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 52714
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chemical shift list 298 K'
_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' . . . 52714 1
2 '2D 1H-1H NOESY' . . . 52714 1
3 '2D 1H-1H TOCSY' . . . 52714 1
4 '2D 1H-15N TROSY' . . . 52714 1
5 '2D 1H-15N CPMG NOESY' . . . 52714 1
6 '2D 1H-15N HSQC' . . . 52714 1
7 '2D 1H-15N HSQC NH2 only' . . . 52714 1
8 '2D 1H-13C HSQC' . . . 52714 1
9 '2D 1H-13C HSQC' . . . 52714 1
10 '2D 1H-13C HSQC' . . . 52714 1
11 '2D 1H-13C H(N)CO' . . . 52714 1
12 '3D NOESY HSQC' . . . 52714 1
13 '4D CC NOESY' . . . 52714 1
14 '3D (H)CCH-TOCSY' . . . 52714 1
15 '3D (H)CCH-TOCSY' . . . 52714 1
16 '3D H(C)P-CCH-TOCSY' . . . 52714 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 . . 52714 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 5.640 0.003 . . . . . . . 1 G H1' . 52714 1
2 . 1 . 1 1 1 G H2' H 1 4.716 0.009 . . . . . . . 1 G H2' . 52714 1
3 . 1 . 1 1 1 G H3' H 1 4.753 0.012 . . . . . . . 1 G H3' . 52714 1
4 . 1 . 1 1 1 G H4' H 1 4.644 0.000 . . . . . . . 1 G H4' . 52714 1
5 . 1 . 1 1 1 G H5' H 1 4.195 0.000 . . . . . . . 1 G H5' . 52714 1
6 . 1 . 1 1 1 G H5'' H 1 4.168 0.011 . . . . . . . 1 G H5'' . 52714 1
7 . 1 . 1 1 1 G H8 H 1 7.943 0.010 . . . . . . . 1 G H8 . 52714 1
8 . 1 . 1 1 1 G C1' C 13 89.205 0.055 . . . . . . . 1 G C1' . 52714 1
9 . 1 . 1 1 1 G C2' C 13 75.171 0.035 . . . . . . . 1 G C2' . 52714 1
10 . 1 . 1 1 1 G C3' C 13 76.961 0.015 . . . . . . . 1 G C3' . 52714 1
11 . 1 . 1 1 1 G C4' C 13 85.004 0.024 . . . . . . . 1 G C4' . 52714 1
12 . 1 . 1 1 1 G C5' C 13 67.933 0.010 . . . . . . . 1 G C5' . 52714 1
13 . 1 . 1 1 1 G C8 C 13 139.493 0.065 . . . . . . . 1 G C8 . 52714 1
14 . 1 . 1 1 1 G N7 N 15 235.522 0.000 . . . . . . . 1 G N7 . 52714 1
15 . 1 . 1 1 1 G N9 N 15 167.846 0.000 . . . . . . . 1 G N9 . 52714 1
16 . 1 . 1 1 1 G P P 31 -0.469 0.000 . . . . . . . 1 G P . 52714 1
17 . 1 . 1 2 2 G H1' H 1 5.672 0.012 . . . . . . . 2 G H1' . 52714 1
18 . 1 . 1 2 2 G H2' H 1 4.797 0.009 . . . . . . . 2 G H2' . 52714 1
19 . 1 . 1 2 2 G H3' H 1 4.489 0.010 . . . . . . . 2 G H3' . 52714 1
20 . 1 . 1 2 2 G H4' H 1 4.550 0.008 . . . . . . . 2 G H4' . 52714 1
21 . 1 . 1 2 2 G H5' H 1 4.321 0.005 . . . . . . . 2 G H5' . 52714 1
