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 1921
_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 . 1921 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 ALA HA H 1 3.16 . . 1 . . . . . . . . 1921 1
2 . 1 1 1 1 ALA HB1 H 1 -.43 . . 1 . . . . . . . . 1921 1
3 . 1 1 1 1 ALA HB2 H 1 -.43 . . 1 . . . . . . . . 1921 1
4 . 1 1 1 1 ALA HB3 H 1 -.43 . . 1 . . . . . . . . 1921 1
5 . 1 1 3 3 TRP HD1 H 1 7.42 . . 1 . . . . . . . . 1921 1
6 . 1 1 3 3 TRP HE3 H 1 7.53 . . 1 . . . . . . . . 1921 1
7 . 1 1 3 3 TRP HZ2 H 1 7.56 . . 1 . . . . . . . . 1921 1
8 . 1 1 3 3 TRP HZ3 H 1 7.18 . . 1 . . . . . . . . 1921 1
9 . 1 1 3 3 TRP HH2 H 1 7.25 . . 1 . . . . . . . . 1921 1
10 . 1 1 5 5 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 1921 1
11 . 1 1 5 5 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 1921 1
12 . 1 1 5 5 PHE HE1 H 1 6.99 . . 1 . . . . . . . . 1921 1
13 . 1 1 5 5 PHE HE2 H 1 6.99 . . 1 . . . . . . . . 1921 1
14 . 1 1 5 5 PHE HZ H 1 6.11 . . 1 . . . . . . . . 1921 1
15 . 1 1 9 9 ILE HB H 1 1.64 . . 1 . . . . . . . . 1921 1
16 . 1 1 9 9 ILE HD11 H 1 -.02 . . 1 . . . . . . . . 1921 1
17 . 1 1 9 9 ILE HD12 H 1 -.02 . . 1 . . . . . . . . 1921 1
18 . 1 1 9 9 ILE HD13 H 1 -.02 . . 1 . . . . . . . . 1921 1
19 . 1 1 17 17 HIS HD2 H 1 7.44 . . 1 . . . . . . . . 1921 1
20 . 1 1 22 22 PHE HD1 H 1 6.79 . . 1 . . . . . . . . 1921 1
21 . 1 1 22 22 PHE HD2 H 1 6.79 . . 1 . . . . . . . . 1921 1
22 . 1 1 22 22 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 1921 1
23 . 1 1 22 22 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 1921 1
24 . 1 1 22 22 PHE HZ H 1 7.08 . . 1 . . . . . . . . 1921 1
25 . 1 1 28 28 TYR HD1 H 1 7.28 . . 1 . . . . . . . . 1921 1
26 . 1 1 28 28 TYR HD2 H 1 7.28 . . 1 . . . . . . . . 1921 1
27 . 1 1 28 28 TYR HE1 H 1 6.48 . . 1 . . . . . . . . 1921 1
28 . 1 1 28 28 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 1921 1
29 . 1 1 38 38 VAL HB H 1 1.78 . . 1 . . . . . . . . 1921 1
30 . 1 1 38 38 VAL HG11 H 1 .88 . . 2 . . . . . . . . 1921 1
31 . 1 1 38 38 VAL HG12 H 1 .88 . . 2 . . . . . . . . 1921 1
32 . 1 1 38 38 VAL HG13 H 1 .88 . . 2 . . . . . . . . 1921 1
33 . 1 1 38 38 VAL HG21 H 1 .53 . . 2 . . . . . . . . 1921 1
34 . 1 1 38 38 VAL HG22 H 1 .53 . . 2 . . . . . . . . 1921 1
35 . 1 1 38 38 VAL HG23 H 1 .53 . . 2 . . . . . . . . 1921 1
36 . 1 1 41 41 LEU HB2 H 1 1.42 . . 1 . . . . . . . . 1921 1
37 . 1 1 41 41 LEU HB3 H 1 1.42 . . 1 . . . . . . . . 1921 1
38 . 1 1 41 41 LEU HG H 1 1.15 . . 1 . . . . . . . . 1921 1
39 . 1 1 41 41 LEU HD11 H 1 .54 . . 2 . . . . . . . . 1921 1
40 . 1 1 41 41 LEU HD12 H 1 .54 . . 2 . . . . . . . . 1921 1
41 . 1 1 41 41 LEU HD13 H 1 .54 . . 2 . . . . . . . . 1921 1
42 . 1 1 41 41 LEU HD21 H 1 .15 . . 2 . . . . . . . . 1921 1
43 . 1 1 41 41 LEU HD22 H 1 .15 . . 2 . . . . . . . . 1921 1
44 . 1 1 41 41 LEU HD23 H 1 .15 . . 2 . . . . . . . . 1921 1
45 . 1 1 42 42 HIS HE1 H 1 6.25 . . 1 . . . . . . . . 1921 1
46 . 1 1 52 52 TYR HD1 H 1 6.55 . . 1 . . . . . . . . 1921 1
47 . 1 1 52 52 TYR HD2 H 1 6.55 . . 1 . . . . . . . . 1921 1
48 . 1 1 52 52 TYR HE1 H 1 6.32 . . 1 . . . . . . . . 1921 1
49 . 1 1 52 52 TYR HE2 H 1 6.32 . . 1 . . . . . . . . 1921 1
50 . 1 1 58 58 LEU HG H 1 1.48 . . 1 . . . . . . . . 1921 1
