Content for NMR-STAR saveframe, "chem_shift_list_1"

    save_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      7282
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
   _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 $sample_1 isotropic 7282 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 SER H    H  1  8.483 0.01 . 1 . . . . 17 SER H    . 7282 1 
        2 . 1 1  1  1 SER HA   H  1  4.381 0.01 . 1 . . . . 17 SER HA   . 7282 1 
        3 . 1 1  1  1 SER HB2  H  1  4.031 0.01 . 2 . . . . 17 SER HB2  . 7282 1 
        4 . 1 1  1  1 SER HB3  H  1  3.877 0.01 . 2 . . . . 17 SER HB3  . 7282 1 
        5 . 1 1  1  1 SER CA   C 13 58.941 0.1  . 1 . . . . 17 SER CA   . 7282 1 
        6 . 1 1  1  1 SER CB   C 13 63.905 0.1  . 1 . . . . 17 SER CB   . 7282 1 
        7 . 1 1  2  2 ALA H    H  1  8.855 0.01 . 1 . . . . 18 ALA H    . 7282 1 
        8 . 1 1  2  2 ALA HA   H  1  4.220 0.01 . 1 . . . . 18 ALA HA   . 7282 1 
        9 . 1 1  2  2 ALA HB1  H  1  1.404 0.01 . 1 . . . . 18 ALA HB   . 7282 1 
       10 . 1 1  2  2 ALA HB2  H  1  1.404 0.01 . 1 . . . . 18 ALA HB   . 7282 1 
       11 . 1 1  2  2 ALA HB3  H  1  1.404 0.01 . 1 . . . . 18 ALA HB   . 7282 1 
       12 . 1 1  2  2 ALA CA   C 13 54.450 0.1  . 1 . . . . 18 ALA CA   . 7282 1 
       13 . 1 1  3  3 ALA H    H  1  8.407 0.01 . 1 . . . . 19 ALA H    . 7282 1 
       14 . 1 1  3  3 ALA HA   H  1  4.204 0.01 . 1 . . . . 19 ALA HA   . 7282 1 
       15 . 1 1  3  3 ALA HB1  H  1  1.400 0.01 . 1 . . . . 19 ALA HB   . 7282 1 
       16 . 1 1  3  3 ALA HB2  H  1  1.400 0.01 . 1 . . . . 19 ALA HB   . 7282 1 
       17 . 1 1  3  3 ALA HB3  H  1  1.400 0.01 . 1 . . . . 19 ALA HB   . 7282 1 
       18 . 1 1  3  3 ALA CA   C 13 54.420 0.1  . 1 . . . . 19 ALA CA   . 7282 1 
       19 . 1 1  4  4 GLU H    H  1  8.106 0.01 . 1 . . . . 20 GLU H    . 7282 1 
       20 . 1 1  4  4 GLU HA   H  1  4.084 0.01 . 1 . . . . 20 GLU HA   . 7282 1 
       21 . 1 1  4  4 GLU HB2  H  1  2.069 0.01 . 2 . . . . 20 GLU HB2  . 7282 1 
       22 . 1 1  4  4 GLU HB3  H  1  2.024 0.01 . 2 . . . . 20 GLU HB3  . 7282 1 
       23 . 1 1  4  4 GLU HG2  H  1  2.291 0.01 . 2 . . . . 20 GLU HG2  . 7282 1 
       24 . 1 1  4  4 GLU HG3  H  1  2.218 0.01 . 2 . . . . 20 GLU HG3  . 7282 1 
       25 . 1 1  4  4 GLU CA   C 13 57.731 0.1  . 1 . . . . 20 GLU CA   . 7282 1 
