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 53636
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ATC-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' . . . 53636 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 . . 53636 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 12.796 0.001 . 1 . . . . . 1 G H1 . 53636 1
2 . 1 . 1 1 1 DG H1' H 1 5.613 0.001 . 1 . . . . . 1 G H1' . 53636 1
3 . 1 . 1 1 1 DG H2' H 1 2.274 0.000 . 1 . . . . . 1 G H2' . 53636 1
4 . 1 . 1 1 1 DG H2'' H 1 2.422 0.000 . 1 . . . . . 1 G H2'' . 53636 1
5 . 1 . 1 1 1 DG H4' H 1 3.880 0.001 . 1 . . . . . 1 G H4' . 53636 1
6 . 1 . 1 1 1 DG H8 H 1 7.633 0.000 . 1 . . . . . 1 G H8 . 53636 1
7 . 1 . 1 2 2 DC H1' H 1 5.120 0.000 . 1 . . . . . 2 C H1' . 53636 1
8 . 1 . 1 2 2 DC H2' H 1 1.750 0.000 . 1 . . . . . 2 C H2' . 53636 1
9 . 1 . 1 2 2 DC H2'' H 1 2.032 0.001 . 1 . . . . . 2 C H2'' . 53636 1
10 . 1 . 1 2 2 DC H4' H 1 3.810 0.000 . 1 . . . . . 2 C H4' . 53636 1
11 . 1 . 1 2 2 DC H5 H 1 5.089 0.002 . 1 . . . . . 2 C H5 . 53636 1
12 . 1 . 1 2 2 DC H6 H 1 7.111 0.001 . 1 . . . . . 2 C H6 . 53636 1
13 . 1 . 1 2 2 DC H41 H 1 8.207 0.000 . 1 . . . . . 2 C H41 . 53636 1
14 . 1 . 1 2 2 DC H42 H 1 6.216 0.001 . 1 . . . . . 2 C H42 . 53636 1
15 . 1 . 1 3 3 DA H1' H 1 5.641 0.001 . 1 . . . . . 3 A H1' . 53636 1
16 . 1 . 1 3 3 DA H2 H 1 7.028 0.000 . 1 . . . . . 3 A H2 . 53636 1
17 . 1 . 1 3 3 DA H2' H 1 2.417 0.000 . 1 . . . . . 3 A H2' . 53636 1
18 . 1 . 1 3 3 DA H2'' H 1 2.568 0.000 . 1 . . . . . 3 A H2'' . 53636 1
19 . 1 . 1 3 3 DA H4' H 1 4.071 0.000 . 1 . . . . . 3 A H4' . 53636 1
20 . 1 . 1 3 3 DA H8 H 1 7.894 0.000 . 1 . . . . . 3 A H8 . 53636 1
21 . 1 . 1 3 3 DA H61 H 1 7.378 0.000 . 1 . . . . . 3 A H61 . 53636 1
22 . 1 . 1 3 3 DA H62 H 1 5.972 0.000 . 1 . . . . . 3 A H62 . 53636 1
23 . 1 . 1 4 4 DA H1' H 1 5.818 0.002 . 1 . . . . . 4 A H1' . 53636 1
24 . 1 . 1 4 4 DA H2 H 1 7.362 0.000 . 1 . . . . . 4 A H2 . 53636 1
25 . 1 . 1 4 4 DA H2' H 1 2.188 0.001 . 1 . . . . . 4 A H2' . 53636 1
26 . 1 . 1 4 4 DA H2'' H 1 2.468 0.000 . 1 . . . . . 4 A H2'' . 53636 1
27 . 1 . 1 4 4 DA H4' H 1 4.157 0.000 . 1 . . . . . 4 A H4' . 53636 1
28 . 1 . 1 4 4 DA H8 H 1 7.798 0.000 . 1 . . . . . 4 A H8 . 53636 1
29 . 1 . 1 4 4 DA H61 H 1 7.053 0.000 . 1 . . . . . 4 A H61 . 53636 1
