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 53647
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name TTA-GT-pH6p8-H1'/H2'/H6/H8
_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 1H-1H NOESY' . . . 53647 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 53647 1
stop_
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 . 1 . 1 1 1 DG H1 H 1 12.762 0.001 . 1 . . . . . 1 G H1 . 53647 1
2 . 1 . 1 1 1 DG H1' H 1 5.643 0.000 . 1 . . . . . 1 G H1' . 53647 1
3 . 1 . 1 1 1 DG H2' H 1 2.295 0.001 . 1 . . . . . 1 G H2' . 53647 1
4 . 1 . 1 1 1 DG H2'' H 1 2.455 0.001 . 1 . . . . . 1 G H2'' . 53647 1
5 . 1 . 1 1 1 DG H4' H 1 3.885 0.000 . 1 . . . . . 1 G H4' . 53647 1
6 . 1 . 1 1 1 DG H8 H 1 7.635 0.001 . 1 . . . . . 1 G H8 . 53647 1
7 . 1 . 1 2 2 DC H1' H 1 5.302 0.001 . 1 . . . . . 2 C H1' . 53647 1
8 . 1 . 1 2 2 DC H2' H 1 1.872 0.000 . 1 . . . . . 2 C H2' . 53647 1
9 . 1 . 1 2 2 DC H2'' H 1 2.152 0.000 . 1 . . . . . 2 C H2'' . 53647 1
10 . 1 . 1 2 2 DC H4' H 1 3.873 0.000 . 1 . . . . . 2 C H4' . 53647 1
11 . 1 . 1 2 2 DC H5 H 1 5.089 0.001 . 1 . . . . . 2 C H5 . 53647 1
12 . 1 . 1 2 2 DC H6 H 1 7.145 0.000 . 1 . . . . . 2 C H6 . 53647 1
13 . 1 . 1 2 2 DC H41 H 1 8.114 0.001 . 1 . . . . . 2 C H41 . 53647 1
14 . 1 . 1 2 2 DC H42 H 1 6.290 0.001 . 1 . . . . . 2 C H42 . 53647 1
15 . 1 . 1 3 3 DA H1' H 1 5.975 0.000 . 1 . . . . . 3 A H1' . 53647 1
16 . 1 . 1 3 3 DA H2 H 1 7.374 0.000 . 1 . . . . . 3 A H2 . 53647 1
17 . 1 . 1 3 3 DA H2' H 1 2.405 0.001 . 1 . . . . . 3 A H2' . 53647 1
18 . 1 . 1 3 3 DA H2'' H 1 2.633 0.000 . 1 . . . . . 3 A H2'' . 53647 1
19 . 1 . 1 3 3 DA H4' H 1 4.125 0.000 . 1 . . . . . 3 A H4' . 53647 1
20 . 1 . 1 3 3 DA H8 H 1 8.048 0.000 . 1 . . . . . 3 A H8 . 53647 1
21 . 1 . 1 3 3 DA H61 H 1 7.453 0.000 . 1 . . . . . 3 A H61 . 53647 1
22 . 1 . 1 3 3 DA H62 H 1 6.057 0.001 . 1 . . . . . 3 A H62 . 53647 1
23 . 1 . 1 4 4 DT H1' H 1 5.590 0.002 . 1 . . . . . 4 T H1' . 53647 1
24 . 1 . 1 4 4 DT H2' H 1 1.601 0.002 . 1 . . . . . 4 T H2' . 53647 1
25 . 1 . 1 4 4 DT H2'' H 1 2.192 0.000 . 1 . . . . . 4 T H2'' . 53647 1
26 . 1 . 1 4 4 DT H3 H 1 13.252 0.001 . 1 . . . . . 4 T H3 . 53647 1
27 . 1 . 1 4 4 DT H4' H 1 3.881 0.000 . 1 . . . . . 4 T H4' . 53647 1
28 . 1 . 1 4 4 DT H6 H 1 6.818 0.000 . 1 . . . . . 4 T H6 . 53647 1
