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                      17472
   _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-15N HSQC' . . . 17472 1 
      2 '3D CBCA(CO)NH'  . . . 17472 1 
      3 '3D HNCACB'      . . . 17472 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  5  5 ARG H   H  1   8.384 0.001 . 1 . . . .  5 ARG HN  . 17472 1 
        2 . 1 1  5  5 ARG HA  H  1   4.225 0.000 . 1 . . . .  5 ARG HA  . 17472 1 
        3 . 1 1  5  5 ARG CA  C 13  56.779 0.000 . 1 . . . .  5 ARG CA  . 17472 1 
        4 . 1 1  5  5 ARG CB  C 13  30.724 0.000 . 1 . . . .  5 ARG CB  . 17472 1 
        5 . 1 1  5  5 ARG N   N 15 122.561 0.027 . 1 . . . .  5 ARG N   . 17472 1 
        6 . 1 1  6  6 GLY H   H  1   8.540 0.002 . 1 . . . .  6 GLY HN  . 17472 1 
        7 . 1 1  6  6 GLY CA  C 13  45.400 0.000 . 1 . . . .  6 GLY CA  . 17472 1 
        8 . 1 1  6  6 GLY N   N 15 110.309 0.044 . 1 . . . .  6 GLY N   . 17472 1 
        9 . 1 1  7  7 TRP H   H  1   7.906 0.001 . 1 . . . .  7 TRP HN  . 17472 1 
       10 . 1 1  7  7 TRP CA  C 13  57.665 0.000 . 1 . . . .  7 TRP CA  . 17472 1 
       11 . 1 1  7  7 TRP N   N 15 120.462 0.033 . 1 . . . .  7 TRP N   . 17472 1 
       12 . 1 1  8  8 GLU H   H  1   8.302 0.001 . 1 . . . .  8 GLU HN  . 17472 1 
       13 . 1 1  8  8 GLU HA  H  1   4.074 0.000 . 1 . . . .  8 GLU HA  . 17472 1 
       14 . 1 1  8  8 GLU CA  C 13  57.462 0.000 . 1 . . . .  8 GLU CA  . 17472 1 
       15 . 1 1  8  8 GLU N   N 15 121.753 0.007 . 1 . . . .  8 GLU N   . 17472 1 
       16 . 1 1  9  9 ILE H   H  1   7.888 0.001 . 1 . . . .  9 ILE HN  . 17472 1 
       17 . 1 1  9  9 ILE HA  H  1   4.010 0.000 . 1 . . . .  9 ILE HA  . 17472 1 
       18 . 1 1  9  9 ILE CA  C 13  62.389 0.000 . 1 . . . .  9 ILE CA  . 17472 1 
       19 . 1 1  9  9 ILE N   N 15 120.569 0.070 . 1 . . . .  9 ILE N   . 17472 1 
       20 . 1 1 10 10 LEU H   H  1   8.023 0.001 . 1 . . . . 10 LEU HN  . 17472 1 
       21 . 1 1 10 10 LEU HA  H  1   4.279 0.000 . 1 . . . . 10 LEU HA  . 17472 1 
       22 . 1 1 10 10 LEU CA  C 13  55.933 0.000 . 1 . . . . 10 LEU CA  . 17472 1 
       23 . 1 1 10 10 LEU CB  C 13  42.280 0.000 . 1 . . . . 10 LEU CB  . 17472 1 
       24 . 1 1 10 10 LEU N   N 15 124.414 0.031 . 1 . . . . 10 LEU N   . 17472 1 
       25 . 1 1 11 11 ARG H   H  1   8.163 0.001 . 1 . . . . 11 ARG HN  . 17472 1 
       26 . 1 1 11 11 ARG CA  C 13  56.798 0.000 . 1 . . . . 11 ARG CA  . 17472 1 
       27 . 1 1 11 11 ARG N   N 15 121.143 0.027 . 1 . . . . 11 ARG N   . 17472 1 
       28 . 1 1 13 13 ASN H   H  1   8.425 0.001 . 1 . . . . 13 ASN HN  . 17472 1 
       29 . 1 1 13 13 ASN HA  H  1   4.731 0.000 . 1 . . . . 13 ASN HA  . 17472 1 
       30 . 1 1 13 13 ASN CA  C 13  53.601 0.000 . 1 . . . . 13 ASN CA  . 17472 1 
       31 . 1 1 13 13 ASN N   N 15 119.342 0.030 . 1 . . . . 13 ASN N   . 17472 1 
       32 . 1 1 14 14 THR H   H  1   8.071 0.001 . 1 . . . . 14 THR HN  . 17472 1 
       33 . 1 1 14 14 THR HA  H  1   4.287 0.000 . 1 . . . . 14 THR HA  . 17472 1 
