Content for NMR-STAR saveframe, "shift_set_1"
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 4576
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_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
;
Three C2'-OH chemical shifts of the RNA adenines were assigned and additional
bond orientations were proposed according to their NOEs with neighboring
protons.
;
_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 . 4576 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 DC H41 H 1 8.09 . . 2 . . . . . . . . 4576 1
2 . 1 1 1 1 DC H42 H 1 6.99 . . 2 . . . . . . . . 4576 1
3 . 1 1 1 1 DC H5 H 1 5.74 . . 1 . . . . . . . . 4576 1
4 . 1 1 1 1 DC H6 H 1 7.52 . . 1 . . . . . . . . 4576 1
5 . 1 1 1 1 DC H1' H 1 5.61 . . 1 . . . . . . . . 4576 1
6 . 1 1 1 1 DC H2' H 1 1.87 . . 1 . . . . . . . . 4576 1
7 . 1 1 1 1 DC H2'' H 1 2.32 . . 1 . . . . . . . . 4576 1
8 . 1 1 1 1 DC H3' H 1 4.62 . . 1 . . . . . . . . 4576 1
9 . 1 1 1 1 DC H4' H 1 3.99 . . 1 . . . . . . . . 4576 1
10 . 1 1 2 2 DG H1 H 1 13.0 . . 1 . . . . . . . . 4576 1
11 . 1 1 2 2 DG H8 H 1 7.87 . . 1 . . . . . . . . 4576 1
12 . 1 1 2 2 DG H1' H 1 5.79 . . 1 . . . . . . . . 4576 1
13 . 1 1 2 2 DG H2' H 1 2.59 . . 1 . . . . . . . . 4576 1
14 . 1 1 2 2 DG H2'' H 1 2.65 . . 1 . . . . . . . . 4576 1
15 . 1 1 2 2 DG H3' H 1 4.90 . . 1 . . . . . . . . 4576 1
16 . 1 1 2 2 DG H4' H 1 4.29 . . 1 . . . . . . . . 4576 1
17 . 1 1 3 3 DC H41 H 1 8.27 . . 2 . . . . . . . . 4576 1
18 . 1 1 3 3 DC H42 H 1 6.42 . . 2 . . . . . . . . 4576 1
19 . 1 1 3 3 DC H5 H 1 5.32 . . 1 . . . . . . . . 4576 1
20 . 1 1 3 3 DC H6 H 1 7.25 . . 1 . . . . . . . . 4576 1
21 . 1 1 3 3 DC H1' H 1 5.61 . . 1 . . . . . . . . 4576 1
22 . 1 1 3 3 DC H2' H 1 2.05 . . 1 . . . . . . . . 4576 1
23 . 1 1 3 3 DC H2'' H 1 2.29 . . 1 . . . . . . . . 4576 1
24 . 1 1 3 3 DC H3' H 1 4.78 . . 1 . . . . . . . . 4576 1
25 . 1 1 3 3 DC H4' H 1 4.55 . . 1 . . . . . . . . 4576 1
26 . 1 1 4 4 A H2 H 1 6.87 . . 1 . . . . . . . . 4576 1
27 . 1 1 4 4 A H61 H 1 7.65 . . 2 . . . . . . . . 4576 1
28 . 1 1 4 4 A H62 H 1 6.31 . . 2 . . . . . . . . 4576 1
29 . 1 1 4 4 A H8 H 1 8.14 . . 1 . . . . . . . . 4576 1
30 . 1 1 4 4 A H1' H 1 5.68 . . 1 . . . . . . . . 4576 1
