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 52791
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name t44-27-aptamer_CS
_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 0.023
_Assigned_chem_shift_list.Chem_shift_13C_err 0.20
_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 0.05
_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' . . . 52791 1
2 '2D 1H-1H TOCSY' . . . 52791 1
3 '2D 1H-19F HOESY' . . . 52791 1
4 '2D 19F-1H HSQC' . . . 52791 1
5 '2D 1H-19F HSQC' . . . 52791 1
6 '2D DQF-COSY' . . . 52791 1
7 '2D 1H-13C HSQC' . . . 52791 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
1 $software_1 . . 52791 1
2 $software_2 . . 52791 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 CFZ H1' H 1 5.7255 0.023 . 1 . . . . . 1 CFZ H1' . 52791 1
2 . 1 . 1 1 1 CFZ H2' H 1 5.4205 0.023 . 1 . . . . . 1 CFZ H2' . 52791 1
3 . 1 . 1 1 1 CFZ H3' H 1 4.5375 0.023 . 1 . . . . . 1 CFZ H3' . 52791 1
4 . 1 . 1 1 1 CFZ H4' H 1 4.322 0.023 . 1 . . . . . 1 CFZ H4' . 52791 1
5 . 1 . 1 1 1 CFZ H5 H 1 5.9 0.023 . 1 . . . . . 1 CFZ H5 . 52791 1
6 . 1 . 1 1 1 CFZ H5' H 1 3.869 0.023 . 2 . . . . . 1 CFZ H5' . 52791 1
7 . 1 . 1 1 1 CFZ H5'A H 1 4.027 0.023 . 2 . . . . . 1 CFZ H5'A . 52791 1
8 . 1 . 1 1 1 CFZ H6 H 1 7.969 0.023 . 1 . . . . . 1 CFZ H6 . 52791 1
9 . 1 . 1 1 1 CFZ C2' C 13 91.76 0.20 . 1 . . . . . 1 CFZ C2' . 52791 1
10 . 1 . 1 1 1 CFZ C5 C 13 96.18 0.20 . 1 . . . . . 1 CFZ C5 . 52791 1
11 . 1 . 1 1 1 CFZ C5' C 13 58.69 0.20 . 1 . . . . . 1 CFZ C5' . 52791 1
12 . 1 . 1 1 1 CFZ F2' F 19 -201.6 0.05 . 1 . . . . . 1 CFZ F2' . 52791 1
13 . 1 . 1 2 2 OMG H1' H 1 5.895 0.023 . 1 . . . . . 2 OMG H1' . 52791 1
14 . 1 . 1 2 2 OMG H3' H 1 4.626 0.023 . 1 . . . . . 2 OMG H3' . 52791 1
15 . 1 . 1 2 2 OMG H4' H 1 4.449 0.023 . 1 . . . . . 2 OMG H4' . 52791 1
16 . 1 . 1 2 2 OMG H8 H 1 7.658 0.023 . 1 . . . . . 2 OMG H8 . 52791 1
17 . 1 . 1 2 2 OMG HM21 H 1 3.769 0.023 . 1 . . . . . 2 OMG HM21 . 52791 1
18 . 1 . 1 2 2 OMG HM22 H 1 3.769 0.023 . 1 . . . . . 2 OMG HM22 . 52791 1
19 . 1 . 1 2 2 OMG HM23 H 1 3.769 0.023 . 1 . . . . . 2 OMG HM23 . 52791 1
20 . 1 . 1 2 2 OMG C8 C 13 133.7 0.20 . 1 . . . . . 2 OMG C8 . 52791 1
21 . 1 . 1 3 3 OMG H8 H 1 7.223 0.023 . 1 . . . . . 3 OMG H8 . 52791 1
22 . 1 . 1 3 3 OMG C8 C 13 133.7 0.20 . 1 . . . . . 3 OMG C8 . 52791 1
23 . 1 . 1 4 4 A H8 H 1 7.816 0.023 . 1 . . . . . 4 A H8 . 52791 1