       34 . 1 1 14 14 THR CA  C 13  62.308 0.000 . 1 . . . . 14 THR CA  . 17472 1 
       35 . 1 1 14 14 THR CB  C 13  69.568 0.000 . 1 . . . . 14 THR CB  . 17472 1 
       36 . 1 1 14 14 THR N   N 15 114.077 0.023 . 1 . . . . 14 THR N   . 17472 1 
       37 . 1 1 15 15 LEU H   H  1   8.167 0.014 . 1 . . . . 15 LEU HN  . 17472 1 
       38 . 1 1 15 15 LEU HA  H  1   4.291 0.000 . 1 . . . . 15 LEU HA  . 17472 1 
       39 . 1 1 15 15 LEU CA  C 13  56.010 0.000 . 1 . . . . 15 LEU CA  . 17472 1 
       40 . 1 1 15 15 LEU CB  C 13  42.266 0.000 . 1 . . . . 15 LEU CB  . 17472 1 
       41 . 1 1 15 15 LEU N   N 15 123.411 0.127 . 1 . . . . 15 LEU N   . 17472 1 
       42 . 1 1 16 16 GLY H   H  1   8.286 0.001 . 1 . . . . 16 GLY HN  . 17472 1 
       43 . 1 1 16 16 GLY CA  C 13  45.546 0.000 . 1 . . . . 16 GLY CA  . 17472 1 
       44 . 1 1 16 16 GLY N   N 15 108.840 0.026 . 1 . . . . 16 GLY N   . 17472 1 
       45 . 1 1 17 17 HIS H   H  1   8.223 0.002 . 1 . . . . 17 HIS HN  . 17472 1 
       46 . 1 1 17 17 HIS HA  H  1   4.657 0.000 . 1 . . . . 17 HIS HA  . 17472 1 
       47 . 1 1 17 17 HIS CA  C 13  55.819 0.000 . 1 . . . . 17 HIS CA  . 17472 1 
       48 . 1 1 17 17 HIS CB  C 13  29.520 0.000 . 1 . . . . 17 HIS CB  . 17472 1 
       49 . 1 1 17 17 HIS N   N 15 117.991 0.013 . 1 . . . . 17 HIS N   . 17472 1 
       50 . 1 1 21 21 GLY H   H  1   8.359 0.001 . 1 . . . . 21 GLY HN  . 17472 1 
       51 . 1 1 21 21 GLY HA2 H  1   4.295 0.000 . 2 . . . . 21 GLY HA2 . 17472 1 
       52 . 1 1 21 21 GLY CA  C 13  45.407 0.000 . 1 . . . . 21 GLY CA  . 17472 1 
       53 . 1 1 21 21 GLY N   N 15 108.808 0.031 . 1 . . . . 21 GLY N   . 17472 1 
       54 . 1 1 25 25 SER H   H  1   8.323 0.001 . 1 . . . . 25 SER HN  . 17472 1 
       55 . 1 1 25 25 SER HA  H  1   4.440 0.000 . 1 . . . . 25 SER HA  . 17472 1 
       56 . 1 1 25 25 SER CA  C 13  58.412 0.000 . 1 . . . . 25 SER CA  . 17472 1 
       57 . 1 1 25 25 SER CB  C 13  63.825 0.000 . 1 . . . . 25 SER CB  . 17472 1 
       58 . 1 1 25 25 SER N   N 15 116.187 0.025 . 1 . . . . 25 SER N   . 17472 1 
       59 . 1 1 26 26 GLU H   H  1   8.363 0.001 . 1 . . . . 26 GLU HN  . 17472 1 
       60 . 1 1 26 26 GLU HA  H  1   4.293 0.000 . 1 . . . . 26 GLU HA  . 17472 1 
       61 . 1 1 26 26 GLU CA  C 13  57.090 0.000 . 1 . . . . 26 GLU CA  . 17472 1 
       62 . 1 1 26 26 GLU CB  C 13  30.480 0.000 . 1 . . . . 26 GLU CB  . 17472 1 
       63 . 1 1 26 26 GLU N   N 15 122.472 0.016 . 1 . . . . 26 GLU N   . 17472 1 
       64 . 1 1 27 27 GLY H   H  1   8.346 0.001 . 1 . . . . 27 GLY HN  . 17472 1 
       65 . 1 1 27 27 GLY CA  C 13  45.488 0.000 . 1 . . . . 27 GLY CA  . 17472 1 
       66 . 1 1 27 27 GLY N   N 15 109.672 0.029 . 1 . . . . 27 GLY N   . 17472 1 
       67 . 1 1 29 29 GLY H   H  1   8.422 0.001 . 1 . . . . 29 GLY HN  . 17472 1 
       68 . 1 1 29 29 GLY CA  C 13  45.666 0.000 . 1 . . . . 29 GLY CA  . 17472 1 
       69 . 1 1 29 29 GLY N   N 15 109.308 0.047 . 1 . . . . 29 GLY N   . 17472 1 
       70 . 1 1 30 30 GLU H   H  1   8.275 0.012 . 1 . . . . 30 GLU HN  . 17472 1 
