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 4547
_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_one
_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 . 4547 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 DA H2 H 1 8.037 . . 1 . . . . . . . . 4547 1
2 . 1 1 1 1 DA H8 H 1 8.234 . . 1 . . . . . . . . 4547 1
3 . 1 1 1 1 DA H1' H 1 6.252 . . 1 . . . . . . . . 4547 1
4 . 1 1 1 1 DA H2' H 1 2.720 . . 1 . . . . . . . . 4547 1
5 . 1 1 1 1 DA H2'' H 1 2.838 . . 1 . . . . . . . . 4547 1
6 . 1 1 1 1 DA H3' H 1 4.867 . . 1 . . . . . . . . 4547 1
7 . 1 1 1 1 DA H4' H 1 4.268 . . 1 . . . . . . . . 4547 1
8 . 1 1 1 1 DA H5' H 1 3.842 . . 2 . . . . . . . . 4547 1
9 . 1 1 1 1 DA H5'' H 1 3.842 . . 2 . . . . . . . . 4547 1
10 . 1 1 2 2 DT H6 H 1 7.480 . . 1 . . . . . . . . 4547 1
11 . 1 1 2 2 DT H71 H 1 1.487 . . 1 . . . . . . . . 4547 1
12 . 1 1 2 2 DT H72 H 1 1.487 . . 1 . . . . . . . . 4547 1
13 . 1 1 2 2 DT H73 H 1 1.487 . . 1 . . . . . . . . 4547 1
14 . 1 1 2 2 DT H1' H 1 6.090 . . 1 . . . . . . . . 4547 1
15 . 1 1 2 2 DT H2' H 1 2.356 . . 1 . . . . . . . . 4547 1
16 . 1 1 2 2 DT H2'' H 1 2.627 . . 1 . . . . . . . . 4547 1
17 . 1 1 2 2 DT H3' H 1 4.916 . . 1 . . . . . . . . 4547 1
18 . 1 1 2 2 DT H4' H 1 4.326 . . 1 . . . . . . . . 4547 1
19 . 1 1 2 2 DT H5' H 1 4.196 . . 2 . . . . . . . . 4547 1
20 . 1 1 2 2 DT H5'' H 1 4.146 . . 2 . . . . . . . . 4547 1
21 . 1 1 2 2 DT P P 31 -0.53 . . 1 . . . . . . . . 4547 1
22 . 1 1 3 3 DG H1 H 1 12.45 . . 1 . . . . . . . . 4547 1
23 . 1 1 3 3 DG H8 H 1 7.776 . . 1 . . . . . . . . 4547 1
24 . 1 1 3 3 DG H1' H 1 5.948 . . 1 . . . . . . . . 4547 1
25 . 1 1 3 3 DG H2' H 1 2.625 . . 1 . . . . . . . . 4547 1
26 . 1 1 3 3 DG H2'' H 1 2.768 . . 1 . . . . . . . . 4547 1
27 . 1 1 3 3 DG H3' H 1 4.961 . . 1 . . . . . . . . 4547 1
28 . 1 1 3 3 DG H4' H 1 4.416 . . 1 . . . . . . . . 4547 1
29 . 1 1 3 3 DG H5' H 1 4.203 . . 2 . . . . . . . . 4547 1
30 . 1 1 3 3 DG H5'' H 1 4.203 . . 2 . . . . . . . . 4547 1
31 . 1 1 3 3 DG P P 31 -0.44 . . 1 . . . . . . . . 4547 1
32 . 1 1 4 4 DG H1 H 1 12.90 . . 1 . . . . . . . . 4547 1
33 . 1 1 4 4 DG H8 H 1 7.519 . . 1 . . . . . . . . 4547 1
34 . 1 1 4 4 DG H1' H 1 5.974 . . 1 . . . . . . . . 4547 1
35 . 1 1 4 4 DG H2' H 1 2.619 . . 1 . . . . . . . . 4547 1
36 . 1 1 4 4 DG H2'' H 1 2.706 . . 1 . . . . . . . . 4547 1
37 . 1 1 4 4 DG H3' H 1 4.982 . . 1 . . . . . . . . 4547 1
38 . 1 1 4 4 DG H4' H 1 4.434 . . 1 . . . . . . . . 4547 1
39 . 1 1 4 4 DG H5' H 1 4.225 . . 2 . . . . . . . . 4547 1
40 . 1 1 4 4 DG H5'' H 1 4.225 . . 2 . . . . . . . . 4547 1
41 . 1 1 4 4 DG P P 31 -0.42 . . 1 . . . . . . . . 4547 1
42 . 1 1 5 5 T3P H3 H 1 13.29 . . 1 . . . . . . . . 4547 1
43 . 1 1 5 5 T3P H6 H 1 7.403 . . 1 . . . . . . . . 4547 1
44 . 1 1 5 5 T3P H51 H 1 1.295 . . 1 . . . . . . . . 4547 1
45 . 1 1 5 5 T3P H52 H 1 1.295 . . 1 . . . . . . . . 4547 1
46 . 1 1 5 5 T3P H53 H 1 1.295 . . 1 . . . . . . . . 4547 1
47 . 1 1 5 5 T3P H1' H 1 6.342 . . 1 . . . . . . . . 4547 1
48 . 1 1 5 5 T3P H2' H 1 3.090 . . 1 . . . . . . . . 4547 1
49 . 1 1 5 5 T3P H2'' H 1 2.094 . . 1 . . . . . . . . 4547 1
