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 51337
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '5caC-containing 12mer dsDNA pH 7.0'
_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-13C HSQC' . . . 51337 1
2 '2D 1H-15N HSQC' . . . 51337 1
3 '2D 1H-1H NOESY' . . . 51337 1
stop_
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
1 $software_1 . . 51337 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 DG H1' H 1 5.969 0.001 . 1 . . . . . 1 G H1' . 51337 1
2 . 1 . 1 1 1 DG H2' H 1 2.565 0.001 . 1 . . . . . 1 G H2' . 51337 1
3 . 1 . 1 1 1 DG H2'' H 1 2.757 0.001 . 1 . . . . . 1 G H2'' . 51337 1
4 . 1 . 1 1 1 DG H3' H 1 4.836 0.002 . 1 . . . . . 1 G H3' . 51337 1
5 . 1 . 1 1 1 DG H5' H 1 3.704 0.000 . 1 . . . . . 1 G H5' . 51337 1
6 . 1 . 1 1 1 DG H8 H 1 7.934 0.001 . 1 . . . . . 1 G H8 . 51337 1
7 . 1 . 1 1 1 DG C8 C 13 136.175 0.000 . 1 . . . . . 1 G C8 . 51337 1
8 . 1 . 1 2 2 DC H1' H 1 5.673 0.001 . 1 . . . . . 2 C H1' . 51337 1
9 . 1 . 1 2 2 DC H2' H 1 2.027 0.001 . 1 . . . . . 2 C H2' . 51337 1
10 . 1 . 1 2 2 DC H2'' H 1 2.393 0.003 . 1 . . . . . 2 C H2'' . 51337 1
11 . 1 . 1 2 2 DC H3' H 1 4.848 0.001 . 1 . . . . . 2 C H3' . 51337 1
12 . 1 . 1 2 2 DC H5 H 1 5.381 0.001 . 1 . . . . . 2 C H5 . 51337 1
13 . 1 . 1 2 2 DC H6 H 1 7.365 0.000 . 1 . . . . . 2 C H6 . 51337 1
14 . 1 . 1 2 2 DC H41 H 1 8.421 0.000 . 1 . . . . . 2 C H41 . 51337 1
15 . 1 . 1 2 2 DC H42 H 1 6.439 0.000 . 1 . . . . . 2 C H42 . 51337 1
16 . 1 . 1 2 2 DC C6 C 13 140.163 0.000 . 1 . . . . . 2 C C6 . 51337 1
17 . 1 . 1 3 3 DG H1 H 1 12.717 0.002 . 1 . . . . . 3 G H1 . 51337 1
18 . 1 . 1 3 3 DG H1' H 1 5.646 0.003 . 1 . . . . . 3 G H1' . 51337 1
19 . 1 . 1 3 3 DG H2' H 1 2.693 0.000 . 1 . . . . . 3 G H2' . 51337 1
20 . 1 . 1 3 3 DG H2'' H 1 2.813 0.001 . 1 . . . . . 3 G H2'' . 51337 1
21 . 1 . 1 3 3 DG H3' H 1 5.011 0.000 . 1 . . . . . 3 G H3' . 51337 1
22 . 1 . 1 3 3 DG H8 H 1 7.876 0.001 . 1 . . . . . 3 G H8 . 51337 1
23 . 1 . 1 3 3 DG C8 C 13 135.606 0.000 . 1 . . . . . 3 G C8 . 51337 1
24 . 1 . 1 3 3 DG N1 N 15 147.219 0.000 . 1 . . . . . 3 G N1 . 51337 1
25 . 1 . 1 4 4 DA H1' H 1 6.228 0.002 . 1 . . . . . 4 A H1' . 51337 1
26 . 1 . 1 4 4 DA H2 H 1 7.774 0.001 . 1 . . . . . 4 A H2 . 51337 1
27 . 1 . 1 4 4 DA H2' H 1 2.567 0.000 . 1 . . . . . 4 A H2' . 51337 1
28 . 1 . 1 4 4 DA H2'' H 1 2.926 0.001 . 1 . . . . . 4 A H2'' . 51337 1
29 . 1 . 1 4 4 DA H3' H 1 5.007 0.001 . 1 . . . . . 4 A H3' . 51337 1
30 . 1 . 1 4 4 DA H8 H 1 8.159 0.001 . 1 . . . . . 4 A H8 . 51337 1
