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 52125
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Z-form chemical shifts for 8mG4 d(CpG)3'
_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' . . . 52125 2
2 '2D 1H-13C HSQC' . . . 52125 2
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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
1 $software_1 . . 52125 2
2 $software_2 . . 52125 2
3 $software_3 . . 52125 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 DC H1' H 1 5.806 0 . 1 . . . . . 1 C H1' . 52125 2
2 . 1 . 1 1 1 DC H2' H 1 1.643 0.001 . 1 . . . . . 1 C H2' . 52125 2
3 . 1 . 1 1 1 DC H2'' H 1 2.416 0.001 . 1 . . . . . 1 C H2'' . 52125 2
4 . 1 . 1 1 1 DC H3' H 1 4.576 0 . 1 . . . . . 1 C H3' . 52125 2
5 . 1 . 1 1 1 DC H4' H 1 3.66 0.001 . 1 . . . . . 1 C H4' . 52125 2
6 . 1 . 1 1 1 DC H5 H 1 5.806 0.002 . 1 . . . . . 1 C H5 . 52125 2
7 . 1 . 1 1 1 DC H5' H 1 3.118 0.001 . 1 . . . . . 1 C H5' . 52125 2
8 . 1 . 1 1 1 DC H5'' H 1 2.602 0.004 . 1 . . . . . 1 C H5'' . 52125 2
9 . 1 . 1 1 1 DC H6 H 1 7.468 0.002 . 1 . . . . . 1 C H6 . 52125 2
10 . 1 . 1 1 1 DC C1' C 13 89.586 0 . 1 . . . . . 1 C C1' . 52125 2
11 . 1 . 1 1 1 DC C2' C 13 43.029 0.002 . 1 . . . . . 1 C C2' . 52125 2
12 . 1 . 1 1 1 DC C3' C 13 80.554 0 . 1 . . . . . 1 C C3' . 52125 2
13 . 1 . 1 1 1 DC C4' C 13 87.436 0 . 1 . . . . . 1 C C4' . 52125 2
14 . 1 . 1 1 1 DC C5 C 13 99.141 0 . 1 . . . . . 1 C C5 . 52125 2
15 . 1 . 1 1 1 DC C5' C 13 63.533 0.003 . 1 . . . . . 1 C C5' . 52125 2
16 . 1 . 1 1 1 DC C6 C 13 142.481 0 . 1 . . . . . 1 C C6 . 52125 2
17 . 1 . 1 2 2 DG H1' H 1 6.203 0.001 . 1 . . . . . 2 G H1' . 52125 2
18 . 1 . 1 2 2 DG H2' H 1 2.709 0 . 1 . . . . . 2 G H2' . 52125 2
19 . 1 . 1 2 2 DG H2'' H 1 2.781 0 . 1 . . . . . 2 G H2'' . 52125 2
20 . 1 . 1 2 2 DG H3' H 1 5.013 0.002 . 1 . . . . . 2 G H3' . 52125 2
21 . 1 . 1 2 2 DG H4' H 1 4.18 0 . 1 . . . . . 2 G H4' . 52125 2
22 . 1 . 1 2 2 DG H5' H 1 4.185 0.002 . 1 . . . . . 2 G H5' . 52125 2
23 . 1 . 1 2 2 DG H5'' H 1 4.122 0.01 . 1 . . . . . 2 G H5'' . 52125 2
24 . 1 . 1 2 2 DG H8 H 1 7.755 0.001 . 1 . . . . . 2 G H8 . 52125 2
25 . 1 . 1 2 2 DG C1' C 13 87.484 0 . 1 . . . . . 2 G C1' . 52125 2
