Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36745
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36745 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36745 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 36745 1
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 VAL HA H 1 3.892 0.0000 . 1 . . . . A 1 VAL HA . 36745 1
2 . 1 . 1 1 1 VAL HB H 1 2.262 0.0000 . 1 . . . . A 1 VAL HB . 36745 1
3 . 1 . 1 2 2 ALA H H 1 8.456 0.0006 . 1 . . . . A 2 ALA H . 36745 1
4 . 1 . 1 2 2 ALA HA H 1 4.534 0.0055 . 1 . . . . A 2 ALA HA . 36745 1
5 . 1 . 1 2 2 ALA HB1 H 1 1.402 0.0000 . 1 . . . . A 2 ALA HB1 . 36745 1
6 . 1 . 1 2 2 ALA HB2 H 1 1.402 0.0000 . 1 . . . . A 2 ALA HB2 . 36745 1
7 . 1 . 1 2 2 ALA HB3 H 1 1.402 0.0000 . 1 . . . . A 2 ALA HB3 . 36745 1
8 . 1 . 1 3 3 ILE H H 1 7.815 0.0022 . 1 . . . . A 3 ILE H . 36745 1
9 . 1 . 1 3 3 ILE HA H 1 4.055 0.0010 . 1 . . . . A 3 ILE HA . 36745 1
10 . 1 . 1 3 3 ILE HB H 1 1.879 0.0090 . 4 1 . . . A 3 ILE HB . 36745 1
11 . 1 . 1 3 3 ILE HD11 H 1 0.8897 0.0062 . 4 1 . . . A 3 ILE HD11 . 36745 1
12 . 1 . 1 3 3 ILE HD12 H 1 0.8897 0.0062 . 4 1 . . . A 3 ILE HD12 . 36745 1
13 . 1 . 1 3 3 ILE HD13 H 1 0.8897 0.0062 . 4 1 . . . A 3 ILE HD13 . 36745 1
14 . 1 . 1 3 3 ILE HG12 H 1 1.518 0.0020 . 2 . . . . A 3 ILE HG12 . 36745 1
15 . 1 . 1 3 3 ILE HG13 H 1 1.518 0.0020 . 2 . . . . A 3 ILE HG13 . 36745 1
16 . 1 . 1 3 3 ILE HG21 H 1 1.171 0.0000 . 4 1 . . . A 3 ILE HG21 . 36745 1
17 . 1 . 1 3 3 ILE HG22 H 1 1.171 0.0000 . 4 1 . . . A 3 ILE HG22 . 36745 1
18 . 1 . 1 3 3 ILE HG23 H 1 1.171 0.0000 . 4 1 . . . A 3 ILE HG23 . 36745 1
19 . 1 . 1 4 4 ALA H H 1 8.038 0.0026 . 1 . . . . A 4 ALA H . 36745 1
20 . 1 . 1 4 4 ALA HA H 1 4.286 0.0025 . 1 . . . . A 4 ALA HA . 36745 1
21 . 1 . 1 4 4 ALA HB1 H 1 1.390 0.0189 . 1 . . . . A 4 ALA HB1 . 36745 1
22 . 1 . 1 4 4 ALA HB2 H 1 1.390 0.0189 . 1 . . . . A 4 ALA HB2 . 36745 1
23 . 1 . 1 4 4 ALA HB3 H 1 1.390 0.0189 . 1 . . . . A 4 ALA HB3 . 36745 1
24 . 1 . 1 5 5 LEU H H 1 7.664 0.0010 . 1 . . . . A 5 LEU H . 36745 1
25 . 1 . 1 5 5 LEU HA H 1 4.192 0.0083 . 1 . . . . A 5 LEU HA . 36745 1
26 . 1 . 1 5 5 LEU HB2 H 1 1.680 0.0105 . 1 . . . . A 5 LEU HB2 . 36745 1
27 . 1 . 1 5 5 LEU HB3 H 1 1.606 0.0128 . 1 . . . . A 5 LEU HB3 . 36745 1
28 . 1 . 1 5 5 LEU HD11 H 1 0.9015 0.0005 . 2 . . . . A 5 LEU HD11 . 36745 1
29 . 1 . 1 5 5 LEU HD12 H 1 0.9015 0.0005 . 2 . . . . A 5 LEU HD12 . 36745 1
