Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16212
_Assigned_chem_shift_list.ID 1
_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 $chemical_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' . . . 16212 1
2 '2D 1H-1H TOCSY' . . . 16212 1
3 '2D DQF-COSY' . . . 16212 1
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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
3 $SPARKY . . 16212 1
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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 . 1 1 1 1 DT H1' H 1 6.38 0.01 . 1 . . . . 1 T H1' . 16212 1
2 . 1 1 1 1 DT H2' H 1 2.47 0.03 . 1 . . . . 1 T H2' . 16212 1
3 . 1 1 1 1 DT H2'' H 1 2.58 0.01 . 1 . . . . 1 T H2'' . 16212 1
4 . 1 1 1 1 DT H3' H 1 4.87 0.01 . 1 . . . . 1 T H3' . 16212 1
5 . 1 1 1 1 DT H4' H 1 4.27 0.01 . 1 . . . . 1 T H4' . 16212 1
6 . 1 1 1 1 DT H5' H 1 3.88 0.01 . 2 . . . . 1 T H5' . 16212 1
7 . 1 1 1 1 DT H6 H 1 7.71 0.01 . 1 . . . . 1 T H6 . 16212 1
8 . 1 1 1 1 DT H71 H 1 1.91 0.01 . 1 . . . . 1 T H7 . 16212 1
9 . 1 1 1 1 DT H72 H 1 1.91 0.01 . 1 . . . . 1 T H7 . 16212 1
10 . 1 1 1 1 DT H73 H 1 1.91 0.01 . 1 . . . . 1 T H7 . 16212 1
11 . 1 1 2 2 DC H1' H 1 6.32 0.01 . 1 . . . . 2 C H1' . 16212 1
12 . 1 1 2 2 DC H2' H 1 2.25 0.01 . 1 . . . . 2 C H2' . 16212 1
13 . 1 1 2 2 DC H2'' H 1 2.72 0.01 . 1 . . . . 2 C H2'' . 16212 1
14 . 1 1 2 2 DC H3' H 1 5.01 0.01 . 1 . . . . 2 C H3' . 16212 1
15 . 1 1 2 2 DC H4' H 1 4.33 0.02 . 1 . . . . 2 C H4' . 16212 1
16 . 1 1 2 2 DC H5 H 1 5.99 0.01 . 1 . . . . 2 C H5 . 16212 1
17 . 1 1 2 2 DC H5' H 1 4.15 0.01 . 2 . . . . 2 C H5' . 16212 1
18 . 1 1 2 2 DC H6 H 1 7.74 0.01 . 1 . . . . 2 C H6 . 16212 1
19 . 1 1 2 2 DC H41 H 1 6.88 0.01 . 1 . . . . 2 C H41 . 16212 1
20 . 1 1 2 2 DC H42 H 1 9.01 0.01 . 1 . . . . 2 C H42 . 16212 1
21 . 1 1 3 3 DG H1 H 1 13.63 0.01 . 1 . . . . 3 G H1 . 16212 1
22 . 1 1 3 3 DG H1' H 1 6.31 0.01 . 1 . . . . 3 G H1' . 16212 1
23 . 1 1 3 3 DG H2' H 1 2.84 0.01 . 1 . . . . 3 G H2' . 16212 1
24 . 1 1 3 3 DG H2'' H 1 2.53 0.01 . 1 . . . . 3 G H2'' . 16212 1
25 . 1 1 3 3 DG H3' H 1 5.12 0.02 . 1 . . . . 3 G H3' . 16212 1
26 . 1 1 3 3 DG H4' H 1 5.00 0.01 . 1 . . . . 3 G H4' . 16212 1
27 . 1 1 3 3 DG H8 H 1 8.04 0.01 . 1 . . . . 3 G H8 . 16212 1
28 . 1 1 3 3 DG H21 H 1 7.15 0.01 . 1 . . . . 3 G H21 . 16212 1
29 . 1 1 3 3 DG H22 H 1 8.99 0.01 . 1 . . . . 3 G H22 . 16212 1
30 . 1 1 4 4 DT H1' H 1 5.90 0.01 . 1 . . . . 4 T H1' . 16212 1
31 . 1 1 4 4 DT H2' H 1 1.93 0.01 . 1 . . . . 4 T H2' . 16212 1
32 . 1 1 4 4 DT H2'' H 1 2.39 0.01 . 1 . . . . 4 T H2'' . 16212 1
33 . 1 1 4 4 DT H3 H 1 10.90 0.01 . 5 . . . . 4 T H3 . 16212 1
34 . 1 1 4 4 DT H3' H 1 4.66 0.01 . 1 . . . . 4 T H3' . 16212 1
35 . 1 1 4 4 DT H4' H 1 3.36 0.01 . 1 . . . . 4 T H4' . 16212 1
36 . 1 1 4 4 DT H5' H 1 3.18 0.01 . 2 . . . . 4 T H5' . 16212 1
37 . 1 1 4 4 DT H5'' H 1 3.63 0.01 . 2 . . . . 4 T H5'' . 16212 1
