Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4647
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_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_1 . 4647 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 H1' H 1 5.86 0.01 . 1 . . . . . . . . 4647 1
2 . 1 1 1 1 DT H2' H 1 1.86 0.01 . 1 . . . . . . . . 4647 1
3 . 1 1 1 1 DT H2'' H 1 2.27 0.01 . 1 . . . . . . . . 4647 1
4 . 1 1 1 1 DT H3' H 1 4.62 0.01 . 1 . . . . . . . . 4647 1
5 . 1 1 1 1 DT H4' H 1 4.36 0.01 . 1 . . . . . . . . 4647 1
6 . 1 1 1 1 DT H6 H 1 7.36 0.01 . 1 . . . . . . . . 4647 1
7 . 1 1 1 1 DT H71 H 1 1.57 0.01 . 1 . . . . . . . . 4647 1
8 . 1 1 1 1 DT H72 H 1 1.57 0.01 . 1 . . . . . . . . 4647 1
9 . 1 1 1 1 DT H73 H 1 1.57 0.01 . 1 . . . . . . . . 4647 1
10 . 1 1 2 2 DG H1' H 1 5.92 0.01 . 1 . . . . . . . . 4647 1
11 . 1 1 2 2 DG H2' H 1 2.73 0.01 . 1 . . . . . . . . 4647 1
12 . 1 1 2 2 DG H2'' H 1 2.73 0.01 . 1 . . . . . . . . 4647 1
13 . 1 1 2 2 DG H3' H 1 4.95 0.01 . 1 . . . . . . . . 4647 1
14 . 1 1 2 2 DG H4' H 1 4.36 0.01 . 1 . . . . . . . . 4647 1
15 . 1 1 2 2 DG H8 H 1 8.00 0.01 . 1 . . . . . . . . 4647 1
16 . 1 1 2 2 DG H1 H 1 12.88 0.01 . 1 . . . . . . . . 4647 1
17 . 1 1 3 3 DC H1' H 1 5.97 0.01 . 1 . . . . . . . . 4647 1
18 . 1 1 3 3 DC H2' H 1 2.19 0.01 . 1 . . . . . . . . 4647 1
19 . 1 1 3 3 DC H2'' H 1 2.44 0.01 . 1 . . . . . . . . 4647 1
20 . 1 1 3 3 DC H3' H 1 4.77 0.01 . 1 . . . . . . . . 4647 1
21 . 1 1 3 3 DC H4' H 1 4.23 0.01 . 1 . . . . . . . . 4647 1
22 . 1 1 3 3 DC H6 H 1 7.41 0.01 . 1 . . . . . . . . 4647 1
23 . 1 1 3 3 DC H5 H 1 5.34 0.01 . 1 . . . . . . . . 4647 1
24 . 1 1 3 3 DC H41 H 1 8.22 0.01 . 1 . . . . . . . . 4647 1
25 . 1 1 3 3 DC H42 H 1 6.49 0.01 . 1 . . . . . . . . 4647 1
26 . 1 1 4 4 DC H1' H 1 5.80 0.01 . 1 . . . . . . . . 4647 1
27 . 1 1 4 4 DC H2' H 1 1.87 0.01 . 1 . . . . . . . . 4647 1
28 . 1 1 4 4 DC H2'' H 1 2.25 0.01 . 1 . . . . . . . . 4647 1
29 . 1 1 4 4 DC H3' H 1 4.66 0.01 . 1 . . . . . . . . 4647 1
30 . 1 1 4 4 DC H4' H 1 4.00 0.01 . 1 . . . . . . . . 4647 1
31 . 1 1 4 4 DC H6 H 1 7.38 0.01 . 1 . . . . . . . . 4647 1
32 . 1 1 4 4 DC H5 H 1 5.46 0.01 . 1 . . . . . . . . 4647 1