       26 . 1 1  4  4 GLU CB   C 13 32.631 0.1  . 1 . . . . 20 GLU CB   . 7282 1 
       27 . 1 1  4  4 GLU CG   C 13 33.398 0.1  . 1 . . . . 20 GLU CG   . 7282 1 
       28 . 1 1  5  5 ALA H    H  1  8.160 0.01 . 1 . . . . 21 ALA H    . 7282 1 
       29 . 1 1  5  5 ALA HA   H  1  4.105 0.01 . 1 . . . . 21 ALA HA   . 7282 1 
       30 . 1 1  5  5 ALA HB1  H  1  1.434 0.01 . 1 . . . . 21 ALA HB   . 7282 1 
       31 . 1 1  5  5 ALA HB2  H  1  1.434 0.01 . 1 . . . . 21 ALA HB   . 7282 1 
       32 . 1 1  5  5 ALA HB3  H  1  1.434 0.01 . 1 . . . . 21 ALA HB   . 7282 1 
       33 . 1 1  5  5 ALA CA   C 13 54.420 0.1  . 1 . . . . 21 ALA CA   . 7282 1 
       34 . 1 1  6  6 TYR H    H  1  8.186 0.01 . 1 . . . . 22 TYR H    . 7282 1 
       35 . 1 1  6  6 TYR HA   H  1  4.198 0.01 . 1 . . . . 22 TYR HA   . 7282 1 
       36 . 1 1  6  6 TYR HB2  H  1  3.101 0.01 . 2 . . . . 22 TYR HB2  . 7282 1 
       37 . 1 1  6  6 TYR HB3  H  1  3.068 0.01 . 2 . . . . 22 TYR HB3  . 7282 1 
       38 . 1 1  6  6 TYR HD1  H  1  7.097 0.01 . 1 . . . . 22 TYR HD1  . 7282 1 
       39 . 1 1  6  6 TYR HD2  H  1  7.097 0.01 . 1 . . . . 22 TYR HD2  . 7282 1 
       40 . 1 1  6  6 TYR HE1  H  1  6.756 0.01 . 1 . . . . 22 TYR HE1  . 7282 1 
       41 . 1 1  6  6 TYR HE2  H  1  6.756 0.01 . 1 . . . . 22 TYR HE2  . 7282 1 
       42 . 1 1  6  6 TYR CA   C 13 60.493 0.1  . 1 . . . . 22 TYR CA   . 7282 1 
       43 . 1 1  6  6 TYR CB   C 13 38.317 0.1  . 1 . . . . 22 TYR CB   . 7282 1 
       44 . 1 1  7  7 ALA H    H  1  7.995 0.01 . 1 . . . . 23 ALA H    . 7282 1 
       45 . 1 1  7  7 ALA HA   H  1  3.964 0.01 . 1 . . . . 23 ALA HA   . 7282 1 
       46 . 1 1  7  7 ALA HB1  H  1  1.457 0.01 . 1 . . . . 23 ALA HB   . 7282 1 
       47 . 1 1  7  7 ALA HB2  H  1  1.457 0.01 . 1 . . . . 23 ALA HB   . 7282 1 
       48 . 1 1  7  7 ALA HB3  H  1  1.457 0.01 . 1 . . . . 23 ALA HB   . 7282 1 
       49 . 1 1  7  7 ALA CA   C 13 54.428 0.1  . 1 . . . . 23 ALA CA   . 7282 1 
       50 . 1 1  8  8 LYS H    H  1  7.979 0.01 . 1 . . . . 24 LYS H    . 7282 1 
       51 . 1 1  8  8 LYS HA   H  1  4.076 0.01 . 1 . . . . 24 LYS HA   . 7282 1 
       52 . 1 1  8  8 LYS HB2  H  1  1.833 0.01 . 2 . . . . 24 LYS HB2  . 7282 1 
       53 . 1 1  8  8 LYS HB3  H  1  1.622 0.01 . 2 . . . . 24 LYS HB3  . 7282 1 
       54 . 1 1  8  8 LYS HG2  H  1  1.341 0.01 . 1 . . . . 24 LYS HG2  . 7282 1 
