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 53626
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name TTT-GT-pH6p8-H1'H6/H8
_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 .
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_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' . . . 53626 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 53626 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 DG H1 H 1 12.799 0.001 . 1 . . . . . 1 G H1 . 53626 1
2 . 1 . 1 1 1 DG H1' H 1 5.612 0.000 . 1 . . . . . 1 G H1' . 53626 1
3 . 1 . 1 1 1 DG H2' H 1 2.268 0.001 . 1 . . . . . 1 G H2' . 53626 1
4 . 1 . 1 1 1 DG H2'' H 1 2.419 0.000 . 1 . . . . . 1 G H2'' . 53626 1
5 . 1 . 1 1 1 DG H8 H 1 7.629 0.001 . 1 . . . . . 1 G H8 . 53626 1
6 . 1 . 1 2 2 DC H1' H 1 5.085 0.001 . 1 . . . . . 2 C H1' . 53626 1
7 . 1 . 1 2 2 DC H2' H 1 1.733 0.000 . 1 . . . . . 2 C H2' . 53626 1
8 . 1 . 1 2 2 DC H2'' H 1 2.006 0.001 . 1 . . . . . 2 C H2'' . 53626 1
9 . 1 . 1 2 2 DC H5 H 1 5.087 0.001 . 1 . . . . . 2 C H5 . 53626 1
10 . 1 . 1 2 2 DC H6 H 1 7.101 0.001 . 1 . . . . . 2 C H6 . 53626 1
11 . 1 . 1 2 2 DC H41 H 1 8.199 0.002 . 1 . . . . . 2 C H41 . 53626 1
12 . 1 . 1 2 2 DC H42 H 1 6.224 0.001 . 1 . . . . . 2 C H42 . 53626 1
13 . 1 . 1 3 3 DA H1' H 1 5.652 0.000 . 1 . . . . . 3 A H1' . 53626 1
14 . 1 . 1 3 3 DA H2 H 1 7.084 0.001 . 1 . . . . . 3 A H2 . 53626 1
15 . 1 . 1 3 3 DA H2' H 1 2.400 0.000 . 1 . . . . . 3 A H2' . 53626 1
16 . 1 . 1 3 3 DA H2'' H 1 2.536 0.001 . 1 . . . . . 3 A H2'' . 53626 1
17 . 1 . 1 3 3 DA H8 H 1 7.863 0.000 . 1 . . . . . 3 A H8 . 53626 1
18 . 1 . 1 3 3 DA H61 H 1 5.955 0.000 . 1 . . . . . 3 A H61 . 53626 1
19 . 1 . 1 3 3 DA H62 H 1 7.056 0.000 . 1 . . . . . 3 A H62 . 53626 1
20 . 1 . 1 4 4 DA H1' H 1 5.771 0.001 . 1 . . . . . 4 A H1' . 53626 1
21 . 1 . 1 4 4 DA H2 H 1 7.315 0.001 . 1 . . . . . 4 A H2 . 53626 1
22 . 1 . 1 4 4 DA H2' H 1 2.210 0.000 . 1 . . . . . 4 A H2' . 53626 1
23 . 1 . 1 4 4 DA H2'' H 1 2.407 0.001 . 1 . . . . . 4 A H2'' . 53626 1
24 . 1 . 1 4 4 DA H8 H 1 7.742 0.000 . 1 . . . . . 4 A H8 . 53626 1
25 . 1 . 1 4 4 DA H61 H 1 6.027 0.000 . 1 . . . . . 4 A H61 . 53626 1
26 . 1 . 1 4 4 DA H62 H 1 7.373 0.009 . 1 . . . . . 4 A H62 . 53626 1
27 . 1 . 1 5 5 DT H2' H 1 1.602 0.001 . 1 . . . . . 5 T H2' . 53626 1
28 . 1 . 1 5 5 DT H2'' H 1 1.680 0.001 . 1 . . . . . 5 T H2'' . 53626 1
29 . 1 . 1 5 5 DT H3 H 1 11.145 0.001 . 1 . . . . . 5 T H3 . 53626 1
30 . 1 . 1 5 5 DT H6 H 1 6.706 0.001 . 1 . . . . . 5 T H6 . 53626 1
31 . 1 . 1 5 5 DT H71 H 1 1.407 0.001 . 2 . . . . . 5 T H71 . 53626 1
32 . 1 . 1 5 5 DT H72 H 1 1.407 0.001 . 2 . . . . . 5 T H72 . 53626 1
33 . 1 . 1 5 5 DT H73 H 1 1.407 0.001 . 2 . . . . . 5 T H73 . 53626 1
