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 30053
_Assigned_chem_shift_list.ID 2
_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 NOESY' . . . 30053 2
2 '2D 1H-1H TOCSY' . . . 30053 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
2 $software_2 . . 30053 2
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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_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.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 . 2 2 1 1 DT H1' H 1 6.093 . . . . . . B 11 DT H1' . 30053 2
2 . 2 2 1 1 DT H2' H 1 2.123 . . . . . . B 11 DT H2' . 30053 2
3 . 2 2 1 1 DT H2'' H 1 2.495 . . . . . . B 11 DT H2'' . 30053 2
4 . 2 2 1 1 DT H3' H 1 4.721 . . . . . . B 11 DT H3' . 30053 2
5 . 2 2 1 1 DT H4' H 1 4.135 . . . . . . B 11 DT H4' . 30053 2
6 . 2 2 1 1 DT H5'' H 1 3.724 . . . . . . B 11 DT H5'' . 30053 2
7 . 2 2 1 1 DT H6 H 1 7.519 . . . . . . B 11 DT H6 . 30053 2
8 . 2 2 2 2 DC H1' H 1 5.609 . . . . . . B 12 DC H1' . 30053 2
9 . 2 2 2 2 DC H2' H 1 2.147 . . . . . . B 12 DC H2' . 30053 2
10 . 2 2 2 2 DC H2'' H 1 2.419 . . . . . . B 12 DC H2'' . 30053 2
11 . 2 2 2 2 DC H3' H 1 4.868 . . . . . . B 12 DC H3' . 30053 2
12 . 2 2 2 2 DC H4' H 1 4.164 . . . . . . B 12 DC H4' . 30053 2
13 . 2 2 2 2 DC H5 H 1 5.838 . . . . . . B 12 DC H5 . 30053 2
14 . 2 2 2 2 DC H6 H 1 7.575 . . . . . . B 12 DC H6 . 30053 2
15 . 2 2 2 2 DC H41 H 1 7.033 . . . . . . B 12 DC H41 . 30053 2
16 . 2 2 2 2 DC H42 H 1 7.837 . . . . . . B 12 DC H42 . 30053 2
17 . 2 2 2 2 DC P P 31 3.602 . . . . . . B 12 DC P . 30053 2
18 . 2 2 3 3 DG H1' H 1 5.606 . . . . . . B 13 DG H1' . 30053 2
19 . 2 2 3 3 DG H2' H 1 2.735 . . . . . . B 13 DG H2' . 30053 2
20 . 2 2 3 3 DG H2'' H 1 2.772 . . . . . . B 13 DG H2'' . 30053 2
21 . 2 2 3 3 DG H3' H 1 5.004 . . . . . . B 13 DG H3' . 30053 2
22 . 2 2 3 3 DG H4' H 1 4.365 . . . . . . B 13 DG H4' . 30053 2
23 . 2 2 3 3 DG H5' H 1 4.07 . . . . . . B 13 DG H5' . 30053 2
24 . 2 2 3 3 DG H5'' H 1 4.043 . . . . . . B 13 DG H5'' . 30053 2
25 . 2 2 3 3 DG H8 H 1 7.91 . . . . . . B 13 DG H8 . 30053 2
26 . 2 2 3 3 DG P P 31 3.992 . . . . . . B 13 DG P . 30053 2
27 . 2 2 4 4 DG H1' H 1 5.92 . . . . . . B 14 DG H1' . 30053 2
28 . 2 2 4 4 DG H2' H 1 2.578 . . . . . . B 14 DG H2' . 30053 2
29 . 2 2 4 4 DG H2'' H 1 2.726 . . . . . . B 14 DG H2'' . 30053 2
30 . 2 2 4 4 DG H3' H 1 5.013 . . . . . . B 14 DG H3' . 30053 2
31 . 2 2 4 4 DG H4' H 1 4.424 . . . . . . B 14 DG H4' . 30053 2
32 . 2 2 4 4 DG H5' H 1 4.167 . . . . . . B 14 DG H5' . 30053 2
33 . 2 2 4 4 DG H5'' H 1 4.193 . . . . . . B 14 DG H5'' . 30053 2
34 . 2 2 4 4 DG H8 H 1 7.793 . . . . . . B 14 DG H8 . 30053 2
35 . 2 2 4 4 DG P P 31 3.681 . . . . . . B 14 DG P . 30053 2
36 . 2 2 5 5 DC H1' H 1 5.677 . . . . . . B 15 DC H1' . 30053 2
37 . 2 2 5 5 DC H2' H 1 1.868 . . . . . . B 15 DC H2' . 30053 2
38 . 2 2 5 5 DC H2'' H 1 2.326 . . . . . . B 15 DC H2'' . 30053 2
39 . 2 2 5 5 DC H3' H 1 4.852 . . . . . . B 15 DC H3' . 30053 2
