Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51337
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name '5caC-containing 12mer dsDNA pH 5.8'
_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
4 '2D 1H-13C HSQC' . . . 51337 2
5 '2D 1H-15N HSQC' . . . 51337 2
6 '2D 1H-1H NOESY' . . . 51337 2
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 2
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 2
2 . 1 . 1 1 1 DG H2' H 1 2.563 0.001 . 1 . . . . . 1 G H2' . 51337 2
3 . 1 . 1 1 1 DG H2'' H 1 2.745 0.002 . 1 . . . . . 1 G H2'' . 51337 2
4 . 1 . 1 1 1 DG H3' H 1 4.832 0.003 . 1 . . . . . 1 G H3' . 51337 2
5 . 1 . 1 1 1 DG H5' H 1 3.700 0.000 . 1 . . . . . 1 G H5' . 51337 2
6 . 1 . 1 1 1 DG H8 H 1 7.928 0.000 . 1 . . . . . 1 G H8 . 51337 2
7 . 1 . 1 1 1 DG C8 C 13 136.266 0.000 . 1 . . . . . 1 G C8 . 51337 2
8 . 1 . 1 2 2 DC H1' H 1 5.664 0.003 . 1 . . . . . 2 C H1' . 51337 2
9 . 1 . 1 2 2 DC H2' H 1 2.029 0.001 . 1 . . . . . 2 C H2' . 51337 2
10 . 1 . 1 2 2 DC H2'' H 1 2.390 0.001 . 1 . . . . . 2 C H2'' . 51337 2
11 . 1 . 1 2 2 DC H3' H 1 4.845 0.000 . 1 . . . . . 2 C H3' . 51337 2
12 . 1 . 1 2 2 DC H5 H 1 5.393 0.000 . 1 . . . . . 2 C H5 . 51337 2
13 . 1 . 1 2 2 DC H6 H 1 7.368 0.001 . 1 . . . . . 2 C H6 . 51337 2
14 . 1 . 1 2 2 DC H41 H 1 8.420 0.001 . 1 . . . . . 2 C H41 . 51337 2
15 . 1 . 1 2 2 DC H42 H 1 6.464 0.001 . 1 . . . . . 2 C H42 . 51337 2
16 . 1 . 1 2 2 DC C6 C 13 140.221 0.000 . 1 . . . . . 2 C C6 . 51337 2
17 . 1 . 1 3 3 DG H1 H 1 12.712 0.003 . 1 . . . . . 3 G H1 . 51337 2
18 . 1 . 1 3 3 DG H1' H 1 5.646 0.002 . 1 . . . . . 3 G H1' . 51337 2
19 . 1 . 1 3 3 DG H2' H 1 2.696 0.001 . 1 . . . . . 3 G H2' . 51337 2
20 . 1 . 1 3 3 DG H2'' H 1 2.808 0.001 . 1 . . . . . 3 G H2'' . 51337 2
21 . 1 . 1 3 3 DG H3' H 1 5.010 0.000 . 1 . . . . . 3 G H3' . 51337 2
22 . 1 . 1 3 3 DG H8 H 1 7.876 0.006 . 1 . . . . . 3 G H8 . 51337 2
23 . 1 . 1 3 3 DG C8 C 13 135.640 0.000 . 1 . . . . . 3 G C8 . 51337 2
24 . 1 . 1 3 3 DG N1 N 15 147.226 0.000 . 1 . . . . . 3 G N1 . 51337 2
25 . 1 . 1 4 4 DA H1' H 1 6.228 0.000 . 1 . . . . . 4 A H1' . 51337 2
26 . 1 . 1 4 4 DA H2 H 1 7.774 0.000 . 1 . . . . . 4 A H2 . 51337 2
27 . 1 . 1 4 4 DA H2' H 1 2.580 0.000 . 1 . . . . . 4 A H2' . 51337 2
28 . 1 . 1 4 4 DA H2'' H 1 2.922 0.001 . 1 . . . . . 4 A H2'' . 51337 2
29 . 1 . 1 4 4 DA H3' H 1 4.996 0.001 . 1 . . . . . 4 A H3' . 51337 2
30 . 1 . 1 4 4 DA H8 H 1 8.152 0.001 . 1 . . . . . 4 A H8 . 51337 2
