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 50278
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name Can12_assignment_37C_NMR-STAR
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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-1H NOESY' . . . 50278 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 . . 50278 2
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_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 . 2 . 2 1 1 DG H1' H 1 5.970 0.001 . 1 . . . . . 1 G H1' . 50278 2
2 . 2 . 2 1 1 DG H2' H 1 2.570 0.001 . 1 . . . . . 1 G H2' . 50278 2
3 . 2 . 2 1 1 DG H2'' H 1 2.758 0.006 . 1 . . . . . 1 G H2'' . 50278 2
4 . 2 . 2 1 1 DG H8 H 1 7.937 0.000 . 1 . . . . . 1 G H8 . 50278 2
5 . 2 . 2 2 2 DC H1' H 1 5.682 0.001 . 1 . . . . . 2 C H1' . 50278 2
6 . 2 . 2 2 2 DC H2' H 1 2.027 0.001 . 1 . . . . . 2 C H2' . 50278 2
7 . 2 . 2 2 2 DC H2'' H 1 2.394 0.001 . 1 . . . . . 2 C H2'' . 50278 2
8 . 2 . 2 2 2 DC H5 H 1 5.382 0.001 . 1 . . . . . 2 C H5 . 50278 2
9 . 2 . 2 2 2 DC H6 H 1 7.371 0.000 . 1 . . . . . 2 C H6 . 50278 2
10 . 2 . 2 2 2 DC H41 H 1 6.441 0.001 . 1 . . . . . 2 C H41 . 50278 2
11 . 2 . 2 2 2 DC H42 H 1 8.428 0.000 . 1 . . . . . 2 C H42 . 50278 2
12 . 2 . 2 3 3 DG H1 H 1 12.727 0.000 . 1 . . . . . 3 G H1 . 50278 2
13 . 2 . 2 3 3 DG H1' H 1 5.664 0.000 . 1 . . . . . 3 G H1' . 50278 2
14 . 2 . 2 3 3 DG H2' H 1 2.706 0.000 . 1 . . . . . 3 G H2' . 50278 2
15 . 2 . 2 3 3 DG H2'' H 1 2.816 0.002 . 1 . . . . . 3 G H2'' . 50278 2
16 . 2 . 2 3 3 DG H3' H 1 5.017 0.000 . 1 . . . . . 3 G H3' . 50278 2
17 . 2 . 2 3 3 DG H8 H 1 7.890 0.001 . 1 . . . . . 3 G H8 . 50278 2
18 . 2 . 2 4 4 DA H1' H 1 6.234 0.001 . 1 . . . . . 4 A H1' . 50278 2
19 . 2 . 2 4 4 DA H2 H 1 7.777 0.000 . 1 . . . . . 4 A H2 . 50278 2
20 . 2 . 2 4 4 DA H2' H 1 2.593 0.002 . 1 . . . . . 4 A H2' . 50278 2
21 . 2 . 2 4 4 DA H2'' H 1 2.926 0.005 . 1 . . . . . 4 A H2'' . 50278 2
22 . 2 . 2 4 4 DA H3' H 1 4.995 0.000 . 1 . . . . . 4 A H3' . 50278 2
23 . 2 . 2 4 4 DA H8 H 1 8.154 0.000 . 1 . . . . . 4 A H8 . 50278 2
24 . 2 . 2 5 5 DT H1' H 1 5.847 0.001 . 1 . . . . . 5 T H1' . 50278 2
25 . 2 . 2 5 5 DT H2' H 1 1.980 0.001 . 1 . . . . . 5 T H2' . 50278 2
26 . 2 . 2 5 5 DT H2'' H 1 2.407 0.004 . 1 . . . . . 5 T H2'' . 50278 2
27 . 2 . 2 5 5 DT H3 H 1 13.452 0.000 . 1 . . . . . 5 T H3 . 50278 2
28 . 2 . 2 5 5 DT H6 H 1 7.089 0.000 . 1 . . . . . 5 T H6 . 50278 2
29 . 2 . 2 5 5 DT H71 H 1 1.318 0.000 . 1 . . . . . 5 T H7 . 50278 2
30 . 2 . 2 5 5 DT H72 H 1 1.318 0.000 . 1 . . . . . 5 T H7 . 50278 2
31 . 2 . 2 5 5 DT H73 H 1 1.318 0.000 . 1 . . . . . 5 T H7 . 50278 2
32 . 2 . 2 6 6 DC H1' H 1 5.610 0.001 . 1 . . . . . 6 C H1' . 50278 2
33 . 2 . 2 6 6 DC H2' H 1 1.918 0.001 . 1 . . . . . 6 C H2' . 50278 2
34 . 2 . 2 6 6 DC H2'' H 1 2.332 0.001 . 1 . . . . . 6 C H2'' . 50278 2
35 . 2 . 2 6 6 DC H5 H 1 5.514 0.001 . 1 . . . . . 6 C H5 . 50278 2
36 . 2 . 2 6 6 DC H6 H 1 7.352 0.000 . 1 . . . . . 6 C H6 . 50278 2
