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 52316
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Assigned_chem_shift_list.Vcom2
_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 .
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_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' . . . 52316 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 . . 52316 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 GLY H H 1 8.720452482 0.000152265 . 1 . . . . . 1 GLY H . 52316 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.200037328 0 . 2 . . . . . 1 GLY HA2 . 52316 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.643544999 0 . 2 . . . . . 1 GLY HA3 . 52316 1
4 . 1 . 1 2 2 ALA H H 1 7.861186036 0 . 1 . . . . . 2 ALA H . 52316 1
5 . 1 . 1 2 2 ALA HA H 1 5.074769331 0 . 1 . . . . . 2 ALA HA . 52316 1
6 . 1 . 1 3 3 PRO HA H 1 5.005305275 0.001078417 . 1 . . . . . 3 PRO HA . 52316 1
7 . 1 . 1 3 3 PRO HD2 H 1 3.832372233 0 . 2 . . . . . 3 PRO HD2 . 52316 1
8 . 1 . 1 3 3 PRO HD3 H 1 3.763651276 0 . 2 . . . . . 3 PRO HD3 . 52316 1
9 . 1 . 1 4 4 VAL H H 1 8.237639494 0 . 1 . . . . . 4 VAL H . 52316 1
10 . 1 . 1 4 4 VAL HA H 1 4.623077194 0 . 1 . . . . . 4 VAL HA . 52316 1
11 . 1 . 1 5 5 CYS H H 1 7.854133831 0 . 1 . . . . . 5 CYS H . 52316 1
12 . 1 . 1 5 5 CYS HA H 1 4.490203115 0 . 1 . . . . . 5 CYS HA . 52316 1
13 . 1 . 1 6 6 GLY H H 1 8.612419014 0 . 1 . . . . . 6 GLY H . 52316 1
14 . 1 . 1 6 6 GLY HA2 H 1 3.818511309 0 . 2 . . . . . 6 GLY HA2 . 52316 1
15 . 1 . 1 6 6 GLY HA3 H 1 3.753806306 0 . 2 . . . . . 6 GLY HA3 . 52316 1
16 . 1 . 1 7 7 GLU H H 1 7.222499251 0 . 1 . . . . . 7 GLU H . 52316 1
17 . 1 . 1 7 7 GLU HA H 1 4.827089988 0 . 1 . . . . . 7 GLU HA . 52316 1
18 . 1 . 1 8 8 THR H H 1 8.448561884 0 . 1 . . . . . 8 THR H . 52316 1
19 . 1 . 1 8 8 THR HA H 1 4.664796405 0 . 1 . . . . . 8 THR HA . 52316 1
20 . 1 . 1 9 9 CYS H H 1 8.422223302 0 . 1 . . . . . 9 CYS H . 52316 1
21 . 1 . 1 9 9 CYS HA H 1 5.068765868 0 . 1 . . . . . 9 CYS HA . 52316 1
22 . 1 . 1 10 10 PHE H H 1 8.623528288 0 . 1 . . . . . 10 PHE H . 52316 1
23 . 1 . 1 10 10 PHE HA H 1 4.06696327 0 . 1 . . . . . 10 PHE HA . 52316 1
24 . 1 . 1 11 11 GLY H H 1 8.536625568 0.000910657 . 1 . . . . . 11 GLY H . 52316 1
25 . 1 . 1 11 11 GLY HA2 H 1 4.457814833 0 . 2 . . . . . 11 GLY HA2 . 52316 1
26 . 1 . 1 11 11 GLY HA3 H 1 3.829864321 0 . 2 . . . . . 11 GLY HA3 . 52316 1
27 . 1 . 1 12 12 GLY H H 1 8.090707948 0.000303552 . 1 . . . . . 12 GLY H . 52316 1
28 . 1 . 1 12 12 GLY HA2 H 1 4.534597229 0 . 2 . . . . . 12 GLY HA2 . 52316 1
29 . 1 . 1 12 12 GLY HA3 H 1 4.024020644 0 . 2 . . . . . 12 GLY HA3 . 52316 1
30 . 1 . 1 13 13 THR H H 1 7.792141353 0 . 1 . . . . . 13 THR H . 52316 1
31 . 1 . 1 13 13 THR HA H 1 4.662420476 0 . 1 . . . . . 13 THR HA . 52316 1
32 . 1 . 1 14 14 CYS H H 1 8.813773258 0 . 1 . . . . . 14 CYS H . 52316 1
