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 1920
_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 . 1920 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 3.3 . . 1 . . . . . . . . 1920 1
2 . 1 1 1 1 ALA HB1 H 1 -.26 . . 1 . . . . . . . . 1920 1
3 . 1 1 1 1 ALA HB2 H 1 -.26 . . 1 . . . . . . . . 1920 1
4 . 1 1 1 1 ALA HB3 H 1 -.26 . . 1 . . . . . . . . 1920 1
5 . 1 1 3 3 TRP HD1 H 1 7.44 . . 1 . . . . . . . . 1920 1
6 . 1 1 3 3 TRP HE3 H 1 7.52 . . 1 . . . . . . . . 1920 1
7 . 1 1 3 3 TRP HZ2 H 1 7.55 . . 1 . . . . . . . . 1920 1
8 . 1 1 3 3 TRP HZ3 H 1 7.16 . . 1 . . . . . . . . 1920 1
9 . 1 1 3 3 TRP HH2 H 1 7.25 . . 1 . . . . . . . . 1920 1
10 . 1 1 5 5 PHE HD1 H 1 7.17 . . 1 . . . . . . . . 1920 1
11 . 1 1 5 5 PHE HD2 H 1 7.17 . . 1 . . . . . . . . 1920 1
12 . 1 1 5 5 PHE HE1 H 1 6.97 . . 1 . . . . . . . . 1920 1
13 . 1 1 5 5 PHE HE2 H 1 6.97 . . 1 . . . . . . . . 1920 1
14 . 1 1 5 5 PHE HZ H 1 6.23 . . 1 . . . . . . . . 1920 1
15 . 1 1 9 9 ILE HB H 1 1.64 . . 1 . . . . . . . . 1920 1
16 . 1 1 9 9 ILE HD11 H 1 -.08 . . 1 . . . . . . . . 1920 1
17 . 1 1 9 9 ILE HD12 H 1 -.08 . . 1 . . . . . . . . 1920 1
18 . 1 1 9 9 ILE HD13 H 1 -.08 . . 1 . . . . . . . . 1920 1
19 . 1 1 17 17 HIS HD2 H 1 7.42 . . 1 . . . . . . . . 1920 1
20 . 1 1 22 22 PHE HD1 H 1 6.9 . . 1 . . . . . . . . 1920 1
21 . 1 1 22 22 PHE HD2 H 1 6.9 . . 1 . . . . . . . . 1920 1
22 . 1 1 22 22 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 1920 1
23 . 1 1 22 22 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 1920 1
24 . 1 1 22 22 PHE HZ H 1 7.01 . . 1 . . . . . . . . 1920 1
25 . 1 1 28 28 TYR HD1 H 1 7.2 . . 1 . . . . . . . . 1920 1
26 . 1 1 28 28 TYR HD2 H 1 7.2 . . 1 . . . . . . . . 1920 1
27 . 1 1 28 28 TYR HE1 H 1 6.49 . . 1 . . . . . . . . 1920 1
28 . 1 1 28 28 TYR HE2 H 1 6.49 . . 1 . . . . . . . . 1920 1
29 . 1 1 38 38 VAL HB H 1 1.77 . . 1 . . . . . . . . 1920 1
30 . 1 1 38 38 VAL HG11 H 1 .88 . . 2 . . . . . . . . 1920 1
31 . 1 1 38 38 VAL HG12 H 1 .88 . . 2 . . . . . . . . 1920 1
32 . 1 1 38 38 VAL HG13 H 1 .88 . . 2 . . . . . . . . 1920 1
33 . 1 1 38 38 VAL HG21 H 1 .56 . . 2 . . . . . . . . 1920 1
34 . 1 1 38 38 VAL HG22 H 1 .56 . . 2 . . . . . . . . 1920 1
35 . 1 1 38 38 VAL HG23 H 1 .56 . . 2 . . . . . . . . 1920 1
36 . 1 1 41 41 LEU HB2 H 1 1.43 . . 1 . . . . . . . . 1920 1
37 . 1 1 41 41 LEU HB3 H 1 1.43 . . 1 . . . . . . . . 1920 1
38 . 1 1 41 41 LEU HG H 1 1.2 . . 1 . . . . . . . . 1920 1
39 . 1 1 41 41 LEU HD11 H 1 .11 . . 2 . . . . . . . . 1920 1
40 . 1 1 41 41 LEU HD12 H 1 .11 . . 2 . . . . . . . . 1920 1
41 . 1 1 41 41 LEU HD13 H 1 .11 . . 2 . . . . . . . . 1920 1
42 . 1 1 41 41 LEU HD21 H 1 .55 . . 2 . . . . . . . . 1920 1
43 . 1 1 41 41 LEU HD22 H 1 .55 . . 2 . . . . . . . . 1920 1
44 . 1 1 41 41 LEU HD23 H 1 .55 . . 2 . . . . . . . . 1920 1
45 . 1 1 52 52 TYR HD1 H 1 6.73 . . 1 . . . . . . . . 1920 1
46 . 1 1 52 52 TYR HD2 H 1 6.73 . . 1 . . . . . . . . 1920 1
47 . 1 1 52 52 TYR HE1 H 1 6.23 . . 1 . . . . . . . . 1920 1
48 . 1 1 52 52 TYR HE2 H 1 6.23 . . 1 . . . . . . . . 1920 1
