Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 51337
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name '5caC-containing 12mer dsDNA pH 4.7'
_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
7 '2D 1H-13C HSQC' . . . 51337 3
8 '2D 1H-15N HSQC' . . . 51337 3
9 '2D 1H-1H NOESY' . . . 51337 3
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 3
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 5.968 0.000 . 1 . . . . . 1 G H1' . 51337 3
2 . 1 . 1 1 1 DG H2' H 1 2.560 0.001 . 1 . . . . . 1 G H2' . 51337 3
3 . 1 . 1 1 1 DG H2'' H 1 2.731 0.002 . 1 . . . . . 1 G H2'' . 51337 3
4 . 1 . 1 1 1 DG H3' H 1 4.824 0.001 . 1 . . . . . 1 G H3' . 51337 3
5 . 1 . 1 1 1 DG H8 H 1 7.921 0.000 . 1 . . . . . 1 G H8 . 51337 3
6 . 1 . 1 1 1 DG C8 C 13 136.341 0.000 . 1 . . . . . 1 G C8 . 51337 3
7 . 1 . 1 2 2 DC H1' H 1 5.646 0.000 . 1 . . . . . 2 C H1' . 51337 3
8 . 1 . 1 2 2 DC H2' H 1 2.037 0.000 . 1 . . . . . 2 C H2' . 51337 3
9 . 1 . 1 2 2 DC H2'' H 1 2.390 0.001 . 1 . . . . . 2 C H2'' . 51337 3
10 . 1 . 1 2 2 DC H3' H 1 4.842 0.001 . 1 . . . . . 2 C H3' . 51337 3
11 . 1 . 1 2 2 DC H5 H 1 5.418 0.001 . 1 . . . . . 2 C H5 . 51337 3
12 . 1 . 1 2 2 DC H6 H 1 7.379 0.000 . 1 . . . . . 2 C H6 . 51337 3
13 . 1 . 1 2 2 DC H41 H 1 8.422 0.000 . 1 . . . . . 2 C H41 . 51337 3
14 . 1 . 1 2 2 DC H42 H 1 6.515 0.000 . 1 . . . . . 2 C H42 . 51337 3
15 . 1 . 1 2 2 DC C6 C 13 140.263 0.000 . 1 . . . . . 2 C C6 . 51337 3
16 . 1 . 1 3 3 DG H1 H 1 12.706 0.001 . 1 . . . . . 3 G H1 . 51337 3
17 . 1 . 1 3 3 DG H1' H 1 5.642 0.001 . 1 . . . . . 3 G H1' . 51337 3
18 . 1 . 1 3 3 DG H2' H 1 2.700 0.001 . 1 . . . . . 3 G H2' . 51337 3
19 . 1 . 1 3 3 DG H2'' H 1 2.805 0.001 . 1 . . . . . 3 G H2'' . 51337 3
20 . 1 . 1 3 3 DG H3' H 1 5.010 0.001 . 1 . . . . . 3 G H3' . 51337 3
21 . 1 . 1 3 3 DG H8 H 1 7.885 0.001 . 1 . . . . . 3 G H8 . 51337 3
22 . 1 . 1 3 3 DG C8 C 13 135.640 0.000 . 1 . . . . . 3 G C8 . 51337 3
23 . 1 . 1 3 3 DG N1 N 15 147.209 0.000 . 1 . . . . . 3 G N1 . 51337 3
24 . 1 . 1 4 4 DA H1' H 1 6.232 0.002 . 1 . . . . . 4 A H1' . 51337 3
25 . 1 . 1 4 4 DA H2 H 1 7.777 0.000 . 1 . . . . . 4 A H2 . 51337 3
26 . 1 . 1 4 4 DA H2' H 1 2.597 0.001 . 1 . . . . . 4 A H2' . 51337 3
27 . 1 . 1 4 4 DA H2'' H 1 2.918 0.001 . 1 . . . . . 4 A H2'' . 51337 3
28 . 1 . 1 4 4 DA H3' H 1 4.984 0.000 . 1 . . . . . 4 A H3' . 51337 3
29 . 1 . 1 4 4 DA H8 H 1 8.147 0.000 . 1 . . . . . 4 A H8 . 51337 3
30 . 1 . 1 4 4 DA C8 C 13 138.549 0.000 . 1 . . . . . 4 A C8 . 51337 3