29 . 1 . 1 4 4 DT H71 H 1 1.055 0.001 . 2 . . . . . 4 T H71 . 53647 1
30 . 1 . 1 4 4 DT H72 H 1 1.055 0.001 . 2 . . . . . 4 T H72 . 53647 1
31 . 1 . 1 4 4 DT H73 H 1 1.055 0.001 . 2 . . . . . 4 T H73 . 53647 1
32 . 1 . 1 5 5 DT H1' H 1 5.151 0.001 . 1 . . . . . 5 T H1' . 53647 1
33 . 1 . 1 5 5 DT H2' H 1 1.875 0.001 . 1 . . . . . 5 T H2' . 53647 1
34 . 1 . 1 5 5 DT H2'' H 1 2.016 0.000 . 1 . . . . . 5 T H2'' . 53647 1
35 . 1 . 1 5 5 DT H3 H 1 11.448 0.000 . 1 . . . . . 5 T H3 . 53647 1
36 . 1 . 1 5 5 DT H4' H 1 3.703 0.000 . 1 . . . . . 5 T H4' . 53647 1
37 . 1 . 1 5 5 DT H6 H 1 7.116 0.000 . 1 . . . . . 5 T H6 . 53647 1
38 . 1 . 1 5 5 DT H71 H 1 1.385 0.001 . 2 . . . . . 5 T H71 . 53647 1
39 . 1 . 1 5 5 DT H72 H 1 1.385 0.001 . 2 . . . . . 5 T H72 . 53647 1
40 . 1 . 1 5 5 DT H73 H 1 1.385 0.001 . 2 . . . . . 5 T H73 . 53647 1
41 . 1 . 1 6 6 DA H1' H 1 5.689 0.000 . 1 . . . . . 6 A H1' . 53647 1
42 . 1 . 1 6 6 DA H2 H 1 6.818 0.001 . 1 . . . . . 6 A H2 . 53647 1
43 . 1 . 1 6 6 DA H2' H 1 2.416 0.000 . 1 . . . . . 6 A H2' . 53647 1
44 . 1 . 1 6 6 DA H2'' H 1 2.541 0.001 . 1 . . . . . 6 A H2'' . 53647 1
45 . 1 . 1 6 6 DA H4' H 1 4.075 0.000 . 1 . . . . . 6 A H4' . 53647 1
46 . 1 . 1 6 6 DA H8 H 1 7.898 0.001 . 1 . . . . . 6 A H8 . 53647 1
47 . 1 . 1 6 6 DA H61 H 1 7.473 0.000 . 1 . . . . . 6 A H61 . 53647 1
48 . 1 . 1 6 6 DA H62 H 1 6.013 0.000 . 1 . . . . . 6 A H62 . 53647 1
49 . 1 . 1 7 7 DG H1 H 1 12.426 0.001 . 1 . . . . . 7 G H1 . 53647 1
50 . 1 . 1 7 7 DG H1' H 1 5.377 0.000 . 1 . . . . . 7 G H1' . 53647 1
51 . 1 . 1 7 7 DG H2' H 1 1.847 0.000 . 1 . . . . . 7 G H2' . 53647 1
52 . 1 . 1 7 7 DG H2'' H 1 2.142 0.000 . 1 . . . . . 7 G H2'' . 53647 1
53 . 1 . 1 7 7 DG H4' H 1 3.926 0.000 . 1 . . . . . 7 G H4' . 53647 1
54 . 1 . 1 7 7 DG H8 H 1 7.128 0.001 . 1 . . . . . 7 G H8 . 53647 1
55 . 1 . 1 8 8 DC H1' H 1 5.458 0.002 . 1 . . . . . 8 C H1' . 53647 1
56 . 1 . 1 8 8 DC H2' H 1 1.319 0.000 . 1 . . . . . 8 C H2' . 53647 1
57 . 1 . 1 8 8 DC H2'' H 1 1.848 0.000 . 1 . . . . . 8 C H2'' . 53647 1
58 . 1 . 1 8 8 DC H4' H 1 3.793 0.000 . 1 . . . . . 8 C H4' . 53647 1
59 . 1 . 1 8 8 DC H5 H 1 4.490 0.001 . 1 . . . . . 8 C H5 . 53647 1
60 . 1 . 1 8 8 DC H6 H 1 6.543 0.001 . 1 . . . . . 8 C H6 . 53647 1
61 . 1 . 1 8 8 DC H41 H 1 7.961 0.000 . 1 . . . . . 8 C H41 . 53647 1
62 . 1 . 1 8 8 DC H42 H 1 6.295 0.001 . 1 . . . . . 8 C H42 . 53647 1
