Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50278
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Mod12_assignment_37C_NMR-STAR
_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
3 '2D 1H-1H NOESY' . . . 50278 1
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 . . 50278 1
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 0.001 . 1 . . . . . 1 G H1' . 50278 1
2 . 1 . 1 1 1 DG H2' H 1 2.556 0.001 . 1 . . . . . 1 G H2' . 50278 1
3 . 1 . 1 1 1 DG H2'' H 1 2.755 0.001 . 1 . . . . . 1 G H2'' . 50278 1
4 . 1 . 1 1 1 DG H4' H 1 3.697 0.000 . 1 . . . . . 1 G H4' . 50278 1
5 . 1 . 1 1 1 DG H8 H 1 7.933 0.000 . 1 . . . . . 1 G H8 . 50278 1
6 . 1 . 1 2 2 DC H1' H 1 5.674 0.000 . 1 . . . . . 2 C H1' . 50278 1
7 . 1 . 1 2 2 DC H2' H 1 2.020 0.001 . 1 . . . . . 2 C H2' . 50278 1
8 . 1 . 1 2 2 DC H2'' H 1 2.387 0.002 . 1 . . . . . 2 C H2'' . 50278 1
9 . 1 . 1 2 2 DC H4' H 1 4.133 0.029 . 1 . . . . . 2 C H4' . 50278 1
10 . 1 . 1 2 2 DC H5 H 1 5.374 0.001 . 1 . . . . . 2 C H5 . 50278 1
11 . 1 . 1 2 2 DC H6 H 1 7.355 0.000 . 1 . . . . . 2 C H6 . 50278 1
12 . 1 . 1 2 2 DC H41 H 1 6.438 0.000 . 1 . . . . . 2 C H41 . 50278 1
13 . 1 . 1 2 2 DC H42 H 1 8.416 0.000 . 1 . . . . . 2 C H42 . 50278 1
14 . 1 . 1 3 3 DG H1' H 1 5.657 0.004 . 1 . . . . . 3 G H1' . 50278 1
15 . 1 . 1 3 3 DG H2' H 1 2.691 0.001 . 1 . . . . . 3 G H2' . 50278 1
16 . 1 . 1 3 3 DG H2'' H 1 2.807 0.001 . 1 . . . . . 3 G H2'' . 50278 1
17 . 1 . 1 3 3 DG H3' H 1 5.006 0.000 . 1 . . . . . 3 G H3' . 50278 1
18 . 1 . 1 3 3 DG H4' H 1 4.343 0.001 . 1 . . . . . 3 G H4' . 50278 1
19 . 1 . 1 3 3 DG H8 H 1 7.869 0.000 . 1 . . . . . 3 G H8 . 50278 1
20 . 1 . 1 4 4 DA H1' H 1 6.216 0.001 . 1 . . . . . 4 A H1' . 50278 1
21 . 1 . 1 4 4 DA H2 H 1 7.758 0.000 . 1 . . . . . 4 A H2 . 50278 1
22 . 1 . 1 4 4 DA H2' H 1 2.588 0.001 . 1 . . . . . 4 A H2' . 50278 1
23 . 1 . 1 4 4 DA H2'' H 1 2.884 0.003 . 1 . . . . . 4 A H2'' . 50278 1
24 . 1 . 1 4 4 DA H3' H 1 4.987 0.000 . 1 . . . . . 4 A H3' . 50278 1
25 . 1 . 1 4 4 DA H4' H 1 4.232 0.000 . 1 . . . . . 4 A H4' . 50278 1
26 . 1 . 1 4 4 DA H8 H 1 8.132 0.000 . 1 . . . . . 4 A H8 . 50278 1
27 . 1 . 1 5 5 DT H1' H 1 5.845 0.001 . 1 . . . . . 5 T H1' . 50278 1
28 . 1 . 1 5 5 DT H2' H 1 1.873 0.001 . 1 . . . . . 5 T H2' . 50278 1
29 . 1 . 1 5 5 DT H2'' H 1 2.470 0.002 . 1 . . . . . 5 T H2'' . 50278 1
30 . 1 . 1 5 5 DT H6 H 1 6.966 0.001 . 1 . . . . . 5 T H6 . 50278 1
31 . 1 . 1 5 5 DT H71 H 1 1.262 0.002 . 1 . . . . . 5 T H7 . 50278 1
32 . 1 . 1 5 5 DT H72 H 1 1.262 0.002 . 1 . . . . . 5 T H7 . 50278 1
33 . 1 . 1 5 5 DT H73 H 1 1.262 0.002 . 1 . . . . . 5 T H7 . 50278 1
34 . 1 . 1 6 6 5FC H1' H 1 5.643 0.001 . 1 . . . . . 6 C H1' . 50278 1
35 . 1 . 1 6 6 5FC H2' H 1 2.078 0.000 . 1 . . . . . 6 C H2' . 50278 1
36 . 1 . 1 6 6 5FC H2'' H 1 2.461 0.002 . 1 . . . . . 6 C H2'' . 50278 1
37 . 1 . 1 6 6 5FC H4' H 1 4.120 0.000 . 1 . . . . . 6 C H4' . 50278 1
38 . 1 . 1 6 6 5FC H6 H 1 8.337 0.000 . 1 . . . . . 6 C H6 . 50278 1
39 . 1 . 1 6 6 5FC H7 H 1 9.360 0.000 . 1 . . . . . 6 C H7 . 50278 1
40 . 1 . 1 6 6 5FC H41 H 1 7.857 0.000 . 1 . . . . . 6 C H41 . 50278 1