31 . 1 . 1 5 5 DT H1' H 1 5.852 0.002 . 1 . . . . . 5 T H1' . 51337 3
32 . 1 . 1 5 5 DT H2' H 1 1.960 0.000 . 1 . . . . . 5 T H2' . 51337 3
33 . 1 . 1 5 5 DT H2'' H 1 2.493 0.000 . 1 . . . . . 5 T H2'' . 51337 3
34 . 1 . 1 5 5 DT H3 H 1 13.372 0.000 . 1 . . . . . 5 T H3 . 51337 3
35 . 1 . 1 5 5 DT H3' H 1 4.828 0.001 . 1 . . . . . 5 T H3' . 51337 3
36 . 1 . 1 5 5 DT H6 H 1 6.909 0.000 . 1 . . . . . 5 T H6 . 51337 3
37 . 1 . 1 5 5 DT H71 H 1 1.291 0.000 . 1 . . . . . 5 T H71 . 51337 3
38 . 1 . 1 5 5 DT H72 H 1 1.291 0.000 . 1 . . . . . 5 T H72 . 51337 3
39 . 1 . 1 5 5 DT H73 H 1 1.291 0.000 . 1 . . . . . 5 T H73 . 51337 3
40 . 1 . 1 5 5 DT C6 C 13 135.251 0.000 . 1 . . . . . 5 T C6 . 51337 3
41 . 1 . 1 5 5 DT N3 N 15 158.863 0.000 . 1 . . . . . 5 T N3 . 51337 3
42 . 1 . 1 6 6 1CC H1' H 1 5.586 0.003 . 1 . . . . . 6 caC H1' . 51337 3
43 . 1 . 1 6 6 1CC H2' H 1 2.022 0.002 . 1 . . . . . 6 caC H2' . 51337 3
44 . 1 . 1 6 6 1CC H2'' H 1 2.394 0.001 . 1 . . . . . 6 caC H2'' . 51337 3
45 . 1 . 1 6 6 1CC H3' H 1 4.803 0.000 . 1 . . . . . 6 caC H3' . 51337 3
46 . 1 . 1 6 6 1CC H6 H 1 8.040 0.003 . 1 . . . . . 6 caC H6 . 51337 3
47 . 1 . 1 6 6 1CC H41 H 1 8.894 0.000 . 1 . . . . . 6 caC H41 . 51337 3
48 . 1 . 1 6 6 1CC H42 H 1 8.272 0.001 . 1 . . . . . 6 caC H42 . 51337 3
49 . 1 . 1 6 6 1CC C6 C 13 145.920 0.000 . 1 . . . . . 6 caC C6 . 51337 3
50 . 1 . 1 7 7 DG H1 H 1 12.317 0.003 . 1 . . . . . 7 G H1 . 51337 3
51 . 1 . 1 7 7 DG H1' H 1 5.706 0.001 . 1 . . . . . 7 G H1' . 51337 3
52 . 1 . 1 7 7 DG H2' H 1 2.679 0.002 . 1 . . . . . 7 G H2' . 51337 3
53 . 1 . 1 7 7 DG H2'' H 1 2.798 0.000 . 1 . . . . . 7 G H2'' . 51337 3
54 . 1 . 1 7 7 DG H3' H 1 4.981 0.001 . 1 . . . . . 7 G H3' . 51337 3
55 . 1 . 1 7 7 DG H8 H 1 7.867 0.001 . 1 . . . . . 7 G H8 . 51337 3
56 . 1 . 1 7 7 DG C8 C 13 135.814 0.000 . 1 . . . . . 7 G C8 . 51337 3
57 . 1 . 1 7 7 DG N1 N 15 146.438 0.000 . 1 . . . . . 7 G N1 . 51337 3
58 . 1 . 1 8 8 DA H1' H 1 6.183 0.001 . 1 . . . . . 8 A H1' . 51337 3
59 . 1 . 1 8 8 DA H2 H 1 7.730 0.000 . 1 . . . . . 8 A H2 . 51337 3
60 . 1 . 1 8 8 DA H2' H 1 2.530 0.001 . 1 . . . . . 8 A H2' . 51337 3
61 . 1 . 1 8 8 DA H2'' H 1 2.872 0.000 . 1 . . . . . 8 A H2'' . 51337 3
62 . 1 . 1 8 8 DA H3' H 1 4.944 0.001 . 1 . . . . . 8 A H3' . 51337 3
63 . 1 . 1 8 8 DA H8 H 1 8.032 0.001 . 1 . . . . . 8 A H8 . 51337 3
64 . 1 . 1 8 8 DA C8 C 13 138.199 0.000 . 1 . . . . . 8 A C8 . 51337 3
65 . 1 . 1 9 9 DT H1' H 1 5.900 0.001 . 1 . . . . . 9 T H1' . 51337 3