30 . 1 . 1 5 5 LEU HD13 H 1 0.9015 0.0005 . 2 . . . . A 5 LEU HD13 . 36745 1
31 . 1 . 1 5 5 LEU HD21 H 1 0.9015 0.0005 . 2 . . . . A 5 LEU HD21 . 36745 1
32 . 1 . 1 5 5 LEU HD22 H 1 0.9015 0.0005 . 2 . . . . A 5 LEU HD22 . 36745 1
33 . 1 . 1 5 5 LEU HD23 H 1 0.9015 0.0005 . 2 . . . . A 5 LEU HD23 . 36745 1
34 . 1 . 1 6 6 LYS H H 1 7.933 0.0015 . 1 . . . . A 6 LYS H . 36745 1
35 . 1 . 1 6 6 LYS HA H 1 4.126 0.0125 . 1 . . . . A 6 LYS HA . 36745 1
36 . 1 . 1 6 6 LYS HB2 H 1 1.858 0.0020 . 2 . . . . A 6 LYS HB2 . 36745 1
37 . 1 . 1 6 6 LYS HB3 H 1 1.858 0.0020 . 2 . . . . A 6 LYS HB3 . 36745 1
38 . 1 . 1 6 6 LYS HD2 H 1 1.688 0.0000 . 2 . . . . A 6 LYS HD2 . 36745 1
39 . 1 . 1 6 6 LYS HD3 H 1 1.688 0.0000 . 2 . . . . A 6 LYS HD3 . 36745 1
40 . 1 . 1 6 6 LYS HG2 H 1 1.517 0.0050 . 2 . . . . A 6 LYS HG2 . 36745 1
41 . 1 . 1 6 6 LYS HG3 H 1 1.517 0.0050 . 2 . . . . A 6 LYS HG3 . 36745 1
42 . 1 . 1 7 7 ALA H H 1 7.828 0.0606 . 1 . . . . A 7 ALA H . 36745 1
43 . 1 . 1 7 7 ALA HA H 1 4.156 0.0025 . 1 . . . . A 7 ALA HA . 36745 1
44 . 1 . 1 7 7 ALA HB1 H 1 1.457 0.2956 . 1 . . . . A 7 ALA HB1 . 36745 1
45 . 1 . 1 7 7 ALA HB2 H 1 1.457 0.2956 . 1 . . . . A 7 ALA HB2 . 36745 1
46 . 1 . 1 7 7 ALA HB3 H 1 1.457 0.2956 . 1 . . . . A 7 ALA HB3 . 36745 1
47 . 1 . 1 8 8 ALA H H 1 7.995 0.0161 . 1 . . . . A 8 ALA H . 36745 1
48 . 1 . 1 8 8 ALA HA H 1 4.226 0.0115 . 1 . . . . A 8 ALA HA . 36745 1
49 . 1 . 1 8 8 ALA HB1 H 1 1.380 0.0103 . 1 . . . . A 8 ALA HB1 . 36745 1
50 . 1 . 1 8 8 ALA HB2 H 1 1.380 0.0103 . 1 . . . . A 8 ALA HB2 . 36745 1
51 . 1 . 1 8 8 ALA HB3 H 1 1.380 0.0103 . 1 . . . . A 8 ALA HB3 . 36745 1
52 . 1 . 1 9 9 HIS H H 1 8.222 0.0008 . 1 . . . . A 9 HIS H . 36745 1
53 . 1 . 1 9 9 HIS HA H 1 4.648 0.0102 . 1 . . . . A 9 HIS HA . 36745 1
54 . 1 . 1 9 9 HIS HB2 H 1 3.297 0.0000 . 1 . . . . A 9 HIS HB2 . 36745 1
55 . 1 . 1 9 9 HIS HB3 H 1 3.163 0.0050 . 1 . . . . A 9 HIS HB3 . 36745 1
56 . 1 . 1 10 10 TYR H H 1 7.924 0.0017 . 1 . . . . A 10 TYR H . 36745 1
57 . 1 . 1 10 10 TYR HA H 1 4.398 0.0005 . 1 . . . . A 10 TYR HA . 36745 1
58 . 1 . 1 10 10 TYR HB2 H 1 2.995 0.0077 . 2 . . . . A 10 TYR HB2 . 36745 1
59 . 1 . 1 10 10 TYR HB3 H 1 2.995 0.0077 . 2 . . . . A 10 TYR HB3 . 36745 1
60 . 1 . 1 10 10 TYR HD1 H 1 7.042 0.0051 . 1 . . . . A 10 TYR HD1 . 36745 1
61 . 1 . 1 10 10 TYR HE1 H 1 6.763 0.0062 . 1 . . . . A 10 TYR HE1 . 36745 1
