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 36627
_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 36627 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36627 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36627 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 3D1 H1' H 1 5.825 . . 1 . . . . A 1 3D1 H1' . 36627 1
2 . 1 . 1 1 1 3D1 H2 H 1 7.762 . . 1 . . . . A 1 3D1 H2 . 36627 1
3 . 1 . 1 1 1 3D1 H2'1 H 1 1.989 . . . . . . . A 1 3D1 H2'1 . 36627 1
4 . 1 . 1 1 1 3D1 H3' H 1 4.742 . . 1 . . . . A 1 3D1 H3' . 36627 1
5 . 1 . 1 1 1 3D1 H4' H 1 3.769 . . 1 . . . . A 1 3D1 H4' . 36627 1
6 . 1 . 1 1 1 3D1 H5'1 H 1 3.614 . . . . . . . A 1 3D1 H5'1 . 36627 1
7 . 1 . 1 1 1 3D1 H5'2 H 1 4.153 . . . . . . . A 1 3D1 H5'2 . 36627 1
8 . 1 . 1 1 1 3D1 H8 H 1 7.704 . . 1 . . . . A 1 3D1 H8 . 36627 1
9 . 1 . 1 2 2 DA H1' H 1 6.164 . . 1 . . . . A 2 DA H1' . 36627 1
10 . 1 . 1 2 2 DA H2 H 1 7.448 . . 1 . . . . A 2 DA H2 . 36627 1
11 . 1 . 1 2 2 DA H2' H 1 2.806 . . . . . . . A 2 DA H2' . 36627 1
12 . 1 . 1 2 2 DA H2'' H 1 2.497 . . . . . . . A 2 DA H2'' . 36627 1
13 . 1 . 1 2 2 DA H3' H 1 5.091 . . 1 . . . . A 2 DA H3' . 36627 1
14 . 1 . 1 2 2 DA H4' H 1 3.955 . . 1 . . . . A 2 DA H4' . 36627 1
15 . 1 . 1 2 2 DA H5' H 1 4.082 . . . . . . . A 2 DA H5' . 36627 1
16 . 1 . 1 2 2 DA H5'' H 1 4.427 . . . . . . . A 2 DA H5'' . 36627 1
17 . 1 . 1 2 2 DA H8 H 1 8.486 . . 1 . . . . A 2 DA H8 . 36627 1
18 . 1 . 1 3 3 DC H1' H 1 6.138 . . 1 . . . . A 3 DC H1' . 36627 1
19 . 1 . 1 3 3 DC H2' H 1 2.450 . . . . . . . A 3 DC H2' . 36627 1
20 . 1 . 1 3 3 DC H2'' H 1 2.285 . . . . . . . A 3 DC H2'' . 36627 1
21 . 1 . 1 3 3 DC H3' H 1 4.910 . . 1 . . . . A 3 DC H3' . 36627 1
22 . 1 . 1 3 3 DC H4' H 1 3.952 . . 1 . . . . A 3 DC H4' . 36627 1
23 . 1 . 1 3 3 DC H5 H 1 6.056 . . 1 . . . . A 3 DC H5 . 36627 1
24 . 1 . 1 3 3 DC H5' H 1 4.081 . . . . . . . A 3 DC H5' . 36627 1
25 . 1 . 1 3 3 DC H5'' H 1 4.428 . . . . . . . A 3 DC H5'' . 36627 1
26 . 1 . 1 3 3 DC H6 H 1 7.778 . . 1 . . . . A 3 DC H6 . 36627 1
27 . 1 . 1 3 3 DC H41 H 1 8.139 . . . . . . . A 3 DC H41 . 36627 1
28 . 1 . 1 3 3 DC H42 H 1 7.321 . . . . . . . A 3 DC H42 . 36627 1