24 . 1 . 1 4 4 A C8 C 13 137.2 0.20 . 1 . . . . . 4 A C8 . 52791 1
25 . 1 . 1 5 5 A H8 H 1 8.046 0.023 . 1 . . . . . 5 A H8 . 52791 1
26 . 1 . 1 5 5 A C8 C 13 137.7 0.20 . 1 . . . . . 5 A C8 . 52791 1
27 . 1 . 1 6 6 UFT H1' H 1 5.771 0.023 . 1 . . . . . 6 UFT H1' . 52791 1
28 . 1 . 1 6 6 UFT H2' H 1 5.182 0.023 . 1 . . . . . 6 UFT H2' . 52791 1
29 . 1 . 1 6 6 UFT H3' H 1 4.623 0.023 . 1 . . . . . 6 UFT H3' . 52791 1
30 . 1 . 1 6 6 UFT H4' H 1 4.326 0.023 . 1 . . . . . 6 UFT H4' . 52791 1
31 . 1 . 1 6 6 UFT H5 H 1 5.508 0.023 . 1 . . . . . 6 UFT H5 . 52791 1
32 . 1 . 1 6 6 UFT H5' H 1 3.873 0.023 . 2 . . . . . 6 UFT H5' . 52791 1
33 . 1 . 1 6 6 UFT H5'A H 1 4.031 0.023 . 2 . . . . . 6 UFT H5'A . 52791 1
34 . 1 . 1 6 6 UFT H6 H 1 7.593 0.023 . 1 . . . . . 6 UFT H6 . 52791 1
35 . 1 . 1 6 6 UFT C1' C 13 88.95 0.20 . 1 . . . . . 6 UFT C1' . 52791 1
36 . 1 . 1 6 6 UFT C2' C 13 91.885 0.20 . 1 . . . . . 6 UFT C2' . 52791 1
37 . 1 . 1 6 6 UFT C3' C 13 70.19 0.20 . 1 . . . . . 6 UFT C3' . 52791 1
38 . 1 . 1 6 6 UFT C4' C 13 81.14 0.20 . 1 . . . . . 6 UFT C4' . 52791 1
39 . 1 . 1 6 6 UFT C5 C 13 101.3 0.20 . 1 . . . . . 6 UFT C5 . 52791 1
40 . 1 . 1 6 6 UFT C5' C 13 58.93 0.20 . 1 . . . . . 6 UFT C5' . 52791 1
41 . 1 . 1 6 6 UFT C6 C 13 138.6 0.20 . 1 . . . . . 6 UFT C6 . 52791 1
42 . 1 . 1 6 6 UFT F2' F 19 -200.6 0.05 . 1 . . . . . 6 UFT F2' . 52791 1
43 . 1 . 1 7 7 CFZ H1' H 1 5.809 0.023 . 1 . . . . . 7 CFZ H1' . 52791 1
44 . 1 . 1 7 7 CFZ H2' H 1 5.0765 0.023 . 1 . . . . . 7 CFZ H2' . 52791 1
45 . 1 . 1 7 7 CFZ H4' H 1 4.31 0.023 . 1 . . . . . 7 CFZ H4' . 52791 1
46 . 1 . 1 7 7 CFZ H5 H 1 5.598 0.023 . 1 . . . . . 7 CFZ H5 . 52791 1
47 . 1 . 1 7 7 CFZ H5' H 1 4.114 0.023 . 2 . . . . . 7 CFZ H5' . 52791 1
48 . 1 . 1 7 7 CFZ H5'A H 1 4.309 0.023 . 2 . . . . . 7 CFZ H5'A . 52791 1
49 . 1 . 1 7 7 CFZ H6 H 1 7.518 0.023 . 1 . . . . . 7 CFZ H6 . 52791 1
50 . 1 . 1 7 7 CFZ C1' C 13 89.215 0.20 . 1 . . . . . 7 CFZ C1' . 52791 1
51 . 1 . 1 7 7 CFZ C2' C 13 91.905 0.20 . 1 . . . . . 7 CFZ C2' . 52791 1
52 . 1 . 1 7 7 CFZ C4' C 13 81.96 0.20 . 1 . . . . . 7 CFZ C4' . 52791 1
53 . 1 . 1 7 7 CFZ C5 C 13 95.7 0.20 . 1 . . . . . 7 CFZ C5 . 52791 1
54 . 1 . 1 7 7 CFZ C5' C 13 62.95 0.20 . 1 . . . . . 7 CFZ C5' . 52791 1
55 . 1 . 1 7 7 CFZ C6 C 13 140.3 0.20 . 1 . . . . . 7 CFZ C6 . 52791 1
56 . 1 . 1 8 8 A39 H1' H 1 6.144 0.023 . 1 . . . . . 8 A39 H1' . 52791 1
