYS   N     .   10001   1
      78   .   1   1   12   12   LYS   NZ    N   15   31.7    0.8   .   5   .   .   .   .   12   LYS   NZ    .   10001   1
      79   .   1   1   13   13   LEU   C     C   13   176.2   0.6   .   1   .   .   .   .   13   LEU   C     .   10001   1
      80   .   1   1   13   13   LEU   CA    C   13   56.8    0.6   .   1   .   .   .   .   13   LEU   CA    .   10001   1
      81   .   1   1   13   13   LEU   CB    C   13   43.6    0.5   .   1   .   .   .   .   13   LEU   CB    .   10001   1
      82   .   1   1   13   13   LEU   CD1   C   13   24.3    0.7   .   5   .   .   .   .   13   LEU   CD1   .   10001   1
      83   .   1   1   13   13   LEU   CD2   C   13   23.3    0.7   .   5   .   .   .   .   13   LEU   CD2   .   10001   1
      84   .   1   1   13   13   LEU   CG    C   13   27.5    0.5   .   1   .   .   .   .   13   LEU   CG    .   10001   1
      85   .   1   1   13   13   LEU   N     N   15   116.1   0.8   .   1   .   .   .   .   13   LEU   N     .   10001   1
      86   .   1   1   14   14   NLW   C     C   13   182.4   0.5   .   1   .   .   .   .   14   LEU   C     .   10001   1
      87   .   1   1   14   14   NLW   CA    C   13   55.9    0.6   .   1   .   .   .   .   14   LEU   CA    .   10001   1
      88   .   1   1   14   14   NLW   CB    C   13   44.5    0.5   .   1   .   .   .   .   14   LEU   CB    .   10001   1
      89   .   1   1   14   14   NLW   CD1   C   13   24.3    0.7   .   5   .   .   .   .   14   LEU   CD1   .   10001   1
      90   .   1   1   14   14   NLW   CD2   C   13   23.3    0.7   .   5   .   .   .   .   14   LEU   CD2   .   10001   1
      91   .   1   1   14   14   NLW   CG    C   13   27.1    0.5   .   1   .   .   .   .   14   LEU   CG    .   10001   1
      92   .   1   1   14   14   NLW   N     N   15   115.0   1.0   .   1   .   .   .   .   14   LEU   N     .   10001   1
      93   .   1   1   14   14   NLW   N2    N   15   106.0   1.0   .   1   .   .   .   .   14   LEU   NH2   .   10001   1
   stop_

   loop_
      _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
      _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
      _Ambiguous_atom_chem_shift.Entry_ID
      _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID

      1   4    10001   1
      1   41   10001   1
      2   31   10001   1
      2   67   10001   1
      2   75   10001   1
      3   34   10001   1
      3   70   10001   1
      3   78   10001   1
      4   82   10001   1
      4   89   10001   1
      5   83   10001   1
      5   90   10001   1
   stop_
save_