30 . 1 . 1 4 4 DA H62 H 1 5.920 0.001 . 1 . . . . . 4 A H62 . 53636 1
31 . 1 . 1 5 5 DT H1' H 1 5.103 0.001 . 1 . . . . . 5 T H1' . 53636 1
32 . 1 . 1 5 5 DT H2' H 1 1.518 0.000 . 1 . . . . . 5 T H2' . 53636 1
33 . 1 . 1 5 5 DT H2'' H 1 1.781 0.002 . 1 . . . . . 5 T H2'' . 53636 1
34 . 1 . 1 5 5 DT H3 H 1 11.095 0.000 . 1 . . . . . 5 T H3 . 53636 1
35 . 1 . 1 5 5 DT H4' H 1 3.604 0.000 . 1 . . . . . 5 T H4' . 53636 1
36 . 1 . 1 5 5 DT H6 H 1 6.663 0.000 . 1 . . . . . 5 T H6 . 53636 1
37 . 1 . 1 5 5 DT H71 H 1 1.287 0.002 . 2 . . . . . 5 T H71 . 53636 1
38 . 1 . 1 5 5 DT H72 H 1 1.287 0.002 . 2 . . . . . 5 T H72 . 53636 1
39 . 1 . 1 5 5 DT H73 H 1 1.287 0.002 . 2 . . . . . 5 T H73 . 53636 1
40 . 1 . 1 6 6 DC H1' H 1 5.194 0.000 . 1 . . . . . 6 C H1' . 53636 1
41 . 1 . 1 6 6 DC H2' H 1 1.911 0.000 . 1 . . . . . 6 C H2' . 53636 1
42 . 1 . 1 6 6 DC H2'' H 1 2.076 0.000 . 1 . . . . . 6 C H2'' . 53636 1
43 . 1 . 1 6 6 DC H4' H 1 3.830 0.000 . 1 . . . . . 6 C H4' . 53636 1
44 . 1 . 1 6 6 DC H5 H 1 5.133 0.003 . 1 . . . . . 6 C H5 . 53636 1
45 . 1 . 1 6 6 DC H6 H 1 7.158 0.000 . 1 . . . . . 6 C H6 . 53636 1
46 . 1 . 1 6 6 DC H41 H 1 8.049 0.000 . 1 . . . . . 6 C H41 . 53636 1
47 . 1 . 1 6 6 DC H42 H 1 6.450 0.002 . 1 . . . . . 6 C H42 . 53636 1
48 . 1 . 1 7 7 DG H1 H 1 12.493 0.000 . 1 . . . . . 7 G H1 . 53636 1
49 . 1 . 1 7 7 DG H1' H 1 5.542 0.000 . 1 . . . . . 7 G H1' . 53636 1
50 . 1 . 1 7 7 DG H2' H 1 2.021 0.000 . 1 . . . . . 7 G H2' . 53636 1
51 . 1 . 1 7 7 DG H2'' H 1 2.245 0.001 . 1 . . . . . 7 G H2'' . 53636 1
52 . 1 . 1 7 7 DG H4' H 1 3.970 0.000 . 1 . . . . . 7 G H4' . 53636 1
53 . 1 . 1 7 7 DG H8 H 1 7.408 0.000 . 1 . . . . . 7 G H8 . 53636 1
54 . 1 . 1 8 8 DC H1' H 1 5.506 0.005 . 1 . . . . . 8 C H1' . 53636 1
55 . 1 . 1 8 8 DC H2' H 1 1.405 0.002 . 1 . . . . . 8 C H2' . 53636 1
56 . 1 . 1 8 8 DC H2'' H 1 1.892 0.000 . 1 . . . . . 8 C H2'' . 53636 1
57 . 1 . 1 8 8 DC H4' H 1 3.822 0.000 . 1 . . . . . 8 C H4' . 53636 1
58 . 1 . 1 8 8 DC H5 H 1 4.622 0.001 . 1 . . . . . 8 C H5 . 53636 1
59 . 1 . 1 8 8 DC H6 H 1 6.614 0.001 . 1 . . . . . 8 C H6 . 53636 1
60 . 1 . 1 8 8 DC H41 H 1 8.046 0.001 . 1 . . . . . 8 C H41 . 53636 1
61 . 1 . 1 8 8 DC H42 H 1 6.410 0.000 . 1 . . . . . 8 C H42 . 53636 1
