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                      25519
   _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 1H-1H TOCSY'            .   .   .   25519   1
      3   '2D 1H-15N HSQC'            .   .   .   25519   1
      4   '2D 1H-13C HSQC'            .   .   .   25519   1
      5   '2D 1H-13C HSQC aromatic'   .   .   .   25519   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   $XEASY   .   .   25519   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    GLY   HA2    H   1    3.804     0.010   .   2   .   .   .   A   1    GLY   HA2    .   25519   1
      2     .   1   1   1    1    GLY   HA3    H   1    3.804     0.010   .   2   .   .   .   A   1    GLY   HA3    .   25519   1
      3     .   1   1   1    1    GLY   CA     C   13   43.286    0.100   .   1   .   .   .   A   1    GLY   CA     .   25519   1
      4     .   1   1   2    2    ASN   H      H   1    8.681     0.010   .   1   .   .   .   A   2    ASN   H      .   25519   1
      5     .   1   1   2    2    ASN   HA     H   1    4.617     0.010   .   1   .   .   .   A   2    ASN   HA     .   25519   1
      6     .   1   1   2    2    ASN   HB2    H   1    2.549     0.010   .   2   .   .   .   A   2    ASN   HB2    .   25519   1
      7     .   1   1   2    2    ASN   HB3    H   1    2.498     0.010   .   2   .   .   .   A   2    ASN   HB3    .   25519   1
      8     .   1   1   2    2    ASN   HD21   H   1    7.536     0.011   .   2   .   .   .   A   2    ASN   HD21   .   25519   1
      9     .   1   1   2    2    ASN   HD22   H   1    6.934     0.010   .   2   .   .   .   A   2    ASN   HD22   .   25519   1
      10    .   1   1   2    2    ASN   CA     C   13   53.095    0.100   .   1   .   .   .   A   2    ASN   CA     .   25519   1
      11    .   1   1   2    2    ASN   CB     C   13   38.985    0.100   .   1   .   .   .   A   2    ASN   CB     .   25519   1
      12    .   1   1   2    2    ASN   N      N   15   118.375   0.100   .   1   .   .   .   A   2    ASN   N      .   25519   1
      13    .   1   1   2    2    ASN   ND2    N   15   113.295   0.100   .   1   .   .   .   A   2    ASN   ND2    .   25519   1
      14    .   1   1   3    3    HIS   H      H   1    8.584     0.010   .   1   .   .   .   A   3    HIS   H      .   25519   1
      15    .   1   1   3    3    HIS   HA     H   1    4.607     0.010   .   1   .   .   .   A   3    HIS   HA     .   25519   1
      16    .   1   1   3    3    HIS   HB2    H   1    3.057     0.010   .   2   .   .   .   A   3    HIS   HB2    .   25519   1
      17    .   1   1   3    3    HIS   HB3    H   1    3.111     0.010   .   2   .   .   .   A   3    HIS   HB3    .   25519   1
      18    .   1   1   3    3    HIS   HD2    H   1    7.083     0.010   .   1   .   .   .   A   3    HIS   HD2    .   25519   1
      19    .   1   1   3    3    HIS   HE1    H   1    8.419     0.010   .   1   .   .   .   A   3    HIS   HE1    .   25519   1
      20    .   1   1   3    3    HIS   CA     C   13   55.634    0.100   .   1   .   .   .   A   3    HIS   CA     .   25519   1
      21    .   1   1   3    3    HIS   CB     C   13   28.993    0.100   .   1   .   .   .   A   3    HIS   CB     .   25519   1
      22    .   1   1   3    3    HIS   CD2    C   13   120.125   0.100   .   1   .   .   .   A   3    HIS   CD2    .   25519   1
      23    .   1   1   3    3    HIS   CE1    C   13   136.611   0.100   .   1   .   .   .   A   3    HIS   CE1    .   25519   1
      24    .   1   1   3    3    HIS   N      N   15   119.590   0.100   .   1   .   .   .   A   3    HIS   N      .   25519   1
      25    .   1   1   4    4    TRP   H      H   1    8.171     0.010   .   1   .   .   .   A   4    TRP   H      .   25519   1
      26    .   1   1   4    4    TRP   HA     H   1    4.667     0.010   .   1   .   .   .   A   4    TRP   HA     .   25519   1
