Content for NMR-STAR saveframe, "chem_shift_list_2"

    save_chem_shift_list_2
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chem_shift_list_2
   _Assigned_chem_shift_list.Entry_ID                      6886
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      2
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_2
   _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 6886 2 

   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  3  3 ALA HA   H 1 3.915 0.02 . 1 . . . .  3 ALA HA  . 6886 2 
        2 . 1 1  3  3 ALA HB1  H 1 1.460 0.02 . 1 . . . .  3 ALA HB  . 6886 2 
        3 . 1 1  3  3 ALA HB2  H 1 1.460 0.02 . 1 . . . .  3 ALA HB  . 6886 2 
        4 . 1 1  3  3 ALA HB3  H 1 1.460 0.02 . 1 . . . .  3 ALA HB  . 6886 2 
        5 . 1 1  4  4 LEU H    H 1 8.204 0.02 . 1 . . . .  4 LEU H   . 6886 2 
        6 . 1 1  4  4 LEU HA   H 1 4.055 0.02 . 1 . . . .  4 LEU HA  . 6886 2 
        7 . 1 1  4  4 LEU HB2  H 1 1.817 0.03 . 2 . . . .  4 LEU HB2 . 6886 2 
        8 . 1 1  4  4 LEU HG   H 1 1.744 0.04 . 4 . . . .  4 LEU HG  . 6886 2 
        9 . 1 1  4  4 LEU HD21 H 1 0.848 0.03 . 2 . . . .  4 LEU HD2 . 6886 2 
       10 . 1 1  4  4 LEU HD22 H 1 0.848 0.03 . 2 . . . .  4 LEU HD2 . 6886 2 
       11 . 1 1  4  4 LEU HD23 H 1 0.848 0.03 . 2 . . . .  4 LEU HD2 . 6886 2 
       12 . 1 1  5  5 LEU H    H 1 7.890 0.02 . 1 . . . .  5 LEU H   . 6886 2 
       13 . 1 1  5  5 LEU HA   H 1 3.908 0.02 . 1 . . . .  5 LEU HA  . 6886 2 
       14 . 1 1  5  5 LEU HB2  H 1 1.809 0.02 . 1 . . . .  5 LEU HB2 . 6886 2 
       15 . 1 1  5  5 LEU HB3  H 1 1.696 0.02 . 1 . . . .  5 LEU HB3 . 6886 2 
       16 . 1 1  5  5 LEU HG   H 1 1.592 0.02 . 1 . . . .  5 LEU HG  . 6886 2 
       17 . 1 1  5  5 LEU HD11 H 1 0.887 0.02 . 1 . . . .  5 LEU HD1 . 6886 2 
       18 . 1 1  5  5 LEU HD12 H 1 0.887 0.02 . 1 . . . .  5 LEU HD1 . 6886 2 
       19 . 1 1  5  5 LEU HD13 H 1 0.887 0.02 . 1 . . . .  5 LEU HD1 . 6886 2 
       20 . 1 1  5  5 LEU HD21 H 1 0.832 0.02 . 1 . . . .  5 LEU HD2 . 6886 2 
       21 . 1 1  5  5 LEU HD22 H 1 0.832 0.02 . 1 . . . .  5 LEU HD2 . 6886 2 
       22 . 1 1  5  5 LEU HD23 H 1 0.832 0.02 . 1 . . . .  5 LEU HD2 . 6886 2 
       23 . 1 1  6  6 ALA H    H 1 7.828 0.02 . 1 . . . .  6 ALA H   . 6886 2 
       24 . 1 1  6  6 ALA HA   H 1 3.984 0.02 . 1 . . . .  6 ALA HA  . 6886 2 
       25 . 1 1  6  6 ALA HB1  H 1 1.466 0.02 . 1 . . . .  6 ALA HB  . 6886 2 
       26 . 1 1  6  6 ALA HB2  H 1 1.466 0.02 . 1 . . . .  6 ALA HB  . 6886 2 
       27 . 1 1  6  6 ALA HB3  H 1 1.466 0.02 . 1 . . . .  6 ALA HB  . 6886 2 