33 . 1 1 4 4 DC H41 H 1 8.32 0.01 . 1 . . . . . . . . 4647 1
34 . 1 1 4 4 DC H42 H 1 6.81 0.01 . 1 . . . . . . . . 4647 1
35 . 1 1 5 5 DC H1' H 1 5.66 0.01 . 1 . . . . . . . . 4647 1
36 . 1 1 5 5 DC H2' H 1 1.21 0.01 . 1 . . . . . . . . 4647 1
37 . 1 1 5 5 DC H2'' H 1 1.60 0.01 . 1 . . . . . . . . 4647 1
38 . 1 1 5 5 DC H3' H 1 4.44 0.01 . 1 . . . . . . . . 4647 1
39 . 1 1 5 5 DC H4' H 1 3.80 0.01 . 1 . . . . . . . . 4647 1
40 . 1 1 5 5 DC H6 H 1 7.06 0.01 . 1 . . . . . . . . 4647 1
41 . 1 1 5 5 DC H5 H 1 5.37 0.01 . 1 . . . . . . . . 4647 1
42 . 1 1 5 5 DC H41 H 1 8.38 0.01 . 1 . . . . . . . . 4647 1
43 . 1 1 5 5 DC H42 H 1 7.02 0.01 . 1 . . . . . . . . 4647 1
44 . 1 1 6 6 DT H1' H 1 5.10 0.01 . 1 . . . . . . . . 4647 1
45 . 1 1 6 6 DT H2' H 1 1.72 0.01 . 1 . . . . . . . . 4647 1
46 . 1 1 6 6 DT H2'' H 1 1.99 0.01 . 1 . . . . . . . . 4647 1
47 . 1 1 6 6 DT H3' H 1 4.59 0.01 . 1 . . . . . . . . 4647 1
48 . 1 1 6 6 DT H4' H 1 3.85 0.01 . 1 . . . . . . . . 4647 1
49 . 1 1 6 6 DT H6 H 1 6.08 0.01 . 1 . . . . . . . . 4647 1
50 . 1 1 6 6 DT H71 H 1 0.44 0.01 . 1 . . . . . . . . 4647 1
51 . 1 1 6 6 DT H72 H 1 0.44 0.01 . 1 . . . . . . . . 4647 1
52 . 1 1 6 6 DT H73 H 1 0.44 0.01 . 1 . . . . . . . . 4647 1
53 . 1 1 6 6 DT H3 H 1 11.63 0.01 . 1 . . . . . . . . 4647 1
54 . 1 1 7 7 DT H1' H 1 5.19 0.01 . 1 . . . . . . . . 4647 1
55 . 1 1 7 7 DT H2' H 1 2.13 0.01 . 1 . . . . . . . . 4647 1
56 . 1 1 7 7 DT H2'' H 1 2.25 0.01 . 1 . . . . . . . . 4647 1
57 . 1 1 7 7 DT H3' H 1 4.60 0.01 . 1 . . . . . . . . 4647 1
58 . 1 1 7 7 DT H4' H 1 3.93 0.01 . 1 . . . . . . . . 4647 1
59 . 1 1 7 7 DT H6 H 1 7.45 0.01 . 1 . . . . . . . . 4647 1
60 . 1 1 7 7 DT H71 H 1 1.95 0.01 . 1 . . . . . . . . 4647 1
61 . 1 1 7 7 DT H72 H 1 1.95 0.01 . 1 . . . . . . . . 4647 1
62 . 1 1 7 7 DT H73 H 1 1.95 0.01 . 1 . . . . . . . . 4647 1
63 . 1 1 7 7 DT H3 H 1 12.82 0.01 . 1 . . . . . . . . 4647 1
64 . 1 1 8 8 DG H1' H 1 5.31 0.01 . 1 . . . . . . . . 4647 1
65 . 1 1 8 8 DG H2' H 1 2.71 0.01 . 1 . . . . . . . . 4647 1
66 . 1 1 8 8 DG H2'' H 1 2.71 0.01 . 1 . . . . . . . . 4647 1
67 . 1 1 8 8 DG H3' H 1 4.95 0.01 . 1 . . . . . . . . 4647 1