22 . 1 . 1 2 2 G H5'' H 1 4.218 0.009 . . . . . . . 2 G H5'' . 52714 1
23 . 1 . 1 2 2 G H8 H 1 7.982 0.007 . . . . . . . 2 G H8 . 52714 1
24 . 1 . 1 2 2 G C1' C 13 89.249 0.035 . . . . . . . 2 G C1' . 52714 1
25 . 1 . 1 2 2 G C2' C 13 74.532 0.041 . . . . . . . 2 G C2' . 52714 1
26 . 1 . 1 2 2 G C3' C 13 75.703 0.049 . . . . . . . 2 G C3' . 52714 1
27 . 1 . 1 2 2 G C4' C 13 84.326 0.023 . . . . . . . 2 G C4' . 52714 1
28 . 1 . 1 2 2 G C5' C 13 67.696 0.012 . . . . . . . 2 G C5' . 52714 1
29 . 1 . 1 2 2 G C8 C 13 138.453 0.010 . . . . . . . 2 G C8 . 52714 1
30 . 1 . 1 2 2 G N7 N 15 235.683 0.000 . . . . . . . 2 G N7 . 52714 1
31 . 1 . 1 2 2 G P P 31 -0.050 0.000 . . . . . . . 2 G P . 52714 1
32 . 1 . 1 3 3 U H1' H 1 5.720 0.012 . . . . . . . 3 U H1' . 52714 1
33 . 1 . 1 3 3 U H2' H 1 4.810 0.012 . . . . . . . 3 U H2' . 52714 1
34 . 1 . 1 3 3 U H3 H 1 14.275 0.004 . . . . . . . 3 U H3 . 52714 1
35 . 1 . 1 3 3 U H3' H 1 4.401 0.018 . . . . . . . 3 U H3' . 52714 1
36 . 1 . 1 3 3 U H4' H 1 4.562 0.001 . . . . . . . 3 U H4' . 52714 1
37 . 1 . 1 3 3 U H5 H 1 5.245 0.010 . . . . . . . 3 U H5 . 52714 1
38 . 1 . 1 3 3 U H5' H 1 4.438 0.009 . . . . . . . 3 U H5' . 52714 1
39 . 1 . 1 3 3 U H5'' H 1 4.349 0.009 . . . . . . . 3 U H5'' . 52714 1
40 . 1 . 1 3 3 U H6 H 1 7.813 0.006 . . . . . . . 3 U H6 . 52714 1
41 . 1 . 1 3 3 U C1' C 13 94.064 0.021 . . . . . . . 3 U C1' . 52714 1
42 . 1 . 1 3 3 U C2 C 13 150.340 0.000 . . . . . . . 3 U C2 . 52714 1
43 . 1 . 1 3 3 U C2' C 13 74.689 0.047 . . . . . . . 3 U C2' . 52714 1
44 . 1 . 1 3 3 U C3' C 13 73.253 0.035 . . . . . . . 3 U C3' . 52714 1
45 . 1 . 1 3 3 U C4' C 13 83.105 0.041 . . . . . . . 3 U C4' . 52714 1
46 . 1 . 1 3 3 U C5 C 13 103.404 0.000 . . . . . . . 3 U C5 . 52714 1
47 . 1 . 1 3 3 U C5' C 13 66.931 0.008 . . . . . . . 3 U C5' . 52714 1
48 . 1 . 1 3 3 U C6 C 13 142.932 0.004 . . . . . . . 3 U C6 . 52714 1
49 . 1 . 1 3 3 U N3 N 15 162.436 0.000 . . . . . . . 3 U N3 . 52714 1
50 . 1 . 1 3 3 U P P 31 -1.148 0.000 . . . . . . . 3 U P . 52714 1
51 . 1 . 1 4 4 U H1' H 1 5.704 0.003 . . . . . . . 4 U H1' . 52714 1
52 . 1 . 1 4 4 U H2' H 1 4.489 0.013 . . . . . . . 4 U H2' . 52714 1
53 . 1 . 1 4 4 U H3 H 1 13.937 0.006 . . . . . . . 4 U H3 . 52714 1
54 . 1 . 1 4 4 U H3' H 1 4.532 0.008 . . . . . . . 4 U H3' . 52714 1