26 . 1 . 1 2 2 DG C2' C 13 40.283 0.003 . 1 . . . . . 2 G C2' . 52125 2
27 . 1 . 1 2 2 DG C3' C 13 76.866 0 . 1 . . . . . 2 G C3' . 52125 2
28 . 1 . 1 2 2 DG C4' C 13 87.003 0 . 1 . . . . . 2 G C4' . 52125 2
29 . 1 . 1 2 2 DG C5' C 13 68.598 0 . 1 . . . . . 2 G C5' . 52125 2
30 . 1 . 1 2 2 DG C8 C 13 141.449 0 . 1 . . . . . 2 G C8 . 52125 2
31 . 1 . 1 3 3 DC H1' H 1 5.71 0.002 . 1 . . . . . 3 C H1' . 52125 2
32 . 1 . 1 3 3 DC H2' H 1 1.707 0 . 1 . . . . . 3 C H2' . 52125 2
33 . 1 . 1 3 3 DC H2'' H 1 2.616 0 . 1 . . . . . 3 C H2'' . 52125 2
34 . 1 . 1 3 3 DC H4' H 1 3.82 0.001 . 1 . . . . . 3 C H4' . 52125 2
35 . 1 . 1 3 3 DC H5 H 1 5.087 0.002 . 1 . . . . . 3 C H5 . 52125 2
36 . 1 . 1 3 3 DC H5' H 1 2.584 0 . 1 . . . . . 3 C H5' . 52125 2
37 . 1 . 1 3 3 DC H5'' H 1 2.489 0 . 1 . . . . . 3 C H5'' . 52125 2
38 . 1 . 1 3 3 DC H6 H 1 7.359 0.001 . 1 . . . . . 3 C H6 . 52125 2
39 . 1 . 1 3 3 DC C1' C 13 89.348 0 . 1 . . . . . 3 C C1' . 52125 2
40 . 1 . 1 3 3 DC C2' C 13 44.189 0.001 . 1 . . . . . 3 C C2' . 52125 2
41 . 1 . 1 3 3 DC C4' C 13 86.32 0 . 1 . . . . . 3 C C4' . 52125 2
42 . 1 . 1 3 3 DC C5 C 13 98.248 0 . 1 . . . . . 3 C C5 . 52125 2
43 . 1 . 1 3 3 DC C5' C 13 60.521 0.006 . 1 . . . . . 3 C C5' . 52125 2
44 . 1 . 1 3 3 DC C6 C 13 142.198 0 . 1 . . . . . 3 C C6 . 52125 2
45 . 1 . 1 4 4 8MG H1' H 1 6.256 0.003 . 1 . . . . . 4 X H1' . 52125 2
46 . 1 . 1 4 4 8MG H2' H 1 2.723 0.001 . 1 . . . . . 4 X H2' . 52125 2
47 . 1 . 1 4 4 8MG H2'' H 1 2.844 0.001 . 1 . . . . . 4 X H2'' . 52125 2
48 . 1 . 1 4 4 8MG H3' H 1 4.966 0 . 1 . . . . . 4 X H3' . 52125 2
49 . 1 . 1 4 4 8MG H4' H 1 4.192 0.001 . 1 . . . . . 4 X H4' . 52125 2
50 . 1 . 1 4 4 8MG H5' H 1 3.821 0.001 . 1 . . . . . 4 X H5' . 52125 2
51 . 1 . 1 4 4 8MG H5'' H 1 3.782 0.002 . 1 . . . . . 4 X H5'' . 52125 2
52 . 1 . 1 4 4 8MG C1' C 13 88.589 0 . 1 . . . . . 4 X C1' . 52125 2
53 . 1 . 1 4 4 8MG C2' C 13 40.158 0.005 . 1 . . . . . 4 X C2' . 52125 2
54 . 1 . 1 4 4 8MG C3' C 13 77.037 0 . 1 . . . . . 4 X C3' . 52125 2
55 . 1 . 1 4 4 8MG C4' C 13 88.812 0 . 1 . . . . . 4 X C4' . 52125 2
56 . 1 . 1 4 4 8MG C5' C 13 67.298 0.007 . 1 . . . . . 4 X C5' . 52125 2
