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 53595
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name TTT-GT-pH6p8-H1'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' . . . 53595 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 . . 53595 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 12.767 0.000 . 1 . . . . . 1 G H1 . 53595 1
2 . 1 . 1 1 1 DG H1' H 1 5.637 0.001 . 1 . . . . . 1 G H1' . 53595 1
3 . 1 . 1 1 1 DG H2' H 1 2.292 0.002 . 1 . . . . . 1 G H2' . 53595 1
4 . 1 . 1 1 1 DG H2'' H 1 2.450 0.000 . 1 . . . . . 1 G H2'' . 53595 1
5 . 1 . 1 1 1 DG H4' H 1 3.885 0.000 . 1 . . . . . 1 G H4' . 53595 1
6 . 1 . 1 1 1 DG H8 H 1 7.634 0.000 . 1 . . . . . 1 G H8 . 53595 1
7 . 1 . 1 2 2 DC H1' H 1 5.286 0.002 . 1 . . . . . 2 C H1' . 53595 1
8 . 1 . 1 2 2 DC H2' H 1 1.870 0.001 . 1 . . . . . 2 C H2' . 53595 1
9 . 1 . 1 2 2 DC H2'' H 1 2.146 0.000 . 1 . . . . . 2 C H2'' . 53595 1
10 . 1 . 1 2 2 DC H4' H 1 3.871 0.000 . 1 . . . . . 2 C H4' . 53595 1
11 . 1 . 1 2 2 DC H5 H 1 5.088 0.001 . 1 . . . . . 2 C H5 . 53595 1
12 . 1 . 1 2 2 DC H6 H 1 7.150 0.002 . 1 . . . . . 2 C H6 . 53595 1
13 . 1 . 1 2 2 DC H41 H 1 8.122 0.000 . 1 . . . . . 2 C H41 . 53595 1
14 . 1 . 1 2 2 DC H42 H 1 6.279 0.000 . 1 . . . . . 2 C H42 . 53595 1
15 . 1 . 1 3 3 DA H1' H 1 5.991 0.000 . 1 . . . . . 3 A H1' . 53595 1
16 . 1 . 1 3 3 DA H2 H 1 7.370 0.002 . 1 . . . . . 3 A H2 . 53595 1
17 . 1 . 1 3 3 DA H2' H 1 2.417 0.000 . 1 . . . . . 3 A H2' . 53595 1
18 . 1 . 1 3 3 DA H2'' H 1 2.641 0.000 . 1 . . . . . 3 A H2'' . 53595 1
19 . 1 . 1 3 3 DA H4' H 1 4.133 0.000 . 1 . . . . . 3 A H4' . 53595 1
20 . 1 . 1 3 3 DA H8 H 1 8.050 0.001 . 1 . . . . . 3 A H8 . 53595 1
21 . 1 . 1 4 4 DT H1' H 1 5.623 0.001 . 1 . . . . . 4 T H1' . 53595 1
22 . 1 . 1 4 4 DT H2' H 1 1.650 0.000 . 1 . . . . . 4 T H2' . 53595 1
23 . 1 . 1 4 4 DT H2'' H 1 2.232 0.001 . 1 . . . . . 4 T H2'' . 53595 1
24 . 1 . 1 4 4 DT H3 H 1 13.160 0.001 . 1 . . . . . 4 T H3 . 53595 1
25 . 1 . 1 4 4 DT H4' H 1 3.897 0.000 . 1 . . . . . 4 T H4' . 53595 1
26 . 1 . 1 4 4 DT H6 H 1 6.834 0.000 . 1 . . . . . 4 T H6 . 53595 1