62 . 1 . 1 11 11 HIS H H 1 8.002 0.0086 . 1 . . . . A 11 HIS H . 36745 1
63 . 1 . 1 11 11 HIS HA H 1 4.585 0.0195 . 1 . . . . A 11 HIS HA . 36745 1
64 . 1 . 1 11 11 HIS HB2 H 1 3.269 0.0221 . 1 . . . . A 11 HIS HB2 . 36745 1
65 . 1 . 1 11 11 HIS HB3 H 1 3.139 0.0145 . 1 . . . . A 11 HIS HB3 . 36745 1
66 . 1 . 1 12 12 THR H H 1 7.883 0.0181 . 1 . . . . A 12 THR H . 36745 1
67 . 1 . 1 12 12 THR HA H 1 4.184 0.0240 . 1 . . . . A 12 THR HA . 36745 1
68 . 1 . 1 12 12 THR HB H 1 4.120 0.0000 . 1 . . . . A 12 THR HB . 36745 1
69 . 1 . 1 12 12 THR HG1 H 1 1.184 0.0020 . 4 2 . . . A 12 THR HG1 . 36745 1
70 . 1 . 1 12 12 THR HG21 H 1 1.184 0.0020 . 4 2 . . . A 12 THR HG21 . 36745 1
71 . 1 . 1 12 12 THR HG22 H 1 1.184 0.0020 . 4 2 . . . A 12 THR HG22 . 36745 1
72 . 1 . 1 12 12 THR HG23 H 1 1.184 0.0020 . 4 2 . . . A 12 THR HG23 . 36745 1
73 . 1 . 1 13 13 HIS H H 1 7.993 0.0057 . 1 . . . . A 13 HIS H . 36745 1
74 . 1 . 1 13 13 HIS HA H 1 4.582 0.0105 . 1 . . . . A 13 HIS HA . 36745 1
75 . 1 . 1 13 13 HIS HB2 H 1 3.259 0.0000 . 1 . . . . A 13 HIS HB2 . 36745 1
76 . 1 . 1 13 13 HIS HB3 H 1 3.159 0.0095 . 1 . . . . A 13 HIS HB3 . 36745 1
77 . 1 . 1 14 14 LYS H H 1 7.928 0.0038 . 1 . . . . A 14 LYS H . 36745 1
78 . 1 . 1 14 14 LYS HA H 1 4.134 0.0000 . 1 . . . . A 14 LYS HA . 36745 1
79 . 1 . 1 14 14 LYS HB2 H 1 1.858 0.0000 . 2 . . . . A 14 LYS HB2 . 36745 1
80 . 1 . 1 14 14 LYS HB3 H 1 1.858 0.0000 . 2 . . . . A 14 LYS HB3 . 36745 1
81 . 1 . 1 14 14 LYS HD2 H 1 1.685 0.0125 . 2 . . . . A 14 LYS HD2 . 36745 1
82 . 1 . 1 14 14 LYS HD3 H 1 1.685 0.0125 . 2 . . . . A 14 LYS HD3 . 36745 1
83 . 1 . 1 14 14 LYS HG2 H 1 1.465 0.0000 . 2 . . . . A 14 LYS HG2 . 36745 1
84 . 1 . 1 14 14 LYS HG3 H 1 1.465 0.0000 . 2 . . . . A 14 LYS HG3 . 36745 1
85 . 1 . 1 15 15 GLU H H 1 7.879 0.0063 . 1 . . . . A 15 GLU H . 36745 1
86 . 1 . 1 15 15 GLU HA H 1 4.216 0.0000 . 1 . . . . A 15 GLU HA . 36745 1
87 . 1 . 1 15 15 GLU HB2 H 1 2.024 0.0000 . 1 . . . . A 15 GLU HB2 . 36745 1
88 . 1 . 1 15 15 GLU HB3 H 1 1.868 0.0000 . 1 . . . . A 15 GLU HB3 . 36745 1
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_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 10 36745 1
1 11 36745 1
1 12 36745 1
1 13 36745 1
1 16 36745 1
1 17 36745 1
1 18 36745 1
2 69 36745 1
2 70 36745 1
2 71 36745 1
2 72 36745 1
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