63 . 1 . 1 9 9 DG H4' H 1 4.066 0.000 . 1 . . . . . 9 G H4' . 53647 1
64 . 1 . 1 9 9 DG H8 H 1 7.717 0.000 . 1 . . . . . 9 G H8 . 53647 1
65 . 1 . 1 12 12 DG H1 H 1 12.552 0.001 . 1 . . . . . 12 G H1 . 53647 1
66 . 1 . 1 12 12 DG H1' H 1 5.079 0.000 . 1 . . . . . 12 G H1' . 53647 1
67 . 1 . 1 12 12 DG H2' H 1 2.095 0.001 . 1 . . . . . 12 G H2' . 53647 1
68 . 1 . 1 12 12 DG H2'' H 1 2.320 0.000 . 1 . . . . . 12 G H2'' . 53647 1
69 . 1 . 1 12 12 DG H4' H 1 4.057 0.000 . 1 . . . . . 12 G H4' . 53647 1
70 . 1 . 1 12 12 DG H8 H 1 7.710 0.001 . 1 . . . . . 12 G H8 . 53647 1
71 . 1 . 1 13 13 DC H1' H 1 5.760 0.000 . 1 . . . . . 13 C H1' . 53647 1
72 . 1 . 1 13 13 DC H2' H 1 1.834 0.001 . 1 . . . . . 13 C H2' . 53647 1
73 . 1 . 1 13 13 DC H2'' H 1 2.226 0.001 . 1 . . . . . 13 C H2'' . 53647 1
74 . 1 . 1 13 13 DC H4' H 1 3.973 0.000 . 1 . . . . . 13 C H4' . 53647 1
75 . 1 . 1 13 13 DC H5 H 1 4.994 0.001 . 1 . . . . . 13 C H5 . 53647 1
76 . 1 . 1 13 13 DC H6 H 1 7.176 0.001 . 1 . . . . . 13 C H6 . 53647 1
77 . 1 . 1 13 13 DC H41 H 1 7.793 0.002 . 1 . . . . . 13 C H41 . 53647 1
78 . 1 . 1 13 13 DC H42 H 1 6.211 0.001 . 1 . . . . . 13 C H42 . 53647 1
79 . 1 . 1 14 14 DT H1' H 1 5.499 0.000 . 1 . . . . . 14 T H1' . 53647 1
80 . 1 . 1 14 14 DT H2' H 1 1.963 0.000 . 1 . . . . . 14 T H2' . 53647 1
81 . 1 . 1 14 14 DT H2'' H 1 2.274 0.000 . 1 . . . . . 14 T H2'' . 53647 1
82 . 1 . 1 14 14 DT H3 H 1 13.539 0.000 . 1 . . . . . 14 T H3 . 53647 1
83 . 1 . 1 14 14 DT H4' H 1 3.824 0.000 . 1 . . . . . 14 T H4' . 53647 1
84 . 1 . 1 14 14 DT H6 H 1 7.100 0.000 . 1 . . . . . 14 T H6 . 53647 1
85 . 1 . 1 14 14 DT H71 H 1 1.303 0.002 . 2 . . . . . 14 T H71 . 53647 1
86 . 1 . 1 14 14 DT H72 H 1 1.303 0.002 . 2 . . . . . 14 T H72 . 53647 1
87 . 1 . 1 14 14 DT H73 H 1 1.303 0.002 . 2 . . . . . 14 T H73 . 53647 1
88 . 1 . 1 15 15 DG H1 H 1 9.703 0.000 . 1 . . . . . 15 G H1 . 53647 1
89 . 1 . 1 15 15 DG H1' H 1 5.409 0.001 . 1 . . . . . 15 G H1' . 53647 1
90 . 1 . 1 15 15 DG H2' H 1 2.218 0.000 . 1 . . . . . 15 G H2' . 53647 1
91 . 1 . 1 15 15 DG H2'' H 1 2.431 0.000 . 1 . . . . . 15 G H2'' . 53647 1
92 . 1 . 1 15 15 DG H4' H 1 4.021 0.000 . 1 . . . . . 15 G H4' . 53647 1
93 . 1 . 1 15 15 DG H8 H 1 7.463 0.000 . 1 . . . . . 15 G H8 . 53647 1
94 . 1 . 1 15 15 DG H21 H 1 5.040 0.001 . 1 . . . . . 15 G H21 . 53647 1
