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 428
_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 . 428 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 2 2 LEU H H 1 8.35 . . 1 . . . . . . . . 428 1
2 . 1 1 2 2 LEU HA H 1 4.37 . . 1 . . . . . . . . 428 1
3 . 1 1 2 2 LEU HB2 H 1 1.59 . . 2 . . . . . . . . 428 1
4 . 1 1 2 2 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 428 1
5 . 1 1 2 2 LEU HG H 1 1.57 . . 1 . . . . . . . . 428 1
6 . 1 1 2 2 LEU HD11 H 1 .89 . . 2 . . . . . . . . 428 1
7 . 1 1 2 2 LEU HD12 H 1 .89 . . 2 . . . . . . . . 428 1
8 . 1 1 2 2 LEU HD13 H 1 .89 . . 2 . . . . . . . . 428 1
9 . 1 1 2 2 LEU HD21 H 1 .85 . . 2 . . . . . . . . 428 1
10 . 1 1 2 2 LEU HD22 H 1 .85 . . 2 . . . . . . . . 428 1
11 . 1 1 2 2 LEU HD23 H 1 .85 . . 2 . . . . . . . . 428 1
12 . 1 1 3 3 SER H H 1 8.17 . . 1 . . . . . . . . 428 1
13 . 1 1 3 3 SER HA H 1 4.4 . . 1 . . . . . . . . 428 1
14 . 1 1 3 3 SER HB2 H 1 3.77 . . 2 . . . . . . . . 428 1
15 . 1 1 3 3 SER HB3 H 1 3.85 . . 2 . . . . . . . . 428 1
16 . 1 1 4 4 TYR H H 1 8.2 . . 1 . . . . . . . . 428 1
17 . 1 1 4 4 TYR HA H 1 4.5 . . 1 . . . . . . . . 428 1
18 . 1 1 4 4 TYR HB2 H 1 2.87 . . 2 . . . . . . . . 428 1
19 . 1 1 4 4 TYR HB3 H 1 3.04 . . 2 . . . . . . . . 428 1
20 . 1 1 4 4 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 428 1
21 . 1 1 4 4 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 428 1
22 . 1 1 4 4 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 428 1
23 . 1 1 4 4 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 428 1
24 . 1 1 5 5 GLY H H 1 8.31 . . 1 . . . . . . . . 428 1
25 . 1 1 5 5 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 428 1
26 . 1 1 5 5 GLY HA3 H 1 3.9 . . 2 . . . . . . . . 428 1
27 . 1 1 6 6 TYR H H 1 7.95 . . 1 . . . . . . . . 428 1
28 . 1 1 6 6 TYR HA H 1 4.5 . . 1 . . . . . . . . 428 1
29 . 1 1 6 6 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 428 1
30 . 1 1 6 6 TYR HB3 H 1 3.01 . . 2 . . . . . . . . 428 1
31 . 1 1 6 6 TYR HD1 H 1 7.03 . . 1 . . . . . . . . 428 1
32 . 1 1 6 6 TYR HD2 H 1 7.03 . . 1 . . . . . . . . 428 1
33 . 1 1 6 6 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 428 1
34 . 1 1 6 6 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 428 1
35 . 1 1 7 7 ASP H H 1 8.26 . . 1 . . . . . . . . 428 1
36 . 1 1 7 7 ASP HA H 1 4.58 . . 1 . . . . . . . . 428 1
37 . 1 1 7 7 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 428 1
38 . 1 1 7 7 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 428 1
39 . 1 1 8 8 GLU H H 1 8.9 . . 1 . . . . . . . . 428 1
40 . 1 1 8 8 GLU HA H 1 4.14 . . 1 . . . . . . . . 428 1
41 . 1 1 8 8 GLU HB2 H 1 2 . . 2 . . . . . . . . 428 1
42 . 1 1 8 8 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 428 1
43 . 1 1 8 8 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 428 1
44 . 1 1 8 8 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 428 1
45 . 1 1 9 9 LYS H H 1 8.36 . . 1 . . . . . . . . 428 1
46 . 1 1 9 9 LYS HA H 1 4.26 . . 1 . . . . . . . . 428 1
47 . 1 1 9 9 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 428 1
48 . 1 1 9 9 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 428 1
49 . 1 1 9 9 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 428 1
50 . 1 1 9 9 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 428 1
51 . 1 1 9 9 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 428 1
52 . 1 1 9 9 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 428 1
53 . 1 1 9 9 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 428 1
54 . 1 1 9 9 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 428 1
55 . 1 1 10 10 SER H H 1 8.06 . . 1 . . . . . . . . 428 1