40 . 2 2 5 5 DC H4' H 1 4.121 . . . . . . B 15 DC H4' . 30053 2
41 . 2 2 5 5 DC H5 H 1 5.289 . . . . . . B 15 DC H5 . 30053 2
42 . 2 2 5 5 DC H6 H 1 7.231 . . . . . . B 15 DC H6 . 30053 2
43 . 2 2 5 5 DC H41 H 1 6.341 . . . . . . B 15 DC H41 . 30053 2
44 . 2 2 5 5 DC H42 H 1 8.342 . . . . . . B 15 DC H42 . 30053 2
45 . 2 2 5 5 DC P P 31 3.55 . . . . . . B 15 DC P . 30053 2
46 . 2 2 6 6 DG H1' H 1 5.634 . . . . . . B 16 DG H1' . 30053 2
47 . 2 2 6 6 DG H2' H 1 2.706 . . . . . . B 16 DG H2' . 30053 2
48 . 2 2 6 6 DG H2'' H 1 2.76 . . . . . . B 16 DG H2'' . 30053 2
49 . 2 2 6 6 DG H3' H 1 5.026 . . . . . . B 16 DG H3' . 30053 2
50 . 2 2 6 6 DG H4' H 1 4.409 . . . . . . B 16 DG H4' . 30053 2
51 . 2 2 6 6 DG P P 31 3.796 . . . . . . B 16 DG P . 30053 2
52 . 2 2 7 7 DG H1' H 1 5.908 . . . . . . B 17 DG H1' . 30053 2
53 . 2 2 7 7 DG H2' H 1 2.579 . . . . . . B 17 DG H2' . 30053 2
54 . 2 2 7 7 DG H2'' H 1 2.721 . . . . . . B 17 DG H2'' . 30053 2
55 . 2 2 7 7 DG H3' H 1 4.97 . . . . . . B 17 DG H3' . 30053 2
56 . 2 2 7 7 DG H4' H 1 4.433 . . . . . . B 17 DG H4' . 30053 2
57 . 2 2 7 7 DG H5' H 1 4.069 . . . . . . B 17 DG H5' . 30053 2
58 . 2 2 7 7 DG H5'' H 1 4.047 . . . . . . B 17 DG H5'' . 30053 2
59 . 2 2 7 7 DG H8 H 1 7.754 . . . . . . B 17 DG H8 . 30053 2
60 . 2 2 7 7 DG P P 31 3.812 . . . . . . B 17 DG P . 30053 2
61 . 2 2 8 8 DC H1' H 1 5.959 . . . . . . B 18 DC H1' . 30053 2
62 . 2 2 8 8 DC H2' H 1 2.036 . . . . . . B 18 DC H2' . 30053 2
63 . 2 2 8 8 DC H2'' H 1 2.427 . . . . . . B 18 DC H2'' . 30053 2
64 . 2 2 8 8 DC H3' H 1 4.837 . . . . . . B 18 DC H3' . 30053 2
65 . 2 2 8 8 DC H4' H 1 4.195 . . . . . . B 18 DC H4' . 30053 2
66 . 2 2 8 8 DC H5 H 1 5.331 . . . . . . B 18 DC H5 . 30053 2
67 . 2 2 8 8 DC H6 H 1 7.367 . . . . . . B 18 DC H6 . 30053 2
68 . 2 2 8 8 DC H42 H 1 8.269 . . . . . . B 18 DC H42 . 30053 2
69 . 2 2 9 9 DC H1' H 1 5.672 . . . . . . B 19 DC H1' . 30053 2
70 . 2 2 9 9 DC H2' H 1 1.99 . . . . . . B 19 DC H2' . 30053 2
71 . 2 2 9 9 DC H2'' H 1 2.334 . . . . . . B 19 DC H2'' . 30053 2
72 . 2 2 9 9 DC H3' H 1 4.841 . . . . . . B 19 DC H3' . 30053 2
73 . 2 2 9 9 DC H4' H 1 4.1 . . . . . . B 19 DC H4' . 30053 2
74 . 2 2 9 9 DC H5 H 1 5.665 . . . . . . B 19 DC H5 . 30053 2
75 . 2 2 9 9 DC H6 H 1 7.469 . . . . . . B 19 DC H6 . 30053 2
76 . 2 2 9 9 DC H41 H 1 6.982 . . . . . . B 19 DC H41 . 30053 2
77 . 2 2 9 9 DC H42 H 1 8.704 . . . . . . B 19 DC H42 . 30053 2
78 . 2 2 10 10 DG H1' H 1 6.205 . . . . . . B 20 DG H1' . 30053 2
79 . 2 2 10 10 DG H2' H 1 2.518 . . . . . . B 20 DG H2' . 30053 2
80 . 2 2 10 10 DG H2'' H 1 2.387 . . . . . . B 20 DG H2'' . 30053 2
81 . 2 2 10 10 DG H3' H 1 4.71 . . . . . . B 20 DG H3' . 30053 2
82 . 2 2 10 10 DG H4' H 1 4.201 . . . . . . B 20 DG H4' . 30053 2
83 . 2 2 10 10 DG H5'' H 1 4.121 . . . . . . B 20 DG H5'' . 30053 2
84 . 2 2 10 10 DG H8 H 1 7.976 . . . . . . B 20 DG H8 . 30053 2
85 . 2 2 10 10 DG P P 31 3.968 . . . . . . B 20 DG P . 30053 2
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