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 1727
_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 . 1727 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 TRP HA H 1 4.09 . . 1 . . . . . . . . 1727 1
2 . 1 1 1 1 TRP HB2 H 1 3.1 . . 1 . . . . . . . . 1727 1
3 . 1 1 1 1 TRP HB3 H 1 3.1 . . 1 . . . . . . . . 1727 1
4 . 1 1 1 1 TRP HD1 H 1 7.1 . . 1 . . . . . . . . 1727 1
5 . 1 1 1 1 TRP HE3 H 1 7.47 . . 1 . . . . . . . . 1727 1
6 . 1 1 1 1 TRP HZ2 H 1 7.41 . . 1 . . . . . . . . 1727 1
7 . 1 1 1 1 TRP HZ3 H 1 7.06 . . 1 . . . . . . . . 1727 1
8 . 1 1 1 1 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 1727 1
9 . 1 1 2 2 HIS HA H 1 4.49 . . 1 . . . . . . . . 1727 1
10 . 1 1 2 2 HIS HB2 H 1 2.92 . . 1 . . . . . . . . 1727 1
11 . 1 1 2 2 HIS HB3 H 1 2.92 . . 1 . . . . . . . . 1727 1
12 . 1 1 2 2 HIS HD2 H 1 6.88 . . 1 . . . . . . . . 1727 1
13 . 1 1 2 2 HIS HE1 H 1 7.75 . . 1 . . . . . . . . 1727 1
14 . 1 1 3 3 TRP HA H 1 4.5 . . 1 . . . . . . . . 1727 1
15 . 1 1 3 3 TRP HB2 H 1 3.18 . . 1 . . . . . . . . 1727 1
16 . 1 1 3 3 TRP HB3 H 1 3.18 . . 1 . . . . . . . . 1727 1
17 . 1 1 3 3 TRP HD1 H 1 7.15 . . 1 . . . . . . . . 1727 1
18 . 1 1 3 3 TRP HE3 H 1 7.5 . . 1 . . . . . . . . 1727 1
19 . 1 1 3 3 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . 1727 1
20 . 1 1 3 3 TRP HZ3 H 1 7.12 . . 1 . . . . . . . . 1727 1
21 . 1 1 3 3 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 1727 1
22 . 1 1 4 4 LEU HA H 1 4.22 . . 1 . . . . . . . . 1727 1
23 . 1 1 4 4 LEU HB2 H 1 1.46 . . 1 . . . . . . . . 1727 1
24 . 1 1 4 4 LEU HB3 H 1 1.46 . . 1 . . . . . . . . 1727 1
25 . 1 1 4 4 LEU HG H 1 1.32 . . 1 . . . . . . . . 1727 1
26 . 1 1 4 4 LEU HD11 H 1 .77 . . 2 . . . . . . . . 1727 1
27 . 1 1 4 4 LEU HD12 H 1 .77 . . 2 . . . . . . . . 1727 1
28 . 1 1 4 4 LEU HD13 H 1 .77 . . 2 . . . . . . . . 1727 1
29 . 1 1 4 4 LEU HD21 H 1 .82 . . 2 . . . . . . . . 1727 1
30 . 1 1 4 4 LEU HD22 H 1 .82 . . 2 . . . . . . . . 1727 1
31 . 1 1 4 4 LEU HD23 H 1 .82 . . 2 . . . . . . . . 1727 1
32 . 1 1 5 5 GLN HA H 1 4.25 . . 1 . . . . . . . . 1727 1
33 . 1 1 5 5 GLN HB2 H 1 1.92 . . 2 . . . . . . . . 1727 1
34 . 1 1 5 5 GLN HB3 H 1 2.04 . . 2 . . . . . . . . 1727 1
35 . 1 1 5 5 GLN HG2 H 1 2.25 . . 1 . . . . . . . . 1727 1
36 . 1 1 5 5 GLN HG3 H 1 2.25 . . 1 . . . . . . . . 1727 1
37 . 1 1 6 6 LEU HA H 1 4.32 . . 1 . . . . . . . . 1727 1
38 . 1 1 6 6 LEU HB2 H 1 1.56 . . 1 . . . . . . . . 1727 1
39 . 1 1 6 6 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 1727 1
40 . 1 1 6 6 LEU HG H 1 1.56 . . 1 . . . . . . . . 1727 1
41 . 1 1 6 6 LEU HD11 H 1 .82 . . 2 . . . . . . . . 1727 1
42 . 1 1 6 6 LEU HD12 H 1 .82 . . 2 . . . . . . . . 1727 1
43 . 1 1 6 6 LEU HD13 H 1 .82 . . 2 . . . . . . . . 1727 1
44 . 1 1 6 6 LEU HD21 H 1 .87 . . 2 . . . . . . . . 1727 1
45 . 1 1 6 6 LEU HD22 H 1 .87 . . 2 . . . . . . . . 1727 1
46 . 1 1 6 6 LEU HD23 H 1 .87 . . 2 . . . . . . . . 1727 1
