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 36686
_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 36686 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36686 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 5.716 0.0005 . 1 . . . . A 1 G H1' . 36686 1
2 . 1 . 1 1 1 G H8 H 1 7.983 0.003 . 1 . . . . A 1 G H8 . 36686 1
3 . 1 . 1 2 2 G H1 H 1 12.490 0.0007 . 1 . . . . A 2 G H1 . 36686 1
4 . 1 . 1 2 2 G H1' H 1 5.877 0.000 . 1 . . . . A 2 G H1' . 36686 1
5 . 1 . 1 2 2 G H8 H 1 7.456 0.0005 . 1 . . . . A 2 G H8 . 36686 1
6 . 1 . 1 3 3 A H1' H 1 6.005 0.001 . 1 . . . . A 3 A H1' . 36686 1
7 . 1 . 1 3 3 A H2 H 1 7.789 0.0012 . 1 . . . . A 3 A H2 . 36686 1
8 . 1 . 1 3 3 A H8 H 1 7.796 0.001 . 1 . . . . A 3 A H8 . 36686 1
9 . 1 . 1 4 4 U H1' H 1 5.713 0.0025 . 1 . . . . A 4 U H1' . 36686 1
10 . 1 . 1 4 4 U H3 H 1 13.290 0.0015 . 1 . . . . A 4 U H3 . 36686 1
11 . 1 . 1 4 4 U H5 H 1 5.162 0.0085 . 1 . . . . A 4 U H5 . 36686 1
12 . 1 . 1 4 4 U H6 H 1 7.505 0.0019 . 1 . . . . A 4 U H6 . 36686 1
13 . 1 . 1 5 5 A H1' H 1 5.899 0.0017 . 1 . . . . A 5 A H1' . 36686 1
14 . 1 . 1 5 5 A H2 H 1 6.912 0.004 . 1 . . . . A 5 A H2 . 36686 1
15 . 1 . 1 5 5 A H8 H 1 8.210 0.0004 . 1 . . . . A 5 A H8 . 36686 1
16 . 1 . 1 6 6 G H1 H 1 13.420 0.0008 . 1 . . . . A 6 G H1 . 36686 1
17 . 1 . 1 6 6 G H1' H 1 5.381 0.0005 . 1 . . . . A 6 G H1' . 36686 1
18 . 1 . 1 6 6 G H8 H 1 7.092 0.0019 . 1 . . . . A 6 G H8 . 36686 1
19 . 1 . 1 7 7 U H1' H 1 5.495 0.0015 . 1 . . . . A 7 U H1' . 36686 1
20 . 1 . 1 7 7 U H3 H 1 14.450 0.0005 . 1 . . . . A 7 U H3 . 36686 1
21 . 1 . 1 7 7 U H5 H 1 4.954 0.0035 . 1 . . . . A 7 U H5 . 36686 1
22 . 1 . 1 7 7 U H6 H 1 7.453 0.0026 . 1 . . . . A 7 U H6 . 36686 1
23 . 1 . 1 8 8 U H1' H 1 5.339 0.001 . 1 . . . . A 8 U H1' . 36686 1
24 . 1 . 1 8 8 U H2' H 1 3.757 0.0007 . 1 . . . . A 8 U H2' . 36686 1
25 . 1 . 1 8 8 U H5 H 1 5.765 0.0024 . 1 . . . . A 8 U H5 . 36686 1
26 . 1 . 1 8 8 U H6 H 1 7.731 0.0015 . 1 . . . . A 8 U H6 . 36686 1
27 . 1 . 1 9 9 U H1' H 1 6.087 0.0033 . 1 . . . . A 9 U H1' . 36686 1
28 . 1 . 1 9 9 U H2' H 1 4.679 0.000 . 1 . . . . A 9 U H2' . 36686 1
29 . 1 . 1 9 9 U H3' H 1 3.989 0.000 . 1 . . . . A 9 U H3' . 36686 1
30 . 1 . 1 9 9 U H5 H 1 5.845 0.0005 . 1 . . . . A 9 U H5 . 36686 1
31 . 1 . 1 9 9 U H6 H 1 7.993 0.0017 . 1 . . . . A 9 U H6 . 36686 1
32 . 1 . 1 10 10 C H1' H 1 5.914 0.0005 . 1 . . . . A 10 C H1' . 36686 1
33 . 1 . 1 10 10 C H2' H 1 4.088 0.000 . 1 . . . . A 10 C H2' . 36686 1
34 . 1 . 1 10 10 C H3' H 1 4.455 0.000 . 1 . . . . A 10 C H3' . 36686 1
35 . 1 . 1 10 10 C H4' H 1 3.720 0.002 . 1 . . . . A 10 C H4' . 36686 1
36 . 1 . 1 10 10 C H5 H 1 6.102 0.0009 . 1 . . . . A 10 C H5 . 36686 1
37 . 1 . 1 10 10 C H5' H 1 3.591 0.0005 . 1 . . . . A 10 C H5' . 36686 1
