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 35010
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 35010 1
2 '2D HOESY' . . . 35010 1
3 '2D TOCSY' . . . 35010 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_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 . 3 . 2 1 1 DT H1' H 1 6.331 0.00 . 1 . . . . C 1 DT H1' . 35010 1
2 . 3 . 2 1 1 DT H2' H 1 2.614 0.00 . . . . . . C 1 DT H2' . 35010 1
3 . 3 . 2 1 1 DT H2'' H 1 2.136 0.00 . . . . . . C 1 DT H2'' . 35010 1
4 . 3 . 2 1 1 DT H3 H 1 11.519 0.00 . 1 . . . . C 1 DT H3 . 35010 1
5 . 3 . 2 1 1 DT H3' H 1 4.832 0.00 . 1 . . . . C 1 DT H3' . 35010 1
6 . 3 . 2 1 1 DT H4' H 1 4.041 0.00 . 1 . . . . C 1 DT H4' . 35010 1
7 . 3 . 2 1 1 DT H5' H 1 3.845 0.00 . . . . . . C 1 DT H5' . 35010 1
8 . 3 . 2 1 1 DT H5'' H 1 3.945 0.00 . . . . . . C 1 DT H5'' . 35010 1
9 . 3 . 2 1 1 DT H6 H 1 7.639 0.00 . 1 . . . . C 1 DT H6 . 35010 1
10 . 3 . 2 1 1 DT H71 H 1 1.794 0.00 . 1 . . . . C 1 DT H71 . 35010 1
11 . 3 . 2 1 1 DT H72 H 1 1.794 0.00 . 1 . . . . C 1 DT H72 . 35010 1
12 . 3 . 2 1 1 DT H73 H 1 1.794 0.00 . 1 . . . . C 1 DT H73 . 35010 1
13 . 3 . 2 2 2 DNR H1' H 1 6.351 0.00 . . . . . . C 2 DNR H1' . 35010 1
14 . 3 . 2 2 2 DNR H2' H 1 2.570 0.02 . . . . . . C 2 DNR H2' . 35010 1
15 . 3 . 2 2 2 DNR H2'' H 1 1.965 0.03 . . . . . . C 2 DNR H2'' . 35010 1
16 . 3 . 2 2 2 DNR H3' H 1 4.860 0.00 . . . . . . C 2 DNR H3' . 35010 1
17 . 3 . 2 2 2 DNR H4' H 1 4.027 0.00 . . . . . . C 2 DNR H4' . 35010 1
18 . 3 . 2 2 2 DNR H5 H 1 6.013 0.01 . . . . . . C 2 DNR H5 . 35010 1
19 . 3 . 2 2 2 DNR H5' H 1 4.266 0.01 . . . . . . C 2 DNR H5' . 35010 1
20 . 3 . 2 2 2 DNR H5'' H 1 4.086 0.00 . . . . . . C 2 DNR H5'' . 35010 1
21 . 3 . 2 2 2 DNR H6 H 1 7.759 0.01 . . . . . . C 2 DNR H6 . 35010 1
22 . 3 . 2 2 2 DNR H41 H 1 9.150 0.00 . . . . . . C 2 DNR H41 . 35010 1
23 . 3 . 2 2 2 DNR H42 H 1 8.214 0.03 . . . . . . C 2 DNR H42 . 35010 1
24 . 3 . 2 3 3 DNR H1' H 1 6.391 0.01 . . . . . . C 3 DNR H1' . 35010 1
25 . 3 . 2 3 3 DNR H2' H 1 2.007 0.00 . . . . . . C 3 DNR H2' . 35010 1
26 . 3 . 2 3 3 DNR H2'' H 1 2.622 0.01 . . . . . . C 3 DNR H2'' . 35010 1
27 . 3 . 2 3 3 DNR H3' H 1 4.857 0.00 . . . . . . C 3 DNR H3' . 35010 1
28 . 3 . 2 3 3 DNR H4' H 1 4.102 0.01 . . . . . . C 3 DNR H4' . 35010 1
29 . 3 . 2 3 3 DNR H5 H 1 6.010 0.01 . . . . . . C 3 DNR H5 . 35010 1
30 . 3 . 2 3 3 DNR H6 H 1 7.671 0.00 . . . . . . C 3 DNR H6 . 35010 1
31 . 3 . 2 3 3 DNR H41 H 1 8.320 0.00 . . . . . . C 3 DNR H41 . 35010 1