50 . 1 1 5 5 T3P H3' H 1 5.096 . . 1 . . . . . . . . 4547 1
51 . 1 1 5 5 T3P H4' H 1 4.821 . . 1 . . . . . . . . 4547 1
52 . 1 1 5 5 T3P H5' H 1 4.100 . . 1 . . . . . . . . 4547 1
53 . 1 1 5 5 T3P H5'' H 1 3.945 . . 1 . . . . . . . . 4547 1
54 . 1 1 5 5 T3P P P 31 -1.92 . . 1 . . . . . . . . 4547 1
55 . 1 1 6 6 DG H1 H 1 12.38 . . 1 . . . . . . . . 4547 1
56 . 1 1 6 6 DG H8 H 1 7.622 . . 1 . . . . . . . . 4547 1
57 . 1 1 6 6 DG H1' H 1 6.025 . . 1 . . . . . . . . 4547 1
58 . 1 1 6 6 DG H2' H 1 2.779 . . 1 . . . . . . . . 4547 1
59 . 1 1 6 6 DG H2'' H 1 2.701 . . 1 . . . . . . . . 4547 1
60 . 1 1 6 6 DG H3' H 1 4.619 . . 1 . . . . . . . . 4547 1
61 . 1 1 6 6 DG H4' H 1 4.384 . . 1 . . . . . . . . 4547 1
62 . 1 1 6 6 DG H5' H 1 4.175 . . 2 . . . . . . . . 4547 1
63 . 1 1 6 6 DG H5'' H 1 4.175 . . 2 . . . . . . . . 4547 1
64 . 1 1 6 6 DG P P 31 0.52 . . 1 . . . . . . . . 4547 1
65 . 1 1 7 7 DC H41 H 1 8.39 . . 1 . . . . . . . . 4547 1
66 . 1 1 7 7 DC H42 H 1 6.58 . . 1 . . . . . . . . 4547 1
67 . 1 1 7 7 DC H5 H 1 5.117 . . 1 . . . . . . . . 4547 1
68 . 1 1 7 7 DC H6 H 1 7.444 . . 1 . . . . . . . . 4547 1
69 . 1 1 7 7 DC H1' H 1 5.846 . . 1 . . . . . . . . 4547 1
70 . 1 1 7 7 DC H2' H 1 2.331 . . 1 . . . . . . . . 4547 1
71 . 1 1 7 7 DC H2'' H 1 2.570 . . 1 . . . . . . . . 4547 1
72 . 1 1 7 7 DC H3' H 1 4.601 . . 1 . . . . . . . . 4547 1
73 . 1 1 7 7 DC H4' H 1 4.245 . . 1 . . . . . . . . 4547 1
74 . 1 1 7 7 DC H5' H 1 4.187 . . 2 . . . . . . . . 4547 1
75 . 1 1 7 7 DC H5'' H 1 4.126 . . 2 . . . . . . . . 4547 1
76 . 1 1 7 7 DC P P 31 -0.47 . . 1 . . . . . . . . 4547 1
77 . 1 1 8 8 DT H3 H 1 13.85 . . 1 . . . . . . . . 4547 1
78 . 1 1 8 8 DT H6 H 1 7.657 . . 1 . . . . . . . . 4547 1
79 . 1 1 8 8 DT H71 H 1 1.492 . . 1 . . . . . . . . 4547 1
80 . 1 1 8 8 DT H72 H 1 1.492 . . 1 . . . . . . . . 4547 1
81 . 1 1 8 8 DT H73 H 1 1.492 . . 1 . . . . . . . . 4547 1
82 . 1 1 8 8 DT H1' H 1 6.092 . . 1 . . . . . . . . 4547 1
83 . 1 1 8 8 DT H2' H 1 2.323 . . 1 . . . . . . . . 4547 1
84 . 1 1 8 8 DT H2'' H 1 2.614 . . 1 . . . . . . . . 4547 1
85 . 1 1 8 8 DT H3' H 1 4.838 . . 1 . . . . . . . . 4547 1
86 . 1 1 8 8 DT H4' H 1 4.224 . . 1 . . . . . . . . 4547 1
87 . 1 1 8 8 DT H5' H 1 4.186 . . 2 . . . . . . . . 4547 1
88 . 1 1 8 8 DT H5'' H 1 4.119 . . 2 . . . . . . . . 4547 1
89 . 1 1 8 8 DT P P 31 -0.96 . . 1 . . . . . . . . 4547 1
90 . 1 1 9 9 DC H41 H 1 8.22 . . 1 . . . . . . . . 4547 1
91 . 1 1 9 9 DC H42 H 1 6.85 . . 1 . . . . . . . . 4547 1
92 . 1 1 9 9 DC H5 H 1 5.630 . . 1 . . . . . . . . 4547 1
93 . 1 1 9 9 DC H6 H 1 7.623 . . 1 . . . . . . . . 4547 1
94 . 1 1 9 9 DC H1' H 1 6.264 . . 1 . . . . . . . . 4547 1
95 . 1 1 9 9 DC H2' H 1 2.171 . . 1 . . . . . . . . 4547 1
96 . 1 1 9 9 DC H2'' H 1 2.258 . . 1 . . . . . . . . 4547 1
97 . 1 1 9 9 DC H3' H 1 4.524 . . 1 . . . . . . . . 4547 1
98 . 1 1 9 9 DC H4' H 1 4.040 . . 1 . . . . . . . . 4547 1
99 . 1 1 9 9 DC H5' H 1 4.195 . . 2 . . . . . . . . 4547 1
100 . 1 1 9 9 DC H5'' H 1 4.093 . . 2 . . . . . . . . 4547 1
101 . 1 1 9 9 DC P P 31 -0.45 . . 1 . . . . . . . . 4547 1
stop_
save_