       55 . 1 1  8  8 LYS HG3  H  1  1.341 0.01 . 1 . . . . 24 LYS HG3  . 7282 1 
       56 . 1 1  8  8 LYS HD2  H  1  1.495 0.01 . 1 . . . . 24 LYS HD2  . 7282 1 
       57 . 1 1  8  8 LYS HD3  H  1  1.495 0.01 . 1 . . . . 24 LYS HD3  . 7282 1 
       58 . 1 1  8  8 LYS HE2  H  1  2.915 0.01 . 1 . . . . 24 LYS HE2  . 7282 1 
       59 . 1 1  8  8 LYS HE3  H  1  2.915 0.01 . 1 . . . . 24 LYS HE3  . 7282 1 
       60 . 1 1  8  8 LYS CA   C 13 58.513 0.1  . 1 . . . . 24 LYS CA   . 7282 1 
       61 . 1 1  8  8 LYS CB   C 13 37.346 0.1  . 1 . . . . 24 LYS CB   . 7282 1 
       62 . 1 1  8  8 LYS CE   C 13 42.074 0.1  . 1 . . . . 24 LYS CE   . 7282 1 
       63 . 1 1  9  9 ARG H    H  1  7.842 0.01 . 1 . . . . 25 ARG H    . 7282 1 
       64 . 1 1  9  9 ARG HA   H  1  4.088 0.01 . 1 . . . . 25 ARG HA   . 7282 1 
       65 . 1 1  9  9 ARG HB2  H  1  1.859 0.01 . 2 . . . . 25 ARG HB2  . 7282 1 
       66 . 1 1  9  9 ARG HB3  H  1  1.824 0.01 . 2 . . . . 25 ARG HB3  . 7282 1 
       67 . 1 1  9  9 ARG HG2  H  1  1.689 0.01 . 2 . . . . 25 ARG HG2  . 7282 1 
       68 . 1 1  9  9 ARG HG3  H  1  1.557 0.01 . 2 . . . . 25 ARG HG3  . 7282 1 
       69 . 1 1  9  9 ARG HD2  H  1  3.147 0.01 . 1 . . . . 25 ARG HD2  . 7282 1 
       70 . 1 1  9  9 ARG HD3  H  1  3.147 0.01 . 1 . . . . 25 ARG HD3  . 7282 1 
       71 . 1 1  9  9 ARG HE   H  1  7.304 0.01 . 1 . . . . 25 ARG HE   . 7282 1 
       72 . 1 1  9  9 ARG CA   C 13 58.688 0.1  . 1 . . . . 25 ARG CA   . 7282 1 
       73 . 1 1  9  9 ARG CB   C 13 33.398 0.1  . 1 . . . . 25 ARG CB   . 7282 1 
       74 . 1 1  9  9 ARG CD   C 13 43.568 0.1  . 1 . . . . 25 ARG CD   . 7282 1 
       75 . 1 1 10 10 ILE H    H  1  7.969 0.01 . 1 . . . . 26 ILE H    . 7282 1 
       76 . 1 1 10 10 ILE HA   H  1  3.789 0.01 . 1 . . . . 26 ILE HA   . 7282 1 
       77 . 1 1 10 10 ILE HB   H  1  1.793 0.01 . 1 . . . . 26 ILE HB   . 7282 1 
       78 . 1 1 10 10 ILE HG12 H  1  1.183 0.01 . 2 . . . . 26 ILE HG12 . 7282 1 
       79 . 1 1 10 10 ILE HG13 H  1  1.019 0.01 . 2 . . . . 26 ILE HG13 . 7282 1 
       80 . 1 1 10 10 ILE HG21 H  1  0.777 0.01 . 1 . . . . 26 ILE HG2  . 7282 1 
       81 . 1 1 10 10 ILE HG22 H  1  0.777 0.01 . 1 . . . . 26 ILE HG2  . 7282 1 
       82 . 1 1 10 10 ILE HG23 H  1  0.777 0.01 . 1 . . . . 26 ILE HG2  . 7282 1 
       83 . 1 1 10 10 ILE HD11 H  1  0.598 0.01 . 1 . . . . 26 ILE HD1  . 7282 1 
