Content for NMR-STAR saveframe, "assigned_chemical_shifts"
save_assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts
_Assigned_chem_shift_list.Entry_ID 4258
_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
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_one . 4258 1
stop_
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 H6 H 1 7.39 . . 1 . . . . . . . . 4258 1
2 . 1 1 1 1 DT H71 H 1 1.55 . . 2 . . . . . . . . 4258 1
3 . 1 1 1 1 DT H72 H 1 1.55 . . 2 . . . . . . . . 4258 1
4 . 1 1 1 1 DT H73 H 1 1.55 . . 2 . . . . . . . . 4258 1
5 . 1 1 1 1 DT H1' H 1 5.93 . . 1 . . . . . . . . 4258 1
6 . 1 1 1 1 DT H2' H 1 2.1 . . 1 . . . . . . . . 4258 1
7 . 1 1 1 1 DT H2'' H 1 2.43 . . 1 . . . . . . . . 4258 1
8 . 1 1 1 1 DT H3' H 1 4.06 . . 1 . . . . . . . . 4258 1
9 . 1 1 2 2 DT H3 H 1 13.4 . . 1 . . . . . . . . 4258 1
10 . 1 1 2 2 DT H6 H 1 7.6 . . 1 . . . . . . . . 4258 1
11 . 1 1 2 2 DT H71 H 1 1.81 . . 2 . . . . . . . . 4258 1
12 . 1 1 2 2 DT H72 H 1 1.81 . . 2 . . . . . . . . 4258 1
13 . 1 1 2 2 DT H73 H 1 1.81 . . 2 . . . . . . . . 4258 1
14 . 1 1 2 2 DT H1' H 1 6.06 . . 1 . . . . . . . . 4258 1
15 . 1 1 2 2 DT H2' H 1 2.28 . . 1 . . . . . . . . 4258 1
16 . 1 1 2 2 DT H2'' H 1 2.34 . . 1 . . . . . . . . 4258 1
17 . 1 1 2 2 DT H3' H 1 4.85 . . 1 . . . . . . . . 4258 1
18 . 1 1 3 3 DT H3 H 1 13.93 . . 1 . . . . . . . . 4258 1
19 . 1 1 3 3 DT H6 H 1 7.42 . . 1 . . . . . . . . 4258 1
20 . 1 1 3 3 DT H71 H 1 1.75 . . 2 . . . . . . . . 4258 1
21 . 1 1 3 3 DT H72 H 1 1.75 . . 2 . . . . . . . . 4258 1
22 . 1 1 3 3 DT H73 H 1 1.75 . . 2 . . . . . . . . 4258 1
23 . 1 1 3 3 DT H1' H 1 5.66 . . 1 . . . . . . . . 4258 1
24 . 1 1 3 3 DT H2' H 1 2.06 . . 1 . . . . . . . . 4258 1
25 . 1 1 3 3 DT H2'' H 1 2.38 . . 1 . . . . . . . . 4258 1
26 . 1 1 3 3 DT H3' H 1 4.88 . . 1 . . . . . . . . 4258 1
27 . 1 1 4 4 DG H1 H 1 12.68 . . 1 . . . . . . . . 4258 1
28 . 1 1 4 4 DG H8 H 1 7.98 . . 1 . . . . . . . . 4258 1
29 . 1 1 4 4 DG H1' H 1 5.49 . . 1 . . . . . . . . 4258 1
30 . 1 1 4 4 DG H2' H 1 2.74 . . 1 . . . . . . . . 4258 1
31 . 1 1 4 4 DG H2'' H 1 2.79 . . 1 . . . . . . . . 4258 1
32 . 1 1 4 4 DG H3' H 1 5.03 . . 1 . . . . . . . . 4258 1
33 . 1 1 5 5 DA H2 H 1 7.78 . . 1 . . . . . . . . 4258 1
34 . 1 1 5 5 DA H8 H 1 8.21 . . 1 . . . . . . . . 4258 1
35 . 1 1 5 5 DA H1' H 1 6.19 . . 1 . . . . . . . . 4258 1
36 . 1 1 5 5 DA H2' H 1 2.66 . . 1 . . . . . . . . 4258 1
37 . 1 1 5 5 DA H2'' H 1 2.87 . . 1 . . . . . . . . 4258 1
38 . 1 1 5 5 DA H3' H 1 5.05 . . 1 . . . . . . . . 4258 1
39 . 1 1 6 6 DC H41 H 1 8.1 . . 1 . . . . . . . . 4258 1
40 . 1 1 6 6 DC H42 H 1 6.5 . . 1 . . . . . . . . 4258 1
41 . 1 1 6 6 DC H5 H 1 5.19 . . 1 . . . . . . . . 4258 1
42 . 1 1 6 6 DC H6 H 1 7.17 . . 1 . . . . . . . . 4258 1
43 . 1 1 6 6 DC H1' H 1 5.52 . . 1 . . . . . . . . 4258 1
44 . 1 1 6 6 DC H2' H 1 1.9 . . 1 . . . . . . . . 4258 1
45 . 1 1 6 6 DC H2'' H 1 2.29 . . 1 . . . . . . . . 4258 1