       28 . 1 1  7  7 LEU H    H 1 7.776 0.02 . 1 . . . .  7 LEU H   . 6886 2 
       29 . 1 1  7  7 LEU HA   H 1 4.130 0.02 . 1 . . . .  7 LEU HA  . 6886 2 
       30 . 1 1  7  7 LEU HB2  H 1 1.799 0.02 . 1 . . . .  7 LEU HB2 . 6886 2 
       31 . 1 1  7  7 LEU HB3  H 1 1.708 0.02 . 1 . . . .  7 LEU HB3 . 6886 2 
       32 . 1 1  7  7 LEU HG   H 1 1.578 0.02 . 1 . . . .  7 LEU HG  . 6886 2 
       33 . 1 1  7  7 LEU HD11 H 1 0.946 0.03 . 2 . . . .  7 LEU HD1 . 6886 2 
       34 . 1 1  7  7 LEU HD12 H 1 0.946 0.03 . 2 . . . .  7 LEU HD1 . 6886 2 
       35 . 1 1  7  7 LEU HD13 H 1 0.946 0.03 . 2 . . . .  7 LEU HD1 . 6886 2 
       36 . 1 1  7  7 LEU HD21 H 1 0.911 0.03 . 2 . . . .  7 LEU HD2 . 6886 2 
       37 . 1 1  7  7 LEU HD22 H 1 0.911 0.03 . 2 . . . .  7 LEU HD2 . 6886 2 
       38 . 1 1  7  7 LEU HD23 H 1 0.911 0.03 . 2 . . . .  7 LEU HD2 . 6886 2 
       39 . 1 1  8  8 ALA H    H 1 8.431 0.02 . 1 . . . .  8 ALA H   . 6886 2 
       40 . 1 1  8  8 ALA HA   H 1 4.051 0.02 . 1 . . . .  8 ALA HA  . 6886 2 
       41 . 1 1  8  8 ALA HB1  H 1 1.475 0.02 . 1 . . . .  8 ALA HB  . 6886 2 
       42 . 1 1  8  8 ALA HB2  H 1 1.475 0.02 . 1 . . . .  8 ALA HB  . 6886 2 
       43 . 1 1  8  8 ALA HB3  H 1 1.475 0.02 . 1 . . . .  8 ALA HB  . 6886 2 
       44 . 1 1  9  9 LEU H    H 1 8.484 0.02 . 1 . . . .  9 LEU H   . 6886 2 
       45 . 1 1  9  9 LEU HA   H 1 3.987 0.02 . 1 . . . .  9 LEU HA  . 6886 2 
       46 . 1 1  9  9 LEU HB2  H 1 1.862 0.02 . 1 . . . .  9 LEU HB2 . 6886 2 
       47 . 1 1  9  9 LEU HB3  H 1 1.672 0.02 . 1 . . . .  9 LEU HB3 . 6886 2 
       48 . 1 1  9  9 LEU HG   H 1 1.557 0.02 . 1 . . . .  9 LEU HG  . 6886 2 
       49 . 1 1  9  9 LEU HD21 H 1 0.857 0.03 . 2 . . . .  9 LEU HD2 . 6886 2 
       50 . 1 1  9  9 LEU HD22 H 1 0.857 0.03 . 2 . . . .  9 LEU HD2 . 6886 2 
       51 . 1 1  9  9 LEU HD23 H 1 0.857 0.03 . 2 . . . .  9 LEU HD2 . 6886 2 
       52 . 1 1 10 10 HIS H    H 1 8.109 0.02 . 1 . . . . 10 HIS H   . 6886 2 
       53 . 1 1 10 10 HIS HA   H 1 4.181 0.02 . 1 . . . . 10 HIS HA  . 6886 2 
       54 . 1 1 10 10 HIS HB2  H 1 3.268 0.02 . 1 . . . . 10 HIS HB2 . 6886 2 
       55 . 1 1 10 10 HIS HB3  H 1 3.163 0.02 . 1 . . . . 10 HIS HB3 . 6886 2 
       56 . 1 1 10 10 HIS HD2  H 1 6.236 0.02 . 1 . . . . 10 HIS HD2 . 6886 2 
       57 . 1 1 11 11 HIS H    H 1 8.028 0.02 . 1 . . . . 11 HIS H   . 6886 2 
       58 . 1 1 11 11 HIS HA   H 1 4.386 0.02 . 1 . . . . 11 HIS HA  . 6886 2 
       59 . 1 1 11 11 HIS HB2  H 1 3.264 0.02 . 1 . . . . 11 HIS HB2 . 6886 2 
       60 . 1 1 11 11 HIS HB3  H 1 3.125 0.02 . 1 . . . . 11 HIS HB3 . 6886 2 