66 . 1 . 1 9 9 DT H2' H 1 2.022 0.000 . 1 . . . . . 9 T H2' . 51337 3
67 . 1 . 1 9 9 DT H2'' H 1 2.423 0.001 . 1 . . . . . 9 T H2'' . 51337 3
68 . 1 . 1 9 9 DT H3 H 1 13.500 0.003 . 1 . . . . . 9 T H3 . 51337 3
69 . 1 . 1 9 9 DT H3' H 1 4.830 0.000 . 1 . . . . . 9 T H3' . 51337 3
70 . 1 . 1 9 9 DT H6 H 1 7.142 0.000 . 1 . . . . . 9 T H6 . 51337 3
71 . 1 . 1 9 9 DT H71 H 1 1.290 0.000 . 1 . . . . . 9 T H71 . 51337 3
72 . 1 . 1 9 9 DT H72 H 1 1.290 0.000 . 1 . . . . . 9 T H72 . 51337 3
73 . 1 . 1 9 9 DT H73 H 1 1.290 0.000 . 1 . . . . . 9 T H73 . 51337 3
74 . 1 . 1 9 9 DT C6 C 13 135.819 0.000 . 1 . . . . . 9 T C6 . 51337 3
75 . 1 . 1 9 9 DT N3 N 15 158.910 0.000 . 1 . . . . . 9 T N3 . 51337 3
76 . 1 . 1 10 10 DC H1' H 1 5.686 0.001 . 1 . . . . . 10 C H1' . 51337 3
77 . 1 . 1 10 10 DC H2' H 1 2.013 0.000 . 1 . . . . . 10 C H2' . 51337 3
78 . 1 . 1 10 10 DC H2'' H 1 2.378 0.001 . 1 . . . . . 10 C H2'' . 51337 3
79 . 1 . 1 10 10 DC H3' H 1 4.827 0.002 . 1 . . . . . 10 C H3' . 51337 3
80 . 1 . 1 10 10 DC H5 H 1 5.591 0.001 . 1 . . . . . 10 C H5 . 51337 3
81 . 1 . 1 10 10 DC H6 H 1 7.425 0.000 . 1 . . . . . 10 C H6 . 51337 3
82 . 1 . 1 10 10 DC H41 H 1 8.383 0.001 . 1 . . . . . 10 C H41 . 51337 3
83 . 1 . 1 10 10 DC H42 H 1 6.728 0.002 . 1 . . . . . 10 C H42 . 51337 3
84 . 1 . 1 10 10 DC C6 C 13 140.920 0.000 . 1 . . . . . 10 C C6 . 51337 3
85 . 1 . 1 11 11 DG H1 H 1 12.971 0.000 . 1 . . . . . 11 G H1 . 51337 3
86 . 1 . 1 11 11 DG H1' H 1 5.962 0.004 . 1 . . . . . 11 G H1' . 51337 3
87 . 1 . 1 11 11 DG H2' H 1 2.623 0.000 . 1 . . . . . 11 G H2' . 51337 3
88 . 1 . 1 11 11 DG H2'' H 1 2.710 0.002 . 1 . . . . . 11 G H2'' . 51337 3
89 . 1 . 1 11 11 DG H3' H 1 4.970 0.000 . 1 . . . . . 11 G H3' . 51337 3
90 . 1 . 1 11 11 DG H8 H 1 7.905 0.000 . 1 . . . . . 11 G H8 . 51337 3
91 . 1 . 1 11 11 DG C8 C 13 135.751 0.000 . 1 . . . . . 11 G C8 . 51337 3
92 . 1 . 1 11 11 DG N1 N 15 147.437 0.000 . 1 . . . . . 11 G N1 . 51337 3
93 . 1 . 1 12 12 DC H1' H 1 6.193 0.000 . 1 . . . . . 12 C H1' . 51337 3
94 . 1 . 1 12 12 DC H2' H 1 2.173 0.002 . 1 . . . . . 12 C H2' . 51337 3
95 . 1 . 1 12 12 DC H2'' H 1 2.213 0.001 . 1 . . . . . 12 C H2'' . 51337 3
96 . 1 . 1 12 12 DC H3' H 1 4.492 0.000 . 1 . . . . . 12 C H3' . 51337 3
97 . 1 . 1 12 12 DC H5 H 1 5.569 0.001 . 1 . . . . . 12 C H5 . 51337 3
98 . 1 . 1 12 12 DC H6 H 1 7.507 0.000 . 1 . . . . . 12 C H6 . 51337 3
99 . 1 . 1 12 12 DC C6 C 13 140.953 0.000 . 1 . . . . . 12 C C6 . 51337 3
stop_
save_