68 . 1 1 8 8 DG H4' H 1 4.30 0.01 . 1 . . . . . . . . 4647 1
69 . 1 1 8 8 DG H8 H 1 7.90 0.01 . 1 . . . . . . . . 4647 1
70 . 1 1 8 8 DG H1 H 1 12.57 0.01 . 1 . . . . . . . . 4647 1
71 . 1 1 9 9 DA H1' H 1 6.16 0.01 . 1 . . . . . . . . 4647 1
72 . 1 1 9 9 DA H2' H 1 2.68 0.01 . 1 . . . . . . . . 4647 1
73 . 1 1 9 9 DA H2'' H 1 2.81 0.01 . 1 . . . . . . . . 4647 1
74 . 1 1 9 9 DA H3' H 1 4.96 0.01 . 1 . . . . . . . . 4647 1
75 . 1 1 9 9 DA H4' H 1 4.40 0.01 . 1 . . . . . . . . 4647 1
76 . 1 1 9 9 DA H8 H 1 8.16 0.01 . 1 . . . . . . . . 4647 1
77 . 1 1 9 9 DA H2 H 1 7.77 0.01 . 1 . . . . . . . . 4647 1
78 . 1 1 10 10 DC H1' H 1 5.73 0.01 . 1 . . . . . . . . 4647 1
79 . 1 1 10 10 DC H2' H 1 1.81 0.01 . 1 . . . . . . . . 4647 1
80 . 1 1 10 10 DC H2'' H 1 2.29 0.01 . 1 . . . . . . . . 4647 1
81 . 1 1 10 10 DC H3' H 1 4.60 0.01 . 1 . . . . . . . . 4647 1
82 . 1 1 10 10 DC H4' H 1 4.24 0.01 . 1 . . . . . . . . 4647 1
83 . 1 1 10 10 DC H6 H 1 7.22 0.01 . 1 . . . . . . . . 4647 1
84 . 1 1 10 10 DC H5 H 1 5.19 0.01 . 1 . . . . . . . . 4647 1
85 . 1 1 10 10 DC H41 H 1 8.06 0.01 . 1 . . . . . . . . 4647 1
86 . 1 1 10 10 DC H42 H 1 6.75 0.01 . 1 . . . . . . . . 4647 1
87 . 1 1 11 11 DT H1' H 1 5.86 0.01 . 1 . . . . . . . . 4647 1
88 . 1 1 11 11 DT H2' H 1 1.97 0.01 . 1 . . . . . . . . 4647 1
89 . 1 1 11 11 DT H2'' H 1 2.28 0.01 . 1 . . . . . . . . 4647 1
90 . 1 1 11 11 DT H3' H 1 4.76 0.01 . 1 . . . . . . . . 4647 1
91 . 1 1 11 11 DT H4' H 1 4.02 0.01 . 1 . . . . . . . . 4647 1
92 . 1 1 11 11 DT H6 H 1 7.29 0.01 . 1 . . . . . . . . 4647 1
93 . 1 1 11 11 DT H71 H 1 1.58 0.01 . 1 . . . . . . . . 4647 1
94 . 1 1 11 11 DT H72 H 1 1.58 0.01 . 1 . . . . . . . . 4647 1
95 . 1 1 11 11 DT H73 H 1 1.58 0.01 . 1 . . . . . . . . 4647 1
96 . 1 1 12 12 DA H1' H 1 6.25 0.01 . 1 . . . . . . . . 4647 1
97 . 1 1 12 12 DA H2' H 1 2.63 0.01 . 1 . . . . . . . . 4647 1
98 . 1 1 12 12 DA H2'' H 1 2.40 0.01 . 1 . . . . . . . . 4647 1
99 . 1 1 12 12 DA H3' H 1 4.65 0.01 . 1 . . . . . . . . 4647 1
100 . 1 1 12 12 DA H4' H 1 4.13 0.01 . 1 . . . . . . . . 4647 1
101 . 1 1 12 12 DA H8 H 1 8.20 0.01 . 1 . . . . . . . . 4647 1
stop_
save_