57 . 1 . 1 8 8 A39 H2' H 1 4.453 0.023 . 1 . . . . . 8 A39 H2' . 52791 1
58 . 1 . 1 8 8 A39 H5'1 H 1 4.156 0.023 . 2 . . . . . 8 A39 H5'1 . 52791 1
59 . 1 . 1 8 8 A39 H5'2 H 1 4.206 0.023 . 2 . . . . . 8 A39 H5'2 . 52791 1
60 . 1 . 1 8 8 A39 H8 H 1 8.252 0.023 . 1 . . . . . 8 A39 H8 . 52791 1
61 . 1 . 1 8 8 A39 HH31 H 1 3.646 0.023 . 1 . . . . . 8 A39 HH31 . 52791 1
62 . 1 . 1 8 8 A39 HH32 H 1 3.646 0.023 . 1 . . . . . 8 A39 HH32 . 52791 1
63 . 1 . 1 8 8 A39 HH33 H 1 3.646 0.023 . 1 . . . . . 8 A39 HH33 . 52791 1
64 . 1 . 1 8 8 A39 C1' C 13 85.77 0.20 . 1 . . . . . 8 A39 C1' . 52791 1
65 . 1 . 1 8 8 A39 C2' C 13 81.11 0.20 . 1 . . . . . 8 A39 C2' . 52791 1
66 . 1 . 1 8 8 A39 C5' C 13 64.25 0.20 . 1 . . . . . 8 A39 C5' . 52791 1
67 . 1 . 1 8 8 A39 C8 C 13 138.3 0.20 . 1 . . . . . 8 A39 C8 . 52791 1
68 . 1 . 1 8 8 A39 CH3 C 13 57.98 0.20 . 1 . . . . . 8 A39 CH3 . 52791 1
69 . 1 . 1 9 9 OMG H3' H 1 4.345 0.023 . 1 . . . . . 9 OMG H3' . 52791 1
70 . 1 . 1 9 9 OMG H5' H 1 4.09 0.023 . 1 . . . . . 9 OMG H5' . 52791 1
71 . 1 . 1 9 9 OMG H5'' H 1 4.09 0.023 . 1 . . . . . 9 OMG H5'' . 52791 1
72 . 1 . 1 9 9 OMG H8 H 1 7.428 0.023 . 1 . . . . . 9 OMG H8 . 52791 1
73 . 1 . 1 9 9 OMG HM21 H 1 3.665 0.023 . 1 . . . . . 9 OMG HM21 . 52791 1
74 . 1 . 1 9 9 OMG HM22 H 1 3.665 0.023 . 1 . . . . . 9 OMG HM22 . 52791 1
75 . 1 . 1 9 9 OMG HM23 H 1 3.665 0.023 . 1 . . . . . 9 OMG HM23 . 52791 1
76 . 1 . 1 9 9 OMG C3' C 13 69.13 0.20 . 1 . . . . . 9 OMG C3' . 52791 1
77 . 1 . 1 9 9 OMG C5' C 13 64.93 0.20 . 1 . . . . . 9 OMG C5' . 52791 1
78 . 1 . 1 9 9 OMG C8 C 13 133.5 0.20 . 1 . . . . . 9 OMG C8 . 52791 1
79 . 1 . 1 9 9 OMG CM2 C 13 57.2 0.20 . 1 . . . . . 9 OMG CM2 . 52791 1
80 . 1 . 1 10 10 UFT H1' H 1 5.684 0.023 . 1 . . . . . 10 UFT H1' . 52791 1
81 . 1 . 1 10 10 UFT H2' H 1 4.6395 0.023 . 1 . . . . . 10 UFT H2' . 52791 1
82 . 1 . 1 10 10 UFT H3' H 1 4.624 0.023 . 1 . . . . . 10 UFT H3' . 52791 1
83 . 1 . 1 10 10 UFT H4' H 1 4.248 0.023 . 1 . . . . . 10 UFT H4' . 52791 1
84 . 1 . 1 10 10 UFT H5 H 1 5.202 0.023 . 1 . . . . . 10 UFT H5 . 52791 1
85 . 1 . 1 10 10 UFT H6 H 1 7.199 0.023 . 1 . . . . . 10 UFT H6 . 52791 1
86 . 1 . 1 10 10 UFT C1' C 13 88.81 0.20 . 1 . . . . . 10 UFT C1' . 52791 1
87 . 1 . 1 10 10 UFT C2' C 13 92.015 0.20 . 1 . . . . . 10 UFT C2' . 52791 1
88 . 1 . 1 10 10 UFT C3' C 13 70.89 0.20 . 1 . . . . . 10 UFT C3' . 52791 1
89 . 1 . 1 10 10 UFT C4' C 13 80.28 0.20 . 1 . . . . . 10 UFT C4' . 52791 1