27 . 1 . 1 4 4 DT H71 H 1 1.054 0.000 . 2 . . . . . 4 T H71 . 53595 1
28 . 1 . 1 4 4 DT H72 H 1 1.054 0.000 . 2 . . . . . 4 T H72 . 53595 1
29 . 1 . 1 4 4 DT H73 H 1 1.054 0.000 . 2 . . . . . 4 T H73 . 53595 1
30 . 1 . 1 5 5 DT H1' H 1 5.566 0.001 . 1 . . . . . 5 T H1' . 53595 1
31 . 1 . 1 5 5 DT H2' H 1 1.684 0.000 . 1 . . . . . 5 T H2' . 53595 1
32 . 1 . 1 5 5 DT H2'' H 1 2.030 0.000 . 1 . . . . . 5 T H2'' . 53595 1
33 . 1 . 1 5 5 DT H3 H 1 11.497 0.000 . 1 . . . . . 5 T H3 . 53595 1
34 . 1 . 1 5 5 DT H4' H 1 3.720 0.000 . 1 . . . . . 5 T H4' . 53595 1
35 . 1 . 1 5 5 DT H6 H 1 7.094 0.000 . 1 . . . . . 5 T H6 . 53595 1
36 . 1 . 1 5 5 DT H71 H 1 1.342 0.002 . 2 . . . . . 5 T H71 . 53595 1
37 . 1 . 1 5 5 DT H72 H 1 1.342 0.002 . 2 . . . . . 5 T H72 . 53595 1
38 . 1 . 1 5 5 DT H73 H 1 1.342 0.002 . 2 . . . . . 5 T H73 . 53595 1
39 . 1 . 1 6 6 DT H1' H 1 5.299 0.000 . 1 . . . . . 6 T H1' . 53595 1
40 . 1 . 1 6 6 DT H2' H 1 1.971 0.001 . 1 . . . . . 6 T H2' . 53595 1
41 . 1 . 1 6 6 DT H2'' H 1 2.126 0.000 . 1 . . . . . 6 T H2'' . 53595 1
42 . 1 . 1 6 6 DT H3 H 1 13.922 0.001 . 1 . . . . . 6 T H3 . 53595 1
43 . 1 . 1 6 6 DT H4' H 1 3.856 0.000 . 1 . . . . . 6 T H4' . 53595 1
44 . 1 . 1 6 6 DT H6 H 1 7.100 0.000 . 1 . . . . . 6 T H6 . 53595 1
45 . 1 . 1 6 6 DT H71 H 1 1.261 0.001 . 2 . . . . . 6 T H71 . 53595 1
46 . 1 . 1 6 6 DT H72 H 1 1.261 0.001 . 2 . . . . . 6 T H72 . 53595 1
47 . 1 . 1 6 6 DT H73 H 1 1.261 0.001 . 2 . . . . . 6 T H73 . 53595 1
48 . 1 . 1 7 7 DG H1 H 1 12.299 0.001 . 1 . . . . . 7 G H1 . 53595 1
49 . 1 . 1 7 7 DG H1' H 1 5.514 0.000 . 1 . . . . . 7 G H1' . 53595 1
50 . 1 . 1 7 7 DG H2' H 1 2.057 0.001 . 1 . . . . . 7 G H2' . 53595 1
51 . 1 . 1 7 7 DG H2'' H 1 2.236 0.001 . 1 . . . . . 7 G H2'' . 53595 1
52 . 1 . 1 7 7 DG H4' H 1 3.971 0.000 . 1 . . . . . 7 G H4' . 53595 1
53 . 1 . 1 7 7 DG H8 H 1 7.424 0.000 . 1 . . . . . 7 G H8 . 53595 1
54 . 1 . 1 8 8 DC H1' H 1 5.503 0.003 . 1 . . . . . 8 C H1' . 53595 1
55 . 1 . 1 8 8 DC H2' H 1 1.401 0.000 . 1 . . . . . 8 C H2' . 53595 1
56 . 1 . 1 8 8 DC H2'' H 1 1.893 0.000 . 1 . . . . . 8 C H2'' . 53595 1
57 . 1 . 1 8 8 DC H4' H 1 3.821 0.001 . 1 . . . . . 8 C H4' . 53595 1
