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                      52257
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          Mdm2aa211_223_pS215
   _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-15N HSQC'   .   .   .   52257   1
      2   '2D 1H-1H TOCSY'   .   .   .   52257   1
      3   '2D 1H-1H ROESY'   .   .   .   52257   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

      3   $software_3   .   .   52257   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   2    2    SER   H      H   1    8.497799645   0.002151815067   .   .   .   .   .   .   .   211   SER   H      .   52257   1
      2    .   1   .   1   2    2    SER   HA     H   1    4.497875964   .                .   .   .   .   .   .   .   211   SER   HA     .   52257   1
      3    .   1   .   1   2    2    SER   HB2    H   1    3.876080316   .                .   .   .   .   .   .   .   211   SER   HB#    .   52257   1
      4    .   1   .   1   2    2    SER   HB3    H   1    3.876080316   .                .   .   .   .   .   .   .   211   SER   HB#    .   52257   1
      5    .   1   .   1   2    2    SER   N      N   15   122.0624471   .                .   .   .   .   .   .   .   211   SER   N      .   52257   1
      6    .   1   .   1   3    3    SER   H      H   1    8.639199328   0.001771302662   .   .   .   .   .   .   .   212   SER   H      .   52257   1
      7    .   1   .   1   3    3    SER   HA     H   1    4.563914252   .                .   .   .   .   .   .   .   212   SER   HA     .   52257   1
      8    .   1   .   1   3    3    SER   HB2    H   1    3.946527485   .                .   .   .   .   .   .   .   212   SER   HB2    .   52257   1
      9    .   1   .   1   3    3    SER   HB3    H   1    3.893986923   .                .   .   .   .   .   .   .   212   SER   HB3    .   52257   1
      10   .   1   .   1   3    3    SER   N      N   15   118.3633724   .                .   .   .   .   .   .   .   212   SER   N      .   52257   1
      11   .   1   .   1   4    4    SER   H      H   1    8.519593841   0.001706747371   .   .   .   .   .   .   .   213   SER   H      .   52257   1
      12   .   1   .   1   4    4    SER   HA     H   1    4.513816256   .                .   .   .   .   .   .   .   213   SER   HA     .   52257   1
      13   .   1   .   1   4    4    SER   HB2    H   1    3.959103531   .                .   .   .   .   .   .   .   213   SER   HB2    .   52257   1
      14   .   1   .   1   4    4    SER   HB3    H   1    3.851265083   .                .   .   .   .   .   .   .   213   SER   HB3    .   52257   1
      15   .   1   .   1   4    4    SER   N      N   15   117.9342606   .                .   .   .   .   .   .   .   213   SER   N      .   52257   1
      16   .   1   .   1   5    5    GLU   H      H   1    8.606240724   0.002645299315   .   .   .   .   .   .   .   214   GLU   H      .   52257   1
      17   .   1   .   1   5    5    GLU   HA     H   1    4.334253441   .                .   .   .   .   .   .   .   214   GLU   HA     .   52257   1
      18   .   1   .   1   5    5    GLU   HB2    H   1    2.289989999   .                .   .   .   .   .   .   .   214   GLU   HB#    .   52257   1
      19   .   1   .   1   5    5    GLU   HB3    H   1    2.289989999   .                .   .   .   .   .   .   .   214   GLU   HB#    .   52257   1
      20   .   1   .   1   5    5    GLU   HG2    H   1    1.957507092   .                .   .   .   .   .   .   .   214   GLU   HG#    .   52257   1
      21   .   1   .   1   5    5    GLU   HG3    H   1    1.957507092   .                .   .   .   .   .   .   .   214   GLU   HG#    .   52257   1
      22   .   1   .   1   5    5    GLU   N      N   15   123.0097419   .                .   .   .   .   .   .   .   214   GLU   N      .   52257   1
      23   .   1   .   1   6    6    SEP   H      H   1    8.864449472   0.00356620221    .   .   .   .   .   .   .   215   SEP   H      .   52257   1
      24   .   1   .   1   6    6    SEP   HA     H   1    4.546380863   .                .   .   .   .   .   .   .   215   SEP   HA     .   52257   1
      25   .   1   .   1   6    6    SEP   HB2    H   1    4.086583594   .                .   .   .   .   .   .   .   215   SEP   HB2    .   52257   1
      26   .   1   .   1   6    6    SEP   HB3    H   1    4.03443881    .                .   .   .   .   .   .   .   215   SEP   HB3    .   52257   1
      27   .   1   .   1   6    6    SEP   N      N   15   117.5071591   .                .   .   .   .   .   .   .   215   SEP   N      .   52257   1
      28   .   1   .   1   7    7    THR   H      H   1    8.341584396   0.00317249902    .   .   .   .   .   .   .   216   THR   H      .   52257   1
      29   .   1   .   1   7    7    THR   HA     H   1    4.373518791   .                .   .   .   .   .   .   .   216   THR   HA     .   52257   1