       84 . 1 1 10 10 ILE HD12 H  1  0.598 0.01 . 1 . . . . 26 ILE HD1  . 7282 1 
       85 . 1 1 10 10 ILE HD13 H  1  0.598 0.01 . 1 . . . . 26 ILE HD1  . 7282 1 
       86 . 1 1 10 10 ILE CA   C 13 62.620 0.1  . 1 . . . . 26 ILE CA   . 7282 1 
       87 . 1 1 10 10 ILE CB   C 13 30.165 0.1  . 1 . . . . 26 ILE CB   . 7282 1 
       88 . 1 1 10 10 ILE CD1  C 13 11.753 0.1  . 1 . . . . 26 ILE CD1  . 7282 1 
       89 . 1 1 11 11 ALA H    H  1  7.955 0.01 . 1 . . . . 27 ALA H    . 7282 1 
       90 . 1 1 11 11 ALA HA   H  1  4.104 0.01 . 1 . . . . 27 ALA HA   . 7282 1 
       91 . 1 1 11 11 ALA HB1  H  1  1.428 0.01 . 1 . . . . 27 ALA HB   . 7282 1 
       92 . 1 1 11 11 ALA HB2  H  1  1.428 0.01 . 1 . . . . 27 ALA HB   . 7282 1 
       93 . 1 1 11 11 ALA HB3  H  1  1.428 0.01 . 1 . . . . 27 ALA HB   . 7282 1 
       94 . 1 1 11 11 ALA CA   C 13 54.287 0.1  . 1 . . . . 27 ALA CA   . 7282 1 
       95 . 1 1 12 12 GLU H    H  1  8.283 0.01 . 1 . . . . 28 GLU H    . 7282 1 
       96 . 1 1 12 12 GLU HA   H  1  4.029 0.01 . 1 . . . . 28 GLU HA   . 7282 1 
       97 . 1 1 12 12 GLU HB2  H  1  2.040 0.01 . 2 . . . . 28 GLU HB2  . 7282 1 
       98 . 1 1 12 12 GLU HB3  H  1  1.978 0.01 . 2 . . . . 28 GLU HB3  . 7282 1 
       99 . 1 1 12 12 GLU HG2  H  1  2.412 0.01 . 2 . . . . 28 GLU HG2  . 7282 1 
      100 . 1 1 12 12 GLU HG3  H  1  2.207 0.01 . 2 . . . . 28 GLU HG3  . 7282 1 
      101 . 1 1 12 12 GLU CA   C 13 57.405 0.1  . 1 . . . . 28 GLU CA   . 7282 1 
      102 . 1 1 12 12 GLU CB   C 13 32.746 0.1  . 1 . . . . 28 GLU CB   . 7282 1 
      103 . 1 1 12 12 GLU CG   C 13 33.513 0.1  . 1 . . . . 28 GLU CG   . 7282 1 
      104 . 1 1 13 13 ALA H    H  1  7.862 0.01 . 1 . . . . 29 ALA H    . 7282 1 
      105 . 1 1 13 13 ALA HA   H  1  4.160 0.01 . 1 . . . . 29 ALA HA   . 7282 1 
      106 . 1 1 13 13 ALA HB1  H  1  1.423 0.01 . 1 . . . . 29 ALA HB   . 7282 1 
      107 . 1 1 13 13 ALA HB2  H  1  1.423 0.01 . 1 . . . . 29 ALA HB   . 7282 1 
      108 . 1 1 13 13 ALA HB3  H  1  1.423 0.01 . 1 . . . . 29 ALA HB   . 7282 1 
      109 . 1 1 13 13 ALA C    C 13 60.660 0.1  . 1 . . . . 29 ALA C    . 7282 1 
      110 . 1 1 13 13 ALA CA   C 13 53.651 0.1  . 1 . . . . 29 ALA CA   . 7282 1 
      111 . 1 1 14 14 MET H    H  1  8.040 0.01 . 1 . . . . 30 MET H    . 7282 1 