31 . 1 1 4 4 A H2' H 1 4.82 . . 1 . . . . . . . . 4576 1
32 . 1 1 4 4 A HO2' H 1 6.51 . . 1 . . . . . . . . 4576 1
33 . 1 1 4 4 A H3' H 1 4.13 . . 1 . . . . . . . . 4576 1
34 . 1 1 4 4 A H4' H 1 4.46 . . 1 . . . . . . . . 4576 1
35 . 1 1 5 5 A H2 H 1 7.20 . . 1 . . . . . . . . 4576 1
36 . 1 1 5 5 A H61 H 1 7.50 . . 2 . . . . . . . . 4576 1
37 . 1 1 5 5 A H62 H 1 6.44 . . 2 . . . . . . . . 4576 1
38 . 1 1 5 5 A H8 H 1 7.99 . . 1 . . . . . . . . 4576 1
39 . 1 1 5 5 A H1' H 1 5.80 . . 1 . . . . . . . . 4576 1
40 . 1 1 5 5 A H2' H 1 4.42 . . 1 . . . . . . . . 4576 1
41 . 1 1 5 5 A HO2' H 1 6.77 . . 1 . . . . . . . . 4576 1
42 . 1 1 5 5 A H3' H 1 4.51 . . 1 . . . . . . . . 4576 1
43 . 1 1 5 5 A H4' H 1 4.18 . . 1 . . . . . . . . 4576 1
44 . 1 1 6 6 A H2 H 1 7.71 . . 1 . . . . . . . . 4576 1
45 . 1 1 6 6 A H61 H 1 7.47 . . 2 . . . . . . . . 4576 1
46 . 1 1 6 6 A H62 H 1 6.81 . . 2 . . . . . . . . 4576 1
47 . 1 1 6 6 A H8 H 1 7.62 . . 1 . . . . . . . . 4576 1
48 . 1 1 6 6 A H1' H 1 5.64 . . 1 . . . . . . . . 4576 1
49 . 1 1 6 6 A H2' H 1 4.28 . . 1 . . . . . . . . 4576 1
50 . 1 1 6 6 A HO2' H 1 6.89 . . 1 . . . . . . . . 4576 1
51 . 1 1 6 6 A H3' H 1 4.42 . . 1 . . . . . . . . 4576 1
52 . 1 1 6 6 A H4' H 1 4.19 . . 1 . . . . . . . . 4576 1
53 . 1 1 7 7 DT H3 H 1 14.1 . . 1 . . . . . . . . 4576 1
54 . 1 1 7 7 DT H6 H 1 7.31 . . 1 . . . . . . . . 4576 1
55 . 1 1 7 7 DT H71 H 1 1.43 . . 2 . . . . . . . . 4576 1
56 . 1 1 7 7 DT H72 H 1 1.43 . . 2 . . . . . . . . 4576 1
57 . 1 1 7 7 DT H73 H 1 1.43 . . 2 . . . . . . . . 4576 1
58 . 1 1 7 7 DT H1' H 1 5.68 . . 1 . . . . . . . . 4576 1
59 . 1 1 7 7 DT H2' H 1 2.11 . . 1 . . . . . . . . 4576 1
60 . 1 1 7 7 DT H2'' H 1 2.51 . . 1 . . . . . . . . 4576 1
61 . 1 1 7 7 DT H3' H 1 4.56 . . 1 . . . . . . . . 4576 1
62 . 1 1 7 7 DT H4' H 1 4.14 . . 1 . . . . . . . . 4576 1
63 . 1 1 8 8 DT H3 H 1 13.6 . . 1 . . . . . . . . 4576 1
64 . 1 1 8 8 DT H6 H 1 7.56 . . 1 . . . . . . . . 4576 1
65 . 1 1 8 8 DT H71 H 1 1.68 . . 2 . . . . . . . . 4576 1
66 . 1 1 8 8 DT H72 H 1 1.68 . . 2 . . . . . . . . 4576 1
67 . 1 1 8 8 DT H73 H 1 1.68 . . 2 . . . . . . . . 4576 1