90 . 1 . 1 10 10 UFT C5 C 13 102.3 0.20 . 1 . . . . . 10 UFT C5 . 52791 1
91 . 1 . 1 10 10 UFT C6 C 13 136.1 0.20 . 1 . . . . . 10 UFT C6 . 52791 1
92 . 1 . 1 10 10 UFT F2' F 19 -197.3 0.05 . 1 . . . . . 10 UFT F2' . 52791 1
93 . 1 . 1 11 11 OMG H2' H 1 4.486 0.023 . 1 . . . . . 11 OMG H2' . 52791 1
94 . 1 . 1 11 11 OMG H3' H 1 4.328 0.023 . 1 . . . . . 11 OMG H3' . 52791 1
95 . 1 . 1 11 11 OMG H5' H 1 4.096 0.023 . 2 . . . . . 11 OMG H5' . 52791 1
96 . 1 . 1 11 11 OMG H5'' H 1 4.268 0.023 . 2 . . . . . 11 OMG H5'' . 52791 1
97 . 1 . 1 11 11 OMG H8 H 1 7.071 0.023 . 1 . . . . . 11 OMG H8 . 52791 1
98 . 1 . 1 11 11 OMG HM21 H 1 3.647 0.023 . 1 . . . . . 11 OMG HM21 . 52791 1
99 . 1 . 1 11 11 OMG HM22 H 1 3.647 0.023 . 1 . . . . . 11 OMG HM22 . 52791 1
100 . 1 . 1 11 11 OMG HM23 H 1 3.647 0.023 . 1 . . . . . 11 OMG HM23 . 52791 1
101 . 1 . 1 11 11 OMG C2' C 13 80.56 0.20 . 1 . . . . . 11 OMG C2' . 52791 1
102 . 1 . 1 11 11 OMG C3' C 13 70.34 0.20 . 1 . . . . . 11 OMG C3' . 52791 1
103 . 1 . 1 11 11 OMG C5' C 13 64.14 0.20 . 1 . . . . . 11 OMG C5' . 52791 1
104 . 1 . 1 11 11 OMG C8 C 13 133.3 0.20 . 1 . . . . . 11 OMG C8 . 52791 1
105 . 1 . 1 11 11 OMG CM2 C 13 58.78 0.20 . 1 . . . . . 11 OMG CM2 . 52791 1
106 . 1 . 1 12 12 A39 H1' H 1 5.499 0.023 . 1 . . . . . 12 A39 H1' . 52791 1
107 . 1 . 1 12 12 A39 H5'1 H 1 4.026 0.023 . 1 . . . . . 12 A39 H5'1 . 52791 1
108 . 1 . 1 12 12 A39 H5'2 H 1 4.026 0.023 . 1 . . . . . 12 A39 H5'2 . 52791 1
109 . 1 . 1 12 12 A39 H8 H 1 7.983 0.023 . 1 . . . . . 12 A39 H8 . 52791 1
110 . 1 . 1 12 12 A39 HH31 H 1 3.368 0.023 . 1 . . . . . 12 A39 HH31 . 52791 1
111 . 1 . 1 12 12 A39 HH32 H 1 3.368 0.023 . 1 . . . . . 12 A39 HH32 . 52791 1
112 . 1 . 1 12 12 A39 HH33 H 1 3.368 0.023 . 1 . . . . . 12 A39 HH33 . 52791 1
113 . 1 . 1 12 12 A39 C1' C 13 82.31 0.20 . 1 . . . . . 12 A39 C1' . 52791 1
114 . 1 . 1 12 12 A39 C3' C 13 73.22 0.20 . 1 . . . . . 12 A39 C3' . 52791 1
115 . 1 . 1 12 12 A39 C5' C 13 64.3 0.20 . 1 . . . . . 12 A39 C5' . 52791 1
116 . 1 . 1 12 12 A39 C8 C 13 136 0.20 . 1 . . . . . 12 A39 C8 . 52791 1
117 . 1 . 1 12 12 A39 CH3 C 13 57.64 0.20 . 1 . . . . . 12 A39 CH3 . 52791 1
118 . 1 . 1 13 13 A39 H1' H 1 5.74 0.023 . 1 . . . . . 13 A39 H1' . 52791 1
119 . 1 . 1 13 13 A39 H2' H 1 5.447 0.023 . 1 . . . . . 13 A39 H2' . 52791 1
120 . 1 . 1 13 13 A39 H8 H 1 8.138 0.023 . 1 . . . . . 13 A39 H8 . 52791 1
