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 36682
_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 NOESY' 1 $sample_1 isotropic 36682 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36682 1
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loop_
_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 G H1' H 1 5.703 0.001 . 1 . . . . A 1 G H1' . 36682 1
2 . 1 . 1 1 1 G H8 H 1 7.981 0.000 . 1 . . . . A 1 G H8 . 36682 1
3 . 1 . 1 2 2 G H1 H 1 12.480 0.0009 . 1 . . . . A 2 G H1 . 36682 1
4 . 1 . 1 2 2 G H1' H 1 5.870 0.0055 . 1 . . . . A 2 G H1' . 36682 1
5 . 1 . 1 2 2 G H8 H 1 7.442 0.0012 . 1 . . . . A 2 G H8 . 36682 1
6 . 1 . 1 3 3 A H1' H 1 5.996 0.005 . 1 . . . . A 3 A H1' . 36682 1
7 . 1 . 1 3 3 A H2 H 1 7.775 0.0015 . 1 . . . . A 3 A H2 . 36682 1
8 . 1 . 1 3 3 A H8 H 1 7.797 0.0085 . 1 . . . . A 3 A H8 . 36682 1
9 . 1 . 1 4 4 U H1' H 1 5.717 0.0055 . 1 . . . . A 4 U H1' . 36682 1
10 . 1 . 1 4 4 U H2' H 1 4.343 0.000 . 1 . . . . A 4 U H2' . 36682 1
11 . 1 . 1 4 4 U H3 H 1 13.260 0.0006 . 1 . . . . A 4 U H3 . 36682 1
12 . 1 . 1 4 4 U H5 H 1 5.159 0.0045 . 1 . . . . A 4 U H5 . 36682 1
13 . 1 . 1 4 4 U H6 H 1 7.512 0.0048 . 1 . . . . A 4 U H6 . 36682 1
14 . 1 . 1 5 5 A H1' H 1 5.819 0.0009 . 1 . . . . A 5 A H1' . 36682 1
15 . 1 . 1 5 5 A H2 H 1 7.273 0.003 . 1 . . . . A 5 A H2 . 36682 1
16 . 1 . 1 5 5 A H8 H 1 8.204 0.000 . 1 . . . . A 5 A H8 . 36682 1
17 . 1 . 1 6 6 C H1' H 1 5.293 0.001 . 1 . . . . A 6 C H1' . 36682 1
18 . 1 . 1 6 6 C H5 H 1 5.120 0.0005 . 1 . . . . A 6 C H5 . 36682 1
19 . 1 . 1 6 6 C H6 H 1 7.364 0.0033 . 1 . . . . A 6 C H6 . 36682 1
20 . 1 . 1 6 6 C H41 H 1 8.331 0.0015 . 1 . . . . A 6 C H41 . 36682 1
21 . 1 . 1 6 6 C H42 H 1 6.726 0.0018 . 1 . . . . A 6 C H42 . 36682 1
22 . 1 . 1 7 7 U H1' H 1 5.517 0.000 . 1 . . . . A 7 U H1' . 36682 1
23 . 1 . 1 7 7 U H3 H 1 14.240 0.0024 . 1 . . . . A 7 U H3 . 36682 1
24 . 1 . 1 7 7 U H5 H 1 5.294 0.003 . 1 . . . . A 7 U H5 . 36682 1
25 . 1 . 1 7 7 U H6 H 1 7.705 0.0025 . 1 . . . . A 7 U H6 . 36682 1
26 . 1 . 1 8 8 U H1' H 1 5.272 0.0039 . 1 . . . . A 8 U H1' . 36682 1
27 . 1 . 1 8 8 U H2' H 1 3.709 0.001 . 1 . . . . A 8 U H2' . 36682 1
28 . 1 . 1 8 8 U H5 H 1 5.793 0.0054 . 1 . . . . A 8 U H5 . 36682 1
29 . 1 . 1 8 8 U H6 H 1 7.745 0.0025 . 1 . . . . A 8 U H6 . 36682 1
30 . 1 . 1 8 8 U HO2' H 1 6.558 0.000 . 1 . . . . A 8 U HO2' . 36682 1
31 . 1 . 1 9 9 U H1' H 1 6.077 0.000 . 1 . . . . A 9 U H1' . 36682 1
32 . 1 . 1 9 9 U H5 H 1 5.838 0.0045 . 1 . . . . A 9 U H5 . 36682 1
33 . 1 . 1 9 9 U H6 H 1 7.982 0.0031 . 1 . . . . A 9 U H6 . 36682 1
34 . 1 . 1 10 10 C H1' H 1 5.892 0.000 . 1 . . . . A 10 C H1' . 36682 1
35 . 1 . 1 10 10 C H4' H 1 3.711 0.001 . 1 . . . . A 10 C H4' . 36682 1