55 . 1 . 1 4 4 U H4' H 1 4.510 0.012 . . . . . . . 4 U H4' . 52714 1
56 . 1 . 1 4 4 U H5 H 1 5.592 0.006 . . . . . . . 4 U H5 . 52714 1
57 . 1 . 1 4 4 U H5' H 1 4.557 0.005 . . . . . . . 4 U H5' . 52714 1
58 . 1 . 1 4 4 U H5'' H 1 4.180 0.004 . . . . . . . 4 U H5'' . 52714 1
59 . 1 . 1 4 4 U H6 H 1 8.035 0.011 . . . . . . . 4 U H6 . 52714 1
60 . 1 . 1 4 4 U C1' C 13 93.771 0.006 . . . . . . . 4 U C1' . 52714 1
61 . 1 . 1 4 4 U C2 C 13 150.259 0.000 . . . . . . . 4 U C2 . 52714 1
62 . 1 . 1 4 4 U C2' C 13 75.519 0.060 . . . . . . . 4 U C2' . 52714 1
63 . 1 . 1 4 4 U C3' C 13 72.539 0.127 . . . . . . . 4 U C3' . 52714 1
64 . 1 . 1 4 4 U C4 C 13 166.469 0.000 . . . . . . . 4 U C4 . 52714 1
65 . 1 . 1 4 4 U C4' C 13 82.148 0.012 . . . . . . . 4 U C4' . 52714 1
66 . 1 . 1 4 4 U C5 C 13 103.411 0.000 . . . . . . . 4 U C5 . 52714 1
67 . 1 . 1 4 4 U C5' C 13 65.047 0.017 . . . . . . . 4 U C5' . 52714 1
68 . 1 . 1 4 4 U C6 C 13 142.655 0.008 . . . . . . . 4 U C6 . 52714 1
69 . 1 . 1 4 4 U N3 N 15 162.804 0.000 . . . . . . . 4 U N3 . 52714 1
70 . 1 . 1 4 4 U P P 31 -1.133 0.000 . . . . . . . 4 U P . 52714 1
71 . 1 . 1 5 5 U H1' H 1 5.573 0.005 . . . . . . . 5 U H1' . 52714 1
72 . 1 . 1 5 5 U H2' H 1 4.490 0.012 . . . . . . . 5 U H2' . 52714 1
73 . 1 . 1 5 5 U H3 H 1 13.061 0.004 . . . . . . . 5 U H3 . 52714 1
74 . 1 . 1 5 5 U H3' H 1 4.440 0.018 . . . . . . . 5 U H3' . 52714 1
75 . 1 . 1 5 5 U H4' H 1 4.466 0.017 . . . . . . . 5 U H4' . 52714 1
76 . 1 . 1 5 5 U H5 H 1 5.583 0.002 . . . . . . . 5 U H5 . 52714 1
77 . 1 . 1 5 5 U H5' H 1 4.534 0.005 . . . . . . . 5 U H5' . 52714 1
78 . 1 . 1 5 5 U H5'' H 1 4.149 0.000 . . . . . . . 5 U H5'' . 52714 1
79 . 1 . 1 5 5 U H6 H 1 7.929 0.009 . . . . . . . 5 U H6 . 52714 1
80 . 1 . 1 5 5 U C1' C 13 93.411 0.010 . . . . . . . 5 U C1' . 52714 1
81 . 1 . 1 5 5 U C2 C 13 149.840 0.000 . . . . . . . 5 U C2 . 52714 1
82 . 1 . 1 5 5 U C2' C 13 75.276 0.006 . . . . . . . 5 U C2' . 52714 1
83 . 1 . 1 5 5 U C3' C 13 72.536 0.023 . . . . . . . 5 U C3' . 52714 1
84 . 1 . 1 5 5 U C4 C 13 166.411 0.000 . . . . . . . 5 U C4 . 52714 1
85 . 1 . 1 5 5 U C4' C 13 82.092 0.011 . . . . . . . 5 U C4' . 52714 1
86 . 1 . 1 5 5 U C5 C 13 103.878 0.000 . . . . . . . 5 U C5 . 52714 1
87 . 1 . 1 5 5 U C5' C 13 65.123 0.025 . . . . . . . 5 U C5' . 52714 1
