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 35020
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.05
_Assigned_chem_shift_list.Chem_shift_15N_err 0.05
_Assigned_chem_shift_list.Chem_shift_31P_err 0.05
_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' . . . 35020 1
2 '2D 1H-13C HSQC' . . . 35020 1
3 '2D 1H-13C HSQC' . . . 35020 1
4 '2D 1H-15N HSQC' . . . 35020 1
5 '2D 1H-15N HSQC' . . . 35020 1
6 '3D qHCP' . . . 35020 1
7 '2D qHCP' . . . 35020 1
8 '2D P-FIDS' . . . 35020 1
9 '3D HCC-TOCSY-CCH-E.COSY' . . . 35020 1
10 '2D HNN-COSY' . . . 35020 1
11 '2D gamma HCCH' . . . 35020 1
12 '2D gamma HCNCH' . . . 35020 1
13 '2D gamma HCP' . . . 35020 1
14 '2D 1H-13C HSQC' . . . 35020 1
15 '2D 1H-15N HSQC' . . . 35020 1
16 '2D HCN' . . . 35020 1
17 '3D forward directed HCCH-TOCSY' . . . 35020 1
18 '2D 1H-1H NOESY' . . . 35020 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 G H1' H 1 5.838 0.01 . 1 . . . . A 1 G H1' . 35020 1
2 . 1 . 1 1 1 G H2' H 1 4.959 0.01 . 1 . . . . A 1 G H2' . 35020 1
3 . 1 . 1 1 1 G H3' H 1 4.733 0.01 . 1 . . . . A 1 G H3' . 35020 1
4 . 1 . 1 1 1 G H4' H 1 4.582 0.01 . 1 . . . . A 1 G H4' . 35020 1
5 . 1 . 1 1 1 G H5' H 1 4.438 0.01 . . . . . . A 1 G H5' . 35020 1
6 . 1 . 1 1 1 G H5'' H 1 4.302 0.01 . . . . . . A 1 G H5'' . 35020 1
7 . 1 . 1 1 1 G H8 H 1 8.157 0.01 . 1 . . . . A 1 G H8 . 35020 1
8 . 1 . 1 1 1 G C1' C 13 91.644 0.05 . 1 . . . . A 1 G C1' . 35020 1
9 . 1 . 1 1 1 G C2 C 13 156.3 0.05 . 1 . . . . A 1 G C2 . 35020 1
10 . 1 . 1 1 1 G C2' C 13 75.083 0.05 . 1 . . . . A 1 G C2' . 35020 1
11 . 1 . 1 1 1 G C3' C 13 74.791 0.05 . 1 . . . . A 1 G C3' . 35020 1
12 . 1 . 1 1 1 G C4 C 13 152.3 0.05 . 1 . . . . A 1 G C4 . 35020 1
13 . 1 . 1 1 1 G C4' C 13 83.412 0.05 . 1 . . . . A 1 G C4' . 35020 1
14 . 1 . 1 1 1 G C5 C 13 118.6 0.05 . 1 . . . . A 1 G C5 . 35020 1
15 . 1 . 1 1 1 G C5' C 13 67.368 0.05 . 1 . . . . A 1 G C5' . 35020 1
16 . 1 . 1 1 1 G C6 C 13 162.5 0.05 . 1 . . . . A 1 G C6 . 35020 1
17 . 1 . 1 1 1 G C8 C 13 139.064 0.05 . 1 . . . . A 1 G C8 . 35020 1
18 . 1 . 1 1 1 G N1 N 15 147.3 0.05 . 1 . . . . A 1 G N1 . 35020 1
19 . 1 . 1 1 1 G N2 N 15 75.1 0.05 . 1 . . . . A 1 G N2 . 35020 1
20 . 1 . 1 1 1 G N3 N 15 163.3 0.05 . 1 . . . . A 1 G N3 . 35020 1
21 . 1 . 1 1 1 G N7 N 15 232.7 0.05 . 1 . . . . A 1 G N7 . 35020 1
22 . 1 . 1 1 1 G N9 N 15 168.8 0.05 . 1 . . . . A 1 G N9 . 35020 1
23 . 1 . 1 1 1 G P P 31 -1.133 0.05 . 1 . . . . A 1 G P . 35020 1
24 . 1 . 1 2 2 G H1 H 1 13.318 0.01 . 1 . . . . A 2 G H1 . 35020 1
25 . 1 . 1 2 2 G H1' H 1 5.929 0.01 . 1 . . . . A 2 G H1' . 35020 1
26 . 1 . 1 2 2 G H2' H 1 4.564 0.01 . 1 . . . . A 2 G H2' . 35020 1
27 . 1 . 1 2 2 G H3' H 1 4.590 0.01 . 1 . . . . A 2 G H3' . 35020 1
28 . 1 . 1 2 2 G H4' H 1 4.567 0.01 . 1 . . . . A 2 G H4' . 35020 1
29 . 1 . 1 2 2 G H5' H 1 4.543 0.01 . . . . . . A 2 G H5' . 35020 1
30 . 1 . 1 2 2 G H5'' H 1 4.282 0.01 . . . . . . A 2 G H5'' . 35020 1
31 . 1 . 1 2 2 G H8 H 1 7.627 0.01 . 1 . . . . A 2 G H8 . 35020 1