      30   .   1   .   1   7    7    THR   HB     H   1    4.320099652   .                .   .   .   .   .   .   .   216   THR   HB     .   52257   1
      31   .   1   .   1   7    7    THR   HG21   H   1    1.244283332   .                .   .   .   .   .   .   .   216   THR   HG2#   .   52257   1
      32   .   1   .   1   7    7    THR   HG22   H   1    1.244283332   .                .   .   .   .   .   .   .   216   THR   HG2#   .   52257   1
      33   .   1   .   1   7    7    THR   HG23   H   1    1.244283332   .                .   .   .   .   .   .   .   216   THR   HG2#   .   52257   1
      34   .   1   .   1   7    7    THR   N      N   15   115.7329954   .                .   .   .   .   .   .   .   216   THR   N      .   52257   1
      35   .   1   .   1   8    8    GLY   H      H   1    8.388628365   0.002621747281   .   .   .   .   .   .   .   217   GLY   H      .   52257   1
      36   .   1   .   1   8    8    GLY   HA2    H   1    4.023062611   .                .   .   .   .   .   .   .   217   GLY   HA#    .   52257   1
      37   .   1   .   1   8    8    GLY   HA3    H   1    4.023062611   .                .   .   .   .   .   .   .   217   GLY   HA#    .   52257   1
      38   .   1   .   1   8    8    GLY   N      N   15   111.4703403   .                .   .   .   .   .   .   .   217   GLY   N      .   52257   1
      39   .   1   .   1   9    9    THR   H      H   1    8.204088821   0.00345904161    .   .   .   .   .   .   .   218   THR   H      .   52257   1
      40   .   1   .   1   9    9    THR   HA     H   1    4.534539027   0.08601183788    .   .   .   .   .   .   .   218   THR   HA     .   52257   1
      41   .   1   .   1   9    9    THR   HB     H   1    4.134787897   .                .   .   .   .   .   .   .   218   THR   HB     .   52257   1
      42   .   1   .   1   9    9    THR   HG21   H   1    1.241348981   .                .   .   .   .   .   .   .   218   THR   HG2#   .   52257   1
      43   .   1   .   1   9    9    THR   HG22   H   1    1.241348981   .                .   .   .   .   .   .   .   218   THR   HG2#   .   52257   1
      44   .   1   .   1   9    9    THR   HG23   H   1    1.241348981   .                .   .   .   .   .   .   .   218   THR   HG2#   .   52257   1
      45   .   1   .   1   9    9    THR   N      N   15   117.0645491   .                .   .   .   .   .   .   .   218   THR   N      .   52257   1
      46   .   1   .   1   10   10   PRO   HA     H   1    4.448527189   .                .   .   .   .   .   .   .   219   PRO   HA     .   52257   1
      47   .   1   .   1   11   11   SER   H      H   1    8.548497011   0.001431585738   .   .   .   .   .   .   .   220   SER   H      .   52257   1
      48   .   1   .   1   11   11   SER   HA     H   1    4.374787184   .                .   .   .   .   .   .   .   220   SER   HA     .   52257   1
      49   .   1   .   1   11   11   SER   HB2    H   1    3.842870324   .                .   .   .   .   .   .   .   220   SER   HB#    .   52257   1
      50   .   1   .   1   11   11   SER   HB3    H   1    3.842870324   .                .   .   .   .   .   .   .   220   SER   HB#    .   52257   1
      51   .   1   .   1   11   11   SER   N      N   15   116.5323711   .                .   .   .   .   .   .   .   220   SER   N      .   52257   1
      52   .   1   .   1   12   12   ASN   H      H   1    8.54984172    0.001984792428   .   .   .   .   .   .   .   221   ASN   H      .   52257   1
      53   .   1   .   1   12   12   ASN   HA     H   1    5.023194745   .                .   .   .   .   .   .   .   221   ASN   HA     .   52257   1
      54   .   1   .   1   12   12   ASN   HB2    H   1    2.868017836   .                .   .   .   .   .   .   .   221   ASN   HB2    .   52257   1
      55   .   1   .   1   12   12   ASN   HB3    H   1    2.708286136   .                .   .   .   .   .   .   .   221   ASN   HB3    .   52257   1
      56   .   1   .   1   12   12   ASN   N      N   15   121.2940791   .                .   .   .   .   .   .   .   221   ASN   N      .   52257   1
      57   .   1   .   1   13   13   PRO   HA     H   1    4.400415681   .                .   .   .   .   .   .   .   222   PRO   HA     .   52257   1
      58   .   1   .   1   14   14   ASP   H      H   1    8.309139932   0.002495334121   .   .   .   .   .   .   .   223   ASP   H      .   52257   1
      59   .   1   .   1   14   14   ASP   HA     H   1    4.572003238   .                .   .   .   .   .   .   .   223   ASP   HA     .   52257   1
      60   .   1   .   1   14   14   ASP   HB2    H   1    2.722057857   .                .   .   .   .   .   .   .   223   ASP   HB2    .   52257   1
      61   .   1   .   1   14   14   ASP   HB3    H   1    2.599063662   .                .   .   .   .   .   .   .   223   ASP   HB3    .   52257   1
      62   .   1   .   1   14   14   ASP   N      N   15   119.9560146   .                .   .   .   .   .   .   .   223   ASP   N      .   52257   1
   stop_
save_