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 53657
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name GTT-G5FdU-pH6p8-H1'/H2'/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 .
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' . . . 53657 1
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loop_
_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 . . 53657 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 12.797 0.001 . 1 . . . . . 1 G H1 . 53657 1
2 . 1 . 1 1 1 DG H1' H 1 5.617 0.000 . 1 . . . . . 1 G H1' . 53657 1
3 . 1 . 1 1 1 DG H2' H 1 2.283 0.001 . 1 . . . . . 1 G H2' . 53657 1
4 . 1 . 1 1 1 DG H2'' H 1 2.424 0.002 . 1 . . . . . 1 G H2'' . 53657 1
5 . 1 . 1 1 1 DG H8 H 1 7.637 0.003 . 1 . . . . . 1 G H8 . 53657 1
6 . 1 . 1 2 2 DC H1' H 1 5.115 0.001 . 1 . . . . . 2 C H1' . 53657 1
7 . 1 . 1 2 2 DC H2' H 1 1.814 0.003 . 1 . . . . . 2 C H2' . 53657 1
8 . 1 . 1 2 2 DC H2'' H 1 2.068 0.000 . 1 . . . . . 2 C H2'' . 53657 1
9 . 1 . 1 2 2 DC H5 H 1 5.085 0.001 . 1 . . . . . 2 C H5 . 53657 1
10 . 1 . 1 2 2 DC H6 H 1 7.143 0.001 . 1 . . . . . 2 C H6 . 53657 1
11 . 1 . 1 2 2 DC H41 H 1 8.214 0.002 . 1 . . . . . 2 C H41 . 53657 1
12 . 1 . 1 2 2 DC H42 H 1 6.272 0.003 . 1 . . . . . 2 C H42 . 53657 1
13 . 1 . 1 3 3 DA H1' H 1 5.797 0.001 . 1 . . . . . 3 A H1' . 53657 1
14 . 1 . 1 3 3 DA H2 H 1 7.374 0.001 . 1 . . . . . 3 A H2 . 53657 1
15 . 1 . 1 3 3 DA H2' H 1 2.415 0.000 . 1 . . . . . 3 A H2' . 53657 1
16 . 1 . 1 3 3 DA H2'' H 1 2.625 0.000 . 1 . . . . . 3 A H2'' . 53657 1
17 . 1 . 1 3 3 DA H8 H 1 7.855 0.000 . 1 . . . . . 3 A H8 . 53657 1
18 . 1 . 1 3 3 DA H61 H 1 7.604 0.000 . 1 . . . . . 3 A H61 . 53657 1
19 . 1 . 1 3 3 DA H62 H 1 6.036 0.000 . 1 . . . . . 3 A H62 . 53657 1
20 . 1 . 1 4 4 DG H1 H 1 12.705 0.001 . 1 . . . . . 4 G H1 . 53657 1
21 . 1 . 1 4 4 DG H1' H 1 5.476 0.003 . 1 . . . . . 4 G H1' . 53657 1
22 . 1 . 1 4 4 DG H2' H 1 2.170 0.000 . 1 . . . . . 4 G H2' . 53657 1
23 . 1 . 1 4 4 DG H2'' H 1 2.315 0.000 . 1 . . . . . 4 G H2'' . 53657 1
24 . 1 . 1 4 4 DG H8 H 1 7.375 0.001 . 1 . . . . . 4 G H8 . 53657 1
25 . 1 . 1 5 5 UFP H1' H 1 5.397 0.001 . 1 . . . . . 5 5FdU H1' . 53657 1
26 . 1 . 1 5 5 UFP H2' H 1 1.523 0.001 . 1 . . . . . 5 5FdU H2' . 53657 1
27 . 1 . 1 5 5 UFP H2'' H 1 1.992 0.002 . 1 . . . . . 5 5FdU H2'' . 53657 1
28 . 1 . 1 5 5 UFP H6 H 1 7.273 0.002 . 1 . . . . . 5 5FdU H6 . 53657 1
29 . 1 . 1 6 6 DT H1' H 1 5.350 0.001 . 1 . . . . . 6 T H1' . 53657 1