      112 . 1 1 14 14 MET HA   H  1  4.266 0.01 . 1 . . . . 30 MET HA   . 7282 1 
      113 . 1 1 14 14 MET HB2  H  1  2.070 0.01 . 1 . . . . 30 MET HB2  . 7282 1 
      114 . 1 1 14 14 MET HB3  H  1  2.070 0.01 . 1 . . . . 30 MET HB3  . 7282 1 
      115 . 1 1 14 14 MET HG2  H  1  2.650 0.01 . 2 . . . . 30 MET HG2  . 7282 1 
      116 . 1 1 14 14 MET HG3  H  1  2.560 0.01 . 2 . . . . 30 MET HG3  . 7282 1 
      117 . 1 1 14 14 MET CA   C 13 56.234 0.1  . 1 . . . . 30 MET CA   . 7282 1 
      118 . 1 1 14 14 MET CB   C 13 28.363 0.1  . 1 . . . . 30 MET CB   . 7282 1 
      119 . 1 1 14 14 MET CG   C 13 31.961 0.1  . 1 . . . . 30 MET CG   . 7282 1 
      120 . 1 1 15 15 ALA H    H  1  7.902 0.01 . 1 . . . . 31 ALA H    . 7282 1 
      121 . 1 1 15 15 ALA HA   H  1  4.202 0.01 . 1 . . . . 31 ALA HA   . 7282 1 
      122 . 1 1 15 15 ALA HB1  H  1  1.402 0.01 . 1 . . . . 31 ALA HB   . 7282 1 
      123 . 1 1 15 15 ALA HB2  H  1  1.402 0.01 . 1 . . . . 31 ALA HB   . 7282 1 
      124 . 1 1 15 15 ALA HB3  H  1  1.402 0.01 . 1 . . . . 31 ALA HB   . 7282 1 
      125 . 1 1 15 15 ALA CA   C 13 53.047 0.1  . 1 . . . . 31 ALA CA   . 7282 1 
      126 . 1 1 16 16 LYS H    H  1  8.020 0.01 . 1 . . . . 32 LYS H    . 7282 1 
      127 . 1 1 16 16 LYS HA   H  1  4.208 0.01 . 1 . . . . 32 LYS HA   . 7282 1 
      128 . 1 1 16 16 LYS HB2  H  1  1.859 0.01 . 2 . . . . 32 LYS HB2  . 7282 1 
      129 . 1 1 16 16 LYS HB3  H  1  1.786 0.01 . 2 . . . . 32 LYS HB3  . 7282 1 
      130 . 1 1 16 16 LYS HG2  H  1  1.490 0.01 . 2 . . . . 32 LYS HG2  . 7282 1 
      131 . 1 1 16 16 LYS HG3  H  1  1.419 0.01 . 2 . . . . 32 LYS HG3  . 7282 1 
      132 . 1 1 16 16 LYS HD2  H  1  1.630 0.01 . 1 . . . . 32 LYS HD2  . 7282 1 
      133 . 1 1 16 16 LYS HD3  H  1  1.630 0.01 . 1 . . . . 32 LYS HD3  . 7282 1 
      134 . 1 1 16 16 LYS CA   C 13 56.759 0.1  . 1 . . . . 32 LYS CA   . 7282 1 
      135 . 1 1 16 16 LYS CB   C 13 32.593 0.1  . 1 . . . . 32 LYS CB   . 7282 1 
      136 . 1 1 16 16 LYS CE   C 13 41.920 0.1  . 1 . . . . 32 LYS CE   . 7282 1 
      137 . 1 1 17 17 GLY H    H  1  8.205 0.01 . 1 . . . . 33 GLY H    . 7282 1 
      138 . 1 1 17 17 GLY HA2  H  1  3.873 0.01 . 1 . . . . 33 GLY HA2  . 7282 1 
      139 . 1 1 17 17 GLY HA3  H  1  3.873 0.01 . 1 . . . . 33 GLY HA3  . 7282 1 
      140 . 1 1 17 17 GLY CA   C 13 44.948 0.1  . 1 . . . . 33 GLY CA   . 7282 1 

   stop_

save_