88 . 1 . 1 5 5 U C6 C 13 141.906 0.011 . . . . . . . 5 U C6 . 52714 1
89 . 1 . 1 5 5 U N3 N 15 162.334 0.034 . . . . . . . 5 U N3 . 52714 1
90 . 1 . 1 5 5 U P P 31 -1.067 0.001 . . . . . . . 5 U P . 52714 1
91 . 1 . 1 6 6 G H1 H 1 12.317 0.004 . . . . . . . 6 G H1 . 52714 1
92 . 1 . 1 6 6 G H1' H 1 5.710 0.012 . . . . . . . 6 G H1' . 52714 1
93 . 1 . 1 6 6 G H2' H 1 4.549 0.013 . . . . . . . 6 G H2' . 52714 1
94 . 1 . 1 6 6 G H3' H 1 4.569 0.005 . . . . . . . 6 G H3' . 52714 1
95 . 1 . 1 6 6 G H4' H 1 4.447 0.013 . . . . . . . 6 G H4' . 52714 1
96 . 1 . 1 6 6 G H5' H 1 4.501 0.008 . . . . . . . 6 G H5' . 52714 1
97 . 1 . 1 6 6 G H5'' H 1 4.148 0.008 . . . . . . . 6 G H5'' . 52714 1
98 . 1 . 1 6 6 G H8 H 1 7.691 0.007 . . . . . . . 6 G H8 . 52714 1
99 . 1 . 1 6 6 G C1' C 13 92.739 0.015 . . . . . . . 6 G C1' . 52714 1
100 . 1 . 1 6 6 G C2 C 13 153.571 0.000 . . . . . . . 6 G C2 . 52714 1
101 . 1 . 1 6 6 G C2' C 13 75.323 0.011 . . . . . . . 6 G C2' . 52714 1
102 . 1 . 1 6 6 G C3' C 13 72.736 0.108 . . . . . . . 6 G C3' . 52714 1
103 . 1 . 1 6 6 G C4' C 13 81.936 0.008 . . . . . . . 6 G C4' . 52714 1
104 . 1 . 1 6 6 G C5' C 13 65.482 0.001 . . . . . . . 6 G C5' . 52714 1
105 . 1 . 1 6 6 G C6 C 13 158.473 0.000 . . . . . . . 6 G C6 . 52714 1
106 . 1 . 1 6 6 G C8 C 13 136.148 0.016 . . . . . . . 6 G C8 . 52714 1
107 . 1 . 1 6 6 G N1 N 15 147.551 0.011 . . . . . . . 6 G N1 . 52714 1
108 . 1 . 1 6 6 G N7 N 15 234.510 0.000 . . . . . . . 6 G N7 . 52714 1
109 . 1 . 1 6 6 G N9 N 15 169.347 0.000 . . . . . . . 6 G N9 . 52714 1
110 . 1 . 1 6 6 G P P 31 -0.865 0.009 . . . . . . . 6 G P . 52714 1
111 . 1 . 1 7 7 C H1' H 1 5.378 0.005 . . . . . . . 7 C H1' . 52714 1
112 . 1 . 1 7 7 C H2' H 1 4.428 0.015 . . . . . . . 7 C H2' . 52714 1
113 . 1 . 1 7 7 C H3' H 1 4.484 0.020 . . . . . . . 7 C H3' . 52714 1
114 . 1 . 1 7 7 C H4' H 1 4.377 0.013 . . . . . . . 7 C H4' . 52714 1
115 . 1 . 1 7 7 C H5 H 1 5.188 0.005 . . . . . . . 7 C H5 . 52714 1
116 . 1 . 1 7 7 C H5' H 1 4.542 0.006 . . . . . . . 7 C H5' . 52714 1
117 . 1 . 1 7 7 C H5'' H 1 4.084 0.006 . . . . . . . 7 C H5'' . 52714 1
118 . 1 . 1 7 7 C H6 H 1 7.599 0.007 . . . . . . . 7 C H6 . 52714 1
119 . 1 . 1 7 7 C H41 H 1 8.295 0.002 . . . . . . . 7 C H41 . 52714 1
120 . 1 . 1 7 7 C H42 H 1 6.768 0.006 . . . . . . . 7 C H42 . 52714 1