51 . 1 1 58 58 LEU HD11 H 1 .47 . . 2 . . . . . . . . 1921 1
52 . 1 1 58 58 LEU HD12 H 1 .47 . . 2 . . . . . . . . 1921 1
53 . 1 1 58 58 LEU HD13 H 1 .47 . . 2 . . . . . . . . 1921 1
54 . 1 1 58 58 LEU HD21 H 1 .55 . . 2 . . . . . . . . 1921 1
55 . 1 1 58 58 LEU HD22 H 1 .55 . . 2 . . . . . . . . 1921 1
56 . 1 1 58 58 LEU HD23 H 1 .55 . . 2 . . . . . . . . 1921 1
57 . 1 1 63 63 PHE HD1 H 1 7.46 . . 1 . . . . . . . . 1921 1
58 . 1 1 63 63 PHE HD2 H 1 7.46 . . 1 . . . . . . . . 1921 1
59 . 1 1 63 63 PHE HE1 H 1 7.35 . . 1 . . . . . . . . 1921 1
60 . 1 1 63 63 PHE HE2 H 1 7.35 . . 1 . . . . . . . . 1921 1
61 . 1 1 63 63 PHE HZ H 1 7.35 . . 1 . . . . . . . . 1921 1
62 . 1 1 69 69 TYR HD1 H 1 7.31 . . 1 . . . . . . . . 1921 1
63 . 1 1 69 69 TYR HD2 H 1 7.31 . . 1 . . . . . . . . 1921 1
64 . 1 1 69 69 TYR HE1 H 1 7.15 . . 1 . . . . . . . . 1921 1
65 . 1 1 69 69 TYR HE2 H 1 7.15 . . 1 . . . . . . . . 1921 1
66 . 1 1 73 73 TYR HD1 H 1 6.52 . . 3 . . . . . . . . 1921 1
67 . 1 1 73 73 TYR HD2 H 1 6.75 . . 3 . . . . . . . . 1921 1
68 . 1 1 73 73 TYR HE1 H 1 6.2 . . 3 . . . . . . . . 1921 1
69 . 1 1 73 73 TYR HE2 H 1 6.71 . . 3 . . . . . . . . 1921 1
70 . 1 1 75 75 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 1921 1
71 . 1 1 75 75 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 1921 1
72 . 1 1 75 75 TYR HE1 H 1 6.83 . . 1 . . . . . . . . 1921 1
73 . 1 1 75 75 TYR HE2 H 1 6.83 . . 1 . . . . . . . . 1921 1
74 . 1 1 94 94 PHE HD1 H 1 7.07 . . 1 . . . . . . . . 1921 1
75 . 1 1 94 94 PHE HD2 H 1 7.07 . . 1 . . . . . . . . 1921 1
76 . 1 1 94 94 PHE HE1 H 1 7.58 . . 1 . . . . . . . . 1921 1
77 . 1 1 94 94 PHE HE2 H 1 7.58 . . 1 . . . . . . . . 1921 1
78 . 1 1 94 94 PHE HZ H 1 7.46 . . 1 . . . . . . . . 1921 1
79 . 1 1 106 106 PHE HD1 H 1 6.43 . . 1 . . . . . . . . 1921 1
80 . 1 1 106 106 PHE HD2 H 1 6.43 . . 1 . . . . . . . . 1921 1
81 . 1 1 106 106 PHE HE1 H 1 6.72 . . 1 . . . . . . . . 1921 1
82 . 1 1 106 106 PHE HE2 H 1 6.72 . . 1 . . . . . . . . 1921 1
83 . 1 1 106 106 PHE HZ H 1 7.07 . . 1 . . . . . . . . 1921 1
84 . 1 1 111 111 TYR HD1 H 1 6.85 . . 1 . . . . . . . . 1921 1
85 . 1 1 111 111 TYR HD2 H 1 6.85 . . 1 . . . . . . . . 1921 1
86 . 1 1 111 111 TYR HE1 H 1 6.44 . . 1 . . . . . . . . 1921 1
87 . 1 1 111 111 TYR HE2 H 1 6.44 . . 1 . . . . . . . . 1921 1
88 . 1 1 115 115 HIS HD2 H 1 6.78 . . 1 . . . . . . . . 1921 1
89 . 1 1 118 118 LEU HB2 H 1 1.27 . . 1 . . . . . . . . 1921 1
90 . 1 1 118 118 LEU HB3 H 1 1.27 . . 1 . . . . . . . . 1921 1
91 . 1 1 118 118 LEU HG H 1 1.38 . . 1 . . . . . . . . 1921 1
92 . 1 1 118 118 LEU HD11 H 1 .51 . . 2 . . . . . . . . 1921 1
93 . 1 1 118 118 LEU HD12 H 1 .51 . . 2 . . . . . . . . 1921 1
94 . 1 1 118 118 LEU HD13 H 1 .51 . . 2 . . . . . . . . 1921 1
95 . 1 1 118 118 LEU HD21 H 1 .47 . . 2 . . . . . . . . 1921 1
96 . 1 1 118 118 LEU HD22 H 1 .47 . . 2 . . . . . . . . 1921 1
97 . 1 1 118 118 LEU HD23 H 1 .47 . . 2 . . . . . . . . 1921 1
98 . 1 1 123 123 TYR HD1 H 1 7.37 . . 1 . . . . . . . . 1921 1
99 . 1 1 123 123 TYR HD2 H 1 7.37 . . 1 . . . . . . . . 1921 1
100 . 1 1 123 123 TYR HE1 H 1 6.97 . . 1 . . . . . . . . 1921 1
101 . 1 1 123 123 TYR HE2 H 1 6.97 . . 1 . . . . . . . . 1921 1
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