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 1562
_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 . 1562 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 THR HB H 1 4.35 . . 1 . . . . . . . . 1562 1
2 . 1 1 1 1 THR HG21 H 1 1.47 . . 1 . . . . . . . . 1562 1
3 . 1 1 1 1 THR HG22 H 1 1.47 . . 1 . . . . . . . . 1562 1
4 . 1 1 1 1 THR HG23 H 1 1.47 . . 1 . . . . . . . . 1562 1
5 . 1 1 2 2 PRO HB2 H 1 2.06 . . 2 . . . . . . . . 1562 1
6 . 1 1 2 2 PRO HB3 H 1 2.54 . . 2 . . . . . . . . 1562 1
7 . 1 1 2 2 PRO HG2 H 1 2.19 . . 1 . . . . . . . . 1562 1
8 . 1 1 2 2 PRO HG3 H 1 2.19 . . 1 . . . . . . . . 1562 1
9 . 1 1 2 2 PRO HD2 H 1 3.95 . . 1 . . . . . . . . 1562 1
10 . 1 1 2 2 PRO HD3 H 1 3.95 . . 1 . . . . . . . . 1562 1
11 . 1 1 3 3 LEU H H 1 8.4 . . 1 . . . . . . . . 1562 1
12 . 1 1 3 3 LEU HA H 1 4.04 . . 1 . . . . . . . . 1562 1
13 . 1 1 3 3 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 1562 1
14 . 1 1 3 3 LEU HB3 H 1 1.95 . . 2 . . . . . . . . 1562 1
15 . 1 1 3 3 LEU HG H 1 1.77 . . 1 . . . . . . . . 1562 1
16 . 1 1 3 3 LEU HD11 H 1 .95 . . 2 . . . . . . . . 1562 1
17 . 1 1 3 3 LEU HD12 H 1 .95 . . 2 . . . . . . . . 1562 1
18 . 1 1 3 3 LEU HD13 H 1 .95 . . 2 . . . . . . . . 1562 1
19 . 1 1 3 3 LEU HD21 H 1 .97 . . 2 . . . . . . . . 1562 1
20 . 1 1 3 3 LEU HD22 H 1 .97 . . 2 . . . . . . . . 1562 1
21 . 1 1 3 3 LEU HD23 H 1 .97 . . 2 . . . . . . . . 1562 1
22 . 1 1 4 4 VAL H H 1 7.82 . . 1 . . . . . . . . 1562 1
23 . 1 1 4 4 VAL HA H 1 3.74 . . 1 . . . . . . . . 1562 1
24 . 1 1 4 4 VAL HB H 1 2.19 . . 1 . . . . . . . . 1562 1
25 . 1 1 4 4 VAL HG11 H 1 1.12 . . 1 . . . . . . . . 1562 1
26 . 1 1 4 4 VAL HG12 H 1 1.12 . . 1 . . . . . . . . 1562 1
27 . 1 1 4 4 VAL HG13 H 1 1.12 . . 1 . . . . . . . . 1562 1
28 . 1 1 4 4 VAL HG21 H 1 1.12 . . 1 . . . . . . . . 1562 1
29 . 1 1 4 4 VAL HG22 H 1 1.12 . . 1 . . . . . . . . 1562 1
30 . 1 1 4 4 VAL HG23 H 1 1.12 . . 1 . . . . . . . . 1562 1
31 . 1 1 5 5 THR H H 1 7.47 . . 1 . . . . . . . . 1562 1
32 . 1 1 5 5 THR HA H 1 3.97 . . 1 . . . . . . . . 1562 1
33 . 1 1 5 5 THR HB H 1 4.23 . . 1 . . . . . . . . 1562 1
34 . 1 1 5 5 THR HG21 H 1 1.27 . . 1 . . . . . . . . 1562 1
35 . 1 1 5 5 THR HG22 H 1 1.27 . . 1 . . . . . . . . 1562 1
36 . 1 1 5 5 THR HG23 H 1 1.27 . . 1 . . . . . . . . 1562 1
37 . 1 1 6 6 LEU H H 1 7.81 . . 1 . . . . . . . . 1562 1
38 . 1 1 6 6 LEU HA H 1 4.1 . . 1 . . . . . . . . 1562 1