121 . 1 . 1 13 13 A39 HH31 H 1 3.083 0.023 . 1 . . . . . 13 A39 HH31 . 52791 1
122 . 1 . 1 13 13 A39 HH32 H 1 3.083 0.023 . 1 . . . . . 13 A39 HH32 . 52791 1
123 . 1 . 1 13 13 A39 HH33 H 1 3.083 0.023 . 1 . . . . . 13 A39 HH33 . 52791 1
124 . 1 . 1 13 13 A39 C1' C 13 85.94 0.20 . 1 . . . . . 13 A39 C1' . 52791 1
125 . 1 . 1 13 13 A39 C2' C 13 83.48 0.20 . 1 . . . . . 13 A39 C2' . 52791 1
126 . 1 . 1 13 13 A39 C3' C 13 72.75 0.20 . 1 . . . . . 13 A39 C3' . 52791 1
127 . 1 . 1 13 13 A39 C8 C 13 139.3 0.20 . 1 . . . . . 13 A39 C8 . 52791 1
128 . 1 . 1 13 13 A39 CH3 C 13 57.3 0.20 . 1 . . . . . 13 A39 CH3 . 52791 1
129 . 1 . 1 14 14 UFT H1' H 1 6.0535 0.023 . 1 . . . . . 14 UFT H1' . 52791 1
130 . 1 . 1 14 14 UFT H2' H 1 5.3885 0.023 . 1 . . . . . 14 UFT H2' . 52791 1
131 . 1 . 1 14 14 UFT H3' H 1 4.765 0.023 . 1 . . . . . 14 UFT H3' . 52791 1
132 . 1 . 1 14 14 UFT H4' H 1 4.517 0.023 . 1 . . . . . 14 UFT H4' . 52791 1
133 . 1 . 1 14 14 UFT H5 H 1 5.879 0.023 . 1 . . . . . 14 UFT H5 . 52791 1
134 . 1 . 1 14 14 UFT H5' H 1 4.265 0.023 . 2 . . . . . 14 UFT H5' . 52791 1
135 . 1 . 1 14 14 UFT H5'A H 1 4.521 0.023 . 2 . . . . . 14 UFT H5'A . 52791 1
136 . 1 . 1 14 14 UFT H6 H 1 7.814 0.023 . 1 . . . . . 14 UFT H6 . 52791 1
137 . 1 . 1 14 14 UFT C1' C 13 90.03 0.20 . 1 . . . . . 14 UFT C1' . 52791 1
138 . 1 . 1 14 14 UFT C2' C 13 91.585 0.20 . 1 . . . . . 14 UFT C2' . 52791 1
139 . 1 . 1 14 14 UFT C3' C 13 72.17 0.20 . 1 . . . . . 14 UFT C3' . 52791 1
140 . 1 . 1 14 14 UFT C4' C 13 80.62 0.20 . 1 . . . . . 14 UFT C4' . 52791 1
141 . 1 . 1 14 14 UFT C5 C 13 102.3 0.20 . 1 . . . . . 14 UFT C5 . 52791 1
142 . 1 . 1 14 14 UFT C5' C 13 65.3 0.20 . 1 . . . . . 14 UFT C5' . 52791 1
143 . 1 . 1 14 14 UFT C6 C 13 142.8 0.20 . 1 . . . . . 14 UFT C6 . 52791 1
144 . 1 . 1 14 14 UFT F2' F 19 -199.6 0.05 . 1 . . . . . 14 UFT F2' . 52791 1
145 . 1 . 1 15 15 OMG H3' H 1 4.258 0.023 . 1 . . . . . 15 OMG H3' . 52791 1
146 . 1 . 1 15 15 OMG H8 H 1 7.752 0.023 . 1 . . . . . 15 OMG H8 . 52791 1
147 . 1 . 1 15 15 OMG HM21 H 1 3.543 0.023 . 1 . . . . . 15 OMG HM21 . 52791 1
148 . 1 . 1 15 15 OMG HM22 H 1 3.543 0.023 . 1 . . . . . 15 OMG HM22 . 52791 1
149 . 1 . 1 15 15 OMG HM23 H 1 3.543 0.023 . 1 . . . . . 15 OMG HM23 . 52791 1
150 . 1 . 1 15 15 OMG C3' C 13 70.43 0.20 . 1 . . . . . 15 OMG C3' . 52791 1
151 . 1 . 1 15 15 OMG C8 C 13 135.2 0.20 . 1 . . . . . 15 OMG C8 . 52791 1