31 . 1 . 1 4 4 DA C8 C 13 138.596 0.000 . 1 . . . . . 4 A C8 . 51337 1
32 . 1 . 1 5 5 DT H1' H 1 5.845 0.005 . 1 . . . . . 5 T H1' . 51337 1
33 . 1 . 1 5 5 DT H2' H 1 1.926 0.001 . 1 . . . . . 5 T H2' . 51337 1
34 . 1 . 1 5 5 DT H2'' H 1 2.466 0.004 . 1 . . . . . 5 T H2'' . 51337 1
35 . 1 . 1 5 5 DT H3 H 1 13.360 0.003 . 1 . . . . . 5 T H3 . 51337 1
36 . 1 . 1 5 5 DT H3' H 1 4.837 0.000 . 1 . . . . . 5 T H3' . 51337 1
37 . 1 . 1 5 5 DT H6 H 1 6.860 0.000 . 1 . . . . . 5 T H6 . 51337 1
38 . 1 . 1 5 5 DT H71 H 1 1.296 0.000 . 1 . . . . . 5 T H71 . 51337 1
39 . 1 . 1 5 5 DT H72 H 1 1.296 0.000 . 1 . . . . . 5 T H72 . 51337 1
40 . 1 . 1 5 5 DT H73 H 1 1.296 0.000 . 1 . . . . . 5 T H73 . 51337 1
41 . 1 . 1 5 5 DT C6 C 13 135.260 0.000 . 1 . . . . . 5 T C6 . 51337 1
42 . 1 . 1 5 5 DT N3 N 15 158.771 0.000 . 1 . . . . . 5 T N3 . 51337 1
43 . 1 . 1 6 6 1CC H1' H 1 5.537 0.001 . 1 . . . . . 6 caC H1' . 51337 1
44 . 1 . 1 6 6 1CC H2' H 1 2.024 0.002 . 1 . . . . . 6 caC H2' . 51337 1
45 . 1 . 1 6 6 1CC H2'' H 1 2.373 0.001 . 1 . . . . . 6 caC H2'' . 51337 1
46 . 1 . 1 6 6 1CC H3' H 1 4.811 0.001 . 1 . . . . . 6 caC H3' . 51337 1
47 . 1 . 1 6 6 1CC H6 H 1 7.949 0.003 . 1 . . . . . 6 caC H6 . 51337 1
48 . 1 . 1 6 6 1CC H41 H 1 8.785 0.000 . 1 . . . . . 6 caC H41 . 51337 1
49 . 1 . 1 6 6 1CC H42 H 1 8.581 0.001 . 1 . . . . . 6 caC H42 . 51337 1
50 . 1 . 1 7 7 DG H1 H 1 12.437 0.000 . 1 . . . . . 7 G H1 . 51337 1
51 . 1 . 1 7 7 DG H1' H 1 5.644 0.001 . 1 . . . . . 7 G H1' . 51337 1
52 . 1 . 1 7 7 DG H2' H 1 2.675 0.002 . 1 . . . . . 7 G H2' . 51337 1
53 . 1 . 1 7 7 DG H2'' H 1 2.777 0.001 . 1 . . . . . 7 G H2'' . 51337 1
54 . 1 . 1 7 7 DG H3' H 1 4.987 0.000 . 1 . . . . . 7 G H3' . 51337 1
55 . 1 . 1 7 7 DG H8 H 1 7.854 0.003 . 1 . . . . . 7 G H8 . 51337 1
56 . 1 . 1 7 7 DG C8 C 13 135.782 0.000 . 1 . . . . . 7 G C8 . 51337 1
57 . 1 . 1 7 7 DG N1 N 15 146.746 0.000 . 1 . . . . . 7 G N1 . 51337 1
58 . 1 . 1 8 8 DA H1' H 1 6.199 0.001 . 1 . . . . . 8 A H1' . 51337 1
59 . 1 . 1 8 8 DA H2 H 1 7.754 0.000 . 1 . . . . . 8 A H2 . 51337 1
60 . 1 . 1 8 8 DA H2' H 1 2.558 0.001 . 1 . . . . . 8 A H2' . 51337 1
61 . 1 . 1 8 8 DA H2'' H 1 2.886 0.000 . 1 . . . . . 8 A H2'' . 51337 1
62 . 1 . 1 8 8 DA H3' H 1 4.968 0.001 . 1 . . . . . 8 A H3' . 51337 1
63 . 1 . 1 8 8 DA H8 H 1 8.090 0.000 . 1 . . . . . 8 A H8 . 51337 1
64 . 1 . 1 8 8 DA C8 C 13 138.302 0.000 . 1 . . . . . 8 A C8 . 51337 1
65 . 1 . 1 9 9 DT H1' H 1 5.892 0.001 . 1 . . . . . 9 T H1' . 51337 1