      27    .   1   1   4    4    TRP   HB2    H   1    3.250     0.010   .   2   .   .   .   A   4    TRP   HB2    .   25519   1
      28    .   1   1   4    4    TRP   HB3    H   1    3.166     0.010   .   2   .   .   .   A   4    TRP   HB3    .   25519   1
      29    .   1   1   4    4    TRP   HD1    H   1    7.206     0.010   .   1   .   .   .   A   4    TRP   HD1    .   25519   1
      30    .   1   1   4    4    TRP   HE1    H   1    10.145    0.010   .   1   .   .   .   A   4    TRP   HE1    .   25519   1
      31    .   1   1   4    4    TRP   HE3    H   1    7.555     0.010   .   1   .   .   .   A   4    TRP   HE3    .   25519   1
      32    .   1   1   4    4    TRP   HZ2    H   1    7.474     0.010   .   1   .   .   .   A   4    TRP   HZ2    .   25519   1
      33    .   1   1   4    4    TRP   HZ3    H   1    7.128     0.010   .   1   .   .   .   A   4    TRP   HZ3    .   25519   1
      34    .   1   1   4    4    TRP   HH2    H   1    7.232     0.010   .   1   .   .   .   A   4    TRP   HH2    .   25519   1
      35    .   1   1   4    4    TRP   CA     C   13   57.176    0.100   .   1   .   .   .   A   4    TRP   CA     .   25519   1
      36    .   1   1   4    4    TRP   CB     C   13   29.948    0.100   .   1   .   .   .   A   4    TRP   CB     .   25519   1
      37    .   1   1   4    4    TRP   CD1    C   13   127.286   0.100   .   1   .   .   .   A   4    TRP   CD1    .   25519   1
      38    .   1   1   4    4    TRP   CE3    C   13   120.972   0.100   .   1   .   .   .   A   4    TRP   CE3    .   25519   1
      39    .   1   1   4    4    TRP   CZ2    C   13   114.709   0.100   .   1   .   .   .   A   4    TRP   CZ2    .   25519   1
      40    .   1   1   4    4    TRP   CZ3    C   13   122.148   0.100   .   1   .   .   .   A   4    TRP   CZ3    .   25519   1
      41    .   1   1   4    4    TRP   CH2    C   13   124.938   0.100   .   1   .   .   .   A   4    TRP   CH2    .   25519   1
      42    .   1   1   4    4    TRP   N      N   15   122.380   0.100   .   1   .   .   .   A   4    TRP   N      .   25519   1
      43    .   1   1   4    4    TRP   NE1    N   15   129.249   0.100   .   1   .   .   .   A   4    TRP   NE1    .   25519   1
      44    .   1   1   5    5    ALA   H      H   1    8.271     0.010   .   1   .   .   .   A   5    ALA   H      .   25519   1
      45    .   1   1   5    5    ALA   HA     H   1    4.314     0.010   .   1   .   .   .   A   5    ALA   HA     .   25519   1
      46    .   1   1   5    5    ALA   HB1    H   1    1.321     0.010   .   1   .   .   .   A   5    ALA   HB1    .   25519   1
      47    .   1   1   5    5    ALA   HB2    H   1    1.321     0.010   .   1   .   .   .   A   5    ALA   HB2    .   25519   1
      48    .   1   1   5    5    ALA   HB3    H   1    1.321     0.010   .   1   .   .   .   A   5    ALA   HB3    .   25519   1
      49    .   1   1   5    5    ALA   CA     C   13   52.236    0.100   .   1   .   .   .   A   5    ALA   CA     .   25519   1
      50    .   1   1   5    5    ALA   CB     C   13   19.605    0.100   .   1   .   .   .   A   5    ALA   CB     .   25519   1
      51    .   1   1   5    5    ALA   N      N   15   125.787   0.100   .   1   .   .   .   A   5    ALA   N      .   25519   1
      52    .   1   1   6    6    VAL   H      H   1    8.133     0.010   .   1   .   .   .   A   6    VAL   H      .   25519   1
      53    .   1   1   6    6    VAL   HA     H   1    3.990     0.010   .   1   .   .   .   A   6    VAL   HA     .   25519   1
      54    .   1   1   6    6    VAL   HB     H   1    2.047     0.010   .   1   .   .   .   A   6    VAL   HB     .   25519   1
      55    .   1   1   6    6    VAL   HG11   H   1    0.975     0.010   .   2   .   .   .   A   6    VAL   HG11   .   25519   1
      56    .   1   1   6    6    VAL   HG12   H   1    0.975     0.010   .   2   .   .   .   A   6    VAL   HG12   .   25519   1