39 . 1 1 6 6 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 1562 1
40 . 1 1 6 6 LEU HB3 H 1 1.9 . . 2 . . . . . . . . 1562 1
41 . 1 1 6 6 LEU HD11 H 1 .89 . . 2 . . . . . . . . 1562 1
42 . 1 1 6 6 LEU HD12 H 1 .89 . . 2 . . . . . . . . 1562 1
43 . 1 1 6 6 LEU HD13 H 1 .89 . . 2 . . . . . . . . 1562 1
44 . 1 1 6 6 LEU HD21 H 1 .94 . . 2 . . . . . . . . 1562 1
45 . 1 1 6 6 LEU HD22 H 1 .94 . . 2 . . . . . . . . 1562 1
46 . 1 1 6 6 LEU HD23 H 1 .94 . . 2 . . . . . . . . 1562 1
47 . 1 1 7 7 PHE H H 1 8.15 . . 1 . . . . . . . . 1562 1
48 . 1 1 7 7 PHE HA H 1 4.25 . . 1 . . . . . . . . 1562 1
49 . 1 1 7 7 PHE HB2 H 1 3.2 . . 1 . . . . . . . . 1562 1
50 . 1 1 7 7 PHE HB3 H 1 3.2 . . 1 . . . . . . . . 1562 1
51 . 1 1 7 7 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 1562 1
52 . 1 1 7 7 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 1562 1
53 . 1 1 7 7 PHE HE1 H 1 7.22 . . 1 . . . . . . . . 1562 1
54 . 1 1 7 7 PHE HE2 H 1 7.22 . . 1 . . . . . . . . 1562 1
55 . 1 1 7 7 PHE HZ H 1 7.22 . . 1 . . . . . . . . 1562 1
56 . 1 1 8 8 LYS H H 1 8.45 . . 1 . . . . . . . . 1562 1
57 . 1 1 8 8 LYS HA H 1 3.85 . . 1 . . . . . . . . 1562 1
58 . 1 1 8 8 LYS HB2 H 1 2.05 . . 1 . . . . . . . . 1562 1
59 . 1 1 8 8 LYS HB3 H 1 2.05 . . 1 . . . . . . . . 1562 1
60 . 1 1 8 8 LYS HD2 H 1 1.78 . . 2 . . . . . . . . 1562 1
61 . 1 1 8 8 LYS HD3 H 1 1.72 . . 2 . . . . . . . . 1562 1
62 . 1 1 8 8 LYS HE2 H 1 2.85 . . 2 . . . . . . . . 1562 1
63 . 1 1 8 8 LYS HE3 H 1 2.97 . . 2 . . . . . . . . 1562 1
64 . 1 1 8 8 LYS HZ1 H 1 7.47 . . 1 . . . . . . . . 1562 1
65 . 1 1 8 8 LYS HZ2 H 1 7.47 . . 1 . . . . . . . . 1562 1
66 . 1 1 8 8 LYS HZ3 H 1 7.47 . . 1 . . . . . . . . 1562 1
67 . 1 1 9 9 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 1562 1
68 . 1 1 9 9 ASN HB3 H 1 2.98 . . 2 . . . . . . . . 1562 1
69 . 1 1 10 10 ALA H H 1 7.96 . . 1 . . . . . . . . 1562 1
70 . 1 1 10 10 ALA HA H 1 4.22 . . 1 . . . . . . . . 1562 1
71 . 1 1 10 10 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 1562 1
72 . 1 1 10 10 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 1562 1
73 . 1 1 10 10 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 1562 1
74 . 1 1 11 11 ILE H H 1 7.75 . . 1 . . . . . . . . 1562 1
75 . 1 1 11 11 ILE HA H 1 3.94 . . 1 . . . . . . . . 1562 1
76 . 1 1 11 11 ILE HB H 1 1.93 . . 1 . . . . . . . . 1562 1
77 . 1 1 11 11 ILE HG12 H 1 1.16 . . 2 . . . . . . . . 1562 1