32 . 1 . 1 2 2 G C1' C 13 93.071 0.05 . 1 . . . . A 2 G C1' . 35020 1
33 . 1 . 1 2 2 G C2 C 13 157.1 0.05 . 1 . . . . A 2 G C2 . 35020 1
34 . 1 . 1 2 2 G C2' C 13 75.422 0.05 . 1 . . . . A 2 G C2' . 35020 1
35 . 1 . 1 2 2 G C3' C 13 73.091 0.05 . 1 . . . . A 2 G C3' . 35020 1
36 . 1 . 1 2 2 G C4 C 13 151.5 0.05 . 1 . . . . A 2 G C4 . 35020 1
37 . 1 . 1 2 2 G C4' C 13 82.490 0.05 . 1 . . . . A 2 G C4' . 35020 1
38 . 1 . 1 2 2 G C5 C 13 118.6 0.05 . 1 . . . . A 2 G C5 . 35020 1
39 . 1 . 1 2 2 G C5' C 13 66.054 0.05 . 1 . . . . A 2 G C5' . 35020 1
40 . 1 . 1 2 2 G C6 C 13 161.8 0.05 . 1 . . . . A 2 G C6 . 35020 1
41 . 1 . 1 2 2 G C8 C 13 136.799 0.05 . 1 . . . . A 2 G C8 . 35020 1
42 . 1 . 1 2 2 G N1 N 15 148.376 0.05 . 1 . . . . A 2 G N1 . 35020 1
43 . 1 . 1 2 2 G N2 N 15 74.7 0.05 . 1 . . . . A 2 G N2 . 35020 1
44 . 1 . 1 2 2 G N3 N 15 161.8 0.05 . 1 . . . . A 2 G N3 . 35020 1
45 . 1 . 1 2 2 G N7 N 15 233.7 0.05 . 1 . . . . A 2 G N7 . 35020 1
46 . 1 . 1 2 2 G N9 N 15 169.4 0.05 . 1 . . . . A 2 G N9 . 35020 1
47 . 1 . 1 2 2 G P P 31 -0.727 0.05 . 1 . . . . A 2 G P . 35020 1
48 . 1 . 1 3 3 C H1' H 1 5.539 0.01 . 1 . . . . A 3 C H1' . 35020 1
49 . 1 . 1 3 3 C H2' H 1 4.509 0.01 . 1 . . . . A 3 C H2' . 35020 1
50 . 1 . 1 3 3 C H3' H 1 4.581 0.01 . 1 . . . . A 3 C H3' . 35020 1
51 . 1 . 1 3 3 C H4' H 1 4.461 0.01 . 1 . . . . A 3 C H4' . 35020 1
52 . 1 . 1 3 3 C H5 H 1 5.309 0.01 . 1 . . . . A 3 C H5 . 35020 1
53 . 1 . 1 3 3 C H5' H 1 4.609 0.01 . . . . . . A 3 C H5' . 35020 1
54 . 1 . 1 3 3 C H5'' H 1 4.148 0.01 . . . . . . A 3 C H5'' . 35020 1
55 . 1 . 1 3 3 C H6 H 1 7.734 0.01 . 1 . . . . A 3 C H6 . 35020 1
56 . 1 . 1 3 3 C H41 H 1 8.581 0.01 . . . . . . A 3 C H41 . 35020 1
57 . 1 . 1 3 3 C H42 H 1 6.896 0.01 . . . . . . A 3 C H42 . 35020 1
58 . 1 . 1 3 3 C C1' C 13 93.819 0.05 . 1 . . . . A 3 C C1' . 35020 1
59 . 1 . 1 3 3 C C2 C 13 158.7 0.05 . 1 . . . . A 3 C C2 . 35020 1
60 . 1 . 1 3 3 C C2' C 13 75.439 0.05 . 1 . . . . A 3 C C2' . 35020 1
61 . 1 . 1 3 3 C C3' C 13 72.167 0.05 . 1 . . . . A 3 C C3' . 35020 1
62 . 1 . 1 3 3 C C4 C 13 168.6 0.05 . 1 . . . . A 3 C C4 . 35020 1
63 . 1 . 1 3 3 C C4' C 13 81.813 0.05 . 1 . . . . A 3 C C4' . 35020 1
64 . 1 . 1 3 3 C C5 C 13 97.569 0.05 . 1 . . . . A 3 C C5 . 35020 1
65 . 1 . 1 3 3 C C5' C 13 64.498 0.05 . 1 . . . . A 3 C C5' . 35020 1
66 . 1 . 1 3 3 C C6 C 13 140.766 0.05 . 1 . . . . A 3 C C6 . 35020 1
67 . 1 . 1 3 3 C N1 N 15 150.7 0.05 . 1 . . . . A 3 C N1 . 35020 1
68 . 1 . 1 3 3 C N3 N 15 197.1 0.05 . 1 . . . . A 3 C N3 . 35020 1
69 . 1 . 1 3 3 C N4 N 15 98.212 0.05 . 1 . . . . A 3 C N4 . 35020 1
70 . 1 . 1 3 3 C P P 31 -1.255 0.05 . 1 . . . . A 3 C P . 35020 1
71 . 1 . 1 4 4 A H1' H 1 5.964 0.01 . 1 . . . . A 4 A H1' . 35020 1
72 . 1 . 1 4 4 A H2 H 1 7.404 0.01 . 1 . . . . A 4 A H2 . 35020 1
73 . 1 . 1 4 4 A H2' H 1 4.499 0.01 . 1 . . . . A 4 A H2' . 35020 1
74 . 1 . 1 4 4 A H3' H 1 4.673 0.01 . 1 . . . . A 4 A H3' . 35020 1