66 . 1 . 1 9 9 DT H2' H 1 2.022 0.001 . 1 . . . . . 9 T H2' . 51337 1
67 . 1 . 1 9 9 DT H2'' H 1 2.426 0.000 . 1 . . . . . 9 T H2'' . 51337 1
68 . 1 . 1 9 9 DT H3 H 1 13.498 0.003 . 1 . . . . . 9 T H3 . 51337 1
69 . 1 . 1 9 9 DT H3' H 1 4.829 0.001 . 1 . . . . . 9 T H3' . 51337 1
70 . 1 . 1 9 9 DT H6 H 1 7.131 0.000 . 1 . . . . . 9 T H6 . 51337 1
71 . 1 . 1 9 9 DT H71 H 1 1.306 0.000 . 1 . . . . . 9 T H71 . 51337 1
72 . 1 . 1 9 9 DT H72 H 1 1.306 0.000 . 1 . . . . . 9 T H72 . 51337 1
73 . 1 . 1 9 9 DT H73 H 1 1.306 0.000 . 1 . . . . . 9 T H73 . 51337 1
74 . 1 . 1 9 9 DT C6 C 13 135.760 0.000 . 1 . . . . . 9 T C6 . 51337 1
75 . 1 . 1 9 9 DT N3 N 15 158.918 0.000 . 1 . . . . . 9 T N3 . 51337 1
76 . 1 . 1 10 10 DC H1' H 1 5.695 0.001 . 1 . . . . . 10 C H1' . 51337 1
77 . 1 . 1 10 10 DC H2' H 1 2.011 0.002 . 1 . . . . . 10 C H2' . 51337 1
78 . 1 . 1 10 10 DC H2'' H 1 2.381 0.001 . 1 . . . . . 10 C H2'' . 51337 1
79 . 1 . 1 10 10 DC H3' H 1 4.826 0.002 . 1 . . . . . 10 C H3' . 51337 1
80 . 1 . 1 10 10 DC H5 H 1 5.587 0.000 . 1 . . . . . 10 C H5 . 51337 1
81 . 1 . 1 10 10 DC H6 H 1 7.417 0.001 . 1 . . . . . 10 C H6 . 51337 1
82 . 1 . 1 10 10 DC H41 H 1 8.386 0.000 . 1 . . . . . 10 C H41 . 51337 1
83 . 1 . 1 10 10 DC H42 H 1 6.699 0.000 . 1 . . . . . 10 C H42 . 51337 1
84 . 1 . 1 10 10 DC C6 C 13 140.901 0.000 . 1 . . . . . 10 C C6 . 51337 1
85 . 1 . 1 11 11 DG H1 H 1 13.009 0.001 . 1 . . . . . 11 G H1 . 51337 1
86 . 1 . 1 11 11 DG H1' H 1 5.945 0.000 . 1 . . . . . 11 G H1' . 51337 1
87 . 1 . 1 11 11 DG H2' H 1 2.604 0.000 . 1 . . . . . 11 G H2' . 51337 1
88 . 1 . 1 11 11 DG H2'' H 1 2.721 0.002 . 1 . . . . . 11 G H2'' . 51337 1
89 . 1 . 1 11 11 DG H3' H 1 4.967 0.000 . 1 . . . . . 11 G H3' . 51337 1
90 . 1 . 1 11 11 DG H8 H 1 7.896 0.000 . 1 . . . . . 11 G H8 . 51337 1
91 . 1 . 1 11 11 DG C8 C 13 135.652 0.000 . 1 . . . . . 11 G C8 . 51337 1
92 . 1 . 1 11 11 DG N1 N 15 147.442 0.000 . 1 . . . . . 11 G N1 . 51337 1
93 . 1 . 1 12 12 DC H1' H 1 6.185 0.000 . 1 . . . . . 12 C H1' . 51337 1
94 . 1 . 1 12 12 DC H2' H 1 2.152 0.000 . 1 . . . . . 12 C H2' . 51337 1
95 . 1 . 1 12 12 DC H2'' H 1 2.179 0.000 . 1 . . . . . 12 C H2'' . 51337 1
96 . 1 . 1 12 12 DC H3' H 1 4.492 0.001 . 1 . . . . . 12 C H3' . 51337 1
97 . 1 . 1 12 12 DC H5 H 1 5.523 0.000 . 1 . . . . . 12 C H5 . 51337 1
98 . 1 . 1 12 12 DC H6 H 1 7.460 0.001 . 1 . . . . . 12 C H6 . 51337 1
99 . 1 . 1 12 12 DC C6 C 13 140.623 0.000 . 1 . . . . . 12 C C6 . 51337 1
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save_