62 . 1 . 1 9 9 DG H8 H 1 7.744 0.002 . 1 . . . . . 9 G H8 . 53636 1
63 . 1 . 1 11 11 DA H2' H 1 2.503 0.003 . 1 . . . . . 11 A H2' . 53636 1
64 . 1 . 1 11 11 DA H8 H 1 7.727 0.000 . 1 . . . . . 11 A H8 . 53636 1
65 . 1 . 1 12 12 DG H1 H 1 12.652 0.001 . 1 . . . . . 12 G H1 . 53636 1
66 . 1 . 1 12 12 DG H1' H 1 5.051 0.001 . 1 . . . . . 12 G H1' . 53636 1
67 . 1 . 1 12 12 DG H2' H 1 2.087 0.000 . 1 . . . . . 12 G H2' . 53636 1
68 . 1 . 1 12 12 DG H2'' H 1 2.276 0.004 . 1 . . . . . 12 G H2'' . 53636 1
69 . 1 . 1 12 12 DG H4' H 1 4.040 0.000 . 1 . . . . . 12 G H4' . 53636 1
70 . 1 . 1 12 12 DG H8 H 1 7.684 0.000 . 1 . . . . . 12 G H8 . 53636 1
71 . 1 . 1 13 13 DC H1' H 1 5.450 0.001 . 1 . . . . . 13 C H1' . 53636 1
72 . 1 . 1 13 13 DC H2' H 1 1.738 0.000 . 1 . . . . . 13 C H2' . 53636 1
73 . 1 . 1 13 13 DC H2'' H 1 2.145 0.000 . 1 . . . . . 13 C H2'' . 53636 1
74 . 1 . 1 13 13 DC H4' H 1 3.925 0.000 . 1 . . . . . 13 C H4' . 53636 1
75 . 1 . 1 13 13 DC H5 H 1 4.991 0.000 . 1 . . . . . 13 C H5 . 53636 1
76 . 1 . 1 13 13 DC H6 H 1 7.034 0.001 . 1 . . . . . 13 C H6 . 53636 1
77 . 1 . 1 13 13 DC H41 H 1 7.878 0.001 . 1 . . . . . 13 C H41 . 53636 1
78 . 1 . 1 13 13 DC H42 H 1 6.109 0.001 . 1 . . . . . 13 C H42 . 53636 1
79 . 1 . 1 14 14 DG H1 H 1 12.658 0.001 . 1 . . . . . 14 G H1 . 53636 1
80 . 1 . 1 14 14 DG H1' H 1 5.468 0.000 . 1 . . . . . 14 G H1' . 53636 1
81 . 1 . 1 14 14 DG H2' H 1 2.340 0.001 . 1 . . . . . 14 G H2' . 53636 1
82 . 1 . 1 14 14 DG H2'' H 1 2.435 0.000 . 1 . . . . . 14 G H2'' . 53636 1
83 . 1 . 1 14 14 DG H4' H 1 4.012 0.000 . 1 . . . . . 14 G H4' . 53636 1
84 . 1 . 1 14 14 DG H8 H 1 7.555 0.000 . 1 . . . . . 14 G H8 . 53636 1
85 . 1 . 1 15 15 DG H1 H 1 10.058 0.001 . 1 . . . . . 15 G H1 . 53636 1
86 . 1 . 1 15 15 DG H1' H 1 5.631 0.001 . 1 . . . . . 15 G H1' . 53636 1
87 . 1 . 1 15 15 DG H2' H 1 2.181 0.001 . 1 . . . . . 15 G H2' . 53636 1
88 . 1 . 1 15 15 DG H2'' H 1 2.401 0.001 . 1 . . . . . 15 G H2'' . 53636 1
89 . 1 . 1 15 15 DG H4' H 1 4.072 0.000 . 1 . . . . . 15 G H4' . 53636 1
90 . 1 . 1 15 15 DG H8 H 1 7.324 0.000 . 1 . . . . . 15 G H8 . 53636 1
91 . 1 . 1 15 15 DG H21 H 1 5.580 0.001 . 1 . . . . . 15 G H21 . 53636 1
92 . 1 . 1 15 15 DG H22 H 1 5.580 0.001 . 1 . . . . . 15 G H22 . 53636 1
93 . 1 . 1 16 16 DT H1' H 1 5.572 0.002 . 1 . . . . . 16 T H1' . 53636 1