       61 . 1 1 11 11 HIS HD2  H 1 6.906 0.02 . 1 . . . . 11 HIS HD2 . 6886 2 
       62 . 1 1 12 12 LEU H    H 1 8.639 0.02 . 1 . . . . 12 LEU H   . 6886 2 
       63 . 1 1 12 12 LEU HA   H 1 4.084 0.02 . 1 . . . . 12 LEU HA  . 6886 2 
       64 . 1 1 12 12 LEU HB2  H 1 1.854 0.02 . 1 . . . . 12 LEU HB2 . 6886 2 
       65 . 1 1 12 12 LEU HB3  H 1 1.803 0.02 . 1 . . . . 12 LEU HB3 . 6886 2 
       66 . 1 1 12 12 LEU HG   H 1 1.629 0.02 . 1 . . . . 12 LEU HG  . 6886 2 
       67 . 1 1 12 12 LEU HD21 H 1 0.839 0.03 . 2 . . . . 12 LEU HD2 . 6886 2 
       68 . 1 1 12 12 LEU HD22 H 1 0.839 0.03 . 2 . . . . 12 LEU HD2 . 6886 2 
       69 . 1 1 12 12 LEU HD23 H 1 0.839 0.03 . 2 . . . . 12 LEU HD2 . 6886 2 
       70 . 1 1 13 13 ALA H    H 1 8.343 0.02 . 1 . . . . 13 ALA H   . 6886 2 
       71 . 1 1 13 13 ALA HA   H 1 3.901 0.02 . 1 . . . . 13 ALA HA  . 6886 2 
       72 . 1 1 13 13 ALA HB1  H 1 1.437 0.02 . 1 . . . . 13 ALA HB  . 6886 2 
       73 . 1 1 13 13 ALA HB2  H 1 1.437 0.02 . 1 . . . . 13 ALA HB  . 6886 2 
       74 . 1 1 13 13 ALA HB3  H 1 1.437 0.02 . 1 . . . . 13 ALA HB  . 6886 2 
       75 . 1 1 14 14 HIS H    H 1 7.685 0.02 . 1 . . . . 14 HIS H   . 6886 2 
       76 . 1 1 14 14 HIS HA   H 1 4.219 0.02 . 1 . . . . 14 HIS HA  . 6886 2 
       77 . 1 1 14 14 HIS HB2  H 1 3.182 0.02 . 1 . . . . 14 HIS HB2 . 6886 2 
       78 . 1 1 14 14 HIS HB3  H 1 3.111 0.02 . 1 . . . . 14 HIS HB3 . 6886 2 
       79 . 1 1 14 14 HIS HD2  H 1 6.769 0.02 . 1 . . . . 14 HIS HD2 . 6886 2 
       80 . 1 1 15 15 LEU H    H 1 8.160 0.02 . 1 . . . . 15 LEU H   . 6886 2 
       81 . 1 1 15 15 LEU HA   H 1 4.073 0.02 . 1 . . . . 15 LEU HA  . 6886 2 
       82 . 1 1 15 15 LEU HB2  H 1 1.812 0.02 . 1 . . . . 15 LEU HB2 . 6886 2 
       83 . 1 1 15 15 LEU HB3  H 1 1.703 0.02 . 1 . . . . 15 LEU HB3 . 6886 2 
       84 . 1 1 15 15 LEU HG   H 1 1.613 0.02 . 1 . . . . 15 LEU HG  . 6886 2 
       85 . 1 1 15 15 LEU HD11 H 1 0.903 0.02 . 1 . . . . 15 LEU HD1 . 6886 2 
       86 . 1 1 15 15 LEU HD12 H 1 0.903 0.02 . 1 . . . . 15 LEU HD1 . 6886 2 
       87 . 1 1 15 15 LEU HD13 H 1 0.903 0.02 . 1 . . . . 15 LEU HD1 . 6886 2 
       88 . 1 1 15 15 LEU HD21 H 1 0.851 0.02 . 1 . . . . 15 LEU HD2 . 6886 2 
       89 . 1 1 15 15 LEU HD22 H 1 0.851 0.02 . 1 . . . . 15 LEU HD2 . 6886 2 
       90 . 1 1 15 15 LEU HD23 H 1 0.851 0.02 . 1 . . . . 15 LEU HD2 . 6886 2 
       91 . 1 1 16 16 ALA H    H 1 8.545 0.02 . 1 . . . . 16 ALA H   . 6886 2 
       92 . 1 1 16 16 ALA HA   H 1 3.887 0.02 . 1 . . . . 16 ALA HA  . 6886 2 