75 . 1 . 1 4 4 A H4' H 1 4.478 0.01 . 1 . . . . A 4 A H4' . 35020 1
76 . 1 . 1 4 4 A H5' H 1 4.601 0.01 . . . . . . A 4 A H5' . 35020 1
77 . 1 . 1 4 4 A H5'' H 1 4.157 0.01 . . . . . . A 4 A H5'' . 35020 1
78 . 1 . 1 4 4 A H8 H 1 8.042 0.01 . 1 . . . . A 4 A H8 . 35020 1
79 . 1 . 1 4 4 A C1' C 13 92.998 0.05 . 1 . . . . A 4 A C1' . 35020 1
80 . 1 . 1 4 4 A C2 C 13 153.175 0.05 . 1 . . . . A 4 A C2 . 35020 1
81 . 1 . 1 4 4 A C2' C 13 75.789 0.05 . 1 . . . . A 4 A C2' . 35020 1
82 . 1 . 1 4 4 A C3' C 13 72.665 0.05 . 1 . . . . A 4 A C3' . 35020 1
83 . 1 . 1 4 4 A C4 C 13 149.3 0.05 . 1 . . . . A 4 A C4 . 35020 1
84 . 1 . 1 4 4 A C4' C 13 81.903 0.05 . 1 . . . . A 4 A C4' . 35020 1
85 . 1 . 1 4 4 A C5 C 13 120.3 0.05 . 1 . . . . A 4 A C5 . 35020 1
86 . 1 . 1 4 4 A C5' C 13 64.904 0.05 . 1 . . . . A 4 A C5' . 35020 1
87 . 1 . 1 4 4 A C6 C 13 158.2 0.05 . 1 . . . . A 4 A C6 . 35020 1
88 . 1 . 1 4 4 A C8 C 13 139.346 0.05 . 1 . . . . A 4 A C8 . 35020 1
89 . 1 . 1 4 4 A N1 N 15 221.8 0.05 . 1 . . . . A 4 A N1 . 35020 1
90 . 1 . 1 4 4 A N3 N 15 213.0 0.05 . 1 . . . . A 4 A N3 . 35020 1
91 . 1 . 1 4 4 A N6 N 15 84.4 0.05 . 1 . . . . A 4 A N6 . 35020 1
92 . 1 . 1 4 4 A N7 N 15 230.6 0.05 . 1 . . . . A 4 A N7 . 35020 1
93 . 1 . 1 4 4 A N9 N 15 170.9 0.05 . 1 . . . . A 4 A N9 . 35020 1
94 . 1 . 1 4 4 A P P 31 -0.934 0.05 . 1 . . . . A 4 A P . 35020 1
95 . 1 . 1 5 5 C H1' H 1 5.393 0.01 . 1 . . . . A 5 C H1' . 35020 1
96 . 1 . 1 5 5 C H2' H 1 4.264 0.01 . 1 . . . . A 5 C H2' . 35020 1
97 . 1 . 1 5 5 C H3' H 1 4.283 0.01 . 1 . . . . A 5 C H3' . 35020 1
98 . 1 . 1 5 5 C H4' H 1 4.336 0.01 . 1 . . . . A 5 C H4' . 35020 1
99 . 1 . 1 5 5 C H5 H 1 5.115 0.01 . 1 . . . . A 5 C H5 . 35020 1
100 . 1 . 1 5 5 C H5' H 1 4.496 0.01 . . . . . . A 5 C H5' . 35020 1
101 . 1 . 1 5 5 C H5'' H 1 4.053 0.01 . . . . . . A 5 C H5'' . 35020 1
102 . 1 . 1 5 5 C H6 H 1 7.253 0.01 . 1 . . . . A 5 C H6 . 35020 1
103 . 1 . 1 5 5 C H41 H 1 8.186 0.01 . . . . . . A 5 C H41 . 35020 1
104 . 1 . 1 5 5 C H42 H 1 6.794 0.01 . . . . . . A 5 C H42 . 35020 1
105 . 1 . 1 5 5 C C1' C 13 93.678 0.05 . 1 . . . . A 5 C C1' . 35020 1
106 . 1 . 1 5 5 C C2 C 13 158.4 0.05 . 1 . . . . A 5 C C2 . 35020 1
107 . 1 . 1 5 5 C C2' C 13 75.888 0.05 . 1 . . . . A 5 C C2' . 35020 1
108 . 1 . 1 5 5 C C3' C 13 72.318 0.05 . 1 . . . . A 5 C C3' . 35020 1
109 . 1 . 1 5 5 C C4 C 13 167.9 0.05 . 1 . . . . A 5 C C4 . 35020 1
110 . 1 . 1 5 5 C C4' C 13 81.869 0.05 . 1 . . . . A 5 C C4' . 35020 1
111 . 1 . 1 5 5 C C5 C 13 97.642 0.05 . 1 . . . . A 5 C C5 . 35020 1
112 . 1 . 1 5 5 C C5' C 13 64.850 0.05 . 1 . . . . A 5 C C5' . 35020 1
113 . 1 . 1 5 5 C C6 C 13 139.712 0.05 . 1 . . . . A 5 C C6 . 35020 1
114 . 1 . 1 5 5 C N1 N 15 150.3 0.05 . 1 . . . . A 5 C N1 . 35020 1
115 . 1 . 1 5 5 C N3 N 15 196.1 0.05 . 1 . . . . A 5 C N3 . 35020 1
116 . 1 . 1 5 5 C N4 N 15 98.283 0.05 . 1 . . . . A 5 C N4 . 35020 1
117 . 1 . 1 5 5 C P P 31 -1.014 0.05 . 1 . . . . A 5 C P . 35020 1
118 . 1 . 1 6 6 G H1' H 1 5.673 0.01 . 1 . . . . A 6 G H1' . 35020 1
