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 36544
_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 NOESY' 1 $sample_1 isotropic 36544 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36544 1
stop_
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 5.711 0.000 . 1 . . . . A 1 G H1' . 36544 1
2 . 1 . 1 1 1 G H5' H 1 3.997 0.000 . 1 . . . . A 1 G H5' . 36544 1
3 . 1 . 1 1 1 G H5'' H 1 3.899 0.000 . 1 . . . . A 1 G H5'' . 36544 1
4 . 1 . 1 1 1 G H8 H 1 7.990 0.0012 . 1 . . . . A 1 G H8 . 36544 1
5 . 1 . 1 2 2 G H1 H 1 12.580 0.0016 . 1 . . . . A 2 G H1 . 36544 1
6 . 1 . 1 2 2 G H1' H 1 5.861 0.0005 . 1 . . . . A 2 G H1' . 36544 1
7 . 1 . 1 2 2 G H8 H 1 7.472 0.0019 . 1 . . . . A 2 G H8 . 36544 1
8 . 1 . 1 3 3 A H1' H 1 6.015 0.0023 . 1 . . . . A 3 A H1' . 36544 1
9 . 1 . 1 3 3 A H2 H 1 7.805 0.0022 . 1 . . . . A 3 A H2 . 36544 1
10 . 1 . 1 3 3 A H8 H 1 7.909 0.0005 . 1 . . . . A 3 A H8 . 36544 1
11 . 1 . 1 4 4 C H1' H 1 5.678 0.0022 . 1 . . . . A 4 C H1' . 36544 1
12 . 1 . 1 4 4 C H2' H 1 4.237 0.0005 . 1 . . . . A 4 C H2' . 36544 1
13 . 1 . 1 4 4 C H3' H 1 4.383 0.000 . 1 . . . . A 4 C H3' . 36544 1
14 . 1 . 1 4 4 C H5 H 1 5.269 0.0041 . 1 . . . . A 4 C H5 . 36544 1
15 . 1 . 1 4 4 C H6 H 1 7.448 0.001 . 1 . . . . A 4 C H6 . 36544 1
16 . 1 . 1 4 4 C H41 H 1 8.058 0.0007 . 1 . . . . A 4 C H41 . 36544 1
17 . 1 . 1 4 4 C H42 H 1 7.224 0.0022 . 1 . . . . A 4 C H42 . 36544 1
18 . 1 . 1 5 5 G H1 H 1 12.470 0.0022 . 1 . . . . A 5 G H1 . 36544 1
19 . 1 . 1 5 5 G H1' H 1 5.779 0.0008 . 1 . . . . A 5 G H1' . 36544 1
20 . 1 . 1 5 5 G H8 H 1 7.954 0.0014 . 1 . . . . A 5 G H8 . 36544 1
21 . 1 . 1 6 6 C H1' H 1 5.377 0.000 . 1 . . . . A 6 C H1' . 36544 1
22 . 1 . 1 6 6 C H5 H 1 5.228 0.0025 . 1 . . . . A 6 C H5 . 36544 1
23 . 1 . 1 6 6 C H6 H 1 7.416 0.0032 . 1 . . . . A 6 C H6 . 36544 1
24 . 1 . 1 6 6 C H41 H 1 8.621 0.0007 . 1 . . . . A 6 C H41 . 36544 1
25 . 1 . 1 6 6 C H42 H 1 6.763 0.0005 . 1 . . . . A 6 C H42 . 36544 1
26 . 1 . 1 7 7 U H1' H 1 5.518 0.000 . 1 . . . . A 7 U H1' . 36544 1
27 . 1 . 1 7 7 U H3 H 1 14.300 0.0036 . 1 . . . . A 7 U H3 . 36544 1
28 . 1 . 1 7 7 U H5 H 1 5.383 0.0045 . 1 . . . . A 7 U H5 . 36544 1
29 . 1 . 1 7 7 U H6 H 1 7.759 0.0028 . 1 . . . . A 7 U H6 . 36544 1
30 . 1 . 1 8 8 U H1' H 1 5.256 0.0021 . 1 . . . . A 8 U H1' . 36544 1
31 . 1 . 1 8 8 U H2' H 1 3.713 0.0008 . 1 . . . . A 8 U H2' . 36544 1
32 . 1 . 1 8 8 U H5 H 1 5.815 0.0005 . 1 . . . . A 8 U H5 . 36544 1
33 . 1 . 1 8 8 U H6 H 1 7.759 0.0044 . 1 . . . . A 8 U H6 . 36544 1
34 . 1 . 1 9 9 U H1' H 1 6.078 0.0016 . 1 . . . . A 9 U H1' . 36544 1
35 . 1 . 1 9 9 U H2' H 1 4.654 0.0017 . 1 . . . . A 9 U H2' . 36544 1
36 . 1 . 1 9 9 U H3' H 1 3.977 0.0025 . 1 . . . . A 9 U H3' . 36544 1
37 . 1 . 1 9 9 U H5 H 1 5.838 0.0035 . 1 . . . . A 9 U H5 . 36544 1
38 . 1 . 1 9 9 U H6 H 1 7.983 0.0025 . 1 . . . . A 9 U H6 . 36544 1
39 . 1 . 1 10 10 C H1' H 1 5.906 0.0029 . 1 . . . . A 10 C H1' . 36544 1
40 . 1 . 1 10 10 C H2' H 1 4.079 0.000 . 1 . . . . A 10 C H2' . 36544 1
41 . 1 . 1 10 10 C H3' H 1 4.454 0.0005 . 1 . . . . A 10 C H3' . 36544 1
42 . 1 . 1 10 10 C H4' H 1 3.724 0.0022 . 1 . . . . A 10 C H4' . 36544 1