       93 . 1 1 16 16 ALA HB1  H 1 1.420 0.02 . 1 . . . . 16 ALA HB  . 6886 2 
       94 . 1 1 16 16 ALA HB2  H 1 1.420 0.02 . 1 . . . . 16 ALA HB  . 6886 2 
       95 . 1 1 16 16 ALA HB3  H 1 1.420 0.02 . 1 . . . . 16 ALA HB  . 6886 2 
       96 . 1 1 17 17 LEU H    H 1 7.946 0.02 . 1 . . . . 17 LEU H   . 6886 2 
       97 . 1 1 17 17 LEU HA   H 1 4.215 0.05 . 9 . . . . 17 LEU HA  . 6886 2 
       98 . 1 1 17 17 LEU HB2  H 1 1.760 0.02 . 1 . . . . 17 LEU HB2 . 6886 2 
       99 . 1 1 17 17 LEU HB3  H 1 1.636 0.02 . 1 . . . . 17 LEU HB3 . 6886 2 
      100 . 1 1 17 17 LEU HG   H 1 1.544 0.02 . 1 . . . . 17 LEU HG  . 6886 2 
      101 . 1 1 17 17 LEU HD21 H 1 0.832 0.03 . 2 . . . . 17 LEU HD2 . 6886 2 
      102 . 1 1 17 17 LEU HD22 H 1 0.832 0.03 . 2 . . . . 17 LEU HD2 . 6886 2 
      103 . 1 1 17 17 LEU HD23 H 1 0.832 0.03 . 2 . . . . 17 LEU HD2 . 6886 2 
      104 . 1 1 18 18 HIS H    H 1 7.843 0.02 . 1 . . . . 18 HIS H   . 6886 2 
      105 . 1 1 18 18 HIS HA   H 1 4.200 0.02 . 1 . . . . 18 HIS HA  . 6886 2 
      106 . 1 1 18 18 HIS HB2  H 1 3.121 0.02 . 1 . . . . 18 HIS HB2 . 6886 2 
      107 . 1 1 18 18 HIS HB3  H 1 3.088 0.02 . 1 . . . . 18 HIS HB3 . 6886 2 
      108 . 1 1 18 18 HIS HD2  H 1 6.727 0.02 . 1 . . . . 18 HIS HD2 . 6886 2 
      109 . 1 1 19 19 LEU H    H 1 8.411 0.02 . 1 . . . . 19 LEU H   . 6886 2 
      110 . 1 1 19 19 LEU HA   H 1 3.903 0.02 . 1 . . . . 19 LEU HA  . 6886 2 
      111 . 1 1 19 19 LEU HB2  H 1 1.785 0.02 . 1 . . . . 19 LEU HB2 . 6886 2 
      112 . 1 1 19 19 LEU HB3  H 1 1.709 0.02 . 1 . . . . 19 LEU HB3 . 6886 2 
      113 . 1 1 19 19 LEU HG   H 1 1.678 0.02 . 1 . . . . 19 LEU HG  . 6886 2 
      114 . 1 1 19 19 LEU HD21 H 1 0.853 0.03 . 2 . . . . 19 LEU HD2 . 6886 2 
      115 . 1 1 19 19 LEU HD22 H 1 0.853 0.03 . 2 . . . . 19 LEU HD2 . 6886 2 
      116 . 1 1 19 19 LEU HD23 H 1 0.853 0.03 . 2 . . . . 19 LEU HD2 . 6886 2 
      117 . 1 1 20 20 ALA H    H 1 8.077 0.02 . 1 . . . . 20 ALA H   . 6886 2 
      118 . 1 1 20 20 ALA HA   H 1 4.211 0.02 . 1 . . . . 20 ALA HA  . 6886 2 
      119 . 1 1 20 20 ALA HB1  H 1 1.469 0.02 . 1 . . . . 20 ALA HB  . 6886 2 
      120 . 1 1 20 20 ALA HB2  H 1 1.469 0.02 . 1 . . . . 20 ALA HB  . 6886 2 
      121 . 1 1 20 20 ALA HB3  H 1 1.469 0.02 . 1 . . . . 20 ALA HB  . 6886 2 
      122 . 1 1 21 21 LEU H    H 1 8.225 0.02 . 1 . . . . 21 LEU H   . 6886 2 
      123 . 1 1 21 21 LEU HA   H 1 3.991 0.02 . 1 . . . . 21 LEU HA  . 6886 2 
      124 . 1 1 21 21 LEU HB2  H 1 1.816 0.02 . 1 . . . . 21 LEU HB2 . 6886 2 
      125 . 1 1 21 21 LEU HB3  H 1 1.696 0.02 . 1 . . . . 21 LEU HB3 . 6886 2 