41 . 1 . 1 6 6 5FC H42 H 1 9.122 0.000 . 1 . . . . . 6 C H42 . 50278 1
42 . 1 . 1 7 7 DG H1' H 1 5.699 0.000 . 1 . . . . . 7 G H1' . 50278 1
43 . 1 . 1 7 7 DG H2' H 1 2.677 0.000 . 1 . . . . . 7 G H2' . 50278 1
44 . 1 . 1 7 7 DG H2'' H 1 2.800 0.000 . 1 . . . . . 7 G H2'' . 50278 1
45 . 1 . 1 7 7 DG H3' H 1 4.985 0.001 . 1 . . . . . 7 G H3' . 50278 1
46 . 1 . 1 7 7 DG H4' H 1 4.451 0.000 . 1 . . . . . 7 G H4' . 50278 1
47 . 1 . 1 7 7 DG H8 H 1 7.888 0.000 . 1 . . . . . 7 G H8 . 50278 1
48 . 1 . 1 8 8 DA H1' H 1 6.181 0.001 . 1 . . . . . 8 A H1' . 50278 1
49 . 1 . 1 8 8 DA H2 H 1 7.708 0.000 . 1 . . . . . 8 A H2 . 50278 1
50 . 1 . 1 8 8 DA H2' H 1 2.528 0.000 . 1 . . . . . 8 A H2' . 50278 1
51 . 1 . 1 8 8 DA H2'' H 1 2.869 0.000 . 1 . . . . . 8 A H2'' . 50278 1
52 . 1 . 1 8 8 DA H3' H 1 4.947 0.001 . 1 . . . . . 8 A H3' . 50278 1
53 . 1 . 1 8 8 DA H4' H 1 4.406 0.000 . 1 . . . . . 8 A H4' . 50278 1
54 . 1 . 1 8 8 DA H8 H 1 8.047 0.000 . 1 . . . . . 8 A H8 . 50278 1
55 . 1 . 1 9 9 DT H1' H 1 5.881 0.001 . 1 . . . . . 9 T H1' . 50278 1
56 . 1 . 1 9 9 DT H2' H 1 2.027 0.003 . 1 . . . . . 9 T H2' . 50278 1
57 . 1 . 1 9 9 DT H2'' H 1 2.423 0.000 . 1 . . . . . 9 T H2'' . 50278 1
58 . 1 . 1 9 9 DT H4' H 1 4.153 0.000 . 1 . . . . . 9 T H4' . 50278 1
59 . 1 . 1 9 9 DT H6 H 1 7.135 0.001 . 1 . . . . . 9 T H6 . 50278 1
60 . 1 . 1 9 9 DT H71 H 1 1.287 0.000 . 1 . . . . . 9 T H7 . 50278 1
61 . 1 . 1 9 9 DT H72 H 1 1.287 0.000 . 1 . . . . . 9 T H7 . 50278 1
62 . 1 . 1 9 9 DT H73 H 1 1.287 0.000 . 1 . . . . . 9 T H7 . 50278 1
63 . 1 . 1 10 10 DC H1' H 1 5.700 0.000 . 1 . . . . . 10 C H1' . 50278 1
64 . 1 . 1 10 10 DC H2' H 1 1.995 0.005 . 1 . . . . . 10 C H2' . 50278 1
65 . 1 . 1 10 10 DC H2'' H 1 2.373 0.001 . 1 . . . . . 10 C H2'' . 50278 1
66 . 1 . 1 10 10 DC H3' H 1 4.984 0.000 . 1 . . . . . 10 C H3' . 50278 1
67 . 1 . 1 10 10 DC H4' H 1 4.098 0.002 . 1 . . . . . 10 C H4' . 50278 1
68 . 1 . 1 10 10 DC H5 H 1 5.577 0.001 . 1 . . . . . 10 C H5 . 50278 1
69 . 1 . 1 10 10 DC H6 H 1 7.407 0.001 . 1 . . . . . 10 C H6 . 50278 1
70 . 1 . 1 10 10 DC H41 H 1 6.689 0.001 . 1 . . . . . 10 C H41 . 50278 1
71 . 1 . 1 10 10 DC H42 H 1 8.376 0.001 . 1 . . . . . 10 C H42 . 50278 1
72 . 1 . 1 11 11 DG H1' H 1 5.940 0.001 . 1 . . . . . 11 G H1' . 50278 1
73 . 1 . 1 11 11 DG H2' H 1 2.600 0.000 . 1 . . . . . 11 G H2' . 50278 1
74 . 1 . 1 11 11 DG H2'' H 1 2.720 0.001 . 1 . . . . . 11 G H2'' . 50278 1
75 . 1 . 1 11 11 DG H3' H 1 4.964 0.000 . 1 . . . . . 11 G H3' . 50278 1
76 . 1 . 1 11 11 DG H8 H 1 7.895 0.000 . 1 . . . . . 11 G H8 . 50278 1
77 . 1 . 1 12 12 DC H1' H 1 6.183 0.001 . 1 . . . . . 12 C H1' . 50278 1
78 . 1 . 1 12 12 DC H2' H 1 2.146 0.001 . 1 . . . . . 12 C H2' . 50278 1
79 . 1 . 1 12 12 DC H2'' H 1 2.183 0.001 . 1 . . . . . 12 C H2'' . 50278 1
80 . 1 . 1 12 12 DC H3' H 1 4.962 0.000 . 1 . . . . . 12 C H3' . 50278 1
81 . 1 . 1 12 12 DC H4' H 1 4.040 0.001 . 1 . . . . . 12 C H4' . 50278 1
82 . 1 . 1 12 12 DC H5 H 1 5.520 0.000 . 1 . . . . . 12 C H5 . 50278 1
83 . 1 . 1 12 12 DC H6 H 1 7.460 0.001 . 1 . . . . . 12 C H6 . 50278 1
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save_