47 . 1 1 7 7 LYS HA H 1 4.59 . . 1 . . . . . . . . 1727 1
48 . 1 1 7 7 LYS HB2 H 1 1.65 . . 2 . . . . . . . . 1727 1
49 . 1 1 7 7 LYS HB3 H 1 1.77 . . 2 . . . . . . . . 1727 1
50 . 1 1 7 7 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 1727 1
51 . 1 1 7 7 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 1727 1
52 . 1 1 7 7 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 1727 1
53 . 1 1 7 7 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 1727 1
54 . 1 1 7 7 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 1727 1
55 . 1 1 7 7 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 1727 1
56 . 1 1 8 8 PRO HA H 1 4.32 . . 1 . . . . . . . . 1727 1
57 . 1 1 8 8 PRO HB2 H 1 1.91 . . 2 . . . . . . . . 1727 1
58 . 1 1 8 8 PRO HB3 H 1 2.28 . . 2 . . . . . . . . 1727 1
59 . 1 1 8 8 PRO HG2 H 1 2 . . 1 . . . . . . . . 1727 1
60 . 1 1 8 8 PRO HG3 H 1 2 . . 1 . . . . . . . . 1727 1
61 . 1 1 8 8 PRO HD2 H 1 3.75 . . 2 . . . . . . . . 1727 1
62 . 1 1 8 8 PRO HD3 H 1 3.59 . . 2 . . . . . . . . 1727 1
63 . 1 1 9 9 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 1727 1
64 . 1 1 9 9 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 1727 1
65 . 1 1 10 10 GLN HA H 1 4.64 . . 1 . . . . . . . . 1727 1
66 . 1 1 10 10 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 1727 1
67 . 1 1 10 10 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 1727 1
68 . 1 1 10 10 GLN HG2 H 1 2.33 . . 1 . . . . . . . . 1727 1
69 . 1 1 10 10 GLN HG3 H 1 2.33 . . 1 . . . . . . . . 1727 1
70 . 1 1 11 11 PRO HA H 1 4.38 . . 1 . . . . . . . . 1727 1
71 . 1 1 11 11 PRO HB2 H 1 1.77 . . 2 . . . . . . . . 1727 1
72 . 1 1 11 11 PRO HB3 H 1 2.17 . . 2 . . . . . . . . 1727 1
73 . 1 1 11 11 PRO HG2 H 1 2 . . 1 . . . . . . . . 1727 1
74 . 1 1 11 11 PRO HG3 H 1 2 . . 1 . . . . . . . . 1727 1
75 . 1 1 11 11 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 1727 1
76 . 1 1 11 11 PRO HD3 H 1 3.6 . . 2 . . . . . . . . 1727 1
77 . 1 1 12 12 MET HA H 1 4.35 . . 1 . . . . . . . . 1727 1
78 . 1 1 12 12 MET HB2 H 1 1.84 . . 2 . . . . . . . . 1727 1
79 . 1 1 12 12 MET HB3 H 1 1.91 . . 2 . . . . . . . . 1727 1
80 . 1 1 12 12 MET HG2 H 1 2.4 . . 2 . . . . . . . . 1727 1
81 . 1 1 12 12 MET HG3 H 1 2.46 . . 2 . . . . . . . . 1727 1
82 . 1 1 12 12 MET HE1 H 1 2.02 . . 1 . . . . . . . . 1727 1
83 . 1 1 12 12 MET HE2 H 1 2.02 . . 1 . . . . . . . . 1727 1
84 . 1 1 12 12 MET HE3 H 1 2.02 . . 1 . . . . . . . . 1727 1
85 . 1 1 13 13 TYR HA H 1 4.37 . . 1 . . . . . . . . 1727 1
86 . 1 1 13 13 TYR HB2 H 1 3.08 . . 2 . . . . . . . . 1727 1
87 . 1 1 13 13 TYR HB3 H 1 2.85 . . 2 . . . . . . . . 1727 1
88 . 1 1 13 13 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 1727 1
89 . 1 1 13 13 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 1727 1
90 . 1 1 13 13 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 1727 1
91 . 1 1 13 13 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 1727 1
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