      57    .   1   1   6    6    VAL   HG13   H   1    0.975     0.010   .   2   .   .   .   A   6    VAL   HG13   .   25519   1
      58    .   1   1   6    6    VAL   HG21   H   1    0.946     0.010   .   2   .   .   .   A   6    VAL   HG21   .   25519   1
      59    .   1   1   6    6    VAL   HG22   H   1    0.946     0.010   .   2   .   .   .   A   6    VAL   HG22   .   25519   1
      60    .   1   1   6    6    VAL   HG23   H   1    0.946     0.010   .   2   .   .   .   A   6    VAL   HG23   .   25519   1
      61    .   1   1   6    6    VAL   CA     C   13   62.944    0.100   .   1   .   .   .   A   6    VAL   CA     .   25519   1
      62    .   1   1   6    6    VAL   CB     C   13   32.564    0.100   .   1   .   .   .   A   6    VAL   CB     .   25519   1
      63    .   1   1   6    6    VAL   CG1    C   13   20.864    0.100   .   1   .   .   .   A   6    VAL   CG1    .   25519   1
      64    .   1   1   6    6    VAL   CG2    C   13   21.036    0.100   .   1   .   .   .   A   6    VAL   CG2    .   25519   1
      65    .   1   1   6    6    VAL   N      N   15   119.815   0.100   .   1   .   .   .   A   6    VAL   N      .   25519   1
      66    .   1   1   7    7    GLY   H      H   1    8.546     0.010   .   1   .   .   .   A   7    GLY   H      .   25519   1
      67    .   1   1   7    7    GLY   HA2    H   1    3.900     0.010   .   2   .   .   .   A   7    GLY   HA2    .   25519   1
      68    .   1   1   7    7    GLY   HA3    H   1    3.943     0.010   .   2   .   .   .   A   7    GLY   HA3    .   25519   1
      69    .   1   1   7    7    GLY   CA     C   13   45.117    0.100   .   1   .   .   .   A   7    GLY   CA     .   25519   1
      70    .   1   1   7    7    GLY   N      N   15   112.470   0.100   .   1   .   .   .   A   7    GLY   N      .   25519   1
      71    .   1   1   8    8    HIS   H      H   1    8.316     0.011   .   1   .   .   .   A   8    HIS   H      .   25519   1
      72    .   1   1   8    8    HIS   HA     H   1    4.617     0.010   .   1   .   .   .   A   8    HIS   HA     .   25519   1
      73    .   1   1   8    8    HIS   HB2    H   1    3.222     0.010   .   2   .   .   .   A   8    HIS   HB2    .   25519   1
      74    .   1   1   8    8    HIS   HB3    H   1    3.113     0.010   .   2   .   .   .   A   8    HIS   HB3    .   25519   1
      75    .   1   1   8    8    HIS   HD2    H   1    7.145     0.010   .   1   .   .   .   A   8    HIS   HD2    .   25519   1
      76    .   1   1   8    8    HIS   HE1    H   1    8.432     0.010   .   1   .   .   .   A   8    HIS   HE1    .   25519   1
      77    .   1   1   8    8    HIS   CA     C   13   55.447    0.100   .   1   .   .   .   A   8    HIS   CA     .   25519   1
      78    .   1   1   8    8    HIS   CB     C   13   29.234    0.100   .   1   .   .   .   A   8    HIS   CB     .   25519   1
      79    .   1   1   8    8    HIS   CD2    C   13   120.181   0.100   .   1   .   .   .   A   8    HIS   CD2    .   25519   1
      80    .   1   1   8    8    HIS   CE1    C   13   136.607   0.100   .   1   .   .   .   A   8    HIS   CE1    .   25519   1
      81    .   1   1   8    8    HIS   N      N   15   118.586   0.100   .   1   .   .   .   A   8    HIS   N      .   25519   1
      82    .   1   1   9    9    LEU   H      H   1    8.397     0.010   .   1   .   .   .   A   9    LEU   H      .   25519   1
      83    .   1   1   9    9    LEU   HA     H   1    4.290     0.010   .   1   .   .   .   A   9    LEU   HA     .   25519   1
      84    .   1   1   9    9    LEU   HB2    H   1    1.609     0.010   .   2   .   .   .   A   9    LEU   HB2    .   25519   1
      85    .   1   1   9    9    LEU   HB3    H   1    1.532     0.010   .   2   .   .   .   A   9    LEU   HB3    .   25519   1