38 . 1 1 4 4 DT H6 H 1 7.39 0.01 . 1 . . . . 4 T H6 . 16212 1
39 . 1 1 4 4 DT H71 H 1 1.81 0.01 . 1 . . . . 4 T H7 . 16212 1
40 . 1 1 4 4 DT H72 H 1 1.81 0.01 . 1 . . . . 4 T H7 . 16212 1
41 . 1 1 4 4 DT H73 H 1 1.81 0.01 . 1 . . . . 4 T H7 . 16212 1
42 . 1 1 5 5 DT H1' H 1 6.49 0.01 . 1 . . . . 5 T H1' . 16212 1
43 . 1 1 5 5 DT H2' H 1 2.30 0.01 . 1 . . . . 5 T H2' . 16212 1
44 . 1 1 5 5 DT H2'' H 1 2.51 0.01 . 1 . . . . 5 T H2'' . 16212 1
45 . 1 1 5 5 DT H3' H 1 4.58 0.01 . 1 . . . . 5 T H3' . 16212 1
46 . 1 1 5 5 DT H4' H 1 4.02 0.03 . 1 . . . . 5 T H4' . 16212 1
47 . 1 1 5 5 DT H6 H 1 7.85 0.01 . 1 . . . . 5 T H6 . 16212 1
48 . 1 1 5 5 DT H71 H 1 1.93 0.01 . 1 . . . . 5 T H7 . 16212 1
49 . 1 1 5 5 DT H72 H 1 1.93 0.01 . 1 . . . . 5 T H7 . 16212 1
50 . 1 1 5 5 DT H73 H 1 1.93 0.01 . 1 . . . . 5 T H7 . 16212 1
51 . 1 1 6 6 DG H1 H 1 13.51 0.01 . 1 . . . . 6 G H1 . 16212 1
52 . 1 1 6 6 DG H1' H 1 6.19 0.01 . 1 . . . . 6 G H1' . 16212 1
53 . 1 1 6 6 DG H2' H 1 2.82 0.02 . 1 . . . . 6 G H2' . 16212 1
54 . 1 1 6 6 DG H2'' H 1 2.95 0.01 . 1 . . . . 6 G H2'' . 16212 1
55 . 1 1 6 6 DG H3' H 1 5.03 0.01 . 1 . . . . 6 G H3' . 16212 1
56 . 1 1 6 6 DG H4' H 1 4.62 0.02 . 1 . . . . 6 G H4' . 16212 1
57 . 1 1 6 6 DG H5' H 1 4.23 0.01 . 2 . . . . 6 G H5' . 16212 1
58 . 1 1 6 6 DG H5'' H 1 4.06 0.02 . 2 . . . . 6 G H5'' . 16212 1
59 . 1 1 6 6 DG H8 H 1 8.19 0.01 . 1 . . . . 6 G H8 . 16212 1
60 . 1 1 6 6 DG H21 H 1 5.88 0.01 . 1 . . . . 6 G H21 . 16212 1
61 . 1 1 6 6 DG H22 H 1 9.13 0.01 . 1 . . . . 6 G H22 . 16212 1
62 . 1 1 7 7 DC H1' H 1 6.19 0.01 . 1 . . . . 7 C H1' . 16212 1
63 . 1 1 7 7 DC H2' H 1 2.43 0.01 . 1 . . . . 7 C H2' . 16212 1
64 . 1 1 7 7 DC H2'' H 1 2.58 0.01 . 1 . . . . 7 C H2'' . 16212 1
65 . 1 1 7 7 DC H3' H 1 4.98 0.01 . 1 . . . . 7 C H3' . 16212 1
66 . 1 1 7 7 DC H4' H 1 4.29 0.01 . 1 . . . . 7 C H4' . 16212 1
67 . 1 1 7 7 DC H5 H 1 5.46 0.01 . 1 . . . . 7 C H5 . 16212 1
68 . 1 1 7 7 DC H5' H 1 4.43 0.01 . 2 . . . . 7 C H5' . 16212 1
69 . 1 1 7 7 DC H6 H 1 7.55 0.01 . 1 . . . . 7 C H6 . 16212 1
70 . 1 1 7 7 DC H41 H 1 6.53 0.01 . 1 . . . . 7 C H41 . 16212 1
71 . 1 1 7 7 DC H42 H 1 8.59 0.01 . 1 . . . . 7 C H42 . 16212 1
72 . 1 1 8 8 DT H1' H 1 5.80 0.01 . 1 . . . . 8 T H1' . 16212 1
73 . 1 1 8 8 DT H2' H 1 2.33 0.01 . 1 . . . . 8 T H2' . 16212 1
74 . 1 1 8 8 DT H2'' H 1 1.98 0.01 . 1 . . . . 8 T H2'' . 16212 1
75 . 1 1 8 8 DT H3 H 1 10.42 0.01 . 5 . . . . 8 T H3 . 16212 1
76 . 1 1 8 8 DT H3' H 1 4.40 0.01 . 1 . . . . 8 T H3' . 16212 1
77 . 1 1 8 8 DT H4' H 1 3.81 0.01 . 1 . . . . 8 T H4' . 16212 1
78 . 1 1 8 8 DT H6 H 1 7.55 0.01 . 1 . . . . 8 T H6 . 16212 1
79 . 1 1 8 8 DT H71 H 1 1.62 0.01 . 1 . . . . 8 T H7 . 16212 1
80 . 1 1 8 8 DT H72 H 1 1.62 0.01 . 1 . . . . 8 T H7 . 16212 1
81 . 1 1 8 8 DT H73 H 1 1.62 0.01 . 1 . . . . 8 T H7 . 16212 1
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