38 . 1 . 1 10 10 C H5'' H 1 2.675 0.002 . 1 . . . . A 10 C H5'' . 36686 1
39 . 1 . 1 10 10 C H6 H 1 7.668 0.0013 . 1 . . . . A 10 C H6 . 36686 1
40 . 1 . 1 10 10 C H41 H 1 7.132 0.0025 . 1 . . . . A 10 C H41 . 36686 1
41 . 1 . 1 10 10 C H42 H 1 6.375 0.000 . 1 . . . . A 10 C H42 . 36686 1
42 . 1 . 1 11 11 G H1' H 1 5.953 0.000 . 1 . . . . A 11 G H1' . 36686 1
43 . 1 . 1 11 11 G H8 H 1 7.858 0.0008 . 1 . . . . A 11 G H8 . 36686 1
44 . 1 . 1 12 12 A H1' H 1 5.673 0.0014 . 1 . . . . A 13 A H1' . 36686 1
45 . 1 . 1 12 12 A H2 H 1 7.844 0.0009 . 1 . . . . A 13 A H2 . 36686 1
46 . 1 . 1 12 12 A H2' H 1 4.406 0.000 . 1 . . . . A 13 A H2' . 36686 1
47 . 1 . 1 12 12 A H8 H 1 8.644 0.000 . 1 . . . . A 13 A H8 . 36686 1
48 . 1 . 1 13 13 C H1' H 1 5.450 0.0014 . 1 . . . . A 14 C H1' . 36686 1
49 . 1 . 1 13 13 C H5 H 1 5.127 0.0012 . 1 . . . . A 14 C H5 . 36686 1
50 . 1 . 1 13 13 C H6 H 1 7.496 0.000 . 1 . . . . A 14 C H6 . 36686 1
51 . 1 . 1 13 13 C H41 H 1 8.486 0.0008 . 1 . . . . A 14 C H41 . 36686 1
52 . 1 . 1 13 13 C H42 H 1 6.993 0.0007 . 1 . . . . A 14 C H42 . 36686 1
53 . 1 . 1 14 14 U H1' H 1 5.575 0.000 . 1 . . . . A 15 U H1' . 36686 1
54 . 1 . 1 14 14 U H5 H 1 5.558 0.000 . 1 . . . . A 15 U H5 . 36686 1
55 . 1 . 1 14 14 U H6 H 1 7.613 0.0017 . 1 . . . . A 15 U H6 . 36686 1
56 . 1 . 1 15 15 G H1' H 1 5.981 0.000 . 1 . . . . A 16 G H1' . 36686 1
57 . 1 . 1 15 15 G H8 H 1 8.084 0.000 . 1 . . . . A 16 G H8 . 36686 1
58 . 1 . 1 16 16 A H1' H 1 5.653 0.0005 . 1 . . . . A 17 A H1' . 36686 1
59 . 1 . 1 16 16 A H2 H 1 7.299 0.0012 . 1 . . . . A 17 A H2 . 36686 1
60 . 1 . 1 16 16 A H8 H 1 8.226 0.0005 . 1 . . . . A 17 A H8 . 36686 1
61 . 1 . 1 17 17 U H1' H 1 5.534 0.0005 . 1 . . . . A 18 U H1' . 36686 1
62 . 1 . 1 17 17 U H3 H 1 14.250 0.0005 . 1 . . . . A 18 U H3 . 36686 1
63 . 1 . 1 17 17 U H5 H 1 4.934 0.0035 . 1 . . . . A 18 U H5 . 36686 1
64 . 1 . 1 17 17 U H6 H 1 7.621 0.0037 . 1 . . . . A 18 U H6 . 36686 1
65 . 1 . 1 18 18 C H1' H 1 5.576 0.0005 . 1 . . . . A 19 C H1' . 36686 1
66 . 1 . 1 18 18 C H5 H 1 5.582 0.0007 . 1 . . . . A 19 C H5 . 36686 1
67 . 1 . 1 18 18 C H6 H 1 7.846 0.0015 . 1 . . . . A 19 C H6 . 36686 1
68 . 1 . 1 18 18 C H41 H 1 8.395 0.0007 . 1 . . . . A 19 C H41 . 36686 1
69 . 1 . 1 18 18 C H42 H 1 6.950 0.0017 . 1 . . . . A 19 C H42 . 36686 1
70 . 1 . 1 19 19 C H1' H 1 5.683 0.000 . 1 . . . . A 20 C H1' . 36686 1
71 . 1 . 1 19 19 C H5 H 1 5.475 0.0004 . 1 . . . . A 20 C H5 . 36686 1
72 . 1 . 1 19 19 C H6 H 1 7.645 0.002 . 1 . . . . A 20 C H6 . 36686 1
73 . 1 . 1 19 19 C H41 H 1 8.244 0.0012 . 1 . . . . A 20 C H41 . 36686 1
74 . 1 . 1 19 19 C H42 H 1 6.946 0.0011 . 1 . . . . A 20 C H42 . 36686 1
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