152 . 1 . 1 15 15 OMG CM2 C 13 56.95 0.20 . 1 . . . . . 15 OMG CM2 . 52791 1
153 . 1 . 1 16 16 CFZ H1' H 1 5.744 0.023 . 1 . . . . . 16 CFZ H1' . 52791 1
154 . 1 . 1 16 16 CFZ H2' H 1 5.014 0.023 . 1 . . . . . 16 CFZ H2' . 52791 1
155 . 1 . 1 16 16 CFZ H3' H 1 4.38 0.023 . 1 . . . . . 16 CFZ H3' . 52791 1
156 . 1 . 1 16 16 CFZ H5 H 1 5.281 0.023 . 1 . . . . . 16 CFZ H5 . 52791 1
157 . 1 . 1 16 16 CFZ H5' H 1 4.021 0.023 . 2 . . . . . 16 CFZ H5' . 52791 1
158 . 1 . 1 16 16 CFZ H5'A H 1 4.234 0.023 . 2 . . . . . 16 CFZ H5'A . 52791 1
159 . 1 . 1 16 16 CFZ H6 H 1 7.499 0.023 . 1 . . . . . 16 CFZ H6 . 52791 1
160 . 1 . 1 16 16 CFZ C1' C 13 88.44 0.20 . 1 . . . . . 16 CFZ C1' . 52791 1
161 . 1 . 1 16 16 CFZ C2' C 13 91.75 0.20 . 1 . . . . . 16 CFZ C2' . 52791 1
162 . 1 . 1 16 16 CFZ C3' C 13 68.78 0.20 . 1 . . . . . 16 CFZ C3' . 52791 1
163 . 1 . 1 16 16 CFZ C5 C 13 95.05 0.20 . 1 . . . . . 16 CFZ C5 . 52791 1
164 . 1 . 1 16 16 CFZ C5' C 13 61.15 0.20 . 1 . . . . . 16 CFZ C5' . 52791 1
165 . 1 . 1 16 16 CFZ C6 C 13 138 0.20 . 1 . . . . . 16 CFZ C6 . 52791 1
166 . 1 . 1 16 16 CFZ F2' F 19 -200.3 0.05 . 1 . . . . . 16 CFZ F2' . 52791 1
167 . 1 . 1 17 17 UFT H1' H 1 5.7865 0.023 . 1 . . . . . 17 UFT H1' . 52791 1
168 . 1 . 1 17 17 UFT H2' H 1 5.0425 0.023 . 1 . . . . . 17 UFT H2' . 52791 1
169 . 1 . 1 17 17 UFT H3' H 1 4.55 0.023 . 1 . . . . . 17 UFT H3' . 52791 1
170 . 1 . 1 17 17 UFT H5 H 1 5.497 0.023 . 1 . . . . . 17 UFT H5 . 52791 1
171 . 1 . 1 17 17 UFT H5' H 1 4.063 0.023 . 2 . . . . . 17 UFT H5' . 52791 1
172 . 1 . 1 17 17 UFT H5'A H 1 4.364 0.023 . 2 . . . . . 17 UFT H5'A . 52791 1
173 . 1 . 1 17 17 UFT H6 H 1 7.52 0.023 . 1 . . . . . 17 UFT H6 . 52791 1
174 . 1 . 1 17 17 UFT C1' C 13 88.015 0.20 . 1 . . . . . 17 UFT C1' . 52791 1
175 . 1 . 1 17 17 UFT C2' C 13 91.725 0.20 . 1 . . . . . 17 UFT C2' . 52791 1
176 . 1 . 1 17 17 UFT C3' C 13 69.315 0.20 . 1 . . . . . 17 UFT C3' . 52791 1
177 . 1 . 1 17 17 UFT C5 C 13 101.7 0.20 . 1 . . . . . 17 UFT C5 . 52791 1
178 . 1 . 1 17 17 UFT C5' C 13 61.35 0.20 . 1 . . . . . 17 UFT C5' . 52791 1
179 . 1 . 1 17 17 UFT C6 C 13 137.3 0.20 . 1 . . . . . 17 UFT C6 . 52791 1
180 . 1 . 1 17 17 UFT F2' F 19 -199.6 0.05 . 1 . . . . . 17 UFT F2' . 52791 1
181 . 1 . 1 18 18 UFT H1' H 1 5.7155 0.023 . 1 . . . . . 18 UFT H1' . 52791 1
182 . 1 . 1 18 18 UFT H2' H 1 4.964 0.023 . 1 . . . . . 18 UFT H2' . 52791 1