58 . 1 . 1 8 8 DC H5 H 1 4.619 0.000 . 1 . . . . . 8 C H5 . 53595 1
59 . 1 . 1 8 8 DC H6 H 1 6.637 0.001 . 1 . . . . . 8 C H6 . 53595 1
60 . 1 . 1 8 8 DC H41 H 1 8.032 0.001 . 1 . . . . . 8 C H41 . 53595 1
61 . 1 . 1 8 8 DC H42 H 1 6.408 0.001 . 1 . . . . . 8 C H42 . 53595 1
62 . 1 . 1 12 12 DG H1 H 1 12.617 0.000 . 1 . . . . . 12 G H1 . 53595 1
63 . 1 . 1 12 12 DG H1' H 1 5.011 0.003 . 1 . . . . . 12 G H1' . 53595 1
64 . 1 . 1 12 12 DG H2' H 1 2.071 0.001 . 1 . . . . . 12 G H2' . 53595 1
65 . 1 . 1 12 12 DG H2'' H 1 2.277 0.001 . 1 . . . . . 12 G H2'' . 53595 1
66 . 1 . 1 12 12 DG H4' H 1 4.024 0.000 . 1 . . . . . 12 G H4' . 53595 1
67 . 1 . 1 12 12 DG H8 H 1 7.683 0.001 . 1 . . . . . 12 G H8 . 53595 1
68 . 1 . 1 13 13 DC H1' H 1 5.299 0.001 . 1 . . . . . 13 C H1' . 53595 1
69 . 1 . 1 13 13 DC H2' H 1 1.770 0.000 . 1 . . . . . 13 C H2' . 53595 1
70 . 1 . 1 13 13 DC H2'' H 1 2.138 0.001 . 1 . . . . . 13 C H2'' . 53595 1
71 . 1 . 1 13 13 DC H4' H 1 3.906 0.000 . 1 . . . . . 13 C H4' . 53595 1
72 . 1 . 1 13 13 DC H5 H 1 5.032 0.002 . 1 . . . . . 13 C H5 . 53595 1
73 . 1 . 1 13 13 DC H6 H 1 7.067 0.001 . 1 . . . . . 13 C H6 . 53595 1
74 . 1 . 1 13 13 DC H41 H 1 7.903 0.000 . 1 . . . . . 13 C H41 . 53595 1
75 . 1 . 1 13 13 DC H42 H 1 6.065 0.001 . 1 . . . . . 13 C H42 . 53595 1
76 . 1 . 1 14 14 DA H1' H 1 5.684 0.001 . 1 . . . . . 14 A H1' . 53595 1
77 . 1 . 1 14 14 DA H2 H 1 6.890 0.000 . 1 . . . . . 14 A H2 . 53595 1
78 . 1 . 1 14 14 DA H2' H 1 2.417 0.001 . 1 . . . . . 14 A H2' . 53595 1
79 . 1 . 1 14 14 DA H2'' H 1 2.556 0.000 . 1 . . . . . 14 A H2'' . 53595 1
80 . 1 . 1 14 14 DA H4' H 1 4.033 0.001 . 1 . . . . . 14 A H4' . 53595 1
81 . 1 . 1 14 14 DA H8 H 1 7.917 0.000 . 1 . . . . . 14 A H8 . 53595 1
82 . 1 . 1 15 15 DG H1 H 1 10.113 0.001 . 1 . . . . . 15 G H1 . 53595 1
83 . 1 . 1 15 15 DG H1' H 1 5.382 0.000 . 1 . . . . . 15 G H1' . 53595 1
84 . 1 . 1 15 15 DG H2' H 1 2.195 0.000 . 1 . . . . . 15 G H2' . 53595 1
85 . 1 . 1 15 15 DG H2'' H 1 2.403 0.001 . 1 . . . . . 15 G H2'' . 53595 1
86 . 1 . 1 15 15 DG H4' H 1 4.059 0.000 . 1 . . . . . 15 G H4' . 53595 1