78 . 1 1 11 11 ILE HG13 H 1 1.53 . . 2 . . . . . . . . 1562 1
79 . 1 1 11 11 ILE HG21 H 1 .87 . . 1 . . . . . . . . 1562 1
80 . 1 1 11 11 ILE HG22 H 1 .87 . . 1 . . . . . . . . 1562 1
81 . 1 1 11 11 ILE HG23 H 1 .87 . . 1 . . . . . . . . 1562 1
82 . 1 1 11 11 ILE HD11 H 1 .75 . . 1 . . . . . . . . 1562 1
83 . 1 1 11 11 ILE HD12 H 1 .75 . . 1 . . . . . . . . 1562 1
84 . 1 1 11 11 ILE HD13 H 1 .75 . . 1 . . . . . . . . 1562 1
85 . 1 1 12 12 ILE H H 1 7.84 . . 1 . . . . . . . . 1562 1
86 . 1 1 12 12 ILE HA H 1 3.97 . . 1 . . . . . . . . 1562 1
87 . 1 1 12 12 ILE HB H 1 2.03 . . 1 . . . . . . . . 1562 1
88 . 1 1 12 12 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 1562 1
89 . 1 1 12 12 ILE HG13 H 1 1.62 . . 2 . . . . . . . . 1562 1
90 . 1 1 12 12 ILE HG21 H 1 .99 . . 1 . . . . . . . . 1562 1
91 . 1 1 12 12 ILE HG22 H 1 .99 . . 1 . . . . . . . . 1562 1
92 . 1 1 12 12 ILE HG23 H 1 .99 . . 1 . . . . . . . . 1562 1
93 . 1 1 12 12 ILE HD11 H 1 .92 . . 1 . . . . . . . . 1562 1
94 . 1 1 12 12 ILE HD12 H 1 .92 . . 1 . . . . . . . . 1562 1
95 . 1 1 12 12 ILE HD13 H 1 .92 . . 1 . . . . . . . . 1562 1
96 . 1 1 13 13 LYS H H 1 7.84 . . 1 . . . . . . . . 1562 1
97 . 1 1 13 13 LYS HA H 1 4.22 . . 1 . . . . . . . . 1562 1
98 . 1 1 13 13 LYS HB2 H 1 1.9 . . 1 . . . . . . . . 1562 1
99 . 1 1 13 13 LYS HB3 H 1 1.9 . . 1 . . . . . . . . 1562 1
100 . 1 1 13 13 LYS HD2 H 1 1.78 . . 2 . . . . . . . . 1562 1
101 . 1 1 13 13 LYS HD3 H 1 1.72 . . 2 . . . . . . . . 1562 1
102 . 1 1 13 13 LYS HE2 H 1 2.85 . . 2 . . . . . . . . 1562 1
103 . 1 1 13 13 LYS HE3 H 1 2.97 . . 2 . . . . . . . . 1562 1
104 . 1 1 13 13 LYS HZ1 H 1 7.39 . . 1 . . . . . . . . 1562 1
105 . 1 1 13 13 LYS HZ2 H 1 7.39 . . 1 . . . . . . . . 1562 1
106 . 1 1 13 13 LYS HZ3 H 1 7.39 . . 1 . . . . . . . . 1562 1
107 . 1 1 14 14 ASN H H 1 7.8 . . 1 . . . . . . . . 1562 1
108 . 1 1 14 14 ASN HA H 1 4.81 . . 1 . . . . . . . . 1562 1
109 . 1 1 14 14 ASN HB2 H 1 2.69 . . 2 . . . . . . . . 1562 1
110 . 1 1 14 14 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 1562 1
111 . 1 1 15 15 ALA H H 1 7.84 . . 1 . . . . . . . . 1562 1
112 . 1 1 15 15 ALA HA H 1 4.35 . . 1 . . . . . . . . 1562 1
113 . 1 1 15 15 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 1562 1
114 . 1 1 15 15 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 1562 1
115 . 1 1 15 15 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 1562 1
stop_
save_