      86    .   1   1   9    9    LEU   HG     H   1    1.538     0.010   .   1   .   .   .   A   9    LEU   HG     .   25519   1
      87    .   1   1   9    9    LEU   HD11   H   1    0.890     0.010   .   2   .   .   .   A   9    LEU   HD11   .   25519   1
      88    .   1   1   9    9    LEU   HD12   H   1    0.890     0.010   .   2   .   .   .   A   9    LEU   HD12   .   25519   1
      89    .   1   1   9    9    LEU   HD13   H   1    0.890     0.010   .   2   .   .   .   A   9    LEU   HD13   .   25519   1
      90    .   1   1   9    9    LEU   HD21   H   1    0.844     0.010   .   2   .   .   .   A   9    LEU   HD21   .   25519   1
      91    .   1   1   9    9    LEU   HD22   H   1    0.844     0.010   .   2   .   .   .   A   9    LEU   HD22   .   25519   1
      92    .   1   1   9    9    LEU   HD23   H   1    0.844     0.010   .   2   .   .   .   A   9    LEU   HD23   .   25519   1
      93    .   1   1   9    9    LEU   CA     C   13   55.396    0.100   .   1   .   .   .   A   9    LEU   CA     .   25519   1
      94    .   1   1   9    9    LEU   CB     C   13   42.197    0.100   .   1   .   .   .   A   9    LEU   CB     .   25519   1
      95    .   1   1   9    9    LEU   CG     C   13   26.985    0.100   .   1   .   .   .   A   9    LEU   CG     .   25519   1
      96    .   1   1   9    9    LEU   CD1    C   13   24.829    0.100   .   1   .   .   .   A   9    LEU   CD1    .   25519   1
      97    .   1   1   9    9    LEU   CD2    C   13   23.475    0.100   .   1   .   .   .   A   9    LEU   CD2    .   25519   1
      98    .   1   1   9    9    LEU   N      N   15   123.950   0.100   .   1   .   .   .   A   9    LEU   N      .   25519   1
      99    .   1   1   10   10   MET   H      H   1    8.428     0.010   .   1   .   .   .   A   10   MET   H      .   25519   1
      100   .   1   1   10   10   MET   HA     H   1    4.402     0.010   .   1   .   .   .   A   10   MET   HA     .   25519   1
      101   .   1   1   10   10   MET   HB2    H   1    2.069     0.010   .   2   .   .   .   A   10   MET   HB2    .   25519   1
      102   .   1   1   10   10   MET   HB3    H   1    1.965     0.010   .   2   .   .   .   A   10   MET   HB3    .   25519   1
      103   .   1   1   10   10   MET   HG2    H   1    2.496     0.010   .   2   .   .   .   A   10   MET   HG2    .   25519   1
      104   .   1   1   10   10   MET   HG3    H   1    2.591     0.010   .   2   .   .   .   A   10   MET   HG3    .   25519   1
      105   .   1   1   10   10   MET   HE1    H   1    2.082     0.010   .   1   .   .   .   A   10   MET   HE1    .   25519   1
      106   .   1   1   10   10   MET   HE2    H   1    2.082     0.010   .   1   .   .   .   A   10   MET   HE2    .   25519   1
      107   .   1   1   10   10   MET   HE3    H   1    2.082     0.010   .   1   .   .   .   A   10   MET   HE3    .   25519   1
      108   .   1   1   10   10   MET   CA     C   13   55.093    0.100   .   1   .   .   .   A   10   MET   CA     .   25519   1
      109   .   1   1   10   10   MET   CB     C   13   32.799    0.100   .   1   .   .   .   A   10   MET   CB     .   25519   1
      110   .   1   1   10   10   MET   CG     C   13   32.174    0.100   .   1   .   .   .   A   10   MET   CG     .   25519   1
      111   .   1   1   10   10   MET   CE     C   13   16.801    0.100   .   1   .   .   .   A   10   MET   CE     .   25519   1
      112   .   1   1   10   10   MET   N      N   15   121.757   0.100   .   1   .   .   .   A   10   MET   N      .   25519   1
      113   .   1   1   11   11   NH2   HN1    H   1    7.548     0.010   .   2   .   .   .   .   11   NH2   HN1    .   25519   1
      114   .   1   1   11   11   NH2   HN2    H   1    7.154     0.012   .   2   .   .   .   .   11   NH2   HN2    .   25519   1
      115   .   1   1   11   11   NH2   N      N   15   108.266   0.100   .   1   .   .   .   .   11   NH2   N      .   25519   1
   stop_
save_