43 . 1 . 1 10 10 C H5 H 1 6.106 0.0013 . 1 . . . . A 10 C H5 . 36544 1
44 . 1 . 1 10 10 C H5' H 1 3.582 0.002 . 1 . . . . A 10 C H5' . 36544 1
45 . 1 . 1 10 10 C H5'' H 1 2.672 0.0034 . 1 . . . . A 10 C H5'' . 36544 1
46 . 1 . 1 10 10 C H6 H 1 7.646 0.0016 . 1 . . . . A 10 C H6 . 36544 1
47 . 1 . 1 10 10 C H41 H 1 7.123 0.0007 . 1 . . . . A 10 C H41 . 36544 1
48 . 1 . 1 10 10 C H42 H 1 6.365 0.0027 . 1 . . . . A 10 C H42 . 36544 1
49 . 1 . 1 11 11 G H1 H 1 9.588 0.0009 . 1 . . . . A 11 G H1 . 36544 1
50 . 1 . 1 11 11 G H1' H 1 5.946 0.000 . 1 . . . . A 11 G H1' . 36544 1
51 . 1 . 1 11 11 G H8 H 1 7.850 0.0007 . 1 . . . . A 11 G H8 . 36544 1
52 . 1 . 1 12 12 A H1' H 1 5.673 0.002 . 1 . . . . A 12 A H1' . 36544 1
53 . 1 . 1 12 12 A H2 H 1 7.408 0.001 . 1 . . . . A 12 A H2 . 36544 1
54 . 1 . 1 12 12 A H8 H 1 8.627 0.0014 . 1 . . . . A 12 A H8 . 36544 1
55 . 1 . 1 13 13 G H1 H 1 13.190 0.0018 . 1 . . . . A 13 G H1 . 36544 1
56 . 1 . 1 13 13 G H1' H 1 5.736 0.0017 . 1 . . . . A 13 G H1' . 36544 1
57 . 1 . 1 13 13 G H8 H 1 7.313 0.0009 . 1 . . . . A 13 G H8 . 36544 1
58 . 1 . 1 14 14 C H1' H 1 5.734 0.0015 . 1 . . . . A 14 C H1' . 36544 1
59 . 1 . 1 14 14 C H2' H 1 3.734 0.0017 . 1 . . . . A 14 C H2' . 36544 1
60 . 1 . 1 14 14 C H5 H 1 5.344 0.002 . 1 . . . . A 14 C H5 . 36544 1
61 . 1 . 1 14 14 C H6 H 1 7.349 0.0011 . 1 . . . . A 14 C H6 . 36544 1
62 . 1 . 1 14 14 C H41 H 1 8.262 0.0033 . 1 . . . . A 14 C H41 . 36544 1
63 . 1 . 1 14 14 C H42 H 1 7.222 0.0015 . 1 . . . . A 14 C H42 . 36544 1
64 . 1 . 1 15 15 G H1' H 1 5.964 0.0024 . 1 . . . . A 15 G H1' . 36544 1
65 . 1 . 1 15 15 G H2' H 1 4.814 0.000 . 1 . . . . A 15 G H2' . 36544 1
66 . 1 . 1 15 15 G H8 H 1 8.066 0.0015 . 1 . . . . A 15 G H8 . 36544 1
67 . 1 . 1 16 16 G H1 H 1 12.300 0.0033 . 1 . . . . A 16 G H1 . 36544 1
68 . 1 . 1 16 16 G H1' H 1 5.424 0.000 . 1 . . . . A 16 G H1' . 36544 1
69 . 1 . 1 16 16 G H8 H 1 7.925 0.001 . 1 . . . . A 16 G H8 . 36544 1
70 . 1 . 1 17 17 U H1' H 1 5.501 0.0012 . 1 . . . . A 17 U H1' . 36544 1
71 . 1 . 1 17 17 U H3 H 1 14.500 0.0005 . 1 . . . . A 17 U H3 . 36544 1
72 . 1 . 1 17 17 U H5 H 1 5.061 0.0009 . 1 . . . . A 17 U H5 . 36544 1
73 . 1 . 1 17 17 U H6 H 1 7.780 0.003 . 1 . . . . A 17 U H6 . 36544 1
74 . 1 . 1 18 18 C H1' H 1 5.569 0.0007 . 1 . . . . A 18 C H1' . 36544 1
75 . 1 . 1 18 18 C H5 H 1 5.664 0.0019 . 1 . . . . A 18 C H5 . 36544 1
76 . 1 . 1 18 18 C H6 H 1 7.882 0.0039 . 1 . . . . A 18 C H6 . 36544 1
77 . 1 . 1 18 18 C H41 H 1 8.505 0.001 . 1 . . . . A 18 C H41 . 36544 1
78 . 1 . 1 18 18 C H42 H 1 7.029 0.0012 . 1 . . . . A 18 C H42 . 36544 1
79 . 1 . 1 19 19 C H1' H 1 5.671 0.0041 . 1 . . . . A 19 C H1' . 36544 1
80 . 1 . 1 19 19 C H2' H 1 4.409 0.0045 . 1 . . . . A 19 C H2' . 36544 1
81 . 1 . 1 19 19 C H3' H 1 4.335 0.000 . 1 . . . . A 19 C H3' . 36544 1
82 . 1 . 1 19 19 C H5 H 1 5.510 0.0017 . 1 . . . . A 19 C H5 . 36544 1
83 . 1 . 1 19 19 C H6 H 1 7.666 0.0043 . 1 . . . . A 19 C H6 . 36544 1
84 . 1 . 1 19 19 C H41 H 1 8.274 0.0023 . 1 . . . . A 19 C H41 . 36544 1
85 . 1 . 1 19 19 C H42 H 1 6.996 0.0014 . 1 . . . . A 19 C H42 . 36544 1
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