94 . 1 . 1 16 16 DT H2' H 1 1.609 0.000 . 1 . . . . . 16 T H2' . 53636 1
95 . 1 . 1 16 16 DT H2'' H 1 2.174 0.001 . 1 . . . . . 16 T H2'' . 53636 1
96 . 1 . 1 16 16 DT H3 H 1 13.612 0.001 . 1 . . . . . 16 T H3 . 53636 1
97 . 1 . 1 16 16 DT H4' H 1 3.815 0.000 . 1 . . . . . 16 T H4' . 53636 1
98 . 1 . 1 16 16 DT H6 H 1 6.844 0.001 . 1 . . . . . 16 T H6 . 53636 1
99 . 1 . 1 16 16 DT H71 H 1 1.017 0.000 . 2 . . . . . 16 T H71 . 53636 1
100 . 1 . 1 16 16 DT H72 H 1 1.017 0.000 . 2 . . . . . 16 T H72 . 53636 1
101 . 1 . 1 16 16 DT H73 H 1 1.017 0.000 . 2 . . . . . 16 T H73 . 53636 1
102 . 1 . 1 17 17 DT H1' H 1 5.491 0.001 . 1 . . . . . 17 T H1' . 53636 1
103 . 1 . 1 17 17 DT H2' H 1 1.774 0.001 . 1 . . . . . 17 T H2' . 53636 1
104 . 1 . 1 17 17 DT H2'' H 1 2.111 0.001 . 1 . . . . . 17 T H2'' . 53636 1
105 . 1 . 1 17 17 DT H3 H 1 13.654 0.000 . 1 . . . . . 17 T H3 . 53636 1
106 . 1 . 1 17 17 DT H4' H 1 3.791 0.000 . 1 . . . . . 17 T H4' . 53636 1
107 . 1 . 1 17 17 DT H6 H 1 7.032 0.001 . 1 . . . . . 17 T H6 . 53636 1
108 . 1 . 1 17 17 DT H71 H 1 1.297 0.002 . 2 . . . . . 17 T H71 . 53636 1
109 . 1 . 1 17 17 DT H72 H 1 1.297 0.002 . 2 . . . . . 17 T H72 . 53636 1
110 . 1 . 1 17 17 DT H73 H 1 1.297 0.002 . 2 . . . . . 17 T H73 . 53636 1
111 . 1 . 1 18 18 DG H1 H 1 12.569 0.001 . 1 . . . . . 18 G H1 . 53636 1
112 . 1 . 1 18 18 DG H1' H 1 5.579 0.000 . 1 . . . . . 18 G H1' . 53636 1
113 . 1 . 1 18 18 DG H2' H 1 2.297 0.000 . 1 . . . . . 18 G H2' . 53636 1
114 . 1 . 1 18 18 DG H2'' H 1 2.385 0.001 . 1 . . . . . 18 G H2'' . 53636 1
115 . 1 . 1 18 18 DG H4' H 1 4.041 0.000 . 1 . . . . . 18 G H4' . 53636 1
116 . 1 . 1 18 18 DG H8 H 1 7.605 0.000 . 1 . . . . . 18 G H8 . 53636 1
117 . 1 . 1 19 19 DC H1' H 1 5.850 0.000 . 1 . . . . . 19 C H1' . 53636 1
118 . 1 . 1 19 19 DC H2' H 1 1.826 0.000 . 1 . . . . . 19 C H2' . 53636 1
119 . 1 . 1 19 19 DC H4' H 1 3.717 0.000 . 1 . . . . . 19 C H4' . 53636 1
120 . 1 . 1 19 19 DC H5 H 1 5.125 0.000 . 1 . . . . . 19 C H5 . 53636 1
121 . 1 . 1 19 19 DC H6 H 1 7.141 0.001 . 1 . . . . . 19 C H6 . 53636 1
122 . 1 . 1 19 19 DC H41 H 1 7.940 0.001 . 1 . . . . . 19 C H41 . 53636 1
123 . 1 . 1 19 19 DC H42 H 1 6.444 0.001 . 1 . . . . . 19 C H42 . 53636 1
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