119 . 1 . 1 6 6 G H2' H 1 4.525 0.01 . 1 . . . . A 6 G H2' . 35020 1
120 . 1 . 1 6 6 G H3' H 1 4.612 0.01 . 1 . . . . A 6 G H3' . 35020 1
121 . 1 . 1 6 6 G H4' H 1 4.418 0.01 . 1 . . . . A 6 G H4' . 35020 1
122 . 1 . 1 6 6 G H5' H 1 4.325 0.01 . . . . . . A 6 G H5' . 35020 1
123 . 1 . 1 6 6 G H5'' H 1 4.077 0.01 . . . . . . A 6 G H5'' . 35020 1
124 . 1 . 1 6 6 G H8 H 1 7.546 0.01 . 1 . . . . A 6 G H8 . 35020 1
125 . 1 . 1 6 6 G H22 H 1 6.191 0.01 . . . . . . A 6 G H22 . 35020 1
126 . 1 . 1 6 6 G C1' C 13 91.571 0.05 . 1 . . . . A 6 G C1' . 35020 1
127 . 1 . 1 6 6 G C2 C 13 155.6 0.05 . 1 . . . . A 6 G C2 . 35020 1
128 . 1 . 1 6 6 G C2' C 13 75.580 0.05 . 1 . . . . A 6 G C2' . 35020 1
129 . 1 . 1 6 6 G C3' C 13 74.749 0.05 . 1 . . . . A 6 G C3' . 35020 1
130 . 1 . 1 6 6 G C4 C 13 153.3 0.05 . 1 . . . . A 6 G C4 . 35020 1
131 . 1 . 1 6 6 G C4' C 13 83.123 0.05 . 1 . . . . A 6 G C4' . 35020 1
132 . 1 . 1 6 6 G C5 C 13 118.6 0.05 . 1 . . . . A 6 G C5 . 35020 1
133 . 1 . 1 6 6 G C5' C 13 65.813 0.05 . 1 . . . . A 6 G C5' . 35020 1
134 . 1 . 1 6 6 G C6 C 13 160.8 0.05 . 1 . . . . A 6 G C6 . 35020 1
135 . 1 . 1 6 6 G C8 C 13 137.304 0.05 . 1 . . . . A 6 G C8 . 35020 1
136 . 1 . 1 6 6 G N1 N 15 142.2 0.05 . 1 . . . . A 6 G N1 . 35020 1
137 . 1 . 1 6 6 G N2 N 15 73.199 0.05 . 1 . . . . A 6 G N2 . 35020 1
138 . 1 . 1 6 6 G N3 N 15 163.4 0.05 . 1 . . . . A 6 G N3 . 35020 1
139 . 1 . 1 6 6 G N7 N 15 238.5 0.05 . 1 . . . . A 6 G N7 . 35020 1
140 . 1 . 1 6 6 G N9 N 15 168.4 0.05 . 1 . . . . A 6 G N9 . 35020 1
141 . 1 . 1 6 6 G P P 31 -0.763 0.05 . 1 . . . . A 6 G P . 35020 1
142 . 1 . 1 7 7 A H1' H 1 5.667 0.01 . 1 . . . . A 7 A H1' . 35020 1
143 . 1 . 1 7 7 A H2 H 1 7.916 0.01 . 1 . . . . A 7 A H2 . 35020 1
144 . 1 . 1 7 7 A H2' H 1 4.557 0.01 . 1 . . . . A 7 A H2' . 35020 1
145 . 1 . 1 7 7 A H3' H 1 4.552 0.01 . 1 . . . . A 7 A H3' . 35020 1
146 . 1 . 1 7 7 A H4' H 1 3.997 0.01 . 1 . . . . A 7 A H4' . 35020 1
147 . 1 . 1 7 7 A H5' H 1 3.988 0.01 . . . . . . A 7 A H5' . 35020 1
148 . 1 . 1 7 7 A H5'' H 1 3.922 0.01 . . . . . . A 7 A H5'' . 35020 1
149 . 1 . 1 7 7 A H8 H 1 8.253 0.01 . 1 . . . . A 7 A H8 . 35020 1
150 . 1 . 1 7 7 A H62 H 1 6.501 0.01 . . . . . . A 7 A H62 . 35020 1
151 . 1 . 1 7 7 A C1' C 13 89.765 0.05 . 1 . . . . A 7 A C1' . 35020 1
152 . 1 . 1 7 7 A C2 C 13 154.748 0.05 . 1 . . . . A 7 A C2 . 35020 1
153 . 1 . 1 7 7 A C2' C 13 76.800 0.05 . 1 . . . . A 7 A C2' . 35020 1
154 . 1 . 1 7 7 A C3' C 13 76.451 0.05 . 1 . . . . A 7 A C3' . 35020 1
155 . 1 . 1 7 7 A C4 C 13 150.7 0.05 . 1 . . . . A 7 A C4 . 35020 1
156 . 1 . 1 7 7 A C4' C 13 84.616 0.05 . 1 . . . . A 7 A C4' . 35020 1
157 . 1 . 1 7 7 A C5 C 13 120.2 0.05 . 1 . . . . A 7 A C5 . 35020 1
158 . 1 . 1 7 7 A C5' C 13 66.408 0.05 . 1 . . . . A 7 A C5' . 35020 1
159 . 1 . 1 7 7 A C6 C 13 157.6 0.05 . 1 . . . . A 7 A C6 . 35020 1
160 . 1 . 1 7 7 A C8 C 13 142.077 0.05 . 1 . . . . A 7 A C8 . 35020 1
161 . 1 . 1 7 7 A N1 N 15 225.5 0.05 . 1 . . . . A 7 A N1 . 35020 1
