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 486
_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 . 486 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 5 5 LEU CD1 C 13 25.3 . . 1 . . . . . . . . 486 1
2 . 1 1 5 5 LEU CD2 C 13 22.5 . . 1 . . . . . . . . 486 1
3 . 1 1 5 5 LEU HD11 H 1 .99 . . 1 . . . . . . . . 486 1
4 . 1 1 5 5 LEU HD12 H 1 .99 . . 1 . . . . . . . . 486 1
5 . 1 1 5 5 LEU HD13 H 1 .99 . . 1 . . . . . . . . 486 1
6 . 1 1 5 5 LEU HD21 H 1 .92 . . 1 . . . . . . . . 486 1
7 . 1 1 5 5 LEU HD22 H 1 .92 . . 1 . . . . . . . . 486 1
8 . 1 1 5 5 LEU HD23 H 1 .92 . . 1 . . . . . . . . 486 1
9 . 1 1 17 17 LEU CD1 C 13 25.6 . . 1 . . . . . . . . 486 1
10 . 1 1 17 17 LEU CD2 C 13 22 . . 1 . . . . . . . . 486 1
11 . 1 1 17 17 LEU HD11 H 1 .88 . . 1 . . . . . . . . 486 1
12 . 1 1 17 17 LEU HD12 H 1 .88 . . 1 . . . . . . . . 486 1
13 . 1 1 17 17 LEU HD13 H 1 .88 . . 1 . . . . . . . . 486 1
14 . 1 1 17 17 LEU HD21 H 1 .83 . . 1 . . . . . . . . 486 1
15 . 1 1 17 17 LEU HD22 H 1 .83 . . 1 . . . . . . . . 486 1
16 . 1 1 17 17 LEU HD23 H 1 .83 . . 1 . . . . . . . . 486 1
17 . 1 1 24 24 LEU CD1 C 13 24.4 . . 1 . . . . . . . . 486 1
18 . 1 1 24 24 LEU CD2 C 13 26.6 . . 1 . . . . . . . . 486 1
19 . 1 1 24 24 LEU HD11 H 1 1.02 . . 1 . . . . . . . . 486 1
20 . 1 1 24 24 LEU HD12 H 1 1.02 . . 1 . . . . . . . . 486 1
21 . 1 1 24 24 LEU HD13 H 1 1.02 . . 1 . . . . . . . . 486 1
22 . 1 1 24 24 LEU HD21 H 1 .96 . . 1 . . . . . . . . 486 1
23 . 1 1 24 24 LEU HD22 H 1 .96 . . 1 . . . . . . . . 486 1
24 . 1 1 24 24 LEU HD23 H 1 .96 . . 1 . . . . . . . . 486 1
25 . 1 1 28 28 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 486 1
26 . 1 1 28 28 VAL CG2 C 13 22.5 . . 1 . . . . . . . . 486 1
27 . 1 1 28 28 VAL HG11 H 1 1.17 . . 1 . . . . . . . . 486 1
28 . 1 1 28 28 VAL HG12 H 1 1.17 . . 1 . . . . . . . . 486 1
29 . 1 1 28 28 VAL HG13 H 1 1.17 . . 1 . . . . . . . . 486 1
30 . 1 1 28 28 VAL HG21 H 1 1.13 . . 1 . . . . . . . . 486 1
31 . 1 1 28 28 VAL HG22 H 1 1.13 . . 1 . . . . . . . . 486 1
32 . 1 1 28 28 VAL HG23 H 1 1.13 . . 1 . . . . . . . . 486 1
33 . 1 1 30 30 VAL CG1 C 13 21 . . 1 . . . . . . . . 486 1
34 . 1 1 30 30 VAL CG2 C 13 18 . . 1 . . . . . . . . 486 1
35 . 1 1 30 30 VAL HG11 H 1 .95 . . 1 . . . . . . . . 486 1
36 . 1 1 30 30 VAL HG12 H 1 .95 . . 1 . . . . . . . . 486 1