31 . 1 . 1 4 4 DA C8 C 13 138.595 0.000 . 1 . . . . . 4 A C8 . 51337 2
32 . 1 . 1 5 5 DT H1' H 1 5.849 0.001 . 1 . . . . . 5 T H1' . 51337 2
33 . 1 . 1 5 5 DT H2' H 1 1.941 0.001 . 1 . . . . . 5 T H2' . 51337 2
34 . 1 . 1 5 5 DT H2'' H 1 2.476 0.001 . 1 . . . . . 5 T H2'' . 51337 2
35 . 1 . 1 5 5 DT H3 H 1 13.364 0.002 . 1 . . . . . 5 T H3 . 51337 2
36 . 1 . 1 5 5 DT H3' H 1 4.831 0.001 . 1 . . . . . 5 T H3' . 51337 2
37 . 1 . 1 5 5 DT H6 H 1 6.881 0.001 . 1 . . . . . 5 T H6 . 51337 2
38 . 1 . 1 5 5 DT H71 H 1 1.291 0.000 . 1 . . . . . 5 T H71 . 51337 2
39 . 1 . 1 5 5 DT H72 H 1 1.291 0.000 . 1 . . . . . 5 T H72 . 51337 2
40 . 1 . 1 5 5 DT H73 H 1 1.291 0.000 . 1 . . . . . 5 T H73 . 51337 2
41 . 1 . 1 5 5 DT C6 C 13 135.282 0.000 . 1 . . . . . 5 T C6 . 51337 2
42 . 1 . 1 5 5 DT N3 N 15 158.821 0.000 . 1 . . . . . 5 T N3 . 51337 2
43 . 1 . 1 6 6 1CC H1' H 1 5.559 0.001 . 1 . . . . . 6 caC H1' . 51337 2
44 . 1 . 1 6 6 1CC H2' H 1 2.025 0.000 . 1 . . . . . 6 caC H2' . 51337 2
45 . 1 . 1 6 6 1CC H2'' H 1 2.380 0.001 . 1 . . . . . 6 caC H2'' . 51337 2
46 . 1 . 1 6 6 1CC H3' H 1 4.808 0.001 . 1 . . . . . 6 caC H3' . 51337 2
47 . 1 . 1 6 6 1CC H6 H 1 7.990 0.002 . 1 . . . . . 6 caC H6 . 51337 2
48 . 1 . 1 6 6 1CC H41 H 1 8.835 0.000 . 1 . . . . . 6 caC H41 . 51337 2
49 . 1 . 1 6 6 1CC H42 H 1 8.436 0.001 . 1 . . . . . 6 caC H42 . 51337 2
50 . 1 . 1 7 7 DG H1 H 1 12.381 0.003 . 1 . . . . . 7 G H1 . 51337 2
51 . 1 . 1 7 7 DG H1' H 1 5.672 0.001 . 1 . . . . . 7 G H1' . 51337 2
52 . 1 . 1 7 7 DG H2' H 1 2.676 0.002 . 1 . . . . . 7 G H2' . 51337 2
53 . 1 . 1 7 7 DG H2'' H 1 2.787 0.000 . 1 . . . . . 7 G H2'' . 51337 2
54 . 1 . 1 7 7 DG H3' H 1 4.982 0.000 . 1 . . . . . 7 G H3' . 51337 2
55 . 1 . 1 7 7 DG H8 H 1 7.859 0.005 . 1 . . . . . 7 G H8 . 51337 2
56 . 1 . 1 7 7 DG C8 C 13 135.768 0.000 . 1 . . . . . 7 G C8 . 51337 2
57 . 1 . 1 7 7 DG N1 N 15 146.584 0.000 . 1 . . . . . 7 G N1 . 51337 2
58 . 1 . 1 8 8 DA H1' H 1 6.192 0.000 . 1 . . . . . 8 A H1' . 51337 2
59 . 1 . 1 8 8 DA H2 H 1 7.742 0.000 . 1 . . . . . 8 A H2 . 51337 2
60 . 1 . 1 8 8 DA H2' H 1 2.544 0.000 . 1 . . . . . 8 A H2' . 51337 2
61 . 1 . 1 8 8 DA H2'' H 1 2.878 0.001 . 1 . . . . . 8 A H2'' . 51337 2
62 . 1 . 1 8 8 DA H3' H 1 4.956 0.000 . 1 . . . . . 8 A H3' . 51337 2
63 . 1 . 1 8 8 DA H8 H 1 8.062 0.001 . 1 . . . . . 8 A H8 . 51337 2
64 . 1 . 1 8 8 DA C8 C 13 138.277 0.000 . 1 . . . . . 8 A C8 . 51337 2
65 . 1 . 1 9 9 DT H1' H 1 5.894 0.000 . 1 . . . . . 9 T H1' . 51337 2