49 . 1 1 58 58 LEU HG H 1 1.48 . . 1 . . . . . . . . 1920 1
50 . 1 1 58 58 LEU HD11 H 1 .48 . . 2 . . . . . . . . 1920 1
51 . 1 1 58 58 LEU HD12 H 1 .48 . . 2 . . . . . . . . 1920 1
52 . 1 1 58 58 LEU HD13 H 1 .48 . . 2 . . . . . . . . 1920 1
53 . 1 1 58 58 LEU HD21 H 1 .58 . . 2 . . . . . . . . 1920 1
54 . 1 1 58 58 LEU HD22 H 1 .58 . . 2 . . . . . . . . 1920 1
55 . 1 1 58 58 LEU HD23 H 1 .58 . . 2 . . . . . . . . 1920 1
56 . 1 1 63 63 PHE HD1 H 1 7.45 . . 1 . . . . . . . . 1920 1
57 . 1 1 63 63 PHE HD2 H 1 7.45 . . 1 . . . . . . . . 1920 1
58 . 1 1 63 63 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 1920 1
59 . 1 1 63 63 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 1920 1
60 . 1 1 63 63 PHE HZ H 1 7.33 . . 1 . . . . . . . . 1920 1
61 . 1 1 69 69 TYR HD1 H 1 7.28 . . 1 . . . . . . . . 1920 1
62 . 1 1 69 69 TYR HD2 H 1 7.28 . . 1 . . . . . . . . 1920 1
63 . 1 1 69 69 TYR HE1 H 1 7.07 . . 1 . . . . . . . . 1920 1
64 . 1 1 69 69 TYR HE2 H 1 7.07 . . 1 . . . . . . . . 1920 1
65 . 1 1 75 75 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 1920 1
66 . 1 1 75 75 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 1920 1
67 . 1 1 75 75 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 1920 1
68 . 1 1 75 75 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 1920 1
69 . 1 1 94 94 PHE HD1 H 1 7.1 . . 1 . . . . . . . . 1920 1
70 . 1 1 94 94 PHE HD2 H 1 7.1 . . 1 . . . . . . . . 1920 1
71 . 1 1 94 94 PHE HE1 H 1 7.56 . . 1 . . . . . . . . 1920 1
72 . 1 1 94 94 PHE HE2 H 1 7.56 . . 1 . . . . . . . . 1920 1
73 . 1 1 94 94 PHE HZ H 1 7.45 . . 1 . . . . . . . . 1920 1
74 . 1 1 106 106 PHE HD1 H 1 6.56 . . 1 . . . . . . . . 1920 1
75 . 1 1 106 106 PHE HD2 H 1 6.56 . . 1 . . . . . . . . 1920 1
76 . 1 1 106 106 PHE HE1 H 1 6.82 . . 1 . . . . . . . . 1920 1
77 . 1 1 106 106 PHE HE2 H 1 6.82 . . 1 . . . . . . . . 1920 1
78 . 1 1 106 106 PHE HZ H 1 7.1 . . 1 . . . . . . . . 1920 1
79 . 1 1 111 111 TYR HD1 H 1 6.84 . . 1 . . . . . . . . 1920 1
80 . 1 1 111 111 TYR HD2 H 1 6.84 . . 1 . . . . . . . . 1920 1
81 . 1 1 111 111 TYR HE1 H 1 6.47 . . 1 . . . . . . . . 1920 1
82 . 1 1 111 111 TYR HE2 H 1 6.47 . . 1 . . . . . . . . 1920 1
83 . 1 1 115 115 HIS HD2 H 1 6.84 . . 1 . . . . . . . . 1920 1
84 . 1 1 118 118 LEU HB2 H 1 1.2 . . 1 . . . . . . . . 1920 1
85 . 1 1 118 118 LEU HB3 H 1 1.2 . . 1 . . . . . . . . 1920 1
86 . 1 1 118 118 LEU HG H 1 1.33 . . 1 . . . . . . . . 1920 1
87 . 1 1 118 118 LEU HD11 H 1 .44 . . 2 . . . . . . . . 1920 1
88 . 1 1 118 118 LEU HD12 H 1 .44 . . 2 . . . . . . . . 1920 1
89 . 1 1 118 118 LEU HD13 H 1 .44 . . 2 . . . . . . . . 1920 1
90 . 1 1 118 118 LEU HD21 H 1 .47 . . 2 . . . . . . . . 1920 1
91 . 1 1 118 118 LEU HD22 H 1 .47 . . 2 . . . . . . . . 1920 1
92 . 1 1 118 118 LEU HD23 H 1 .47 . . 2 . . . . . . . . 1920 1
93 . 1 1 123 123 TYR HD1 H 1 7.36 . . 1 . . . . . . . . 1920 1
94 . 1 1 123 123 TYR HD2 H 1 7.36 . . 1 . . . . . . . . 1920 1
95 . 1 1 123 123 TYR HE1 H 1 6.97 . . 1 . . . . . . . . 1920 1
96 . 1 1 123 123 TYR HE2 H 1 6.97 . . 1 . . . . . . . . 1920 1
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save_