37 . 1 1 30 30 VAL HG13 H 1 .95 . . 1 . . . . . . . . 486 1
38 . 1 1 30 30 VAL HG21 H 1 .51 . . 1 . . . . . . . . 486 1
39 . 1 1 30 30 VAL HG22 H 1 .51 . . 1 . . . . . . . . 486 1
40 . 1 1 30 30 VAL HG23 H 1 .51 . . 1 . . . . . . . . 486 1
41 . 1 1 33 33 VAL CG1 C 13 20.4 . . 1 . . . . . . . . 486 1
42 . 1 1 33 33 VAL CG2 C 13 21.9 . . 1 . . . . . . . . 486 1
43 . 1 1 33 33 VAL HG11 H 1 .78 . . 1 . . . . . . . . 486 1
44 . 1 1 33 33 VAL HG12 H 1 .78 . . 1 . . . . . . . . 486 1
45 . 1 1 33 33 VAL HG13 H 1 .78 . . 1 . . . . . . . . 486 1
46 . 1 1 33 33 VAL HG21 H 1 .94 . . 1 . . . . . . . . 486 1
47 . 1 1 33 33 VAL HG22 H 1 .94 . . 1 . . . . . . . . 486 1
48 . 1 1 33 33 VAL HG23 H 1 .94 . . 1 . . . . . . . . 486 1
49 . 1 1 50 50 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 486 1
50 . 1 1 50 50 LEU CD2 C 13 25.4 . . 1 . . . . . . . . 486 1
51 . 1 1 50 50 LEU HD11 H 1 .81 . . 1 . . . . . . . . 486 1
52 . 1 1 50 50 LEU HD12 H 1 .81 . . 1 . . . . . . . . 486 1
53 . 1 1 50 50 LEU HD13 H 1 .81 . . 1 . . . . . . . . 486 1
54 . 1 1 50 50 LEU HD21 H 1 .86 . . 1 . . . . . . . . 486 1
55 . 1 1 50 50 LEU HD22 H 1 .86 . . 1 . . . . . . . . 486 1
56 . 1 1 50 50 LEU HD23 H 1 .86 . . 1 . . . . . . . . 486 1
57 . 1 1 51 51 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 486 1
58 . 1 1 51 51 LEU CD2 C 13 23.1 . . 1 . . . . . . . . 486 1
59 . 1 1 51 51 LEU HD11 H 1 .96 . . 1 . . . . . . . . 486 1
60 . 1 1 51 51 LEU HD12 H 1 .96 . . 1 . . . . . . . . 486 1
61 . 1 1 51 51 LEU HD13 H 1 .96 . . 1 . . . . . . . . 486 1
62 . 1 1 51 51 LEU HD21 H 1 .92 . . 1 . . . . . . . . 486 1
63 . 1 1 51 51 LEU HD22 H 1 .92 . . 1 . . . . . . . . 486 1
64 . 1 1 51 51 LEU HD23 H 1 .92 . . 1 . . . . . . . . 486 1
65 . 1 1 53 53 LEU CD1 C 13 25.2 . . 1 . . . . . . . . 486 1
66 . 1 1 53 53 LEU CD2 C 13 25.3 . . 1 . . . . . . . . 486 1
67 . 1 1 53 53 LEU HD11 H 1 .83 . . 1 . . . . . . . . 486 1
68 . 1 1 53 53 LEU HD12 H 1 .83 . . 1 . . . . . . . . 486 1
69 . 1 1 53 53 LEU HD13 H 1 .83 . . 1 . . . . . . . . 486 1
70 . 1 1 53 53 LEU HD21 H 1 .97 . . 1 . . . . . . . . 486 1
71 . 1 1 53 53 LEU HD22 H 1 .97 . . 1 . . . . . . . . 486 1
72 . 1 1 53 53 LEU HD23 H 1 .97 . . 1 . . . . . . . . 486 1
73 . 1 1 57 57 LEU CD1 C 13 27.1 . . 1 . . . . . . . . 486 1
74 . 1 1 57 57 LEU CD2 C 13 22.1 . . 1 . . . . . . . . 486 1