162 . 1 . 1 7 7 A N3 N 15 216.5 0.05 . 1 . . . . A 7 A N3 . 35020 1
163 . 1 . 1 7 7 A N6 N 15 78.276 0.05 . 1 . . . . A 7 A N6 . 35020 1
164 . 1 . 1 7 7 A N7 N 15 231.6 0.05 . 1 . . . . A 7 A N7 . 35020 1
165 . 1 . 1 7 7 A N9 N 15 168.1 0.05 . 1 . . . . A 7 A N9 . 35020 1
166 . 1 . 1 7 7 A P P 31 0.204 0.05 . 1 . . . . A 7 A P . 35020 1
167 . 1 . 1 8 8 A H1' H 1 5.798 0.01 . 1 . . . . A 8 A H1' . 35020 1
168 . 1 . 1 8 8 A H2 H 1 7.863 0.01 . 1 . . . . A 8 A H2 . 35020 1
169 . 1 . 1 8 8 A H2' H 1 4.665 0.01 . 1 . . . . A 8 A H2' . 35020 1
170 . 1 . 1 8 8 A H3' H 1 4.751 0.01 . 1 . . . . A 8 A H3' . 35020 1
171 . 1 . 1 8 8 A H4' H 1 4.427 0.01 . 1 . . . . A 8 A H4' . 35020 1
172 . 1 . 1 8 8 A H5' H 1 4.136 0.01 . . . . . . A 8 A H5' . 35020 1
173 . 1 . 1 8 8 A H5'' H 1 3.957 0.01 . . . . . . A 8 A H5'' . 35020 1
174 . 1 . 1 8 8 A H8 H 1 8.079 0.01 . 1 . . . . A 8 A H8 . 35020 1
175 . 1 . 1 8 8 A H62 H 1 6.684 0.01 . . . . . . A 8 A H62 . 35020 1
176 . 1 . 1 8 8 A C1' C 13 91.410 0.05 . 1 . . . . A 8 A C1' . 35020 1
177 . 1 . 1 8 8 A C2 C 13 154.684 0.05 . 1 . . . . A 8 A C2 . 35020 1
178 . 1 . 1 8 8 A C2' C 13 76.168 0.05 . 1 . . . . A 8 A C2' . 35020 1
179 . 1 . 1 8 8 A C3' C 13 76.011 0.05 . 1 . . . . A 8 A C3' . 35020 1
180 . 1 . 1 8 8 A C4 C 13 150.0 0.05 . 1 . . . . A 8 A C4 . 35020 1
181 . 1 . 1 8 8 A C4' C 13 84.286 0.05 . 1 . . . . A 8 A C4' . 35020 1
182 . 1 . 1 8 8 A C5 C 13 120.5 0.05 . 1 . . . . A 8 A C5 . 35020 1
183 . 1 . 1 8 8 A C5' C 13 66.909 0.05 . 1 . . . . A 8 A C5' . 35020 1
184 . 1 . 1 8 8 A C6 C 13 157.8 0.05 . 1 . . . . A 8 A C6 . 35020 1
185 . 1 . 1 8 8 A C8 C 13 141.324 0.05 . 1 . . . . A 8 A C8 . 35020 1
186 . 1 . 1 8 8 A N1 N 15 226.2 0.05 . 1 . . . . A 8 A N1 . 35020 1
187 . 1 . 1 8 8 A N3 N 15 126.5 0.05 . 1 . . . . A 8 A N3 . 35020 1
188 . 1 . 1 8 8 A N6 N 15 79.561 0.05 . 1 . . . . A 8 A N6 . 35020 1
189 . 1 . 1 8 8 A N7 N 15 230.9 0.05 . 1 . . . . A 8 A N7 . 35020 1
190 . 1 . 1 8 8 A N9 N 15 169.6 0.05 . 1 . . . . A 8 A N9 . 35020 1
191 . 1 . 1 8 8 A P P 31 -0.598 0.05 . 1 . . . . A 8 A P . 35020 1
192 . 1 . 1 9 9 G H1' H 1 6.001 0.01 . 1 . . . . A 9 G H1' . 35020 1
193 . 1 . 1 9 9 G H2' H 1 4.681 0.01 . 1 . . . . A 9 G H2' . 35020 1
194 . 1 . 1 9 9 G H3' H 1 4.915 0.01 . 1 . . . . A 9 G H3' . 35020 1
195 . 1 . 1 9 9 G H4' H 1 4.568 0.01 . 1 . . . . A 9 G H4' . 35020 1
196 . 1 . 1 9 9 G H5' H 1 4.435 0.01 . . . . . . A 9 G H5' . 35020 1
197 . 1 . 1 9 9 G H5'' H 1 4.279 0.01 . . . . . . A 9 G H5'' . 35020 1
198 . 1 . 1 9 9 G H8 H 1 7.786 0.01 . 1 . . . . A 9 G H8 . 35020 1
199 . 1 . 1 9 9 G C1' C 13 90.819 0.05 . 1 . . . . A 9 G C1' . 35020 1
200 . 1 . 1 9 9 G C2 C 13 156.8 0.05 . 1 . . . . A 9 G C2 . 35020 1
201 . 1 . 1 9 9 G C2' C 13 76.131 0.05 . 1 . . . . A 9 G C2' . 35020 1
202 . 1 . 1 9 9 G C3' C 13 75.653 0.05 . 1 . . . . A 9 G C3' . 35020 1
203 . 1 . 1 9 9 G C4 C 13 153.7 0.05 . 1 . . . . A 9 G C4 . 35020 1
204 . 1 . 1 9 9 G C4' C 13 83.943 0.05 . 1 . . . . A 9 G C4' . 35020 1
