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 2463
_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 . 2463 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 16 16 HIS CD2 C 13 119.1 . . 1 . . . . . . . . 2463 1
2 . 1 1 16 16 HIS CE1 C 13 135.7 . . 1 . . . . . . . . 2463 1
3 . 1 1 16 16 HIS HD2 H 1 6.94 . . 1 . . . . . . . . 2463 1
4 . 1 1 16 16 HIS HE1 H 1 8.16 . . 1 . . . . . . . . 2463 1
5 . 1 1 35 35 TYR CD1 C 13 130.8 . . 1 . . . . . . . . 2463 1
6 . 1 1 35 35 TYR CD2 C 13 130.8 . . 1 . . . . . . . . 2463 1
7 . 1 1 35 35 TYR CE1 C 13 116.2 . . 1 . . . . . . . . 2463 1
8 . 1 1 35 35 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 2463 1
9 . 1 1 35 35 TYR CE2 C 13 116.2 . . 1 . . . . . . . . 2463 1
10 . 1 1 35 35 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 2463 1
11 . 1 1 35 35 TYR HE1 H 1 6.31 . . 1 . . . . . . . . 2463 1
12 . 1 1 35 35 TYR HE2 H 1 6.31 . . 1 . . . . . . . . 2463 1
13 . 1 1 75 75 TYR CD1 C 13 131.5 . . 1 . . . . . . . . 2463 1
14 . 1 1 75 75 TYR CD2 C 13 131.5 . . 1 . . . . . . . . 2463 1
15 . 1 1 75 75 TYR CE1 C 13 116.9 . . 1 . . . . . . . . 2463 1
16 . 1 1 75 75 TYR HD1 H 1 7.3 . . 1 . . . . . . . . 2463 1
17 . 1 1 75 75 TYR CE2 C 13 116.9 . . 1 . . . . . . . . 2463 1
18 . 1 1 75 75 TYR HD2 H 1 7.3 . . 1 . . . . . . . . 2463 1
19 . 1 1 75 75 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 2463 1
20 . 1 1 75 75 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 2463 1
21 . 1 1 82 82 TYR CD1 C 13 131.6 . . 1 . . . . . . . . 2463 1
22 . 1 1 82 82 TYR CD2 C 13 131.6 . . 1 . . . . . . . . 2463 1
23 . 1 1 82 82 TYR CE1 C 13 116.7 . . 1 . . . . . . . . 2463 1
24 . 1 1 82 82 TYR HD1 H 1 7.11 . . 1 . . . . . . . . 2463 1
25 . 1 1 82 82 TYR CE2 C 13 116.7 . . 1 . . . . . . . . 2463 1
26 . 1 1 82 82 TYR HD2 H 1 7.11 . . 1 . . . . . . . . 2463 1
27 . 1 1 82 82 TYR HE1 H 1 6.41 . . 1 . . . . . . . . 2463 1
28 . 1 1 82 82 TYR HE2 H 1 6.41 . . 1 . . . . . . . . 2463 1
29 . 1 1 92 92 HIS CD2 C 13 116.6 . . 1 . . . . . . . . 2463 1
30 . 1 1 92 92 HIS CE1 C 13 136.5 . . 1 . . . . . . . . 2463 1
31 . 1 1 92 92 HIS HD2 H 1 7.17 . . 1 . . . . . . . . 2463 1
32 . 1 1 92 92 HIS HE1 H 1 7.8 . . 1 . . . . . . . . 2463 1
33 . 1 1 98 98 TYR CD1 C 13 132.2 . . 1 . . . . . . . . 2463 1
34 . 1 1 98 98 TYR CD2 C 13 132.2 . . 1 . . . . . . . . 2463 1
35 . 1 1 98 98 TYR CE1 C 13 116.3 . . 1 . . . . . . . . 2463 1
36 . 1 1 98 98 TYR HD1 H 1 7.11 . . 1 . . . . . . . . 2463 1
37 . 1 1 98 98 TYR CE2 C 13 116.3 . . 1 . . . . . . . . 2463 1
38 . 1 1 98 98 TYR HD2 H 1 7.11 . . 1 . . . . . . . . 2463 1
39 . 1 1 98 98 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 2463 1
40 . 1 1 98 98 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 2463 1
stop_
save_