87 . 1 . 1 15 15 DG H8 H 1 7.271 0.000 . 1 . . . . . 15 G H8 . 53595 1
88 . 1 . 1 16 16 DA H1' H 1 5.776 0.000 . 1 . . . . . 16 A H1' . 53595 1
89 . 1 . 1 16 16 DA H2 H 1 7.408 0.000 . 1 . . . . . 16 A H2 . 53595 1
90 . 1 . 1 16 16 DA H2' H 1 2.137 0.001 . 1 . . . . . 16 A H2' . 53595 1
91 . 1 . 1 16 16 DA H2'' H 1 2.541 0.000 . 1 . . . . . 16 A H2'' . 53595 1
92 . 1 . 1 16 16 DA H4' H 1 4.071 0.000 . 1 . . . . . 16 A H4' . 53595 1
93 . 1 . 1 16 16 DA H8 H 1 7.682 0.000 . 1 . . . . . 16 A H8 . 53595 1
94 . 1 . 1 17 17 DT H1' H 1 5.393 0.001 . 1 . . . . . 17 T H1' . 53595 1
95 . 1 . 1 17 17 DT H2' H 1 1.596 0.002 . 1 . . . . . 17 T H2' . 53595 1
96 . 1 . 1 17 17 DT H2'' H 1 2.002 0.000 . 1 . . . . . 17 T H2'' . 53595 1
97 . 1 . 1 17 17 DT H3 H 1 13.283 0.001 . 1 . . . . . 17 T H3 . 53595 1
98 . 1 . 1 17 17 DT H4' H 1 3.781 0.000 . 1 . . . . . 17 T H4' . 53595 1
99 . 1 . 1 17 17 DT H6 H 1 6.736 0.000 . 1 . . . . . 17 T H6 . 53595 1
100 . 1 . 1 17 17 DT H71 H 1 0.984 0.000 . 2 . . . . . 17 T H71 . 53595 1
101 . 1 . 1 17 17 DT H72 H 1 0.984 0.000 . 2 . . . . . 17 T H72 . 53595 1
102 . 1 . 1 17 17 DT H73 H 1 0.984 0.000 . 2 . . . . . 17 T H73 . 53595 1
103 . 1 . 1 18 18 DG H1 H 1 12.480 0.001 . 1 . . . . . 18 G H1 . 53595 1
104 . 1 . 1 18 18 DG H1' H 1 5.536 0.001 . 1 . . . . . 18 G H1' . 53595 1
105 . 1 . 1 18 18 DG H2' H 1 2.249 0.000 . 1 . . . . . 18 G H2' . 53595 1
106 . 1 . 1 18 18 DG H2'' H 1 2.342 0.000 . 1 . . . . . 18 G H2'' . 53595 1
107 . 1 . 1 18 18 DG H4' H 1 4.009 0.000 . 1 . . . . . 18 G H4' . 53595 1
108 . 1 . 1 18 18 DG H8 H 1 7.532 0.001 . 1 . . . . . 18 G H8 . 53595 1
109 . 1 . 1 19 19 DC H1' H 1 5.845 0.001 . 1 . . . . . 19 C H1' . 53595 1
110 . 1 . 1 19 19 DC H2' H 1 1.819 0.000 . 1 . . . . . 19 C H2' . 53595 1
111 . 1 . 1 19 19 DC H4' H 1 3.712 0.000 . 1 . . . . . 19 C H4' . 53595 1
112 . 1 . 1 19 19 DC H5 H 1 5.093 0.001 . 1 . . . . . 19 C H5 . 53595 1
113 . 1 . 1 19 19 DC H6 H 1 7.125 0.001 . 1 . . . . . 19 C H6 . 53595 1
114 . 1 . 1 19 19 DC H41 H 1 7.885 0.001 . 1 . . . . . 19 C H41 . 53595 1
115 . 1 . 1 19 19 DC H42 H 1 6.399 0.001 . 1 . . . . . 19 C H42 . 53595 1
stop_
save_