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 1760
_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 . 1760 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 PHE HA H 1 4.3 . . 1 . . . . . . . . 1760 1
2 . 1 1 1 1 PHE HB2 H 1 2.67 . . 2 . . . . . . . . 1760 1
3 . 1 1 1 1 PHE HB3 H 1 2.84 . . 2 . . . . . . . . 1760 1
4 . 1 1 1 1 PHE HD1 H 1 7.06 . . 1 . . . . . . . . 1760 1
5 . 1 1 1 1 PHE HD2 H 1 7.06 . . 1 . . . . . . . . 1760 1
6 . 1 1 1 1 PHE HE1 H 1 7.17 . . 1 . . . . . . . . 1760 1
7 . 1 1 1 1 PHE HE2 H 1 7.17 . . 1 . . . . . . . . 1760 1
8 . 1 1 1 1 PHE HZ H 1 7.1 . . 1 . . . . . . . . 1760 1
9 . 1 1 5 5 HIS HA H 1 4.3 . . 1 . . . . . . . . 1760 1
10 . 1 1 5 5 HIS HB2 H 1 3.3 . . 2 . . . . . . . . 1760 1
11 . 1 1 5 5 HIS HB3 H 1 2.96 . . 2 . . . . . . . . 1760 1
12 . 1 1 5 5 HIS HD2 H 1 6.72 . . 1 . . . . . . . . 1760 1
13 . 1 1 5 5 HIS HE1 H 1 7.54 . . 1 . . . . . . . . 1760 1
14 . 1 1 14 14 ALA HA H 1 3.95 . . 1 . . . . . . . . 1760 1
15 . 1 1 14 14 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 1760 1
16 . 1 1 14 14 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 1760 1
17 . 1 1 14 14 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 1760 1
18 . 1 1 16 16 TYR HA H 1 4.31 . . 1 . . . . . . . . 1760 1
19 . 1 1 16 16 TYR HB2 H 1 3.06 . . 1 . . . . . . . . 1760 1
20 . 1 1 16 16 TYR HB3 H 1 3.06 . . 1 . . . . . . . . 1760 1
21 . 1 1 16 16 TYR HD1 H 1 7.18 . . 1 . . . . . . . . 1760 1
22 . 1 1 16 16 TYR HD2 H 1 7.18 . . 1 . . . . . . . . 1760 1
23 . 1 1 16 16 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 1760 1
24 . 1 1 16 16 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 1760 1
25 . 1 1 22 22 ARG HA H 1 4.06 . . 1 . . . . . . . . 1760 1
26 . 1 1 22 22 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 1760 1
27 . 1 1 22 22 ARG HB3 H 1 2.06 . . 2 . . . . . . . . 1760 1
28 . 1 1 22 22 ARG HG2 H 1 1.76 . . 1 . . . . . . . . 1760 1
29 . 1 1 22 22 ARG HG3 H 1 1.76 . . 1 . . . . . . . . 1760 1
30 . 1 1 22 22 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 1760 1
31 . 1 1 22 22 ARG HD3 H 1 3.28 . . 2 . . . . . . . . 1760 1
32 . 1 1 23 23 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 1760 1
33 . 1 1 23 23 GLY HA3 H 1 4 . . 2 . . . . . . . . 1760 1
34 . 1 1 24 24 PHE HA H 1 5.13 . . 1 . . . . . . . . 1760 1
35 . 1 1 24 24 PHE HB2 H 1 2.8 . . 2 . . . . . . . . 1760 1
36 . 1 1 24 24 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 1760 1
37 . 1 1 24 24 PHE HD1 H 1 6.62 . . 1 . . . . . . . . 1760 1
38 . 1 1 24 24 PHE HD2 H 1 6.62 . . 1 . . . . . . . . 1760 1
39 . 1 1 24 24 PHE HE1 H 1 6.77 . . 1 . . . . . . . . 1760 1
40 . 1 1 24 24 PHE HE2 H 1 6.77 . . 1 . . . . . . . . 1760 1
41 . 1 1 24 24 PHE HZ H 1 6.86 . . 1 . . . . . . . . 1760 1
42 . 1 1 25 25 PHE HA H 1 4.74 . . 1 . . . . . . . . 1760 1
43 . 1 1 25 25 PHE HB2 H 1 3.1 . . 1 . . . . . . . . 1760 1
44 . 1 1 25 25 PHE HB3 H 1 3.1 . . 1 . . . . . . . . 1760 1
45 . 1 1 25 25 PHE HD1 H 1 7.11 . . 1 . . . . . . . . 1760 1
46 . 1 1 25 25 PHE HD2 H 1 7.11 . . 1 . . . . . . . . 1760 1
47 . 1 1 25 25 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 1760 1
48 . 1 1 25 25 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 1760 1
49 . 1 1 25 25 PHE HZ H 1 7.13 . . 1 . . . . . . . . 1760 1
50 . 1 1 26 26 TYR HA H 1 4.53 . . 1 . . . . . . . . 1760 1
51 . 1 1 26 26 TYR HB2 H 1 2.84 . . 1 . . . . . . . . 1760 1
52 . 1 1 26 26 TYR HB3 H 1 2.84 . . 1 . . . . . . . . 1760 1
53 . 1 1 26 26 TYR HD1 H 1 6.86 . . 1 . . . . . . . . 1760 1
54 . 1 1 26 26 TYR HD2 H 1 6.86 . . 1 . . . . . . . . 1760 1
55 . 1 1 26 26 TYR HE1 H 1 6.66 . . 1 . . . . . . . . 1760 1
56 . 1 1 26 26 TYR HE2 H 1 6.66 . . 1 . . . . . . . . 1760 1
57 . 1 1 28 28 LYS HA H 1 4.31 . . 1 . . . . . . . . 1760 1
58 . 1 1 28 28 LYS HB2 H 1 1.7 . . 2 . . . . . . . . 1760 1
59 . 1 1 28 28 LYS HB3 H 1 1.63 . . 2 . . . . . . . . 1760 1
60 . 1 1 28 28 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 1760 1
61 . 1 1 28 28 LYS HG3 H 1 1.34 . . 1 . . . . . . . . 1760 1
62 . 1 1 28 28 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 1760 1
63 . 1 1 28 28 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 1760 1
64 . 1 1 28 28 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 1760 1
65 . 1 1 28 28 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 1760 1
66 . 1 1 29 29 PRO HA H 1 4.37 . . 1 . . . . . . . . 1760 1
67 . 1 1 29 29 PRO HB2 H 1 1.89 . . 2 . . . . . . . . 1760 1
68 . 1 1 29 29 PRO HB3 H 1 2.19 . . 2 . . . . . . . . 1760 1
69 . 1 1 29 29 PRO HG2 H 1 1.87 . . 1 . . . . . . . . 1760 1
70 . 1 1 29 29 PRO HG3 H 1 1.87 . . 1 . . . . . . . . 1760 1
71 . 1 1 29 29 PRO HD2 H 1 3.52 . . 2 . . . . . . . . 1760 1
72 . 1 1 29 29 PRO HD3 H 1 3.66 . . 2 . . . . . . . . 1760 1
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save_