205 . 1 . 1 9 9 G C5 C 13 118.7 0.05 . 1 . . . . A 9 G C5 . 35020 1
206 . 1 . 1 9 9 G C5' C 13 67.266 0.05 . 1 . . . . A 9 G C5' . 35020 1
207 . 1 . 1 9 9 G C6 C 13 161.6 0.05 . 1 . . . . A 9 G C6 . 35020 1
208 . 1 . 1 9 9 G C8 C 13 139.177 0.05 . 1 . . . . A 9 G C8 . 35020 1
209 . 1 . 1 9 9 G N1 N 15 147.1 0.05 . 1 . . . . A 9 G N1 . 35020 1
210 . 1 . 1 9 9 G N2 N 15 73.6 0.05 . 1 . . . . A 9 G N2 . 35020 1
211 . 1 . 1 9 9 G N3 N 15 166.3 0.05 . 1 . . . . A 9 G N3 . 35020 1
212 . 1 . 1 9 9 G N7 N 15 237.2 0.05 . 1 . . . . A 9 G N7 . 35020 1
213 . 1 . 1 9 9 G N9 N 15 169.9 0.05 . 1 . . . . A 9 G N9 . 35020 1
214 . 1 . 1 9 9 G P P 31 -1.189 0.05 . 1 . . . . A 9 G P . 35020 1
215 . 1 . 1 10 10 G H1' H 1 4.956 0.01 . 1 . . . . A 10 G H1' . 35020 1
216 . 1 . 1 10 10 G H2' H 1 4.455 0.01 . 1 . . . . A 10 G H2' . 35020 1
217 . 1 . 1 10 10 G H3' H 1 4.350 0.01 . 1 . . . . A 10 G H3' . 35020 1
218 . 1 . 1 10 10 G H4' H 1 4.391 0.01 . 1 . . . . A 10 G H4' . 35020 1
219 . 1 . 1 10 10 G H5' H 1 4.312 0.01 . . . . . . A 10 G H5' . 35020 1
220 . 1 . 1 10 10 G H8 H 1 8.027 0.01 . 1 . . . . A 10 G H8 . 35020 1
221 . 1 . 1 10 10 G C1' C 13 93.101 0.05 . 1 . . . . A 10 G C1' . 35020 1
222 . 1 . 1 10 10 G C2 C 13 156.7 0.05 . 1 . . . . A 10 G C2 . 35020 1
223 . 1 . 1 10 10 G C2' C 13 74.873 0.05 . 1 . . . . A 10 G C2' . 35020 1
224 . 1 . 1 10 10 G C3' C 13 74.556 0.05 . 1 . . . . A 10 G C3' . 35020 1
225 . 1 . 1 10 10 G C4 C 13 152.1 0.05 . 1 . . . . A 10 G C4 . 35020 1
226 . 1 . 1 10 10 G C4' C 13 83.268 0.05 . 1 . . . . A 10 G C4' . 35020 1
227 . 1 . 1 10 10 G C5 C 13 118.7 0.05 . 1 . . . . A 10 G C5 . 35020 1
228 . 1 . 1 10 10 G C5' C 13 68.743 0.05 . 1 . . . . A 10 G C5' . 35020 1
229 . 1 . 1 10 10 G C6 C 13 161.9 0.05 . 1 . . . . A 10 G C6 . 35020 1
230 . 1 . 1 10 10 G C8 C 13 138.037 0.05 . 1 . . . . A 10 G C8 . 35020 1
231 . 1 . 1 10 10 G N1 N 15 147.5 0.05 . 1 . . . . A 10 G N1 . 35020 1
232 . 1 . 1 10 10 G N2 N 15 75.4 0.05 . 1 . . . . A 10 G N2 . 35020 1
233 . 1 . 1 10 10 G N3 N 15 163.3 0.05 . 1 . . . . A 10 G N3 . 35020 1
234 . 1 . 1 10 10 G N7 N 15 233.8 0.05 . 1 . . . . A 10 G N7 . 35020 1
235 . 1 . 1 10 10 G N9 N 15 169.1 0.05 . 1 . . . . A 10 G N9 . 35020 1
236 . 1 . 1 10 10 G P P 31 0.247 0.05 . 1 . . . . A 10 G P . 35020 1
237 . 1 . 1 11 11 U H1' H 1 5.570 0.01 . 1 . . . . A 11 U H1' . 35020 1
238 . 1 . 1 11 11 U H2' H 1 4.667 0.01 . 1 . . . . A 11 U H2' . 35020 1
239 . 1 . 1 11 11 U H3 H 1 13.680 0.01 . 1 . . . . A 11 U H3 . 35020 1
240 . 1 . 1 11 11 U H3' H 1 4.559 0.01 . 1 . . . . A 11 U H3' . 35020 1
241 . 1 . 1 11 11 U H4' H 1 4.455 0.01 . 1 . . . . A 11 U H4' . 35020 1
242 . 1 . 1 11 11 U H5 H 1 5.139 0.01 . 1 . . . . A 11 U H5 . 35020 1
243 . 1 . 1 11 11 U H5' H 1 4.502 0.01 . . . . . . A 11 U H5' . 35020 1
244 . 1 . 1 11 11 U H5'' H 1 4.119 0.01 . . . . . . A 11 U H5'' . 35020 1
245 . 1 . 1 11 11 U H6 H 1 7.777 0.01 . 1 . . . . A 11 U H6 . 35020 1