183 . 1 . 1 18 18 UFT H3' H 1 4.597 0.023 . 1 . . . . . 18 UFT H3' . 52791 1
184 . 1 . 1 18 18 UFT H4' H 1 4.229 0.023 . 1 . . . . . 18 UFT H4' . 52791 1
185 . 1 . 1 18 18 UFT H5 H 1 5.239 0.023 . 1 . . . . . 18 UFT H5 . 52791 1
186 . 1 . 1 18 18 UFT H5' H 1 4.013 0.023 . 2 . . . . . 18 UFT H5' . 52791 1
187 . 1 . 1 18 18 UFT H5'A H 1 4.097 0.023 . 2 . . . . . 18 UFT H5'A . 52791 1
188 . 1 . 1 18 18 UFT H6 H 1 7.356 0.023 . 1 . . . . . 18 UFT H6 . 52791 1
189 . 1 . 1 18 18 UFT C1' C 13 87.92 0.20 . 1 . . . . . 18 UFT C1' . 52791 1
190 . 1 . 1 18 18 UFT C2' C 13 92.27 0.20 . 1 . . . . . 18 UFT C2' . 52791 1
191 . 1 . 1 18 18 UFT C3' C 13 70.255 0.20 . 1 . . . . . 18 UFT C3' . 52791 1
192 . 1 . 1 18 18 UFT C4' C 13 81.09 0.20 . 1 . . . . . 18 UFT C4' . 52791 1
193 . 1 . 1 18 18 UFT C5 C 13 101.9 0.20 . 1 . . . . . 18 UFT C5 . 52791 1
194 . 1 . 1 18 18 UFT C5' C 13 62.8 0.20 . 1 . . . . . 18 UFT C5' . 52791 1
195 . 1 . 1 18 18 UFT C6 C 13 139.2 0.20 . 1 . . . . . 18 UFT C6 . 52791 1
196 . 1 . 1 18 18 UFT F2' F 19 -200 0.05 . 1 . . . . . 18 UFT F2' . 52791 1
197 . 1 . 1 19 19 A39 H1' H 1 6.017 0.023 . 1 . . . . . 19 A39 H1' . 52791 1
198 . 1 . 1 19 19 A39 H2' H 1 4.334 0.023 . 1 . . . . . 19 A39 H2' . 52791 1
199 . 1 . 1 19 19 A39 H4' H 1 4.394 0.023 . 1 . . . . . 19 A39 H4' . 52791 1
200 . 1 . 1 19 19 A39 H8 H 1 8.115 0.023 . 1 . . . . . 19 A39 H8 . 52791 1
201 . 1 . 1 19 19 A39 HH31 H 1 3.399 0.023 . 1 . . . . . 19 A39 HH31 . 52791 1
202 . 1 . 1 19 19 A39 HH32 H 1 3.399 0.023 . 1 . . . . . 19 A39 HH32 . 52791 1
203 . 1 . 1 19 19 A39 HH33 H 1 3.399 0.023 . 1 . . . . . 19 A39 HH33 . 52791 1
204 . 1 . 1 19 19 A39 C1' C 13 85.5 0.20 . 1 . . . . . 19 A39 C1' . 52791 1
205 . 1 . 1 19 19 A39 C2' C 13 80.39 0.20 . 1 . . . . . 19 A39 C2' . 52791 1
206 . 1 . 1 19 19 A39 C3' C 13 72.2 0.20 . 1 . . . . . 19 A39 C3' . 52791 1
207 . 1 . 1 19 19 A39 C4' C 13 81.02 0.20 . 1 . . . . . 19 A39 C4' . 52791 1
208 . 1 . 1 19 19 A39 C8 C 13 138.5 0.20 . 1 . . . . . 19 A39 C8 . 52791 1
209 . 1 . 1 19 19 A39 CH3 C 13 57.92 0.20 . 1 . . . . . 19 A39 CH3 . 52791 1
210 . 1 . 1 20 20 UFT H5 H 1 5.503 0.023 . 1 . . . . . 20 UFT H5 . 52791 1
211 . 1 . 1 20 20 UFT H6 H 1 7.699 0.023 . 1 . . . . . 20 UFT H6 . 52791 1
212 . 1 . 1 20 20 UFT C6 C 13 139 0.20 . 1 . . . . . 20 UFT C6 . 52791 1
213 . 1 . 1 20 20 UFT F2' F 19 -200.5 0.05 . 1 . . . . . 20 UFT F2' . 52791 1