121 . 1 . 1 7 7 C C1' C 13 93.701 0.044 . . . . . . . 7 C C1' . 52714 1
122 . 1 . 1 7 7 C C2' C 13 75.357 0.004 . . . . . . . 7 C C2' . 52714 1
123 . 1 . 1 7 7 C C3' C 13 72.114 0.017 . . . . . . . 7 C C3' . 52714 1
124 . 1 . 1 7 7 C C4' C 13 81.708 0.021 . . . . . . . 7 C C4' . 52714 1
125 . 1 . 1 7 7 C C5 C 13 97.378 0.000 . . . . . . . 7 C C5 . 52714 1
126 . 1 . 1 7 7 C C5' C 13 64.480 0.011 . . . . . . . 7 C C5' . 52714 1
127 . 1 . 1 7 7 C C6 C 13 140.546 0.029 . . . . . . . 7 C C6 . 52714 1
128 . 1 . 1 7 7 C N1 N 15 147.559 0.035 . . . . . . . 7 C N1 . 52714 1
129 . 1 . 1 7 7 C N4 N 15 98.048 0.033 . . . . . . . 7 C N4 . 52714 1
130 . 1 . 1 7 7 C P P 31 -1.197 0.000 . . . . . . . 7 C P . 52714 1
131 . 1 . 1 8 8 A H1' H 1 5.868 0.045 . . . . . . . 8 A H1' . 52714 1
132 . 1 . 1 8 8 A H2 H 1 6.935 0.004 . . . . . . . 8 A H2 . 52714 1
133 . 1 . 1 8 8 A H2' H 1 4.696 0.012 . . . . . . . 8 A H2' . 52714 1
134 . 1 . 1 8 8 A H3' H 1 4.678 0.012 . . . . . . . 8 A H3' . 52714 1
135 . 1 . 1 8 8 A H4' H 1 4.428 0.034 . . . . . . . 8 A H4' . 52714 1
136 . 1 . 1 8 8 A H5' H 1 4.540 0.012 . . . . . . . 8 A H5' . 52714 1
137 . 1 . 1 8 8 A H5'' H 1 4.122 0.013 . . . . . . . 8 A H5'' . 52714 1
138 . 1 . 1 8 8 A H8 H 1 7.925 0.009 . . . . . . . 8 A H8 . 52714 1
139 . 1 . 1 8 8 A C1' C 13 92.814 0.015 . . . . . . . 8 A C1' . 52714 1
140 . 1 . 1 8 8 A C2 C 13 152.397 0.000 . . . . . . . 8 A C2 . 52714 1
141 . 1 . 1 8 8 A C2' C 13 75.768 0.041 . . . . . . . 8 A C2' . 52714 1
142 . 1 . 1 8 8 A C3' C 13 72.653 0.128 . . . . . . . 8 A C3' . 52714 1
143 . 1 . 1 8 8 A C4' C 13 81.806 0.010 . . . . . . . 8 A C4' . 52714 1
144 . 1 . 1 8 8 A C5' C 13 65.110 0.018 . . . . . . . 8 A C5' . 52714 1
145 . 1 . 1 8 8 A C8 C 13 139.353 0.127 . . . . . . . 8 A C8 . 52714 1
146 . 1 . 1 8 8 A N1 N 15 213.341 0.000 . . . . . . . 8 A N1 . 52714 1
147 . 1 . 1 8 8 A N3 N 15 220.237 0.000 . . . . . . . 8 A N3 . 52714 1
148 . 1 . 1 8 8 A N7 N 15 230.691 0.000 . . . . . . . 8 A N7 . 52714 1
149 . 1 . 1 8 8 A N9 N 15 170.560 0.000 . . . . . . . 8 A N9 . 52714 1
150 . 1 . 1 8 8 A P P 31 -0.754 0.020 . . . . . . . 8 A P . 52714 1
151 . 1 . 1 9 9 G H1 H 1 12.745 0.003 . . . . . . . 9 G H1 . 52714 1
152 . 1 . 1 9 9 G H1' H 1 5.577 0.005 . . . . . . . 9 G H1' . 52714 1