75 . 1 1 57 57 LEU HD11 H 1 1.02 . . 1 . . . . . . . . 486 1
76 . 1 1 57 57 LEU HD12 H 1 1.02 . . 1 . . . . . . . . 486 1
77 . 1 1 57 57 LEU HD13 H 1 1.02 . . 1 . . . . . . . . 486 1
78 . 1 1 57 57 LEU HD21 H 1 .8 . . 1 . . . . . . . . 486 1
79 . 1 1 57 57 LEU HD22 H 1 .8 . . 1 . . . . . . . . 486 1
80 . 1 1 57 57 LEU HD23 H 1 .8 . . 1 . . . . . . . . 486 1
81 . 1 1 64 64 LEU CD1 C 13 26.4 . . 1 . . . . . . . . 486 1
82 . 1 1 64 64 LEU CD2 C 13 22.3 . . 1 . . . . . . . . 486 1
83 . 1 1 64 64 LEU HD11 H 1 .73 . . 1 . . . . . . . . 486 1
84 . 1 1 64 64 LEU HD12 H 1 .73 . . 1 . . . . . . . . 486 1
85 . 1 1 64 64 LEU HD13 H 1 .73 . . 1 . . . . . . . . 486 1
86 . 1 1 64 64 LEU HD21 H 1 .73 . . 1 . . . . . . . . 486 1
87 . 1 1 64 64 LEU HD22 H 1 .73 . . 1 . . . . . . . . 486 1
88 . 1 1 64 64 LEU HD23 H 1 .73 . . 1 . . . . . . . . 486 1
89 . 1 1 65 65 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 486 1
90 . 1 1 65 65 LEU CD2 C 13 23.8 . . 1 . . . . . . . . 486 1
91 . 1 1 65 65 LEU HD11 H 1 .83 . . 1 . . . . . . . . 486 1
92 . 1 1 65 65 LEU HD12 H 1 .83 . . 1 . . . . . . . . 486 1
93 . 1 1 65 65 LEU HD13 H 1 .83 . . 1 . . . . . . . . 486 1
94 . 1 1 65 65 LEU HD21 H 1 .85 . . 1 . . . . . . . . 486 1
95 . 1 1 65 65 LEU HD22 H 1 .85 . . 1 . . . . . . . . 486 1
96 . 1 1 65 65 LEU HD23 H 1 .85 . . 1 . . . . . . . . 486 1
97 . 1 1 69 69 LEU CD1 C 13 25 . . 1 . . . . . . . . 486 1
98 . 1 1 69 69 LEU CD2 C 13 23.3 . . 1 . . . . . . . . 486 1
99 . 1 1 69 69 LEU HD11 H 1 .94 . . 1 . . . . . . . . 486 1
100 . 1 1 69 69 LEU HD12 H 1 .94 . . 1 . . . . . . . . 486 1
101 . 1 1 69 69 LEU HD13 H 1 .94 . . 1 . . . . . . . . 486 1
102 . 1 1 69 69 LEU HD21 H 1 .87 . . 1 . . . . . . . . 486 1
103 . 1 1 69 69 LEU HD22 H 1 .87 . . 1 . . . . . . . . 486 1
104 . 1 1 69 69 LEU HD23 H 1 .87 . . 1 . . . . . . . . 486 1
105 . 1 1 74 74 VAL CG1 C 13 21 . . 1 . . . . . . . . 486 1
106 . 1 1 74 74 VAL CG2 C 13 20 . . 1 . . . . . . . . 486 1
107 . 1 1 74 74 VAL HG11 H 1 .76 . . 1 . . . . . . . . 486 1
108 . 1 1 74 74 VAL HG12 H 1 .76 . . 1 . . . . . . . . 486 1
109 . 1 1 74 74 VAL HG13 H 1 .76 . . 1 . . . . . . . . 486 1
110 . 1 1 74 74 VAL HG21 H 1 .83 . . 1 . . . . . . . . 486 1
111 . 1 1 74 74 VAL HG22 H 1 .83 . . 1 . . . . . . . . 486 1
112 . 1 1 74 74 VAL HG23 H 1 .83 . . 1 . . . . . . . . 486 1
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save_