29 . 1 . 1 4 4 DC H1' H 1 5.434 . . 1 . . . . A 4 DC H1' . 36627 1
30 . 1 . 1 4 4 DC H2' H 1 2.146 . . . . . . . A 4 DC H2' . 36627 1
31 . 1 . 1 4 4 DC H2'' H 1 2.474 . . . . . . . A 4 DC H2'' . 36627 1
32 . 1 . 1 4 4 DC H3' H 1 4.470 . . 1 . . . . A 4 DC H3' . 36627 1
33 . 1 . 1 4 4 DC H4' H 1 4.265 . . 1 . . . . A 4 DC H4' . 36627 1
34 . 1 . 1 4 4 DC H5 H 1 5.719 . . 1 . . . . A 4 DC H5 . 36627 1
35 . 1 . 1 4 4 DC H5' H 1 4.198 . . . . . . . A 4 DC H5' . 36627 1
36 . 1 . 1 4 4 DC H5'' H 1 4.121 . . . . . . . A 4 DC H5'' . 36627 1
37 . 1 . 1 4 4 DC H6 H 1 7.521 . . 1 . . . . A 4 DC H6 . 36627 1
38 . 1 . 1 4 4 DC H41 H 1 8.518 . . . . . . . A 4 DC H41 . 36627 1
39 . 1 . 1 4 4 DC H42 H 1 6.864 . . . . . . . A 4 DC H42 . 36627 1
40 . 1 . 1 5 5 GF2 H1' H 1 5.442 . . 1 . . . . A 5 GF2 H1' . 36627 1
41 . 1 . 1 5 5 GF2 H2' H 1 5.289 . . 1 . . . . A 5 GF2 H2' . 36627 1
42 . 1 . 1 5 5 GF2 H3' H 1 4.987 . . 1 . . . . A 5 GF2 H3' . 36627 1
43 . 1 . 1 5 5 GF2 H4' H 1 4.435 . . 1 . . . . A 5 GF2 H4' . 36627 1
44 . 1 . 1 5 5 GF2 H5' H 1 3.974 . . . . . . . A 5 GF2 H5' . 36627 1
45 . 1 . 1 5 5 GF2 H5'A H 1 4.019 . . . . . . . A 5 GF2 H5'A . 36627 1
46 . 1 . 1 5 5 GF2 H8 H 1 7.957 . . 1 . . . . A 5 GF2 H8 . 36627 1
47 . 1 . 1 5 5 GF2 HN1 H 1 13.448 . . 1 . . . . A 5 GF2 HN1 . 36627 1
48 . 1 . 1 6 6 GF2 H1' H 1 5.167 . . 1 . . . . A 6 GF2 H1' . 36627 1
49 . 1 . 1 6 6 GF2 H2' H 1 3.941 . . 1 . . . . A 6 GF2 H2' . 36627 1
50 . 1 . 1 6 6 GF2 HN2 H 1 3.941 . . 1 . . . . A 6 GF2 HN2 . 36627 1
51 . 1 . 1 6 6 GF2 HN2A H 1 3.941 . . 1 . . . . A 6 GF2 HN2A . 36627 1
52 . 1 . 1 6 6 GF2 H3M3 H 1 1.066 . . . . . . . A 6 GF2 H3M3 . 36627 1
53 . 1 . 1 6 6 GF2 H3O H 1 4.155 . . . . . . . A 6 GF2 H3O . 36627 1
54 . 1 . 1 6 6 GF2 H3' H 1 4.952 . . 1 . . . . A 6 GF2 H3' . 36627 1
55 . 1 . 1 6 6 GF2 H4' H 1 3.766 . . 1 . . . . A 6 GF2 H4' . 36627 1
56 . 1 . 1 6 6 GF2 H4M3 H 1 2.198 . . . . . . . A 6 GF2 H4M3 . 36627 1
57 . 1 . 1 6 6 GF2 H5' H 1 4.316 . . 2 . . . . A 6 GF2 H5' . 36627 1
58 . 1 . 1 6 6 GF2 H5'A H 1 4.316 . . 2 . . . . A 6 GF2 H5'A . 36627 1
59 . 1 . 1 6 6 GF2 H8 H 1 9.053 . . 1 . . . . A 6 GF2 H8 . 36627 1