246 . 1 . 1 11 11 U C1' C 13 93.586 0.05 . 1 . . . . A 11 U C1' . 35020 1
247 . 1 . 1 11 11 U C2 C 13 152.8 0.05 . 1 . . . . A 11 U C2 . 35020 1
248 . 1 . 1 11 11 U C2' C 13 75.232 0.05 . 1 . . . . A 11 U C2' . 35020 1
249 . 1 . 1 11 11 U C3' C 13 72.452 0.05 . 1 . . . . A 11 U C3' . 35020 1
250 . 1 . 1 11 11 U C4 C 13 169.3 0.05 . 1 . . . . A 11 U C4 . 35020 1
251 . 1 . 1 11 11 U C4' C 13 82.095 0.05 . 1 . . . . A 11 U C4' . 35020 1
252 . 1 . 1 11 11 U C5 C 13 102.967 0.05 . 1 . . . . A 11 U C5 . 35020 1
253 . 1 . 1 11 11 U C5' C 13 64.759 0.05 . 1 . . . . A 11 U C5' . 35020 1
254 . 1 . 1 11 11 U C6 C 13 141.714 0.05 . 1 . . . . A 11 U C6 . 35020 1
255 . 1 . 1 11 11 U N1 N 15 146.2 0.05 . 1 . . . . A 11 U N1 . 35020 1
256 . 1 . 1 11 11 U N3 N 15 162.191 0.05 . 1 . . . . A 11 U N3 . 35020 1
257 . 1 . 1 11 11 U P P 31 -1.470 0.05 . 1 . . . . A 11 U P . 35020 1
258 . 1 . 1 12 12 G H1 H 1 12.667 0.01 . 1 . . . . A 12 G H1 . 35020 1
259 . 1 . 1 12 12 G H1' H 1 5.822 0.01 . 1 . . . . A 12 G H1' . 35020 1
260 . 1 . 1 12 12 G H2' H 1 4.523 0.01 . 1 . . . . A 12 G H2' . 35020 1
261 . 1 . 1 12 12 G H3' H 1 4.586 0.01 . 1 . . . . A 12 G H3' . 35020 1
262 . 1 . 1 12 12 G H4' H 1 4.495 0.01 . 1 . . . . A 12 G H4' . 35020 1
263 . 1 . 1 12 12 G H5' H 1 4.531 0.01 . . . . . . A 12 G H5' . 35020 1
264 . 1 . 1 12 12 G H5'' H 1 4.148 0.01 . . . . . . A 12 G H5'' . 35020 1
265 . 1 . 1 12 12 G H8 H 1 7.740 0.01 . 1 . . . . A 12 G H8 . 35020 1
266 . 1 . 1 12 12 G C1' C 13 92.804 0.05 . 1 . . . . A 12 G C1' . 35020 1
267 . 1 . 1 12 12 G C2 C 13 156.8 0.05 . 1 . . . . A 12 G C2 . 35020 1
268 . 1 . 1 12 12 G C2' C 13 75.488 0.05 . 1 . . . . A 12 G C2' . 35020 1
269 . 1 . 1 12 12 G C3' C 13 72.915 0.05 . 1 . . . . A 12 G C3' . 35020 1
270 . 1 . 1 12 12 G C4 C 13 151.8 0.05 . 1 . . . . A 12 G C4 . 35020 1
271 . 1 . 1 12 12 G C4' C 13 81.944 0.05 . 1 . . . . A 12 G C4' . 35020 1
272 . 1 . 1 12 12 G C5 C 13 118.6 0.05 . 1 . . . . A 12 G C5 . 35020 1
273 . 1 . 1 12 12 G C5' C 13 65.471 0.05 . 1 . . . . A 12 G C5' . 35020 1
274 . 1 . 1 12 12 G C6 C 13 161.5 0.05 . 1 . . . . A 12 G C6 . 35020 1
275 . 1 . 1 12 12 G C8 C 13 136.120 0.05 . 1 . . . . A 12 G C8 . 35020 1
276 . 1 . 1 12 12 G N1 N 15 147.864 0.05 . 1 . . . . A 12 G N1 . 35020 1
277 . 1 . 1 12 12 G N2 N 15 74.8 0.05 . 1 . . . . A 12 G N2 . 35020 1
278 . 1 . 1 12 12 G N3 N 15 162.3 0.05 . 1 . . . . A 12 G N3 . 35020 1
279 . 1 . 1 12 12 G N7 N 15 234.7 0.05 . 1 . . . . A 12 G N7 . 35020 1
280 . 1 . 1 12 12 G N9 N 15 169.7 0.05 . 1 . . . . A 12 G N9 . 35020 1
281 . 1 . 1 12 12 G P P 31 -0.939 0.05 . 1 . . . . A 12 G P . 35020 1
282 . 1 . 1 13 13 C H1' H 1 5.468 0.01 . 1 . . . . A 13 C H1' . 35020 1
283 . 1 . 1 13 13 C H2' H 1 4.187 0.01 . 1 . . . . A 13 C H2' . 35020 1
284 . 1 . 1 13 13 C H3' H 1 4.419 0.01 . 1 . . . . A 13 C H3' . 35020 1
285 . 1 . 1 13 13 C H4' H 1 4.393 0.01 . 1 . . . . A 13 C H4' . 35020 1
286 . 1 . 1 13 13 C H5 H 1 5.273 0.01 . 1 . . . . A 13 C H5 . 35020 1
287 . 1 . 1 13 13 C H5' H 1 4.555 0.01 . . . . . . A 13 C H5' . 35020 1