33 . 1 . 1 14 14 CYS HA H 1 4.599383612 0 . 1 . . . . . 14 CYS HA . 52316 1
34 . 1 . 1 15 15 ASN H H 1 8.784013878 0 . 1 . . . . . 15 ASN H . 52316 1
35 . 1 . 1 15 15 ASN HA H 1 4.630480383 0 . 1 . . . . . 15 ASN HA . 52316 1
36 . 1 . 1 16 16 THR H H 1 8.044675887 0 . 1 . . . . . 16 THR H . 52316 1
37 . 1 . 1 16 16 THR HA H 1 4.537129506 0 . 1 . . . . . 16 THR HA . 52316 1
38 . 1 . 1 17 17 PRO HA H 1 4.265214122 0.000978116 . 1 . . . . . 17 PRO HA . 52316 1
39 . 1 . 1 17 17 PRO HD2 H 1 4.133648354 0 . 2 . . . . . 17 PRO HD2 . 52316 1
40 . 1 . 1 17 17 PRO HD3 H 1 3.708675159 0 . 2 . . . . . 17 PRO HD3 . 52316 1
41 . 1 . 1 18 18 GLY H H 1 8.792452663 0 . 1 . . . . . 18 GLY H . 52316 1
42 . 1 . 1 18 18 GLY HA2 H 1 4.190918417 0 . 2 . . . . . 18 GLY HA2 . 52316 1
43 . 1 . 1 18 18 GLY HA3 H 1 3.686210529 0 . 2 . . . . . 18 GLY HA3 . 52316 1
44 . 1 . 1 19 19 CYS H H 1 7.734777639 0 . 1 . . . . . 19 CYS H . 52316 1
45 . 1 . 1 19 19 CYS HA H 1 5.180283751 0 . 1 . . . . . 19 CYS HA . 52316 1
46 . 1 . 1 20 20 THR H H 1 9.498916933 0 . 1 . . . . . 20 THR H . 52316 1
47 . 1 . 1 20 20 THR HA H 1 4.577325806 0 . 1 . . . . . 20 THR HA . 52316 1
48 . 1 . 1 21 21 CYS H H 1 8.761094893 0 . 1 . . . . . 21 CYS H . 52316 1
49 . 1 . 1 21 21 CYS HA H 1 4.830983765 0 . 1 . . . . . 21 CYS HA . 52316 1
50 . 1 . 1 22 22 ASP H H 1 8.271817939 0 . 1 . . . . . 22 ASP H . 52316 1
51 . 1 . 1 22 22 ASP HA H 1 5.000324121 0 . 1 . . . . . 22 ASP HA . 52316 1
52 . 1 . 1 23 23 PRO HA H 1 4.938269763 0.000489058 . 1 . . . . . 23 PRO HA . 52316 1
53 . 1 . 1 23 23 PRO HD2 H 1 3.498587754 0 . 2 . . . . . 23 PRO HD2 . 52316 1
54 . 1 . 1 23 23 PRO HD3 H 1 3.446376762 0 . 2 . . . . . 23 PRO HD3 . 52316 1
55 . 1 . 1 24 24 TRP H H 1 8.94787649 0 . 1 . . . . . 24 TRP H . 52316 1
56 . 1 . 1 24 24 TRP HA H 1 4.318523441 0 . 1 . . . . . 24 TRP HA . 52316 1
57 . 1 . 1 25 25 PRO HA H 1 3.530373898 0 . 1 . . . . . 25 PRO HA . 52316 1
58 . 1 . 1 25 25 PRO HD2 H 1 3.531256708 0 . 2 . . . . . 25 PRO HD# . 52316 1
59 . 1 . 1 25 25 PRO HD3 H 1 3.531256708 0 . 2 . . . . . 25 PRO HD# . 52316 1
60 . 1 . 1 26 26 VAL H H 1 9.546975841 0 . 1 . . . . . 26 VAL H . 52316 1
61 . 1 . 1 26 26 VAL HA H 1 3.771942183 0 . 1 . . . . . 26 VAL HA . 52316 1
62 . 1 . 1 27 27 CYS H H 1 7.157066035 0 . 1 . . . . . 27 CYS H . 52316 1
63 . 1 . 1 27 27 CYS HA H 1 5.023679845 0 . 1 . . . . . 27 CYS HA . 52316 1
64 . 1 . 1 28 28 SER H H 1 9.880589482 0 . 1 . . . . . 28 SER H . 52316 1
65 . 1 . 1 28 28 SER HA H 1 5.137572646 0 . 1 . . . . . 28 SER HA . 52316 1
66 . 1 . 1 29 29 LYS H H 1 8.724429404 0 . 1 . . . . . 29 LYS H . 52316 1
67 . 1 . 1 29 29 LYS HA H 1 4.83631561 0 . 1 . . . . . 29 LYS HA . 52316 1
68 . 1 . 1 30 30 ASN H H 1 9.582648572 0 . 1 . . . . . 30 ASN H . 52316 1
69 . 1 . 1 30 30 ASN HA H 1 4.381436685 0 . 1 . . . . . 30 ASN HA . 52316 1
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