214 . 1 . 1 21 21 A39 H8 H 1 8.019 0.023 . 1 . . . . . 21 A39 H8 . 52791 1
215 . 1 . 1 21 21 A39 C8 C 13 137.5 0.20 . 1 . . . . . 21 A39 C8 . 52791 1
216 . 1 . 1 22 22 CFZ H5 H 1 5.123 0.023 . 1 . . . . . 22 CFZ H5 . 52791 1
217 . 1 . 1 22 22 CFZ H6 H 1 7.463 0.023 . 1 . . . . . 22 CFZ H6 . 52791 1
218 . 1 . 1 24 24 UFT H5 H 1 5.71 0.023 . 1 . . . . . 24 UFT H5 . 52791 1
219 . 1 . 1 24 24 UFT H6 H 1 7.749 0.023 . 1 . . . . . 24 UFT H6 . 52791 1
220 . 1 . 1 24 24 UFT C6 C 13 138.5 0.20 . 1 . . . . . 24 UFT C6 . 52791 1
221 . 1 . 1 24 24 UFT F2' F 19 -200.3 0.05 . 1 . . . . . 24 UFT F2' . 52791 1
222 . 1 . 1 25 25 CFZ H5 H 1 5.454 0.023 . 1 . . . . . 25 CFZ H5 . 52791 1
223 . 1 . 1 25 25 CFZ H6 H 1 7.541 0.023 . 1 . . . . . 25 CFZ H6 . 52791 1
224 . 1 . 1 25 25 CFZ C6 C 13 138.8 0.20 . 1 . . . . . 25 CFZ C6 . 52791 1
225 . 1 . 1 26 26 CFZ H5 H 1 5.39 0.023 . 1 . . . . . 26 CFZ H5 . 52791 1
226 . 1 . 1 26 26 CFZ H6 H 1 7.622 0.023 . 1 . . . . . 26 CFZ H6 . 52791 1
227 . 1 . 1 26 26 CFZ C6 C 13 138.5 0.20 . 1 . . . . . 26 CFZ C6 . 52791 1
228 . 1 . 1 27 27 OMG H8 H 1 7.565 0.023 . 1 . . . . . 27 OMG H8 . 52791 1
229 . 1 . 1 27 27 OMG C8 C 13 136.7 0.20 . 1 . . . . . 27 OMG C8 . 52791 1
230 . 1 . 1 28 28 HTM H1' H 1 5.82 0.023 . 1 . . . . . 28 HTM H1' . 52791 1
231 . 1 . 1 28 28 HTM H2'1 H 1 2.31 0.023 . 1 . . . . . 28 HTM H2'1 . 52791 1
232 . 1 . 1 28 28 HTM H2'2 H 1 2.31 0.023 . 1 . . . . . 28 HTM H2'2 . 52791 1
233 . 1 . 1 28 28 HTM H4' H 1 3.513 0.023 . 1 . . . . . 28 HTM H4' . 52791 1
234 . 1 . 1 28 28 HTM H6 H 1 7.36 0.023 . 1 . . . . . 28 HTM H6 . 52791 1
235 . 1 . 1 28 28 HTM HM51 H 1 1.551 0.023 . 1 . . . . . 28 HTM HM51 . 52791 1
236 . 1 . 1 28 28 HTM HM52 H 1 1.551 0.023 . 1 . . . . . 28 HTM HM52 . 52791 1
237 . 1 . 1 28 28 HTM HM53 H 1 1.551 0.023 . 1 . . . . . 28 HTM HM53 . 52791 1
238 . 1 . 1 28 28 HTM C1' C 13 85.79 0.20 . 1 . . . . . 28 HTM C1' . 52791 1
239 . 1 . 1 28 28 HTM C2' C 13 158.1 0.20 . 1 . . . . . 28 HTM C2' . 52791 1
240 . 1 . 1 28 28 HTM C3' C 13 76.64 0.20 . 1 . . . . . 28 HTM C3' . 52791 1
241 . 1 . 1 28 28 HTM C4' C 13 86.72 0.20 . 1 . . . . . 28 HTM C4' . 52791 1
242 . 1 . 1 28 28 HTM C5' C 13 61.32 0.20 . 1 . . . . . 28 HTM C5' . 52791 1
243 . 1 . 1 28 28 HTM C5M C 13 131.5 0.20 . 1 . . . . . 28 HTM C5M . 52791 1
244 . 1 . 1 28 28 HTM C6 C 13 136.5 0.20 . 1 . . . . . 28 HTM C6 . 52791 1
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