34 . 1 . 1 6 6 DA H1' H 1 5.726 0.001 . 1 . . . . . 6 A H1' . 53626 1
35 . 1 . 1 6 6 DA H2 H 1 6.933 0.001 . 1 . . . . . 6 A H2 . 53626 1
36 . 1 . 1 6 6 DA H2' H 1 2.401 0.000 . 1 . . . . . 6 A H2' . 53626 1
37 . 1 . 1 6 6 DA H2'' H 1 2.541 0.001 . 1 . . . . . 6 A H2'' . 53626 1
38 . 1 . 1 6 6 DA H8 H 1 7.831 0.001 . 1 . . . . . 6 A H8 . 53626 1
39 . 1 . 1 6 6 DA H61 H 1 5.887 0.003 . 1 . . . . . 6 A H61 . 53626 1
40 . 1 . 1 6 6 DA H62 H 1 7.449 0.000 . 1 . . . . . 6 A H62 . 53626 1
41 . 1 . 1 7 7 DG H1 H 1 12.458 0.001 . 1 . . . . . 7 G H1 . 53626 1
42 . 1 . 1 7 7 DG H1' H 1 5.397 0.000 . 1 . . . . . 7 G H1' . 53626 1
43 . 1 . 1 7 7 DG H2' H 1 1.831 0.002 . 1 . . . . . 7 G H2' . 53626 1
44 . 1 . 1 7 7 DG H2'' H 1 2.141 0.001 . 1 . . . . . 7 G H2'' . 53626 1
45 . 1 . 1 7 7 DG H8 H 1 7.096 0.000 . 1 . . . . . 7 G H8 . 53626 1
46 . 1 . 1 8 8 DC H1' H 1 5.475 0.001 . 1 . . . . . 8 C H1' . 53626 1
47 . 1 . 1 8 8 DC H2' H 1 1.320 0.000 . 1 . . . . . 8 C H2' . 53626 1
48 . 1 . 1 8 8 DC H2'' H 1 1.854 0.000 . 1 . . . . . 8 C H2'' . 53626 1
49 . 1 . 1 8 8 DC H5 H 1 4.473 0.000 . 1 . . . . . 8 C H5 . 53626 1
50 . 1 . 1 8 8 DC H6 H 1 6.546 0.001 . 1 . . . . . 8 C H6 . 53626 1
51 . 1 . 1 8 8 DC H41 H 1 7.942 0.001 . 1 . . . . . 8 C H41 . 53626 1
52 . 1 . 1 8 8 DC H42 H 1 6.282 0.001 . 1 . . . . . 8 C H42 . 53626 1
53 . 1 . 1 9 9 DG H8 H 1 7.719 0.001 . 1 . . . . . 9 G H8 . 53626 1
54 . 1 . 1 12 12 DG H1 H 1 12.558 0.001 . 1 . . . . . 12 G H1 . 53626 1
55 . 1 . 1 12 12 DG H1' H 1 5.082 0.001 . 1 . . . . . 12 G H1' . 53626 1
56 . 1 . 1 12 12 DG H2' H 1 2.112 0.002 . 1 . . . . . 12 G H2' . 53626 1
57 . 1 . 1 12 12 DG H2'' H 1 2.326 0.000 . 1 . . . . . 12 G H2'' . 53626 1
58 . 1 . 1 12 12 DG H8 H 1 7.718 0.001 . 1 . . . . . 12 G H8 . 53626 1
59 . 1 . 1 13 13 DC H1' H 1 5.748 0.000 . 1 . . . . . 13 C H1' . 53626 1
60 . 1 . 1 13 13 DC H2' H 1 1.866 0.000 . 1 . . . . . 13 C H2' . 53626 1
61 . 1 . 1 13 13 DC H2'' H 1 2.230 0.001 . 1 . . . . . 13 C H2'' . 53626 1
62 . 1 . 1 13 13 DC H5 H 1 4.985 0.001 . 1 . . . . . 13 C H5 . 53626 1
63 . 1 . 1 13 13 DC H6 H 1 7.187 0.001 . 1 . . . . . 13 C H6 . 53626 1
64 . 1 . 1 13 13 DC H41 H 1 7.799 0.000 . 1 . . . . . 13 C H41 . 53626 1
65 . 1 . 1 13 13 DC H42 H 1 6.218 0.001 . 1 . . . . . 13 C H42 . 53626 1
66 . 1 . 1 14 14 DT H1' H 1 5.655 0.001 . 1 . . . . . 14 T H1' . 53626 1
67 . 1 . 1 14 14 DT H2' H 1 2.048 0.001 . 1 . . . . . 14 T H2' . 53626 1
68 . 1 . 1 14 14 DT H2'' H 1 2.331 0.000 . 1 . . . . . 14 T H2'' . 53626 1
69 . 1 . 1 14 14 DT H3 H 1 13.530 0.001 . 1 . . . . . 14 T H3 . 53626 1
70 . 1 . 1 14 14 DT H6 H 1 7.118 0.001 . 1 . . . . . 14 T H6 . 53626 1
71 . 1 . 1 14 14 DT H71 H 1 1.317 0.001 . 2 . . . . . 14 T H71 . 53626 1