68 . 1 1 8 8 DT H1' H 1 6.10 . . 1 . . . . . . . . 4576 1
69 . 1 1 8 8 DT H2' H 1 2.15 . . 1 . . . . . . . . 4576 1
70 . 1 1 8 8 DT H2'' H 1 2.60 . . 1 . . . . . . . . 4576 1
71 . 1 1 8 8 DT H3' H 1 4.81 . . 1 . . . . . . . . 4576 1
72 . 1 1 8 8 DT H4' H 1 4.24 . . 1 . . . . . . . . 4576 1
73 . 1 1 9 9 DT H3 H 1 13.2 . . 1 . . . . . . . . 4576 1
74 . 1 1 9 9 DT H6 H 1 7.32 . . 1 . . . . . . . . 4576 1
75 . 1 1 9 9 DT H71 H 1 1.82 . . 2 . . . . . . . . 4576 1
76 . 1 1 9 9 DT H72 H 1 1.82 . . 2 . . . . . . . . 4576 1
77 . 1 1 9 9 DT H73 H 1 1.82 . . 2 . . . . . . . . 4576 1
78 . 1 1 9 9 DT H1' H 1 5.88 . . 1 . . . . . . . . 4576 1
79 . 1 1 9 9 DT H2' H 1 2.11 . . 1 . . . . . . . . 4576 1
80 . 1 1 9 9 DT H2'' H 1 2.43 . . 1 . . . . . . . . 4576 1
81 . 1 1 9 9 DT H3' H 1 4.87 . . 1 . . . . . . . . 4576 1
82 . 1 1 9 9 DT H4' H 1 4.13 . . 1 . . . . . . . . 4576 1
83 . 1 1 10 10 DG H1 H 1 12.4 . . 1 . . . . . . . . 4576 1
84 . 1 1 10 10 DG H8 H 1 7.80 . . 1 . . . . . . . . 4576 1
85 . 1 1 10 10 DG H1' H 1 5.77 . . 1 . . . . . . . . 4576 1
86 . 1 1 10 10 DG H2' H 1 2.55 . . 1 . . . . . . . . 4576 1
87 . 1 1 10 10 DG H2'' H 1 2.59 . . 1 . . . . . . . . 4576 1
88 . 1 1 10 10 DG H3' H 1 4.94 . . 1 . . . . . . . . 4576 1
89 . 1 1 10 10 DG H4' H 1 4.34 . . 1 . . . . . . . . 4576 1
90 . 1 1 11 11 DC H41 H 1 8.24 . . 2 . . . . . . . . 4576 1
91 . 1 1 11 11 DC H42 H 1 6.56 . . 2 . . . . . . . . 4576 1
92 . 1 1 11 11 DC H5 H 1 5.31 . . 1 . . . . . . . . 4576 1
93 . 1 1 11 11 DC H6 H 1 7.28 . . 1 . . . . . . . . 4576 1
94 . 1 1 11 11 DC H1' H 1 5.65 . . 1 . . . . . . . . 4576 1
95 . 1 1 11 11 DC H2' H 1 1.87 . . 1 . . . . . . . . 4576 1
96 . 1 1 11 11 DC H2'' H 1 2.27 . . 1 . . . . . . . . 4576 1
97 . 1 1 11 11 DC H3' H 1 4.78 . . 1 . . . . . . . . 4576 1
98 . 1 1 11 11 DC H4' H 1 4.13 . . 1 . . . . . . . . 4576 1
99 . 1 1 12 12 DG H8 H 1 7.87 . . 1 . . . . . . . . 4576 1
100 . 1 1 12 12 DG H1' H 1 6.06 . . 1 . . . . . . . . 4576 1
101 . 1 1 12 12 DG H2' H 1 2.29 . . 1 . . . . . . . . 4576 1
102 . 1 1 12 12 DG H2'' H 1 2.54 . . 1 . . . . . . . . 4576 1
103 . 1 1 12 12 DG H3' H 1 4.61 . . 1 . . . . . . . . 4576 1
104 . 1 1 12 12 DG H4' H 1 4.12 . . 1 . . . . . . . . 4576 1
stop_
save_