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 1817
_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 . 1817 1
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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 TYR HA H 1 3.77 . . 1 . . . . . . . . 1817 1
2 . 1 1 1 1 TYR HB2 H 1 2.97 . . 2 . . . . . . . . 1817 1
3 . 1 1 1 1 TYR HB3 H 1 2.83 . . 2 . . . . . . . . 1817 1
4 . 1 1 1 1 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 1817 1
5 . 1 1 1 1 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 1817 1
6 . 1 1 1 1 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 1817 1
7 . 1 1 1 1 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 1817 1
8 . 1 1 2 2 GLN H H 1 8.24 . . 1 . . . . . . . . 1817 1
9 . 1 1 2 2 GLN HA H 1 4.25 . . 1 . . . . . . . . 1817 1
10 . 1 1 2 2 GLN HB2 H 1 2.05 . . 1 . . . . . . . . 1817 1
11 . 1 1 2 2 GLN HB3 H 1 2.05 . . 1 . . . . . . . . 1817 1
12 . 1 1 2 2 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 1817 1
13 . 1 1 2 2 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 1817 1
14 . 1 1 2 2 GLN HE21 H 1 7.69 . . 2 . . . . . . . . 1817 1
15 . 1 1 2 2 GLN HE22 H 1 6.75 . . 2 . . . . . . . . 1817 1
16 . 1 1 3 3 GLN H H 1 8.65 . . 1 . . . . . . . . 1817 1
17 . 1 1 3 3 GLN HA H 1 4.22 . . 1 . . . . . . . . 1817 1
18 . 1 1 3 3 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 1817 1
19 . 1 1 3 3 GLN HB3 H 1 1.9 . . 2 . . . . . . . . 1817 1
20 . 1 1 3 3 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 1817 1
21 . 1 1 3 3 GLN HG3 H 1 2.15 . . 2 . . . . . . . . 1817 1
22 . 1 1 3 3 GLN HE21 H 1 7.54 . . 2 . . . . . . . . 1817 1
23 . 1 1 3 3 GLN HE22 H 1 6.82 . . 2 . . . . . . . . 1817 1
24 . 1 1 4 4 TYR H H 1 8.13 . . 1 . . . . . . . . 1817 1
25 . 1 1 4 4 TYR HA H 1 4.46 . . 1 . . . . . . . . 1817 1
26 . 1 1 4 4 TYR HB2 H 1 3.07 . . 2 . . . . . . . . 1817 1
27 . 1 1 4 4 TYR HB3 H 1 2.93 . . 2 . . . . . . . . 1817 1
28 . 1 1 4 4 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 1817 1
29 . 1 1 4 4 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 1817 1
30 . 1 1 4 4 TYR HE1 H 1 6.72 . . 1 . . . . . . . . 1817 1
31 . 1 1 4 4 TYR HE2 H 1 6.72 . . 1 . . . . . . . . 1817 1
32 . 1 1 5 5 GLN H H 1 8.21 . . 1 . . . . . . . . 1817 1
33 . 1 1 5 5 GLN HA H 1 4.25 . . 1 . . . . . . . . 1817 1
34 . 1 1 5 5 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 1817 1
35 . 1 1 5 5 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 1817 1
36 . 1 1 5 5 GLN HG2 H 1 2.28 . . 1 . . . . . . . . 1817 1
37 . 1 1 5 5 GLN HG3 H 1 2.28 . . 1 . . . . . . . . 1817 1
38 . 1 1 6 6 ASP H H 1 8.24 . . 1 . . . . . . . . 1817 1
39 . 1 1 6 6 ASP HA H 1 4.57 . . 1 . . . . . . . . 1817 1
40 . 1 1 6 6 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 1817 1
41 . 1 1 6 6 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 1817 1
42 . 1 1 7 7 ALA H H 1 8.34 . . 1 . . . . . . . . 1817 1
43 . 1 1 7 7 ALA HA H 1 4.31 . . 1 . . . . . . . . 1817 1
44 . 1 1 7 7 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 1817 1
45 . 1 1 7 7 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 1817 1
46 . 1 1 7 7 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 1817 1
47 . 1 1 8 8 THR H H 1 8.18 . . 1 . . . . . . . . 1817 1
48 . 1 1 8 8 THR HA H 1 4.24 . . 1 . . . . . . . . 1817 1
49 . 1 1 8 8 THR HB H 1 4.27 . . 1 . . . . . . . . 1817 1
50 . 1 1 8 8 THR HG21 H 1 1.2 . . 1 . . . . . . . . 1817 1
51 . 1 1 8 8 THR HG22 H 1 1.2 . . 1 . . . . . . . . 1817 1
52 . 1 1 8 8 THR HG23 H 1 1.2 . . 1 . . . . . . . . 1817 1
53 . 1 1 9 9 ALA H H 1 8.1 . . 1 . . . . . . . . 1817 1
54 . 1 1 9 9 ALA HA H 1 4.26 . . 1 . . . . . . . . 1817 1
55 . 1 1 9 9 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 1817 1
56 . 1 1 9 9 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 1817 1
57 . 1 1 9 9 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 1817 1
58 . 1 1 10 10 ASP H H 1 8.11 . . 1 . . . . . . . . 1817 1
59 . 1 1 10 10 ASP HA H 1 4.52 . . 1 . . . . . . . . 1817 1
60 . 1 1 10 10 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 1817 1
61 . 1 1 10 10 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 1817 1
62 . 1 1 11 11 GLU H H 1 8.53 . . 1 . . . . . . . . 1817 1
63 . 1 1 11 11 GLU HA H 1 4.17 . . 1 . . . . . . . . 1817 1
64 . 1 1 11 11 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 1817 1
65 . 1 1 11 11 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 1817 1
66 . 1 1 11 11 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 1817 1
67 . 1 1 11 11 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 1817 1
68 . 1 1 12 12 GLN H H 1 8.24 . . 1 . . . . . . . . 1817 1
69 . 1 1 12 12 GLN HA H 1 4.25 . . 1 . . . . . . . . 1817 1
70 . 1 1 12 12 GLN HB2 H 1 2.05 . . 1 . . . . . . . . 1817 1
71 . 1 1 12 12 GLN HB3 H 1 2.05 . . 1 . . . . . . . . 1817 1
72 . 1 1 12 12 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 1817 1
73 . 1 1 12 12 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 1817 1
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