37 . 2 . 2 6 6 DC H41 H 1 6.584 0.001 . 1 . . . . . 6 C H41 . 50278 2
38 . 2 . 2 6 6 DC H42 H 1 8.302 0.000 . 1 . . . . . 6 C H42 . 50278 2
39 . 2 . 2 7 7 DG H1 H 1 12.524 0.000 . 1 . . . . . 7 G H1 . 50278 2
40 . 2 . 2 7 7 DG H1' H 1 5.610 0.001 . 1 . . . . . 7 G H1' . 50278 2
41 . 2 . 2 7 7 DG H2' H 1 2.675 0.001 . 1 . . . . . 7 G H2' . 50278 2
42 . 2 . 2 7 7 DG H2'' H 1 2.780 0.002 . 1 . . . . . 7 G H2'' . 50278 2
43 . 2 . 2 7 7 DG H3' H 1 4.986 0.000 . 1 . . . . . 7 G H3' . 50278 2
44 . 2 . 2 7 7 DG H8 H 1 7.858 0.001 . 1 . . . . . 7 G H8 . 50278 2
45 . 2 . 2 8 8 DA H1' H 1 6.194 0.001 . 1 . . . . . 8 A H1' . 50278 2
46 . 2 . 2 8 8 DA H2 H 1 7.738 0.001 . 1 . . . . . 8 A H2 . 50278 2
47 . 2 . 2 8 8 DA H2' H 1 2.573 0.007 . 1 . . . . . 8 A H2' . 50278 2
48 . 2 . 2 8 8 DA H2'' H 1 2.898 0.002 . 1 . . . . . 8 A H2'' . 50278 2
49 . 2 . 2 8 8 DA H3' H 1 4.968 0.000 . 1 . . . . . 8 A H3' . 50278 2
50 . 2 . 2 8 8 DA H8 H 1 8.117 0.000 . 1 . . . . . 8 A H8 . 50278 2
51 . 2 . 2 9 9 DT H1' H 1 5.871 0.001 . 1 . . . . . 9 T H1' . 50278 2
52 . 2 . 2 9 9 DT H2' H 1 2.011 0.002 . 1 . . . . . 9 T H2' . 50278 2
53 . 2 . 2 9 9 DT H2'' H 1 2.431 0.005 . 1 . . . . . 9 T H2'' . 50278 2
54 . 2 . 2 9 9 DT H3 H 1 13.463 0.000 . 1 . . . . . 9 T H3 . 50278 2
55 . 2 . 2 9 9 DT H6 H 1 7.112 0.001 . 1 . . . . . 9 T H6 . 50278 2
56 . 2 . 2 9 9 DT H71 H 1 1.311 0.000 . 1 . . . . . 9 T H7 . 50278 2
57 . 2 . 2 9 9 DT H72 H 1 1.311 0.000 . 1 . . . . . 9 T H7 . 50278 2
58 . 2 . 2 9 9 DT H73 H 1 1.311 0.000 . 1 . . . . . 9 T H7 . 50278 2
59 . 2 . 2 10 10 DC H1' H 1 5.707 0.001 . 1 . . . . . 10 C H1' . 50278 2
60 . 2 . 2 10 10 DC H2' H 1 2.001 0.001 . 1 . . . . . 10 C H2' . 50278 2
61 . 2 . 2 10 10 DC H2'' H 1 2.375 0.003 . 1 . . . . . 10 C H2'' . 50278 2
62 . 2 . 2 10 10 DC H5 H 1 5.579 0.000 . 1 . . . . . 10 C H5 . 50278 2
63 . 2 . 2 10 10 DC H6 H 1 7.411 0.000 . 1 . . . . . 10 C H6 . 50278 2
64 . 2 . 2 10 10 DC H41 H 1 6.700 0.001 . 1 . . . . . 10 C H41 . 50278 2
65 . 2 . 2 10 10 DC H42 H 1 8.389 0.001 . 1 . . . . . 10 C H42 . 50278 2
66 . 2 . 2 11 11 DG H1 H 1 13.013 0.000 . 1 . . . . . 11 G H1 . 50278 2
67 . 2 . 2 11 11 DG H1' H 1 5.944 0.001 . 1 . . . . . 11 G H1' . 50278 2
68 . 2 . 2 11 11 DG H2' H 1 2.608 0.002 . 1 . . . . . 11 G H2' . 50278 2
69 . 2 . 2 11 11 DG H2'' H 1 2.722 0.003 . 1 . . . . . 11 G H2'' . 50278 2
70 . 2 . 2 11 11 DG H3' H 1 4.968 0.000 . 1 . . . . . 11 G H3' . 50278 2
71 . 2 . 2 11 11 DG H8 H 1 7.897 0.000 . 1 . . . . . 11 G H8 . 50278 2
72 . 2 . 2 12 12 DC H1' H 1 6.186 0.001 . 1 . . . . . 12 C H1' . 50278 2
73 . 2 . 2 12 12 DC H2' H 1 2.152 0.001 . 1 . . . . . 12 C H2' . 50278 2
74 . 2 . 2 12 12 DC H2'' H 1 2.187 0.000 . 1 . . . . . 12 C H2'' . 50278 2
75 . 2 . 2 12 12 DC H5 H 1 5.519 0.001 . 1 . . . . . 12 C H5 . 50278 2
76 . 2 . 2 12 12 DC H6 H 1 7.458 0.001 . 1 . . . . . 12 C H6 . 50278 2
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