72 . 1 . 1 14 14 DT H72 H 1 1.317 0.001 . 2 . . . . . 14 T H72 . 53626 1
73 . 1 . 1 14 14 DT H73 H 1 1.317 0.001 . 2 . . . . . 14 T H73 . 53626 1
74 . 1 . 1 15 15 DG H1 H 1 9.486 0.001 . 1 . . . . . 15 G H1 . 53626 1
75 . 1 . 1 15 15 DG H1' H 1 5.592 0.001 . 1 . . . . . 15 G H1' . 53626 1
76 . 1 . 1 15 15 DG H2' H 1 2.126 0.001 . 1 . . . . . 15 G H2' . 53626 1
77 . 1 . 1 15 15 DG H2'' H 1 2.399 0.001 . 1 . . . . . 15 G H2'' . 53626 1
78 . 1 . 1 15 15 DG H8 H 1 7.453 0.001 . 1 . . . . . 15 G H8 . 53626 1
79 . 1 . 1 15 15 DG H21 H 1 4.917 0.001 . 1 . . . . . 15 G H21 . 53626 1
80 . 1 . 1 15 15 DG H22 H 1 4.917 0.001 . 1 . . . . . 15 G H22 . 53626 1
81 . 1 . 1 16 16 DT H1' H 1 5.585 0.001 . 1 . . . . . 16 T H1' . 53626 1
82 . 1 . 1 16 16 DT H2' H 1 1.666 0.002 . 1 . . . . . 16 T H2' . 53626 1
83 . 1 . 1 16 16 DT H2'' H 1 2.149 0.000 . 1 . . . . . 16 T H2'' . 53626 1
84 . 1 . 1 16 16 DT H3 H 1 13.687 0.001 . 1 . . . . . 16 T H3 . 53626 1
85 . 1 . 1 16 16 DT H6 H 1 6.901 0.002 . 1 . . . . . 16 T H6 . 53626 1
86 . 1 . 1 16 16 DT H71 H 1 0.955 0.000 . 2 . . . . . 16 T H71 . 53626 1
87 . 1 . 1 16 16 DT H72 H 1 0.955 0.000 . 2 . . . . . 16 T H72 . 53626 1
88 . 1 . 1 16 16 DT H73 H 1 0.955 0.000 . 2 . . . . . 16 T H73 . 53626 1
89 . 1 . 1 17 17 DT H1' H 1 5.457 0.001 . 1 . . . . . 17 T H1' . 53626 1
90 . 1 . 1 17 17 DT H2' H 1 1.784 0.001 . 1 . . . . . 17 T H2' . 53626 1
91 . 1 . 1 17 17 DT H2'' H 1 2.097 0.001 . 1 . . . . . 17 T H2'' . 53626 1
92 . 1 . 1 17 17 DT H3 H 1 13.711 0.001 . 1 . . . . . 17 T H3 . 53626 1
93 . 1 . 1 17 17 DT H6 H 1 7.032 0.001 . 1 . . . . . 17 T H6 . 53626 1
94 . 1 . 1 17 17 DT H71 H 1 1.284 0.001 . 2 . . . . . 17 T H71 . 53626 1
95 . 1 . 1 17 17 DT H72 H 1 1.284 0.001 . 2 . . . . . 17 T H72 . 53626 1
96 . 1 . 1 17 17 DT H73 H 1 1.284 0.001 . 2 . . . . . 17 T H73 . 53626 1
97 . 1 . 1 18 18 DG H1 H 1 12.580 0.000 . 1 . . . . . 18 G H1 . 53626 1
98 . 1 . 1 18 18 DG H1' H 1 5.581 0.001 . 1 . . . . . 18 G H1' . 53626 1
99 . 1 . 1 18 18 DG H2' H 1 2.306 0.000 . 1 . . . . . 18 G H2' . 53626 1
100 . 1 . 1 18 18 DG H2'' H 1 2.384 0.000 . 1 . . . . . 18 G H2'' . 53626 1
101 . 1 . 1 18 18 DG H8 H 1 7.608 0.001 . 1 . . . . . 18 G H8 . 53626 1
102 . 1 . 1 19 19 DC H1' H 1 5.856 0.000 . 1 . . . . . 19 C H1' . 53626 1
103 . 1 . 1 19 19 DC H2' H 1 1.829 0.000 . 1 . . . . . 19 C H2' . 53626 1
104 . 1 . 1 19 19 DC H5 H 1 5.131 0.000 . 1 . . . . . 19 C H5 . 53626 1
105 . 1 . 1 19 19 DC H6 H 1 7.145 0.000 . 1 . . . . . 19 C H6 . 53626 1
106 . 1 . 1 19 19 DC H41 H 1 7.943 0.001 . 1 . . . . . 19 C H41 . 53626 1
107 . 1 . 1 19 19 DC H42 H 1 6.446 0.001 . 1 . . . . . 19 C H42 . 53626 1
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