36 . 1 . 1 10 10 C H5 H 1 6.091 0.0026 . 1 . . . . A 10 C H5 . 36682 1
37 . 1 . 1 10 10 C H5' H 1 3.575 0.0021 . 1 . . . . A 10 C H5' . 36682 1
38 . 1 . 1 10 10 C H5'' H 1 2.662 0.002 . 1 . . . . A 10 C H5'' . 36682 1
39 . 1 . 1 10 10 C H6 H 1 7.645 0.0027 . 1 . . . . A 10 C H6 . 36682 1
40 . 1 . 1 10 10 C H41 H 1 7.116 0.0012 . 1 . . . . A 10 C H41 . 36682 1
41 . 1 . 1 10 10 C H42 H 1 6.348 0.000 . 1 . . . . A 10 C H42 . 36682 1
42 . 1 . 1 11 11 G H1' H 1 5.940 0.000 . 1 . . . . A 11 G H1' . 36682 1
43 . 1 . 1 11 11 G H8 H 1 7.846 0.0005 . 1 . . . . A 11 G H8 . 36682 1
44 . 1 . 1 12 12 A H1' H 1 5.665 0.0065 . 1 . . . . A 13 A H1' . 36682 1
45 . 1 . 1 12 12 A H2 H 1 7.440 0.0005 . 1 . . . . A 13 A H2 . 36682 1
46 . 1 . 1 12 12 A H8 H 1 8.621 0.000 . 1 . . . . A 13 A H8 . 36682 1
47 . 1 . 1 13 13 G H1 H 1 13.160 0.0008 . 1 . . . . A 14 G H1 . 36682 1
48 . 1 . 1 13 13 G H1' H 1 5.700 0.000 . 1 . . . . A 14 G H1' . 36682 1
49 . 1 . 1 13 13 G H8 H 1 7.193 0.0008 . 1 . . . . A 14 G H8 . 36682 1
50 . 1 . 1 14 14 U H3 H 1 13.690 0.000 . 1 . . . . A 15 U H3 . 36682 1
51 . 1 . 1 14 14 U H5 H 1 5.150 0.0017 . 1 . . . . A 15 U H5 . 36682 1
52 . 1 . 1 14 14 U H6 H 1 7.440 0.0042 . 1 . . . . A 15 U H6 . 36682 1
53 . 1 . 1 15 15 C H1' H 1 6.259 0.0004 . 1 . . . . A 16 C H1' . 36682 1
54 . 1 . 1 15 15 C H5 H 1 6.132 0.0019 . 1 . . . . A 16 C H5 . 36682 1
55 . 1 . 1 15 15 C H6 H 1 7.982 0.0021 . 1 . . . . A 16 C H6 . 36682 1
56 . 1 . 1 16 16 A H1' H 1 5.617 0.0012 . 1 . . . . A 17 A H1' . 36682 1
57 . 1 . 1 16 16 A H2 H 1 7.384 0.0026 . 1 . . . . A 17 A H2 . 36682 1
58 . 1 . 1 16 16 A H8 H 1 8.342 0.000 . 1 . . . . A 17 A H8 . 36682 1
59 . 1 . 1 17 17 U H1' H 1 5.552 0.000 . 1 . . . . A 18 U H1' . 36682 1
60 . 1 . 1 17 17 U H3 H 1 14.230 0.0038 . 1 . . . . A 18 U H3 . 36682 1
61 . 1 . 1 17 17 U H5 H 1 4.965 0.0037 . 1 . . . . A 18 U H5 . 36682 1
62 . 1 . 1 17 17 U H6 H 1 7.634 0.0025 . 1 . . . . A 18 U H6 . 36682 1
63 . 1 . 1 18 18 C H1' H 1 5.567 0.0005 . 1 . . . . A 19 C H1' . 36682 1
64 . 1 . 1 18 18 C H5 H 1 5.569 0.0041 . 1 . . . . A 19 C H5 . 36682 1
65 . 1 . 1 18 18 C H6 H 1 7.836 0.0029 . 1 . . . . A 19 C H6 . 36682 1
66 . 1 . 1 18 18 C H41 H 1 8.370 0.0033 . 1 . . . . A 19 C H41 . 36682 1
67 . 1 . 1 18 18 C H42 H 1 6.940 0.001 . 1 . . . . A 19 C H42 . 36682 1
68 . 1 . 1 19 19 C H1' H 1 5.677 0.000 . 1 . . . . A 20 C H1' . 36682 1
69 . 1 . 1 19 19 C H5 H 1 5.465 0.0022 . 1 . . . . A 20 C H5 . 36682 1
70 . 1 . 1 19 19 C H6 H 1 7.640 0.0032 . 1 . . . . A 20 C H6 . 36682 1
71 . 1 . 1 19 19 C H41 H 1 8.232 0.0005 . 1 . . . . A 20 C H41 . 36682 1
72 . 1 . 1 19 19 C H42 H 1 6.945 0.0008 . 1 . . . . A 20 C H42 . 36682 1
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