288 . 1 . 1 13 13 C H5'' H 1 4.052 0.01 . . . . . . A 13 C H5'' . 35020 1
289 . 1 . 1 13 13 C H6 H 1 7.643 0.01 . 1 . . . . A 13 C H6 . 35020 1
290 . 1 . 1 13 13 C H41 H 1 8.517 0.01 . . . . . . A 13 C H41 . 35020 1
291 . 1 . 1 13 13 C H42 H 1 6.900 0.01 . . . . . . A 13 C H42 . 35020 1
292 . 1 . 1 13 13 C C1' C 13 94.372 0.05 . 1 . . . . A 13 C C1' . 35020 1
293 . 1 . 1 13 13 C C2 C 13 158.8 0.05 . 1 . . . . A 13 C C2 . 35020 1
294 . 1 . 1 13 13 C C2' C 13 75.725 0.05 . 1 . . . . A 13 C C2' . 35020 1
295 . 1 . 1 13 13 C C3' C 13 72.158 0.05 . 1 . . . . A 13 C C3' . 35020 1
296 . 1 . 1 13 13 C C4 C 13 168.3 0.05 . 1 . . . . A 13 C C4 . 35020 1
297 . 1 . 1 13 13 C C4' C 13 82.092 0.05 . 1 . . . . A 13 C C4' . 35020 1
298 . 1 . 1 13 13 C C5 C 13 97.199 0.05 . 1 . . . . A 13 C C5 . 35020 1
299 . 1 . 1 13 13 C C5' C 13 64.480 0.05 . 1 . . . . A 13 C C5' . 35020 1
300 . 1 . 1 13 13 C C6 C 13 141.020 0.05 . 1 . . . . A 13 C C6 . 35020 1
301 . 1 . 1 13 13 C N1 N 15 151.2 0.05 . 1 . . . . A 13 C N1 . 35020 1
302 . 1 . 1 13 13 C N3 N 15 198.2 0.05 . 1 . . . . A 13 C N3 . 35020 1
303 . 1 . 1 13 13 C N4 N 15 99.061 0.05 . 1 . . . . A 13 C N4 . 35020 1
304 . 1 . 1 13 13 C P P 31 -1.404 0.05 . 1 . . . . A 13 C P . 35020 1
305 . 1 . 1 14 14 C H1' H 1 6.102 0.01 . 1 . . . . A 14 C H1' . 35020 1
306 . 1 . 1 14 14 C H2' H 1 4.640 0.01 . 1 . . . . A 14 C H2' . 35020 1
307 . 1 . 1 14 14 C H3' H 1 4.949 0.01 . 1 . . . . A 14 C H3' . 35020 1
308 . 1 . 1 14 14 C H4' H 1 4.413 0.01 . 1 . . . . A 14 C H4' . 35020 1
309 . 1 . 1 14 14 C H5 H 1 5.555 0.01 . 1 . . . . A 14 C H5 . 35020 1
310 . 1 . 1 14 14 C H5' H 1 4.518 0.01 . . . . . . A 14 C H5' . 35020 1
311 . 1 . 1 14 14 C H5'' H 1 4.087 0.01 . . . . . . A 14 C H5'' . 35020 1
312 . 1 . 1 14 14 C H6 H 1 7.478 0.01 . 1 . . . . A 14 C H6 . 35020 1
313 . 1 . 1 14 14 C H41 H 1 8.566 0.01 . . . . . . A 14 C H41 . 35020 1
314 . 1 . 1 14 14 C H42 H 1 7.069 0.01 . . . . . . A 14 C H42 . 35020 1
315 . 1 . 1 14 14 C C1' C 13 91.980 0.05 . 1 . . . . A 14 C C1' . 35020 1
316 . 1 . 1 14 14 C C2 C 13 159.8 0.05 . 1 . . . . A 14 C C2 . 35020 1
317 . 1 . 1 14 14 C C2' C 13 85.227 0.05 . 1 . . . . A 14 C C2' . 35020 1
318 . 1 . 1 14 14 C C3' C 13 77.810 0.05 . 1 . . . . A 14 C C3' . 35020 1
319 . 1 . 1 14 14 C C4 C 13 169.0 0.05 . 1 . . . . A 14 C C4 . 35020 1
320 . 1 . 1 14 14 C C4' C 13 85.493 0.05 . 1 . . . . A 14 C C4' . 35020 1
321 . 1 . 1 14 14 C C5 C 13 99.321 0.05 . 1 . . . . A 14 C C5 . 35020 1
322 . 1 . 1 14 14 C C5' C 13 65.641 0.05 . 1 . . . . A 14 C C5' . 35020 1
323 . 1 . 1 14 14 C C6 C 13 141.600 0.05 . 1 . . . . A 14 C C6 . 35020 1
324 . 1 . 1 14 14 C N1 N 15 150.1 0.05 . 1 . . . . A 14 C N1 . 35020 1
325 . 1 . 1 14 14 C N3 N 15 196.4 0.05 . 1 . . . . A 14 C N3 . 35020 1
326 . 1 . 1 14 14 C N4 N 15 99.055 0.05 . 1 . . . . A 14 C N4 . 35020 1
327 . 1 . 1 14 14 C P P 31 -1.234 0.05 . 1 . . . . A 14 C P . 35020 1
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