      126 . 1 1 21 21 LEU HG   H 1 1.551 0.02 . 1 . . . . 21 LEU HG  . 6886 2 
      127 . 1 1 21 21 LEU HD11 H 1 0.890 0.02 . 1 . . . . 21 LEU HD1 . 6886 2 
      128 . 1 1 21 21 LEU HD12 H 1 0.890 0.02 . 1 . . . . 21 LEU HD1 . 6886 2 
      129 . 1 1 21 21 LEU HD13 H 1 0.890 0.02 . 1 . . . . 21 LEU HD1 . 6886 2 
      130 . 1 1 21 21 LEU HD21 H 1 0.858 0.02 . 1 . . . . 21 LEU HD2 . 6886 2 
      131 . 1 1 21 21 LEU HD22 H 1 0.858 0.02 . 1 . . . . 21 LEU HD2 . 6886 2 
      132 . 1 1 21 21 LEU HD23 H 1 0.858 0.02 . 1 . . . . 21 LEU HD2 . 6886 2 
      133 . 1 1 22 22 ALA H    H 1 7.808 0.02 . 1 . . . . 22 ALA H   . 6886 2 
      134 . 1 1 22 22 ALA HA   H 1 4.041 0.02 . 1 . . . . 22 ALA HA  . 6886 2 
      135 . 1 1 22 22 ALA HB1  H 1 1.465 0.02 . 1 . . . . 22 ALA HB  . 6886 2 
      136 . 1 1 22 22 ALA HB2  H 1 1.465 0.02 . 1 . . . . 22 ALA HB  . 6886 2 
      137 . 1 1 22 22 ALA HB3  H 1 1.465 0.02 . 1 . . . . 22 ALA HB  . 6886 2 
      138 . 1 1 23 23 LEU H    H 1 7.920 0.02 . 1 . . . . 23 LEU H   . 6886 2 
      139 . 1 1 23 23 LEU HA   H 1 3.986 0.02 . 1 . . . . 23 LEU HA  . 6886 2 
      140 . 1 1 23 23 LEU HB2  H 1 1.942 0.02 . 1 . . . . 23 LEU HB2 . 6886 2 
      141 . 1 1 23 23 LEU HB3  H 1 1.846 0.02 . 1 . . . . 23 LEU HB3 . 6886 2 
      142 . 1 1 23 23 LEU HG   H 1 1.698 0.02 . 1 . . . . 23 LEU HG  . 6886 2 
      143 . 1 1 23 23 LEU HD21 H 1 0.836 0.03 . 2 . . . . 23 LEU HD2 . 6886 2 
      144 . 1 1 23 23 LEU HD22 H 1 0.836 0.03 . 2 . . . . 23 LEU HD2 . 6886 2 
      145 . 1 1 23 23 LEU HD23 H 1 0.836 0.03 . 2 . . . . 23 LEU HD2 . 6886 2 
      146 . 1 1 24 24 LYS H    H 1 7.753 0.02 . 1 . . . . 24 LYS H   . 6886 2 
      147 . 1 1 24 24 LYS HA   H 1 4.098 0.05 . 9 . . . . 24 LYS HA  . 6886 2 
      148 . 1 1 24 24 LYS HB2  H 1 1.942 0.03 . 2 . . . . 24 LYS HB2 . 6886 2 
      149 . 1 1 24 24 LYS HG2  H 1 1.534 0.03 . 2 . . . . 24 LYS HG2 . 6886 2 
      150 . 1 1 24 24 LYS HD2  H 1 1.856 0.03 . 2 . . . . 24 LYS HD2 . 6886 2 
      151 . 1 1 24 24 LYS HE3  H 1 2.913 0.03 . 2 . . . . 24 LYS HE3 . 6886 2 
      152 . 1 1 25 25 LYS HA   H 1 4.089 0.05 . 9 . . . . 25 LYS HA  . 6886 2 
      153 . 1 1 26 26 ALA H    H 1 7.738 0.05 . 9 . . . . 26 ALA H   . 6886 2 
      154 . 1 1 26 26 ALA HA   H 1 4.111 0.05 . 9 . . . . 26 ALA HA  . 6886 2 
      155 . 1 1 26 26 ALA HB1  H 1 1.427 0.02 . 1 . . . . 26 ALA HB  . 6886 2 
      156 . 1 1 26 26 ALA HB2  H 1 1.427 0.02 . 1 . . . . 26 ALA HB  . 6886 2 
      157 . 1 1 26 26 ALA HB3  H 1 1.427 0.02 . 1 . . . . 26 ALA HB  . 6886 2 

   stop_

save_