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 36641
_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 anisotropic 36641 1
2 '2D 1H-1H COSY' 1 $sample_1 anisotropic 36641 1
3 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36641 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 3D1 H1' H 1 5.983 . . 1 . . . . A 1 3D1 H1' . 36641 1
2 . 1 . 1 1 1 3D1 H2'1 H 1 2.446 . . . . . . . A 1 3D1 H2'1 . 36641 1
3 . 1 . 1 1 1 3D1 H2'2 H 1 2.633 . . . . . . . A 1 3D1 H2'2 . 36641 1
4 . 1 . 1 1 1 3D1 H3' H 1 4.855 . . 1 . . . . A 1 3D1 H3' . 36641 1
5 . 1 . 1 1 1 3D1 H4' H 1 4.220 . . 1 . . . . A 1 3D1 H4' . 36641 1
6 . 1 . 1 1 1 3D1 H8 H 1 7.964 . . 1 . . . . A 1 3D1 H8 . 36641 1
7 . 1 . 1 2 2 DA H1' H 1 6.114 . . 1 . . . . A 2 DA H1' . 36641 1
8 . 1 . 1 2 2 DA H2' H 1 2.813 . . . . . . . A 2 DA H2' . 36641 1
9 . 1 . 1 2 2 DA H2'' H 1 2.813 . . . . . . . A 2 DA H2'' . 36641 1
10 . 1 . 1 2 2 DA H3' H 1 5.012 . . 1 . . . . A 2 DA H3' . 36641 1
11 . 1 . 1 2 2 DA H4' H 1 4.454 . . 1 . . . . A 2 DA H4' . 36641 1
12 . 1 . 1 2 2 DA H5' H 1 4.159 . . . . . . . A 2 DA H5' . 36641 1
13 . 1 . 1 2 2 DA H5'' H 1 4.192 . . . . . . . A 2 DA H5'' . 36641 1
14 . 1 . 1 2 2 DA H8 H 1 8.251 . . 1 . . . . A 2 DA H8 . 36641 1
15 . 1 . 1 3 3 DC H1' H 1 5.785 . . 1 . . . . A 3 DC H1' . 36641 1
16 . 1 . 1 3 3 DC H2' H 1 2.310 . . . . . . . A 3 DC H2' . 36641 1
17 . 1 . 1 3 3 DC H2'' H 1 2.501 . . . . . . . A 3 DC H2'' . 36641 1
18 . 1 . 1 3 3 DC H3' H 1 4.543 . . 1 . . . . A 3 DC H3' . 36641 1
19 . 1 . 1 3 3 DC H4' H 1 4.162 . . 1 . . . . A 3 DC H4' . 36641 1
20 . 1 . 1 3 3 DC H5 H 1 5.243 . . 1 . . . . A 3 DC H5 . 36641 1
21 . 1 . 1 3 3 DC H6 H 1 7.352 . . 1 . . . . A 3 DC H6 . 36641 1
22 . 1 . 1 3 3 DC H41 H 1 8.069 . . . . . . . A 3 DC H41 . 36641 1
23 . 1 . 1 3 3 DC H42 H 1 6.578 . . . . . . . A 3 DC H42 . 36641 1
24 . 1 . 1 4 4 DC H1' H 1 5.790 . . 1 . . . . A 4 DC H1' . 36641 1
25 . 1 . 1 4 4 DC H2' H 1 2.533 . . . . . . . A 4 DC H2' . 36641 1
26 . 1 . 1 4 4 DC H2'' H 1 2.570 . . . . . . . A 4 DC H2'' . 36641 1
27 . 1 . 1 4 4 DC H3' H 1 4.723 . . 1 . . . . A 4 DC H3' . 36641 1
28 . 1 . 1 4 4 DC H4' H 1 4.543 . . 1 . . . . A 4 DC H4' . 36641 1
29 . 1 . 1 4 4 DC H5 H 1 5.383 . . 1 . . . . A 4 DC H5 . 36641 1
30 . 1 . 1 4 4 DC H5' H 1 4.278 . . . . . . . A 4 DC H5' . 36641 1
31 . 1 . 1 4 4 DC H6 H 1 7.596 . . 1 . . . . A 4 DC H6 . 36641 1
32 . 1 . 1 4 4 DC H41 H 1 8.164 . . . . . . . A 4 DC H41 . 36641 1
33 . 1 . 1 4 4 DC H42 H 1 6.500 . . . . . . . A 4 DC H42 . 36641 1
34 . 1 . 1 5 5 GF2 H1' H 1 5.961 . . 1 . . . . A 5 GF2 H1' . 36641 1
