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 674
_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 . 674 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 HIS HD2 H 1 7.04 . . 1 . . . . . . . . 674 1
2 . 1 1 1 1 HIS HE1 H 1 7.81 . . 1 . . . . . . . . 674 1
3 . 1 1 6 6 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 674 1
4 . 1 1 6 6 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 674 1
5 . 1 1 6 6 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 674 1
6 . 1 1 6 6 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 674 1
7 . 1 1 6 6 PHE HZ H 1 7.25 . . 1 . . . . . . . . 674 1
8 . 1 1 10 10 TYR HD1 H 1 7.19 . . 3 . . . . . . . . 674 1
9 . 1 1 10 10 TYR HD2 H 1 7.06 . . 3 . . . . . . . . 674 1
10 . 1 1 10 10 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 674 1
11 . 1 1 10 10 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 674 1
12 . 1 1 12 12 LYS HD2 H 1 1.5 . . 1 . . . . . . . . 674 1
13 . 1 1 12 12 LYS HD3 H 1 1.5 . . 1 . . . . . . . . 674 1
14 . 1 1 12 12 LYS HE2 H 1 2.8 . . 1 . . . . . . . . 674 1
15 . 1 1 12 12 LYS HE3 H 1 2.8 . . 1 . . . . . . . . 674 1
16 . 1 1 13 13 TYR HD1 H 1 7.19 . . 3 . . . . . . . . 674 1
17 . 1 1 13 13 TYR HD2 H 1 7.06 . . 3 . . . . . . . . 674 1
18 . 1 1 13 13 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 674 1
19 . 1 1 13 13 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 674 1
20 . 1 1 14 14 LEU HG H 1 1.8 . . 1 . . . . . . . . 674 1
21 . 1 1 14 14 LEU HD11 H 1 .96 . . 2 . . . . . . . . 674 1
22 . 1 1 14 14 LEU HD12 H 1 .96 . . 2 . . . . . . . . 674 1
23 . 1 1 14 14 LEU HD13 H 1 .96 . . 2 . . . . . . . . 674 1
24 . 1 1 14 14 LEU HD21 H 1 .88 . . 2 . . . . . . . . 674 1
25 . 1 1 14 14 LEU HD22 H 1 .88 . . 2 . . . . . . . . 674 1
26 . 1 1 14 14 LEU HD23 H 1 .88 . . 2 . . . . . . . . 674 1
27 . 1 1 19 19 ALA HA H 1 4.17 . . 1 . . . . . . . . 674 1
28 . 1 1 19 19 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 674 1
29 . 1 1 19 19 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 674 1
30 . 1 1 19 19 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 674 1
31 . 1 1 22 22 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 674 1
32 . 1 1 22 22 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 674 1
33 . 1 1 22 22 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 674 1
34 . 1 1 22 22 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 674 1
35 . 1 1 22 22 PHE HZ H 1 7.25 . . 1 . . . . . . . . 674 1
36 . 1 1 23 23 VAL HA H 1 3.5 . . 1 . . . . . . . . 674 1
37 . 1 1 23 23 VAL HB H 1 2.26 . . 1 . . . . . . . . 674 1
38 . 1 1 23 23 VAL HG11 H 1 1.21 . . 2 . . . . . . . . 674 1
39 . 1 1 23 23 VAL HG12 H 1 1.21 . . 2 . . . . . . . . 674 1
40 . 1 1 23 23 VAL HG13 H 1 1.21 . . 2 . . . . . . . . 674 1
41 . 1 1 23 23 VAL HG21 H 1 1.02 . . 2 . . . . . . . . 674 1
42 . 1 1 23 23 VAL HG22 H 1 1.02 . . 2 . . . . . . . . 674 1
43 . 1 1 23 23 VAL HG23 H 1 1.02 . . 2 . . . . . . . . 674 1
44 . 1 1 25 25 TRP HA H 1 4.31 . . 1 . . . . . . . . 674 1
45 . 1 1 25 25 TRP HB2 H 1 3.62 . . 2 . . . . . . . . 674 1
46 . 1 1 25 25 TRP HB3 H 1 3.32 . . 2 . . . . . . . . 674 1
47 . 1 1 25 25 TRP HD1 H 1 7.38 . . 1 . . . . . . . . 674 1
48 . 1 1 25 25 TRP HE3 H 1 7.34 . . 1 . . . . . . . . 674 1
49 . 1 1 25 25 TRP HZ2 H 1 7.56 . . 1 . . . . . . . . 674 1
50 . 1 1 25 25 TRP HZ3 H 1 6.91 . . 1 . . . . . . . . 674 1
51 . 1 1 25 25 TRP HH2 H 1 7.13 . . 1 . . . . . . . . 674 1
52 . 1 1 26 26 LEU HG H 1 1.58 . . 1 . . . . . . . . 674 1
53 . 1 1 26 26 LEU HD11 H 1 .72 . . 1 . . . . . . . . 674 1
54 . 1 1 26 26 LEU HD12 H 1 .72 . . 1 . . . . . . . . 674 1
55 . 1 1 26 26 LEU HD13 H 1 .72 . . 1 . . . . . . . . 674 1
56 . 1 1 26 26 LEU HD21 H 1 .72 . . 1 . . . . . . . . 674 1
57 . 1 1 26 26 LEU HD22 H 1 .72 . . 1 . . . . . . . . 674 1
58 . 1 1 26 26 LEU HD23 H 1 .72 . . 1 . . . . . . . . 674 1
59 . 1 1 27 27 MET HE1 H 1 2.04 . . 1 . . . . . . . . 674 1
60 . 1 1 27 27 MET HE2 H 1 2.04 . . 1 . . . . . . . . 674 1
61 . 1 1 27 27 MET HE3 H 1 2.04 . . 1 . . . . . . . . 674 1
62 . 1 1 29 29 THR HB H 1 4.11 . . 1 . . . . . . . . 674 1
63 . 1 1 29 29 THR HG21 H 1 1.05 . . 1 . . . . . . . . 674 1
64 . 1 1 29 29 THR HG22 H 1 1.05 . . 1 . . . . . . . . 674 1
65 . 1 1 29 29 THR HG23 H 1 1.05 . . 1 . . . . . . . . 674 1
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save_