46 . 1 1 6 6 DC H3' H 1 4.8 . . 1 . . . . . . . . 4258 1
47 . 1 1 7 7 DG H1 H 1 12.84 . . 1 . . . . . . . . 4258 1
48 . 1 1 7 7 DG H8 H 1 7.82 . . 1 . . . . . . . . 4258 1
49 . 1 1 7 7 DG H1' H 1 5.84 . . 1 . . . . . . . . 4258 1
50 . 1 1 7 7 DG H2' H 1 2.57 . . 1 . . . . . . . . 4258 1
51 . 1 1 7 7 DG H2'' H 1 2.67 . . 1 . . . . . . . . 4258 1
52 . 1 1 7 7 DG H3' H 1 4.96 . . 1 . . . . . . . . 4258 1
53 . 1 1 8 8 DC H41 H 1 8.24 . . 1 . . . . . . . . 4258 1
54 . 1 1 8 8 DC H42 H 1 6.35 . . 1 . . . . . . . . 4258 1
55 . 1 1 8 8 DC H5 H 1 5.29 . . 1 . . . . . . . . 4258 1
56 . 1 1 8 8 DC H6 H 1 7.28 . . 1 . . . . . . . . 4258 1
57 . 1 1 8 8 DC H1' H 1 5.63 . . 1 . . . . . . . . 4258 1
58 . 1 1 8 8 DC H2' H 1 2.03 . . 1 . . . . . . . . 4258 1
59 . 1 1 8 8 DC H2'' H 1 2.38 . . 1 . . . . . . . . 4258 1
60 . 1 1 8 8 DC H3' H 1 4.83 . . 1 . . . . . . . . 4258 1
61 . 1 1 9 9 DG H1 H 1 12.82 . . 1 . . . . . . . . 4258 1
62 . 1 1 9 9 DG H8 H 1 7.9 . . 1 . . . . . . . . 4258 1
63 . 1 1 9 9 DG H1' H 1 5.96 . . 1 . . . . . . . . 4258 1
64 . 1 1 9 9 DG H2' H 1 2.61 . . 1 . . . . . . . . 4258 1
65 . 1 1 9 9 DG H2'' H 1 2.78 . . 1 . . . . . . . . 4258 1
66 . 1 1 9 9 DG H3' H 1 4.95 . . 1 . . . . . . . . 4258 1
67 . 1 1 10 10 DT H3 H 1 13.74 . . 1 . . . . . . . . 4258 1
68 . 1 1 10 10 DT H6 H 1 7.21 . . 1 . . . . . . . . 4258 1
69 . 1 1 10 10 DT H71 H 1 1.4 . . 1 . . . . . . . . 4258 1
70 . 1 1 10 10 DT H72 H 1 1.4 . . 1 . . . . . . . . 4258 1
71 . 1 1 10 10 DT H73 H 1 1.4 . . 1 . . . . . . . . 4258 1
72 . 1 1 10 10 DT H1' H 1 5.93 . . 1 . . . . . . . . 4258 1
73 . 1 1 10 10 DT H2' H 1 2.02 . . 1 . . . . . . . . 4258 1
74 . 1 1 10 10 DT H2'' H 1 2.40 . . 1 . . . . . . . . 4258 1
75 . 1 1 10 10 DT H3' H 1 4.89 . . 1 . . . . . . . . 4258 1
76 . 1 1 11 11 DC H41 H 1 8.45 . . 1 . . . . . . . . 4258 1
77 . 1 1 11 11 DC H42 H 1 6.9 . . 1 . . . . . . . . 4258 1
78 . 1 1 11 11 DC H5 H 1 5.68 . . 1 . . . . . . . . 4258 1
79 . 1 1 11 11 DC H6 H 1 7.46 . . 1 . . . . . . . . 4258 1
80 . 1 1 11 11 DC H1' H 1 5.26 . . 1 . . . . . . . . 4258 1
81 . 1 1 11 11 DC H2' H 1 1.86 . . 1 . . . . . . . . 4258 1
82 . 1 1 11 11 DC H2'' H 1 2.16 . . 1 . . . . . . . . 4258 1
83 . 1 1 11 11 DC H3' H 1 4.77 . . 1 . . . . . . . . 4258 1
84 . 1 1 12 12 DA H2 H 1 7.56 . . 1 . . . . . . . . 4258 1
85 . 1 1 12 12 DA H8 H 1 8.12 . . 1 . . . . . . . . 4258 1
86 . 1 1 12 12 DA H1' H 1 5.89 . . 1 . . . . . . . . 4258 1
87 . 1 1 12 12 DA H2' H 1 2.63 . . 1 . . . . . . . . 4258 1
88 . 1 1 12 12 DA H2'' H 1 2.77 . . 1 . . . . . . . . 4258 1
89 . 1 1 12 12 DA H3' H 1 5.00 . . 1 . . . . . . . . 4258 1
90 . 1 1 13 13 DA H8 H 1 8.1 . . 1 . . . . . . . . 4258 1
91 . 1 1 13 13 DA H1' H 1 6.2 . . 1 . . . . . . . . 4258 1
92 . 1 1 13 13 DA H2' H 1 2.38 . . 1 . . . . . . . . 4258 1
93 . 1 1 13 13 DA H2'' H 1 2.63 . . 1 . . . . . . . . 4258 1
94 . 1 1 13 13 DA H3' H 1 5.00 . . 1 . . . . . . . . 4258 1
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save_