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 36621
_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 36621 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36621 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36621 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 5.802 . . 1 . . . . A 1 3D1 H1' . 36621 1
2 . 1 . 1 1 1 3D1 H2'1 H 1 1.576 . . . . . . . A 1 3D1 H2'1 . 36621 1
3 . 1 . 1 1 1 3D1 H2'2 H 1 2.076 . . . . . . . A 1 3D1 H2'2 . 36621 1
4 . 1 . 1 1 1 3D1 H3' H 1 4.642 . . 1 . . . . A 1 3D1 H3' . 36621 1
5 . 1 . 1 1 1 3D1 H4' H 1 4.249 . . 1 . . . . A 1 3D1 H4' . 36621 1
6 . 1 . 1 1 1 3D1 H5'2 H 1 3.998 . . . . . . . A 1 3D1 H5'2 . 36621 1
7 . 1 . 1 1 1 3D1 H8 H 1 7.768 . . 1 . . . . A 1 3D1 H8 . 36621 1
8 . 1 . 1 2 2 DA H1' H 1 5.445 . . 1 . . . . A 2 DA H1' . 36621 1
9 . 1 . 1 2 2 DA H2 H 1 6.864 . . 1 . . . . A 2 DA H2 . 36621 1
10 . 1 . 1 2 2 DA H2' H 1 2.474 . . . . . . . A 2 DA H2' . 36621 1
11 . 1 . 1 2 2 DA H2'' H 1 2.080 . . . . . . . A 2 DA H2'' . 36621 1
12 . 1 . 1 2 2 DA H3' H 1 4.516 . . 1 . . . . A 2 DA H3' . 36621 1
13 . 1 . 1 2 2 DA H4' H 1 4.227 . . 1 . . . . A 2 DA H4' . 36621 1
14 . 1 . 1 2 2 DA H5' H 1 4.256 . . . . . . . A 2 DA H5' . 36621 1
15 . 1 . 1 2 2 DA H5'' H 1 4.079 . . . . . . . A 2 DA H5'' . 36621 1
16 . 1 . 1 3 3 DC H1' H 1 6.073 . . 1 . . . . A 3 DC H1' . 36621 1
17 . 1 . 1 3 3 DC H2' H 1 2.925 . . . . . . . A 3 DC H2' . 36621 1
18 . 1 . 1 3 3 DC H2'' H 1 2.478 . . . . . . . A 3 DC H2'' . 36621 1
19 . 1 . 1 3 3 DC H3' H 1 5.037 . . 1 . . . . A 3 DC H3' . 36621 1
20 . 1 . 1 3 3 DC H4' H 1 4.481 . . 1 . . . . A 3 DC H4' . 36621 1
21 . 1 . 1 3 3 DC H5 H 1 6.071 . . 1 . . . . A 3 DC H5 . 36621 1
22 . 1 . 1 3 3 DC H5' H 1 3.990 . . . . . . . A 3 DC H5' . 36621 1
23 . 1 . 1 3 3 DC H5'' H 1 4.059 . . . . . . . A 3 DC H5'' . 36621 1
24 . 1 . 1 3 3 DC H6 H 1 7.771 . . 1 . . . . A 3 DC H6 . 36621 1
25 . 1 . 1 3 3 DC H41 H 1 8.359 . . . . . . . A 3 DC H41 . 36621 1
26 . 1 . 1 3 3 DC H42 H 1 7.158 . . . . . . . A 3 DC H42 . 36621 1
27 . 1 . 1 4 4 DC H1' H 1 6.284 . . 1 . . . . A 4 DC H1' . 36621 1
28 . 1 . 1 4 4 DC H2' H 1 2.356 . . . . . . . A 4 DC H2' . 36621 1
29 . 1 . 1 4 4 DC H2'' H 1 2.512 . . . . . . . A 4 DC H2'' . 36621 1
30 . 1 . 1 4 4 DC H3' H 1 4.979 . . 1 . . . . A 4 DC H3' . 36621 1
31 . 1 . 1 4 4 DC H4' H 1 4.462 . . 1 . . . . A 4 DC H4' . 36621 1