60 . 1 . 1 6 6 GF2 H63 H 1 1.170 . . . . . . . A 6 GF2 H63 . 36627 1
61 . 1 . 1 6 6 GF2 HBL H 1 4.315 . . . . . . . A 6 GF2 HBL . 36627 1
62 . 1 . 1 6 6 GF2 HBN H 1 2.798 . . . . . . . A 6 GF2 HBN . 36627 1
63 . 1 . 1 6 6 GF2 HBP H 1 5.153 . . . . . . . A 6 GF2 HBP . 36627 1
64 . 1 . 1 6 6 GF2 HBR H 1 6.780 . . . . . . . A 6 GF2 HBR . 36627 1
65 . 1 . 1 6 6 GF2 HBS H 1 12.506 . . . . . . . A 6 GF2 HBS . 36627 1
66 . 1 . 1 6 6 GF2 HCD H 1 4.971 . . . . . . . A 6 GF2 HCD . 36627 1
67 . 1 . 1 6 6 GF2 HCK H 1 5.096 . . . . . . . A 6 GF2 HCK . 36627 1
68 . 1 . 1 6 6 GF2 HCQ H 1 3.764 . . . . . . . A 6 GF2 HCQ . 36627 1
69 . 1 . 1 6 6 GF2 HCS H 1 2.180 . . . . . . . A 6 GF2 HCS . 36627 1
70 . 1 . 1 6 6 GF2 HCT H 1 3.685 . . . . . . . A 6 GF2 HCT . 36627 1
71 . 1 . 1 6 6 GF2 HN1 H 1 13.604 . . 1 . . . . A 6 GF2 HN1 . 36627 1
72 . 1 . 1 7 7 DT H1' H 1 6.590 . . 1 . . . . A 7 DT H1' . 36627 1
73 . 1 . 1 7 7 DT H2' H 1 2.450 . . . . . . . A 7 DT H2' . 36627 1
74 . 1 . 1 7 7 DT H2'' H 1 2.424 . . . . . . . A 7 DT H2'' . 36627 1
75 . 1 . 1 7 7 DT H3' H 1 5.088 . . 1 . . . . A 7 DT H3' . 36627 1
76 . 1 . 1 7 7 DT H4' H 1 4.536 . . 1 . . . . A 7 DT H4' . 36627 1
77 . 1 . 1 7 7 DT H5' H 1 4.168 . . . . . . . A 7 DT H5' . 36627 1
78 . 1 . 1 7 7 DT H5'' H 1 4.258 . . . . . . . A 7 DT H5'' . 36627 1
79 . 1 . 1 7 7 DT H6 H 1 7.853 . . 1 . . . . A 7 DT H6 . 36627 1
80 . 1 . 1 7 7 DT H71 H 1 2.023 . . 1 . . . . A 7 DT H71 . 36627 1
81 . 1 . 1 7 7 DT H72 H 1 2.023 . . 1 . . . . A 7 DT H72 . 36627 1
82 . 1 . 1 7 7 DT H73 H 1 2.023 . . 1 . . . . A 7 DT H73 . 36627 1
83 . 1 . 1 8 8 DT H1' H 1 6.353 . . 1 . . . . A 8 DT H1' . 36627 1
84 . 1 . 1 8 8 DT H2' H 1 2.285 . . . . . . . A 8 DT H2' . 36627 1
85 . 1 . 1 8 8 DT H2'' H 1 2.375 . . . . . . . A 8 DT H2'' . 36627 1
86 . 1 . 1 8 8 DT H3' H 1 4.572 . . 1 . . . . A 8 DT H3' . 36627 1
87 . 1 . 1 8 8 DT H6 H 1 7.734 . . 1 . . . . A 8 DT H6 . 36627 1
88 . 1 . 1 8 8 DT H71 H 1 1.949 . . 1 . . . . A 8 DT H71 . 36627 1
89 . 1 . 1 8 8 DT H72 H 1 1.949 . . 1 . . . . A 8 DT H72 . 36627 1
90 . 1 . 1 8 8 DT H73 H 1 1.949 . . 1 . . . . A 8 DT H73 . 36627 1
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