95 . 1 . 1 15 15 DG H22 H 1 5.040 0.001 . 1 . . . . . 15 G H22 . 53647 1
96 . 1 . 1 16 16 DA H1' H 1 5.789 0.000 . 1 . . . . . 16 A H1' . 53647 1
97 . 1 . 1 16 16 DA H2 H 1 7.405 0.001 . 1 . . . . . 16 A H2 . 53647 1
98 . 1 . 1 16 16 DA H2' H 1 2.181 0.000 . 1 . . . . . 16 A H2' . 53647 1
99 . 1 . 1 16 16 DA H2'' H 1 2.550 0.000 . 1 . . . . . 16 A H2'' . 53647 1
100 . 1 . 1 16 16 DA H4' H 1 4.085 0.002 . 1 . . . . . 16 A H4' . 53647 1
101 . 1 . 1 16 16 DA H8 H 1 7.797 0.000 . 1 . . . . . 16 A H8 . 53647 1
102 . 1 . 1 16 16 DA H61 H 1 7.165 0.000 . 1 . . . . . 16 A H61 . 53647 1
103 . 1 . 1 16 16 DA H62 H 1 5.721 0.001 . 1 . . . . . 16 A H62 . 53647 1
104 . 1 . 1 17 17 DT H1' H 1 5.379 0.000 . 1 . . . . . 17 T H1' . 53647 1
105 . 1 . 1 17 17 DT H2' H 1 1.615 0.001 . 1 . . . . . 17 T H2' . 53647 1
106 . 1 . 1 17 17 DT H2'' H 1 1.998 0.000 . 1 . . . . . 17 T H2'' . 53647 1
107 . 1 . 1 17 17 DT H3 H 1 13.299 0.001 . 1 . . . . . 17 T H3 . 53647 1
108 . 1 . 1 17 17 DT H4' H 1 3.775 0.000 . 1 . . . . . 17 T H4' . 53647 1
109 . 1 . 1 17 17 DT H6 H 1 6.755 0.000 . 1 . . . . . 17 T H6 . 53647 1
110 . 1 . 1 17 17 DT H71 H 1 1.000 0.001 . 2 . . . . . 17 T H71 . 53647 1
111 . 1 . 1 17 17 DT H72 H 1 1.000 0.001 . 2 . . . . . 17 T H72 . 53647 1
112 . 1 . 1 17 17 DT H73 H 1 1.000 0.001 . 2 . . . . . 17 T H73 . 53647 1
113 . 1 . 1 18 18 DG H1 H 1 12.475 0.000 . 1 . . . . . 18 G H1 . 53647 1
114 . 1 . 1 18 18 DG H1' H 1 5.537 0.000 . 1 . . . . . 18 G H1' . 53647 1
115 . 1 . 1 18 18 DG H2' H 1 2.251 0.001 . 1 . . . . . 18 G H2' . 53647 1
116 . 1 . 1 18 18 DG H2'' H 1 2.341 0.001 . 1 . . . . . 18 G H2'' . 53647 1
117 . 1 . 1 18 18 DG H4' H 1 4.009 0.000 . 1 . . . . . 18 G H4' . 53647 1
118 . 1 . 1 18 18 DG H8 H 1 7.533 0.001 . 1 . . . . . 18 G H8 . 53647 1
119 . 1 . 1 19 19 DC H1' H 1 5.843 0.000 . 1 . . . . . 19 C H1' . 53647 1
120 . 1 . 1 19 19 DC H2' H 1 1.819 0.000 . 1 . . . . . 19 C H2' . 53647 1
121 . 1 . 1 19 19 DC H4' H 1 3.710 0.000 . 1 . . . . . 19 C H4' . 53647 1
122 . 1 . 1 19 19 DC H5 H 1 5.101 0.001 . 1 . . . . . 19 C H5 . 53647 1
123 . 1 . 1 19 19 DC H6 H 1 7.130 0.000 . 1 . . . . . 19 C H6 . 53647 1
124 . 1 . 1 19 19 DC H41 H 1 7.887 0.001 . 1 . . . . . 19 C H41 . 53647 1
125 . 1 . 1 19 19 DC H42 H 1 6.400 0.001 . 1 . . . . . 19 C H42 . 53647 1
stop_
save_