30 . 1 . 1 6 6 DT H2' H 1 1.970 0.002 . 1 . . . . . 6 T H2' . 53657 1
31 . 1 . 1 6 6 DT H2'' H 1 2.154 0.000 . 1 . . . . . 6 T H2'' . 53657 1
32 . 1 . 1 6 6 DT H3 H 1 14.023 0.002 . 1 . . . . . 6 T H3 . 53657 1
33 . 1 . 1 6 6 DT H6 H 1 7.119 0.001 . 1 . . . . . 6 T H6 . 53657 1
34 . 1 . 1 6 6 DT H71 H 1 1.248 0.001 . 2 . . . . . 6 T H71 . 53657 1
35 . 1 . 1 6 6 DT H72 H 1 1.248 0.001 . 2 . . . . . 6 T H72 . 53657 1
36 . 1 . 1 6 6 DT H73 H 1 1.248 0.001 . 2 . . . . . 6 T H73 . 53657 1
37 . 1 . 1 7 7 DG H1 H 1 12.353 0.001 . 1 . . . . . 7 G H1 . 53657 1
38 . 1 . 1 7 7 DG H1' H 1 5.529 0.000 . 1 . . . . . 7 G H1' . 53657 1
39 . 1 . 1 7 7 DG H2' H 1 2.074 0.002 . 1 . . . . . 7 G H2' . 53657 1
40 . 1 . 1 7 7 DG H2'' H 1 2.249 0.001 . 1 . . . . . 7 G H2'' . 53657 1
41 . 1 . 1 7 7 DG H8 H 1 7.444 0.001 . 1 . . . . . 7 G H8 . 53657 1
42 . 1 . 1 8 8 DC H1' H 1 5.507 0.004 . 1 . . . . . 8 C H1' . 53657 1
43 . 1 . 1 8 8 DC H2' H 1 1.409 0.002 . 1 . . . . . 8 C H2' . 53657 1
44 . 1 . 1 8 8 DC H2'' H 1 1.899 0.000 . 1 . . . . . 8 C H2'' . 53657 1
45 . 1 . 1 8 8 DC H5 H 1 4.631 0.001 . 1 . . . . . 8 C H5 . 53657 1
46 . 1 . 1 8 8 DC H6 H 1 6.648 0.001 . 1 . . . . . 8 C H6 . 53657 1
47 . 1 . 1 8 8 DC H41 H 1 8.044 0.003 . 1 . . . . . 8 C H41 . 53657 1
48 . 1 . 1 8 8 DC H42 H 1 6.426 0.001 . 1 . . . . . 8 C H42 . 53657 1
49 . 1 . 1 9 9 DG H8 H 1 7.742 0.003 . 1 . . . . . 9 G H8 . 53657 1
50 . 1 . 1 12 12 DG H1 H 1 12.627 0.000 . 1 . . . . . 12 G H1 . 53657 1
51 . 1 . 1 12 12 DG H1' H 1 5.018 0.002 . 1 . . . . . 12 G H1' . 53657 1
52 . 1 . 1 12 12 DG H2' H 1 2.072 0.003 . 1 . . . . . 12 G H2' . 53657 1
53 . 1 . 1 12 12 DG H2'' H 1 2.276 0.002 . 1 . . . . . 12 G H2'' . 53657 1
54 . 1 . 1 12 12 DG H8 H 1 7.690 0.000 . 1 . . . . . 12 G H8 . 53657 1
55 . 1 . 1 13 13 DC H1' H 1 5.274 0.004 . 1 . . . . . 13 C H1' . 53657 1
56 . 1 . 1 13 13 DC H2' H 1 1.796 0.001 . 1 . . . . . 13 C H2' . 53657 1
57 . 1 . 1 13 13 DC H2'' H 1 2.143 0.002 . 1 . . . . . 13 C H2'' . 53657 1
58 . 1 . 1 13 13 DC H5 H 1 5.038 0.003 . 1 . . . . . 13 C H5 . 53657 1
59 . 1 . 1 13 13 DC H6 H 1 7.092 0.001 . 1 . . . . . 13 C H6 . 53657 1
60 . 1 . 1 13 13 DC H41 H 1 7.923 0.001 . 1 . . . . . 13 C H41 . 53657 1
61 . 1 . 1 13 13 DC H42 H 1 6.113 0.001 . 1 . . . . . 13 C H42 . 53657 1
62 . 1 . 1 14 14 DA H1' H 1 5.745 0.001 . 1 . . . . . 14 A H1' . 53657 1
63 . 1 . 1 14 14 DA H2 H 1 7.073 0.000 . 1 . . . . . 14 A H2 . 53657 1