32 . 3 . 2 3 3 DNR H42 H 1 9.194 0.00 . . . . . . C 3 DNR H42 . 35010 1
33 . 3 . 2 4 4 CFZ H1' H 1 6.518 0.00 . 1 . . . . C 4 CFZ H1' . 35010 1
34 . 3 . 2 4 4 CFZ H2' H 1 4.869 0.01 . 1 . . . . C 4 CFZ H2' . 35010 1
35 . 3 . 2 4 4 CFZ H3' H 1 4.668 0.00 . 1 . . . . C 4 CFZ H3' . 35010 1
36 . 3 . 2 4 4 CFZ H4' H 1 4.358 0.02 . 1 . . . . C 4 CFZ H4' . 35010 1
37 . 3 . 2 4 4 CFZ H5 H 1 5.997 0.00 . 1 . . . . C 4 CFZ H5 . 35010 1
38 . 3 . 2 4 4 CFZ H5' H 1 4.114 0.00 . . . . . . C 4 CFZ H5' . 35010 1
39 . 3 . 2 4 4 CFZ H5'A H 1 4.446 0.00 . . . . . . C 4 CFZ H5'A . 35010 1
40 . 3 . 2 4 4 CFZ H6 H 1 7.529 0.01 . 1 . . . . C 4 CFZ H6 . 35010 1
41 . 3 . 2 4 4 CFZ F2' F 19 -115.319 0.00 . . . . . . C 4 CFZ F2' . 35010 1
42 . 3 . 2 4 4 CFZ HN4 H 1 9.050 0.00 . . . . . . C 4 CFZ HN4 . 35010 1
43 . 3 . 2 4 4 CFZ HN4A H 1 8.731 0.00 . . . . . . C 4 CFZ HN4A . 35010 1
44 . 3 . 2 5 5 CFZ H1' H 1 6.517 0.01 . 1 . . . . C 5 CFZ H1' . 35010 1
45 . 3 . 2 5 5 CFZ H2' H 1 5.098 0.01 . 1 . . . . C 5 CFZ H2' . 35010 1
46 . 3 . 2 5 5 CFZ H3' H 1 4.639 0.00 . 1 . . . . C 5 CFZ H3' . 35010 1
47 . 3 . 2 5 5 CFZ H4' H 1 4.095 0.00 . 1 . . . . C 5 CFZ H4' . 35010 1
48 . 3 . 2 5 5 CFZ H5 H 1 5.961 0.00 . 1 . . . . C 5 CFZ H5 . 35010 1
49 . 3 . 2 5 5 CFZ H5' H 1 4.231 0.00 . . . . . . C 5 CFZ H5' . 35010 1
50 . 3 . 2 5 5 CFZ H5'A H 1 4.447 0.00 . . . . . . C 5 CFZ H5'A . 35010 1
51 . 3 . 2 5 5 CFZ H6 H 1 7.498 0.00 . 1 . . . . C 5 CFZ H6 . 35010 1
52 . 3 . 2 5 5 CFZ F2' F 19 -116.824 0.01 . . . . . . C 5 CFZ F2' . 35010 1
53 . 3 . 2 5 5 CFZ HN4 H 1 9.129 0.00 . . . . . . C 5 CFZ HN4 . 35010 1
54 . 3 . 2 5 5 CFZ HN4A H 1 8.621 0.00 . . . . . . C 5 CFZ HN4A . 35010 1
55 . 3 . 2 6 6 DNR H1' H 1 6.284 0.00 . . . . . . C 6 DNR H1' . 35010 1
56 . 3 . 2 6 6 DNR H2' H 1 2.410 0.07 . . . . . . C 6 DNR H2' . 35010 1
57 . 3 . 2 6 6 DNR H2'' H 1 2.157 0.00 . . . . . . C 6 DNR H2'' . 35010 1
58 . 3 . 2 6 6 DNR H3' H 1 4.340 0.00 . . . . . . C 6 DNR H3' . 35010 1
59 . 3 . 2 6 6 DNR H4' H 1 4.018 0.00 . . . . . . C 6 DNR H4' . 35010 1
60 . 3 . 2 6 6 DNR H5 H 1 6.016 0.01 . . . . . . C 6 DNR H5 . 35010 1
61 . 3 . 2 6 6 DNR H5' H 1 4.215 0.00 . . . . . . C 6 DNR H5' . 35010 1
62 . 3 . 2 6 6 DNR H5'' H 1 4.032 0.00 . . . . . . C 6 DNR H5'' . 35010 1
63 . 3 . 2 6 6 DNR H6 H 1 7.728 0.00 . . . . . . C 6 DNR H6 . 35010 1
64 . 3 . 2 6 6 DNR H41 H 1 9.162 0.00 . . . . . . C 6 DNR H41 . 35010 1
65 . 3 . 2 6 6 DNR H42 H 1 8.325 0.00 . . . . . . C 6 DNR H42 . 35010 1
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