32 . 1 . 1 4 4 DC H5 H 1 5.788 . . 1 . . . . A 4 DC H5 . 36621 1
33 . 1 . 1 4 4 DC H5' H 1 4.101 . . . . . . . A 4 DC H5' . 36621 1
34 . 1 . 1 4 4 DC H5'' H 1 4.008 . . . . . . . A 4 DC H5'' . 36621 1
35 . 1 . 1 4 4 DC H6 H 1 7.527 . . 1 . . . . A 4 DC H6 . 36621 1
36 . 1 . 1 4 4 DC H41 H 1 8.610 . . . . . . . A 4 DC H41 . 36621 1
37 . 1 . 1 4 4 DC H42 H 1 6.955 . . . . . . . A 4 DC H42 . 36621 1
38 . 1 . 1 5 5 GF2 H1' H 1 5.449 . . 1 . . . . A 5 GF2 H1' . 36621 1
39 . 1 . 1 5 5 GF2 H2' H 1 5.287 . . 1 . . . . A 5 GF2 H2' . 36621 1
40 . 1 . 1 5 5 GF2 H3' H 1 4.986 . . 1 . . . . A 5 GF2 H3' . 36621 1
41 . 1 . 1 5 5 GF2 H5' H 1 3.519 . . . . . . . A 5 GF2 H5' . 36621 1
42 . 1 . 1 5 5 GF2 H5'A H 1 4.126 . . . . . . . A 5 GF2 H5'A . 36621 1
43 . 1 . 1 5 5 GF2 H8 H 1 7.997 . . 1 . . . . A 5 GF2 H8 . 36621 1
44 . 1 . 1 5 5 GF2 HN1 H 1 13.529 . . 1 . . . . A 5 GF2 HN1 . 36621 1
45 . 1 . 1 5 5 GF2 HN2 H 1 8.994 . . . . . . . A 5 GF2 HN2 . 36621 1
46 . 1 . 1 5 5 GF2 HN2A H 1 5.686 . . . . . . . A 5 GF2 HN2A . 36621 1
47 . 1 . 1 6 6 GF2 H1' H 1 5.686 . . 1 . . . . A 6 GF2 H1' . 36621 1
48 . 1 . 1 6 6 GF2 H2' H 1 2.016 . . 1 . . . . A 6 GF2 H2' . 36621 1
49 . 1 . 1 6 6 GF2 H3' H 1 4.936 . . 1 . . . . A 6 GF2 H3' . 36621 1
50 . 1 . 1 6 6 GF2 H4' H 1 4.464 . . 1 . . . . A 6 GF2 H4' . 36621 1
51 . 1 . 1 6 6 GF2 H5' H 1 3.958 . . . . . . . A 6 GF2 H5' . 36621 1
52 . 1 . 1 6 6 GF2 H5'A H 1 4.203 . . . . . . . A 6 GF2 H5'A . 36621 1
53 . 1 . 1 6 6 GF2 H6 H 1 1.918 . . . . . . . A 6 GF2 H6 . 36621 1
54 . 1 . 1 6 6 GF2 H7 H 1 2.905 . . . . . . . A 6 GF2 H7 . 36621 1
55 . 1 . 1 6 6 GF2 H8 H 1 7.858 . . 1 . . . . A 6 GF2 H8 . 36621 1
56 . 1 . 1 6 6 GF2 H9 H 1 5.365 . . . . . . . A 6 GF2 H9 . 36621 1
57 . 1 . 1 6 6 GF2 HN1 H 1 1.783 . . 1 . . . . A 6 GF2 HN1 . 36621 1
58 . 1 . 1 6 6 GF2 HN2 H 1 4.373 . . . . . . . A 6 GF2 HN2 . 36621 1
59 . 1 . 1 6 6 GF2 H30 H 1 3.634 . . . . . . . A 6 GF2 H30 . 36621 1
60 . 1 . 1 6 6 GF2 H33 H 1 5.469 . . . . . . . A 6 GF2 H33 . 36621 1
61 . 1 . 1 6 6 GF2 H34 H 1 2.067 . . . . . . . A 6 GF2 H34 . 36621 1
62 . 1 . 1 6 6 GF2 H35 H 1 2.117 . . . . . . . A 6 GF2 H35 . 36621 1
63 . 1 . 1 6 6 GF2 H36 H 1 1.422 . . . . . . . A 6 GF2 H36 . 36621 1
64 . 1 . 1 6 6 GF2 H40 H 1 3.356 . . . . . . . A 6 GF2 H40 . 36621 1
65 . 1 . 1 6 6 GF2 H41 H 1 5.081 . . . . . . . A 6 GF2 H41 . 36621 1
