Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 189
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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_one . 189 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 33 33 MET H H 1 9.56 . . 1 . . . . . . . . 189 1
2 . 1 1 33 33 MET N N 15 122 . . 1 . . . . . . . . 189 1
3 . 1 1 39 39 MET H H 1 9.57 . . 1 . . . . . . . . 189 1
4 . 1 1 39 39 MET N N 15 125.8 . . 1 . . . . . . . . 189 1
5 . 1 1 41 41 PHE H H 1 9.74 . . 1 . . . . . . . . 189 1
6 . 1 1 41 41 PHE N N 15 125.8 . . 1 . . . . . . . . 189 1
7 . 1 1 46 46 VAL H H 1 6.99 . . 1 . . . . . . . . 189 1
8 . 1 1 46 46 VAL N N 15 103.8 . . 1 . . . . . . . . 189 1
9 . 1 1 66 66 SER H H 1 8.32 . . 1 . . . . . . . . 189 1
10 . 1 1 66 66 SER N N 15 111.7 . . 1 . . . . . . . . 189 1
11 . 1 1 68 68 PHE H H 1 8.11 . . 1 . . . . . . . . 189 1
12 . 1 1 68 68 PHE N N 15 121.3 . . 1 . . . . . . . . 189 1
13 . 1 1 72 72 MET H H 1 7.67 . . 1 . . . . . . . . 189 1
14 . 1 1 72 72 MET N N 15 116.2 . . 1 . . . . . . . . 189 1
15 . 1 1 73 73 VAL H H 1 8.28 . . 1 . . . . . . . . 189 1
16 . 1 1 73 73 VAL N N 15 107.8 . . 1 . . . . . . . . 189 1
17 . 1 1 74 74 GLU H H 1 8.78 . . 1 . . . . . . . . 189 1
18 . 1 1 74 74 GLU N N 15 121.1 . . 1 . . . . . . . . 189 1
19 . 1 1 83 83 PHE H H 1 8.85 . . 1 . . . . . . . . 189 1
20 . 1 1 83 83 PHE N N 15 126.6 . . 1 . . . . . . . . 189 1
21 . 1 1 105 105 MET H H 1 9.23 . . 1 . . . . . . . . 189 1
22 . 1 1 105 105 MET N N 15 126.6 . . 1 . . . . . . . . 189 1
23 . 1 1 106 106 VAL H H 1 10.18 . . 1 . . . . . . . . 189 1
24 . 1 1 106 106 VAL N N 15 136.1 . . 1 . . . . . . . . 189 1
25 . 1 1 108 108 GLU H H 1 6.19 . . 1 . . . . . . . . 189 1
26 . 1 1 108 108 GLU N N 15 112.7 . . 1 . . . . . . . . 189 1
27 . 1 1 110 110 LEU H H 1 7.95 . . 1 . . . . . . . . 189 1
28 . 1 1 110 110 LEU N N 15 115.5 . . 1 . . . . . . . . 189 1
29 . 1 1 111 111 VAL H H 1 6.89 . . 1 . . . . . . . . 189 1
30 . 1 1 111 111 VAL N N 15 117 . . 1 . . . . . . . . 189 1
31 . 1 1 113 113 GLN H H 1 7.1 . . 1 . . . . . . . . 189 1
32 . 1 1 113 113 GLN N N 15 112.1 . . 1 . . . . . . . . 189 1
33 . 1 1 115 115 LEU H H 1 7.8 . . 1 . . . . . . . . 189 1
34 . 1 1 115 115 LEU N N 15 115.3 . . 1 . . . . . . . . 189 1
35 . 1 1 128 128 HIS H H 1 6.82 . . 1 . . . . . . . . 189 1
36 . 1 1 128 128 HIS N N 15 113.3 . . 1 . . . . . . . . 189 1
37 . 1 1 132 132 LEU H H 1 8.07 . . 1 . . . . . . . . 189 1
38 . 1 1 132 132 LEU N N 15 118.1 . . 1 . . . . . . . . 189 1
39 . 1 1 135 135 SER H H 1 7.58 . . 1 . . . . . . . . 189 1
40 . 1 1 135 135 SER N N 15 117.9 . . 1 . . . . . . . . 189 1
41 . 1 1 136 136 GLU H H 1 8.45 . . 1 . . . . . . . . 189 1
42 . 1 1 136 136 GLU N N 15 125 . . 1 . . . . . . . . 189 1
43 . 1 1 138 138 GLN H H 1 7.43 . . 1 . . . . . . . . 189 1
44 . 1 1 138 138 GLN N N 15 118.2 . . 1 . . . . . . . . 189 1
45 . 1 1 142 142 GLU H H 1 7.63 . . 1 . . . . . . . . 189 1
46 . 1 1 142 142 GLU N N 15 116.5 . . 1 . . . . . . . . 189 1
47 . 1 1 144 144 LEU H H 1 7.58 . . 1 . . . . . . . . 189 1
48 . 1 1 144 144 LEU N N 15 117 . . 1 . . . . . . . . 189 1
49 . 1 1 148 148 SER H H 1 8.09 . . 1 . . . . . . . . 189 1
50 . 1 1 148 148 SER N N 15 116.1 . . 1 . . . . . . . . 189 1
stop_
save_