66 . 1 . 1 9 9 DT H2' H 1 2.021 0.000 . 1 . . . . . 9 T H2' . 51337 2
67 . 1 . 1 9 9 DT H2'' H 1 2.424 0.001 . 1 . . . . . 9 T H2'' . 51337 2
68 . 1 . 1 9 9 DT H3 H 1 13.499 0.003 . 1 . . . . . 9 T H3 . 51337 2
69 . 1 . 1 9 9 DT H3' H 1 4.829 0.000 . 1 . . . . . 9 T H3' . 51337 2
70 . 1 . 1 9 9 DT H6 H 1 7.135 0.000 . 1 . . . . . 9 T H6 . 51337 2
71 . 1 . 1 9 9 DT H71 H 1 1.298 0.000 . 1 . . . . . 9 T H71 . 51337 2
72 . 1 . 1 9 9 DT H72 H 1 1.298 0.000 . 1 . . . . . 9 T H72 . 51337 2
73 . 1 . 1 9 9 DT H73 H 1 1.298 0.000 . 1 . . . . . 9 T H73 . 51337 2
74 . 1 . 1 9 9 DT C6 C 13 135.807 0.000 . 1 . . . . . 9 T C6 . 51337 2
75 . 1 . 1 9 9 DT N3 N 15 158.913 0.000 . 1 . . . . . 9 T N3 . 51337 2
76 . 1 . 1 10 10 DC H1' H 1 5.692 0.001 . 1 . . . . . 10 C H1' . 51337 2
77 . 1 . 1 10 10 DC H2' H 1 2.011 0.001 . 1 . . . . . 10 C H2' . 51337 2
78 . 1 . 1 10 10 DC H2'' H 1 2.378 0.001 . 1 . . . . . 10 C H2'' . 51337 2
79 . 1 . 1 10 10 DC H3' H 1 4.827 0.000 . 1 . . . . . 10 C H3' . 51337 2
80 . 1 . 1 10 10 DC H5 H 1 5.587 0.001 . 1 . . . . . 10 C H5 . 51337 2
81 . 1 . 1 10 10 DC H6 H 1 7.419 0.001 . 1 . . . . . 10 C H6 . 51337 2
82 . 1 . 1 10 10 DC H41 H 1 8.382 0.000 . 1 . . . . . 10 C H41 . 51337 2
83 . 1 . 1 10 10 DC H42 H 1 6.708 0.001 . 1 . . . . . 10 C H42 . 51337 2
84 . 1 . 1 10 10 DC C6 C 13 140.934 0.000 . 1 . . . . . 10 C C6 . 51337 2
85 . 1 . 1 11 11 DG H1 H 1 12.995 0.002 . 1 . . . . . 11 G H1 . 51337 2
86 . 1 . 1 11 11 DG H1' H 1 5.951 0.000 . 1 . . . . . 11 G H1' . 51337 2
87 . 1 . 1 11 11 DG H2' H 1 2.611 0.001 . 1 . . . . . 11 G H2' . 51337 2
88 . 1 . 1 11 11 DG H2'' H 1 2.718 0.001 . 1 . . . . . 11 G H2'' . 51337 2
89 . 1 . 1 11 11 DG H3' H 1 4.968 0.000 . 1 . . . . . 11 G H3' . 51337 2
90 . 1 . 1 11 11 DG H8 H 1 7.899 0.000 . 1 . . . . . 11 G H8 . 51337 2
91 . 1 . 1 11 11 DG C8 C 13 135.705 0.000 . 1 . . . . . 11 G C8 . 51337 2
92 . 1 . 1 11 11 DG N1 N 15 147.442 0.000 . 1 . . . . . 11 G N1 . 51337 2
93 . 1 . 1 12 12 DC H1' H 1 6.188 0.000 . 1 . . . . . 12 C H1' . 51337 2
94 . 1 . 1 12 12 DC H2' H 1 2.158 0.000 . 1 . . . . . 12 C H2' . 51337 2
95 . 1 . 1 12 12 DC H2'' H 1 2.194 0.000 . 1 . . . . . 12 C H2'' . 51337 2
96 . 1 . 1 12 12 DC H3' H 1 4.492 0.000 . 1 . . . . . 12 C H3' . 51337 2
97 . 1 . 1 12 12 DC H5 H 1 5.540 0.000 . 1 . . . . . 12 C H5 . 51337 2
98 . 1 . 1 12 12 DC H6 H 1 7.477 0.001 . 1 . . . . . 12 C H6 . 51337 2
99 . 1 . 1 12 12 DC C6 C 13 140.764 0.000 . 1 . . . . . 12 C C6 . 51337 2
stop_
save_