66 . 1 . 1 6 6 GF2 H42 H 1 2.006 . . . . . . . A 6 GF2 H42 . 36621 1
67 . 1 . 1 6 6 GF2 H44 H 1 1.271 . . . . . . . A 6 GF2 H44 . 36621 1
68 . 1 . 1 6 6 GF2 H50 H 1 4.549 . . . . . . . A 6 GF2 H50 . 36621 1
69 . 1 . 1 6 6 GF2 H51 H 1 1.248 . . . . . . . A 6 GF2 H51 . 36621 1
70 . 1 . 1 6 6 GF2 H54 H 1 4.733 . . . . . . . A 6 GF2 H54 . 36621 1
71 . 1 . 1 6 6 GF2 H55 H 1 1.248 . . . . . . . A 6 GF2 H55 . 36621 1
72 . 1 . 1 6 6 GF2 H59 H 1 2.120 . . . . . . . A 6 GF2 H59 . 36621 1
73 . 1 . 1 6 6 GF2 H62 H 1 6.692 . . . . . . . A 6 GF2 H62 . 36621 1
74 . 1 . 1 6 6 GF2 H64 H 1 4.903 . . . . . . . A 6 GF2 H64 . 36621 1
75 . 1 . 1 6 6 GF2 H65 H 1 5.110 . . . . . . . A 6 GF2 H65 . 36621 1
76 . 1 . 1 6 6 GF2 H66 H 1 5.222 . . . . . . . A 6 GF2 H66 . 36621 1
77 . 1 . 1 6 6 GF2 HN2A H 1 6.262 . . . . . . . A 6 GF2 HN2A . 36621 1
78 . 1 . 1 7 7 DT H1' H 1 6.573 . . 1 . . . . A 7 DT H1' . 36621 1
79 . 1 . 1 7 7 DT H2' H 1 2.445 . . . . . . . A 7 DT H2' . 36621 1
80 . 1 . 1 7 7 DT H3' H 1 5.105 . . 1 . . . . A 7 DT H3' . 36621 1
81 . 1 . 1 7 7 DT H4' H 1 5.098 . . 1 . . . . A 7 DT H4' . 36621 1
82 . 1 . 1 7 7 DT H5' H 1 3.767 . . . . . . . A 7 DT H5' . 36621 1
83 . 1 . 1 7 7 DT H5'' H 1 4.218 . . . . . . . A 7 DT H5'' . 36621 1
84 . 1 . 1 7 7 DT H6 H 1 7.854 . . 1 . . . . A 7 DT H6 . 36621 1
85 . 1 . 1 7 7 DT H71 H 1 2.036 . . 1 . . . . A 7 DT H71 . 36621 1
86 . 1 . 1 7 7 DT H72 H 1 2.036 . . 1 . . . . A 7 DT H72 . 36621 1
87 . 1 . 1 7 7 DT H73 H 1 2.036 . . 1 . . . . A 7 DT H73 . 36621 1
88 . 1 . 1 8 8 DT H1' H 1 6.397 . . 1 . . . . A 8 DT H1' . 36621 1
89 . 1 . 1 8 8 DT H2' H 1 2.338 . . . . . . . A 8 DT H2' . 36621 1
90 . 1 . 1 8 8 DT H2'' H 1 2.404 . . . . . . . A 8 DT H2'' . 36621 1
91 . 1 . 1 8 8 DT H3' H 1 4.635 . . 1 . . . . A 8 DT H3' . 36621 1
92 . 1 . 1 8 8 DT H4' H 1 4.543 . . 1 . . . . A 8 DT H4' . 36621 1
93 . 1 . 1 8 8 DT H5' H 1 3.774 . . . . . . . A 8 DT H5' . 36621 1
94 . 1 . 1 8 8 DT H5'' H 1 4.231 . . . . . . . A 8 DT H5'' . 36621 1
95 . 1 . 1 8 8 DT H6 H 1 7.831 . . 1 . . . . A 8 DT H6 . 36621 1
96 . 1 . 1 8 8 DT H71 H 1 2.027 . . 1 . . . . A 8 DT H71 . 36621 1
97 . 1 . 1 8 8 DT H72 H 1 2.027 . . 1 . . . . A 8 DT H72 . 36621 1
98 . 1 . 1 8 8 DT H73 H 1 2.027 . . 1 . . . . A 8 DT H73 . 36621 1
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