64 . 1 . 1 14 14 DA H2' H 1 2.411 0.001 . 1 . . . . . 14 A H2' . 53657 1
65 . 1 . 1 14 14 DA H2'' H 1 2.562 0.000 . 1 . . . . . 14 A H2'' . 53657 1
66 . 1 . 1 14 14 DA H8 H 1 7.897 0.001 . 1 . . . . . 14 A H8 . 53657 1
67 . 1 . 1 15 15 DG H1' H 1 5.467 0.002 . 1 . . . . . 15 G H1' . 53657 1
68 . 1 . 1 15 15 DG H2' H 1 2.177 0.002 . 1 . . . . . 15 G H2' . 53657 1
69 . 1 . 1 15 15 DG H2'' H 1 2.276 0.001 . 1 . . . . . 15 G H2'' . 53657 1
70 . 1 . 1 15 15 DG H8 H 1 7.319 0.000 . 1 . . . . . 15 G H8 . 53657 1
71 . 1 . 1 16 16 DC H1' H 1 5.426 0.002 . 1 . . . . . 16 C H1' . 53657 1
72 . 1 . 1 16 16 DC H2' H 1 1.554 0.001 . 1 . . . . . 16 C H2' . 53657 1
73 . 1 . 1 16 16 DC H2'' H 1 2.069 0.001 . 1 . . . . . 16 C H2'' . 53657 1
74 . 1 . 1 16 16 DC H5 H 1 4.846 0.001 . 1 . . . . . 16 C H5 . 53657 1
75 . 1 . 1 16 16 DC H6 H 1 6.940 0.002 . 1 . . . . . 16 C H6 . 53657 1
76 . 1 . 1 16 16 DC H41 H 1 7.578 0.001 . 1 . . . . . 16 C H41 . 53657 1
77 . 1 . 1 16 16 DC H42 H 1 6.295 0.000 . 1 . . . . . 16 C H42 . 53657 1
78 . 1 . 1 17 17 DT H1' H 1 5.447 0.000 . 1 . . . . . 17 T H1' . 53657 1
79 . 1 . 1 17 17 DT H2' H 1 1.777 0.001 . 1 . . . . . 17 T H2' . 53657 1
80 . 1 . 1 17 17 DT H2'' H 1 2.116 0.001 . 1 . . . . . 17 T H2'' . 53657 1
81 . 1 . 1 17 17 DT H3 H 1 13.617 0.001 . 1 . . . . . 17 T H3 . 53657 1
82 . 1 . 1 17 17 DT H6 H 1 7.029 0.000 . 1 . . . . . 17 T H6 . 53657 1
83 . 1 . 1 17 17 DT H71 H 1 1.251 0.001 . 2 . . . . . 17 T H71 . 53657 1
84 . 1 . 1 17 17 DT H72 H 1 1.251 0.001 . 2 . . . . . 17 T H72 . 53657 1
85 . 1 . 1 17 17 DT H73 H 1 1.251 0.001 . 2 . . . . . 17 T H73 . 53657 1
86 . 1 . 1 18 18 DG H1 H 1 12.659 0.001 . 1 . . . . . 18 G H1 . 53657 1
87 . 1 . 1 18 18 DG H1' H 1 5.581 0.000 . 1 . . . . . 18 G H1' . 53657 1
88 . 1 . 1 18 18 DG H2' H 1 2.303 0.001 . 1 . . . . . 18 G H2' . 53657 1
89 . 1 . 1 18 18 DG H2'' H 1 2.392 0.001 . 1 . . . . . 18 G H2'' . 53657 1
90 . 1 . 1 18 18 DG H8 H 1 7.605 0.000 . 1 . . . . . 18 G H8 . 53657 1
91 . 1 . 1 19 19 DC H1' H 1 5.847 0.000 . 1 . . . . . 19 C H1' . 53657 1
92 . 1 . 1 19 19 DC H2' H 1 1.828 0.001 . 1 . . . . . 19 C H2' . 53657 1
93 . 1 . 1 19 19 DC H5 H 1 5.140 0.002 . 1 . . . . . 19 C H5 . 53657 1
94 . 1 . 1 19 19 DC H6 H 1 7.136 0.001 . 1 . . . . . 19 C H6 . 53657 1
95 . 1 . 1 19 19 DC H41 H 1 7.951 0.001 . 1 . . . . . 19 C H41 . 53657 1
96 . 1 . 1 19 19 DC H42 H 1 6.460 0.000 . 1 . . . . . 19 C H42 . 53657 1
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