       71 . 1 1 30 30 GLU CA  C 13  56.936 0.000 . 1 . . . . 30 GLU CA  . 17472 1 
       72 . 1 1 30 30 GLU CB  C 13  30.362 0.000 . 1 . . . . 30 GLU CB  . 17472 1 
       73 . 1 1 30 30 GLU N   N 15 120.389 0.026 . 1 . . . . 30 GLU N   . 17472 1 
       74 . 1 1 31 31 GLU H   H  1   8.510 0.007 . 1 . . . . 31 GLU HN  . 17472 1 
       75 . 1 1 31 31 GLU HA  H  1   4.189 0.000 . 1 . . . . 31 GLU HA  . 17472 1 
       76 . 1 1 31 31 GLU CB  C 13  30.082 0.000 . 1 . . . . 31 GLU CB  . 17472 1 
       77 . 1 1 31 31 GLU N   N 15 121.290 0.106 . 1 . . . . 31 GLU N   . 17472 1 
       78 . 1 1 32 32 VAL H   H  1   7.909 0.001 . 1 . . . . 32 VAL HN  . 17472 1 
       79 . 1 1 32 32 VAL HA  H  1   3.903 0.000 . 1 . . . . 32 VAL HA  . 17472 1 
       80 . 1 1 32 32 VAL CA  C 13  63.074 0.000 . 1 . . . . 32 VAL CA  . 17472 1 
       81 . 1 1 32 32 VAL CB  C 13  32.728 0.000 . 1 . . . . 32 VAL CB  . 17472 1 
       82 . 1 1 32 32 VAL N   N 15 120.049 0.006 . 1 . . . . 32 VAL N   . 17472 1 
       83 . 1 1 33 33 TYR H   H  1   7.983 0.001 . 1 . . . . 33 TYR HN  . 17472 1 
       84 . 1 1 33 33 TYR HA  H  1   4.390 0.000 . 1 . . . . 33 TYR HA  . 17472 1 
       85 . 1 1 33 33 TYR CA  C 13  58.838 0.000 . 1 . . . . 33 TYR CA  . 17472 1 
       86 . 1 1 33 33 TYR CB  C 13  38.675 0.000 . 1 . . . . 33 TYR CB  . 17472 1 
       87 . 1 1 33 33 TYR N   N 15 121.868 0.035 . 1 . . . . 33 TYR N   . 17472 1 
       88 . 1 1 34 34 HIS H   H  1   8.164 0.002 . 1 . . . . 34 HIS HN  . 17472 1 
       89 . 1 1 34 34 HIS HA  H  1   4.558 0.000 . 1 . . . . 34 HIS HA  . 17472 1 
       90 . 1 1 34 34 HIS CA  C 13  55.997 0.000 . 1 . . . . 34 HIS CA  . 17472 1 
       91 . 1 1 34 34 HIS CB  C 13  29.183 0.000 . 1 . . . . 34 HIS CB  . 17472 1 
       92 . 1 1 34 34 HIS N   N 15 119.594 0.031 . 1 . . . . 34 HIS N   . 17472 1 
       93 . 1 1 35 35 PHE H   H  1   8.071 0.001 . 1 . . . . 35 PHE HN  . 17472 1 
       94 . 1 1 35 35 PHE HA  H  1   4.457 0.000 . 1 . . . . 35 PHE HA  . 17472 1 
       95 . 1 1 35 35 PHE CA  C 13  58.742 0.000 . 1 . . . . 35 PHE CA  . 17472 1 
       96 . 1 1 35 35 PHE CB  C 13  39.438 0.000 . 1 . . . . 35 PHE CB  . 17472 1 
       97 . 1 1 35 35 PHE N   N 15 120.777 0.020 . 1 . . . . 35 PHE N   . 17472 1 
       98 . 1 1 36 36 LEU H   H  1   8.184 0.021 . 1 . . . . 36 LEU HN  . 17472 1 
       99 . 1 1 36 36 LEU HA  H  1   4.172 0.000 . 1 . . . . 36 LEU HA  . 17472 1 
      100 . 1 1 36 36 LEU CA  C 13  55.577 0.000 . 1 . . . . 36 LEU CA  . 17472 1 
      101 . 1 1 36 36 LEU CB  C 13  42.447 0.000 . 1 . . . . 36 LEU CB  . 17472 1 
      102 . 1 1 36 36 LEU N   N 15 122.529 0.068 . 1 . . . . 36 LEU N   . 17472 1 
      103 . 1 1 37 37 GLU H   H  1   8.112 0.001 . 1 . . . . 37 GLU HN  . 17472 1 
      104 . 1 1 37 37 GLU HA  H  1   4.090 0.000 . 1 . . . . 37 GLU HA  . 17472 1 
      105 . 1 1 37 37 GLU CA  C 13  56.879 0.000 . 1 . . . . 37 GLU CA  . 17472 1 
      106 . 1 1 37 37 GLU CB  C 13  30.381 0.000 . 1 . . . . 37 GLU CB  . 17472 1 
      107 . 1 1 37 37 GLU N   N 15 120.518 0.035 . 1 . . . . 37 GLU N   . 17472 1 

   stop_

save_