35 . 1 . 1 5 5 GF2 H2' H 1 5.385 . . 1 . . . . A 5 GF2 H2' . 36641 1
36 . 1 . 1 5 5 GF2 H3' H 1 4.725 . . 1 . . . . A 5 GF2 H3' . 36641 1
37 . 1 . 1 5 5 GF2 H4' H 1 4.520 . . 1 . . . . A 5 GF2 H4' . 36641 1
38 . 1 . 1 5 5 GF2 H5' H 1 4.167 . . . . . . . A 5 GF2 H5' . 36641 1
39 . 1 . 1 5 5 GF2 H5'A H 1 4.157 . . . . . . . A 5 GF2 H5'A . 36641 1
40 . 1 . 1 5 5 GF2 H8 H 1 7.554 . . 1 . . . . A 5 GF2 H8 . 36641 1
41 . 1 . 1 5 5 GF2 HN1 H 1 12.561 . . 1 . . . . A 5 GF2 HN1 . 36641 1
42 . 1 . 1 6 6 GF2 H1' H 1 5.965 . . 1 . . . . A 6 GF2 H1' . 36641 1
43 . 1 . 1 6 6 GF2 H2' H 1 5.068 . . 1 . . . . A 6 GF2 H2' . 36641 1
44 . 1 . 1 6 6 GF2 H3' H 1 4.554 . . 1 . . . . A 6 GF2 H3' . 36641 1
45 . 1 . 1 6 6 GF2 H4' H 1 4.517 . . 1 . . . . A 6 GF2 H4' . 36641 1
46 . 1 . 1 6 6 GF2 H5' H 1 4.426 . . . . . . . A 6 GF2 H5' . 36641 1
47 . 1 . 1 6 6 GF2 H5'A H 1 4.154 . . . . . . . A 6 GF2 H5'A . 36641 1
48 . 1 . 1 6 6 GF2 H8 H 1 7.282 . . 1 . . . . A 6 GF2 H8 . 36641 1
49 . 1 . 1 6 6 GF2 HN1 H 1 12.965 . . 1 . . . . A 6 GF2 HN1 . 36641 1
50 . 1 . 1 6 6 GF2 HN2 H 1 7.941 . . . . . . . A 6 GF2 HN2 . 36641 1
51 . 1 . 1 7 7 DT H1' H 1 6.122 . . 1 . . . . A 7 DT H1' . 36641 1
52 . 1 . 1 7 7 DT H2' H 1 2.305 . . . . . . . A 7 DT H2' . 36641 1
53 . 1 . 1 7 7 DT H2'' H 1 2.528 . . . . . . . A 7 DT H2'' . 36641 1
54 . 1 . 1 7 7 DT H3' H 1 4.779 . . 1 . . . . A 7 DT H3' . 36641 1
55 . 1 . 1 7 7 DT H4' H 1 4.253 . . 1 . . . . A 7 DT H4' . 36641 1
56 . 1 . 1 7 7 DT H5' H 1 4.520 . . . . . . . A 7 DT H5' . 36641 1
57 . 1 . 1 7 7 DT H5'' H 1 4.319 . . . . . . . A 7 DT H5'' . 36641 1
58 . 1 . 1 7 7 DT H6 H 1 7.638 . . 1 . . . . A 7 DT H6 . 36641 1
59 . 1 . 1 7 7 DT H71 H 1 1.314 . . 1 . . . . A 7 DT H71 . 36641 1
60 . 1 . 1 7 7 DT H72 H 1 1.314 . . 1 . . . . A 7 DT H72 . 36641 1
61 . 1 . 1 7 7 DT H73 H 1 1.314 . . 1 . . . . A 7 DT H73 . 36641 1
62 . 1 . 1 8 8 DT H1' H 1 6.314 . . 1 . . . . A 8 DT H1' . 36641 1
63 . 1 . 1 8 8 DT H2' H 1 2.308 . . . . . . . A 8 DT H2' . 36641 1
64 . 1 . 1 8 8 DT H2'' H 1 2.301 . . . . . . . A 8 DT H2'' . 36641 1
65 . 1 . 1 8 8 DT H3' H 1 4.562 . . 1 . . . . A 8 DT H3' . 36641 1
66 . 1 . 1 8 8 DT H4' H 1 4.090 . . 1 . . . . A 8 DT H4' . 36641 1
67 . 1 . 1 8 8 DT H5' H 1 4.564 . . . . . . . A 8 DT H5' . 36641 1
68 . 1 . 1 8 8 DT H5'' H 1 4.106 . . . . . . . A 8 DT H5'' . 36641 1
69 . 1 . 1 8 8 DT H6 H 1 7.671 . . 1 . . . . A 8 DT H6 . 36641 1
70 . 1 . 1 8 8 DT H71 H 1 1.711 . . 1 . . . . A 8 DT H71 . 36641 1
71 . 1 . 1 8 8 DT H72 H 1 1.711 . . 1 . . . . A 8 DT H72 . 36641 1
72 . 1 . 1 8 8 DT H73 H 1 1.711 . . 1 . . . . A 8 DT H73 . 36641 1
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