57 . 1 . 1 4 4 8MG C9 C 13 15.491 0.016 . 1 . . . . . 4 X C9 . 52125 2
58 . 1 . 1 4 4 8MG H9 H 1 2.537 0.001 . 1 . . . . . 4 X M9 . 52125 2
59 . 1 . 1 5 5 DC H1' H 1 5.904 0.003 . 1 . . . . . 5 C H1' . 52125 2
60 . 1 . 1 5 5 DC H2' H 1 1.755 0 . 1 . . . . . 5 C H2' . 52125 2
61 . 1 . 1 5 5 DC H2'' H 1 2.652 0.001 . 1 . . . . . 5 C H2'' . 52125 2
62 . 1 . 1 5 5 DC H4' H 1 3.929 0.001 . 1 . . . . . 5 C H4' . 52125 2
63 . 1 . 1 5 5 DC H5 H 1 5.239 0.001 . 1 . . . . . 5 C H5 . 52125 2
64 . 1 . 1 5 5 DC H5' H 1 2.763 0.001 . 1 . . . . . 5 C H5' . 52125 2
65 . 1 . 1 5 5 DC H5'' H 1 2.644 0.001 . 1 . . . . . 5 C H5'' . 52125 2
66 . 1 . 1 5 5 DC H6 H 1 7.464 0.001 . 1 . . . . . 5 C H6 . 52125 2
67 . 1 . 1 5 5 DC C1' C 13 89.315 0 . 1 . . . . . 5 C C1' . 52125 2
68 . 1 . 1 5 5 DC C2' C 13 44.152 0 . 1 . . . . . 5 C C2' . 52125 2
69 . 1 . 1 5 5 DC C4' C 13 86.533 0 . 1 . . . . . 5 C C4' . 52125 2
70 . 1 . 1 5 5 DC C5 C 13 98.376 0 . 1 . . . . . 5 C C5 . 52125 2
71 . 1 . 1 5 5 DC C5' C 13 67.286 0.002 . 1 . . . . . 5 C C5' . 52125 2
72 . 1 . 1 5 5 DC C6 C 13 142.451 0 . 1 . . . . . 5 C C6 . 52125 2
73 . 1 . 1 6 6 DG H1' H 1 6.255 0.002 . 1 . . . . . 6 G H1' . 52125 2
74 . 1 . 1 6 6 DG H2' H 1 2.435 0.001 . 1 . . . . . 6 G H2' . 52125 2
75 . 1 . 1 6 6 DG H2'' H 1 3.195 0.002 . 1 . . . . . 6 G H2'' . 52125 2
76 . 1 . 1 6 6 DG H3' H 1 4.957 0.003 . 1 . . . . . 6 G H3' . 52125 2
77 . 1 . 1 6 6 DG H4' H 1 4.192 0 . 1 . . . . . 6 G H4' . 52125 2
78 . 1 . 1 6 6 DG H5' H 1 4.184 0.002 . 1 . . . . . 6 G H5' . 52125 2
79 . 1 . 1 6 6 DG H5'' H 1 4.109 0.001 . 1 . . . . . 6 G H5'' . 52125 2
80 . 1 . 1 6 6 DG H8 H 1 7.818 0.001 . 1 . . . . . 6 G H8 . 52125 2
81 . 1 . 1 6 6 DG C1' C 13 86.03 0 . 1 . . . . . 6 G C1' . 52125 2
82 . 1 . 1 6 6 DG C2' C 13 39.792 0.01 . 1 . . . . . 6 G C2' . 52125 2
83 . 1 . 1 6 6 DG C3' C 13 77.054 0 . 1 . . . . . 6 G C3' . 52125 2
84 . 1 . 1 6 6 DG C4' C 13 86.936 0 . 1 . . . . . 6 G C4' . 52125 2
85 . 1 . 1 6 6 DG C5' C 13 68.804 0.636 . 1 . . . . . 6 G C5' . 52125 2
86 . 1 . 1 6 6 DG C8 C 13 142.506 0 . 1 . . . . . 6 G C8 . 52125 2
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save_