56 . 1 1 10 10 SER HA H 1 4.4 . . 1 . . . . . . . . 428 1
57 . 1 1 10 10 SER HB2 H 1 3.72 . . 2 . . . . . . . . 428 1
58 . 1 1 10 10 SER HB3 H 1 3.91 . . 2 . . . . . . . . 428 1
59 . 1 1 11 11 THR H H 1 7.9 . . 1 . . . . . . . . 428 1
60 . 1 1 11 11 THR HA H 1 4.27 . . 1 . . . . . . . . 428 1
61 . 1 1 11 11 THR HB H 1 4.24 . . 1 . . . . . . . . 428 1
62 . 1 1 11 11 THR HG21 H 1 1.22 . . 1 . . . . . . . . 428 1
63 . 1 1 11 11 THR HG22 H 1 1.22 . . 1 . . . . . . . . 428 1
64 . 1 1 11 11 THR HG23 H 1 1.22 . . 1 . . . . . . . . 428 1
65 . 1 1 12 12 GLY H H 1 8.26 . . 1 . . . . . . . . 428 1
66 . 1 1 12 12 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 428 1
67 . 1 1 12 12 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 428 1
68 . 1 1 13 13 ILE H H 1 7.85 . . 1 . . . . . . . . 428 1
69 . 1 1 13 13 ILE HA H 1 4.22 . . 1 . . . . . . . . 428 1
70 . 1 1 13 13 ILE HB H 1 1.82 . . 1 . . . . . . . . 428 1
71 . 1 1 13 13 ILE HG12 H 1 1.12 . . 2 . . . . . . . . 428 1
72 . 1 1 13 13 ILE HG13 H 1 1.45 . . 2 . . . . . . . . 428 1
73 . 1 1 13 13 ILE HG21 H 1 .87 . . 1 . . . . . . . . 428 1
74 . 1 1 13 13 ILE HG22 H 1 .87 . . 1 . . . . . . . . 428 1
75 . 1 1 13 13 ILE HG23 H 1 .87 . . 1 . . . . . . . . 428 1
76 . 1 1 13 13 ILE HD11 H 1 .84 . . 1 . . . . . . . . 428 1
77 . 1 1 13 13 ILE HD12 H 1 .84 . . 1 . . . . . . . . 428 1
78 . 1 1 13 13 ILE HD13 H 1 .84 . . 1 . . . . . . . . 428 1
79 . 1 1 14 14 SER H H 1 8.21 . . 1 . . . . . . . . 428 1
80 . 1 1 14 14 SER HA H 1 4.5 . . 1 . . . . . . . . 428 1
81 . 1 1 14 14 SER HB2 H 1 3.76 . . 1 . . . . . . . . 428 1
82 . 1 1 14 14 SER HB3 H 1 3.76 . . 1 . . . . . . . . 428 1
83 . 1 1 15 15 VAL H H 1 8.06 . . 1 . . . . . . . . 428 1
84 . 1 1 15 15 VAL HA H 1 4.46 . . 1 . . . . . . . . 428 1
85 . 1 1 15 15 VAL HB H 1 2.08 . . 1 . . . . . . . . 428 1
86 . 1 1 15 15 VAL HG11 H 1 .92 . . 2 . . . . . . . . 428 1
87 . 1 1 15 15 VAL HG12 H 1 .92 . . 2 . . . . . . . . 428 1
88 . 1 1 15 15 VAL HG13 H 1 .92 . . 2 . . . . . . . . 428 1
89 . 1 1 15 15 VAL HG21 H 1 .97 . . 2 . . . . . . . . 428 1
90 . 1 1 15 15 VAL HG22 H 1 .97 . . 2 . . . . . . . . 428 1
91 . 1 1 15 15 VAL HG23 H 1 .97 . . 2 . . . . . . . . 428 1
92 . 1 1 16 16 PRO HA H 1 4.41 . . 1 . . . . . . . . 428 1
93 . 1 1 16 16 PRO HB2 H 1 1.98 . . 2 . . . . . . . . 428 1
94 . 1 1 16 16 PRO HB3 H 1 2.2 . . 2 . . . . . . . . 428 1
95 . 1 1 16 16 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 428 1
96 . 1 1 16 16 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 428 1
97 . 1 1 16 16 PRO HD2 H 1 3.81 . . 2 . . . . . . . . 428 1
98 . 1 1 16 16 PRO HD3 H 1 3.67 . . 2 . . . . . . . . 428 1
99 . 1 1 17 17 GLY H H 1 8.1 . . 1 . . . . . . . . 428 1
100 . 1 1 17 17 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 428 1
101 . 1 1 17 17 GLY HA3 H 1 4.2 . . 2 . . . . . . . . 428 1
102 . 1 1 18 18 PRO HA H 1 4.42 . . 1 . . . . . . . . 428 1
103 . 1 1 18 18 PRO HB2 H 1 1.98 . . 2 . . . . . . . . 428 1
104 . 1 1 18 18 PRO HB3 H 1 2.23 . . 2 . . . . . . . . 428 1
105 . 1 1 18 18 PRO HG2 H 1 2 . . 1 . . . . . . . . 428 1
106 . 1 1 18 18 PRO HG3 H 1 2 . . 1 . . . . . . . . 428 1
107 . 1 1 18 18 PRO HD2 H 1 3.57 . . 2 . . . . . . . . 428 1
108 . 1 1 18 18 PRO HD3 H 1 3.62 . . 2 . . . . . . . . 428 1
109 . 1 1 19 19 MET H H 1 7.76 . . 1 . . . . . . . . 428 1
110 . 1 1 19 19 MET HA H 1 4.27 . . 1 . . . . . . . . 428 1
111 . 1 1 19 19 MET HB2 H 1 1.89 . . 2 . . . . . . . . 428 1
112 . 1 1 19 19 MET HB3 H 1 2.07 . . 2 . . . . . . . . 428 1
113 . 1 1 19 19 MET HG2 H 1 2.51 . . 1 . . . . . . . . 428 1
114 . 1 1 19 19 MET HG3 H 1 2.51 . . 1 . . . . . . . . 428 1
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save_