153 . 1 . 1 9 9 G H2' H 1 4.583 0.014 . . . . . . . 9 G H2' . 52714 1
154 . 1 . 1 9 9 G H3' H 1 4.426 0.016 . . . . . . . 9 G H3' . 52714 1
155 . 1 . 1 9 9 G H4' H 1 4.393 0.013 . . . . . . . 9 G H4' . 52714 1
156 . 1 . 1 9 9 G H5' H 1 4.432 0.011 . . . . . . . 9 G H5' . 52714 1
157 . 1 . 1 9 9 G H5'' H 1 4.044 0.006 . . . . . . . 9 G H5'' . 52714 1
158 . 1 . 1 9 9 G H8 H 1 7.132 0.006 . . . . . . . 9 G H8 . 52714 1
159 . 1 . 1 9 9 G C1' C 13 92.406 0.009 . . . . . . . 9 G C1' . 52714 1
160 . 1 . 1 9 9 G C2 C 13 153.534 0.000 . . . . . . . 9 G C2 . 52714 1
161 . 1 . 1 9 9 G C2' C 13 75.670 0.055 . . . . . . . 9 G C2' . 52714 1
162 . 1 . 1 9 9 G C3' C 13 72.717 0.105 . . . . . . . 9 G C3' . 52714 1
163 . 1 . 1 9 9 G C4' C 13 81.779 0.006 . . . . . . . 9 G C4' . 52714 1
164 . 1 . 1 9 9 G C5' C 13 65.636 0.011 . . . . . . . 9 G C5' . 52714 1
165 . 1 . 1 9 9 G C6 C 13 158.452 0.000 . . . . . . . 9 G C6 . 52714 1
166 . 1 . 1 9 9 G C8 C 13 135.560 0.019 . . . . . . . 9 G C8 . 52714 1
167 . 1 . 1 9 9 G N1 N 15 147.186 0.000 . . . . . . . 9 G N1 . 52714 1
168 . 1 . 1 9 9 G N7 N 15 234.705 0.000 . . . . . . . 9 G N7 . 52714 1
169 . 1 . 1 9 9 G N9 N 15 169.174 0.000 . . . . . . . 9 G N9 . 52714 1
170 . 1 . 1 9 9 G P P 31 -0.798 0.011 . . . . . . . 9 G P . 52714 1
171 . 1 . 1 10 10 G H1 H 1 12.602 0.009 . . . . . . . 10 G H1 . 52714 1
172 . 1 . 1 10 10 G H1' H 1 5.658 0.008 . . . . . . . 10 G H1' . 52714 1
173 . 1 . 1 10 10 G H2' H 1 4.593 0.017 . . . . . . . 10 G H2' . 52714 1
174 . 1 . 1 10 10 G H3' H 1 4.441 0.002 . . . . . . . 10 G H3' . 52714 1
175 . 1 . 1 10 10 G H4' H 1 4.406 0.013 . . . . . . . 10 G H4' . 52714 1
176 . 1 . 1 10 10 G H5' H 1 4.832 0.579 . . . . . . . 10 G H5' . 52714 1
177 . 1 . 1 10 10 G H5'' H 1 4.025 0.007 . . . . . . . 10 G H5'' . 52714 1
178 . 1 . 1 10 10 G H8 H 1 7.001 0.009 . . . . . . . 10 G H8 . 52714 1
179 . 1 . 1 10 10 G C1' C 13 92.821 0.019 . . . . . . . 10 G C1' . 52714 1
180 . 1 . 1 10 10 G C2 C 13 153.678 0.000 . . . . . . . 10 G C2 . 52714 1
181 . 1 . 1 10 10 G C2' C 13 75.663 0.060 . . . . . . . 10 G C2' . 52714 1
182 . 1 . 1 10 10 G C3' C 13 73.372 0.081 . . . . . . . 10 G C3' . 52714 1
183 . 1 . 1 10 10 G C4' C 13 82.277 0.020 . . . . . . . 10 G C4' . 52714 1
184 . 1 . 1 10 10 G C5' C 13 65.753 0.014 . . . . . . . 10 G C5' . 52714 1
185 . 1 . 1 10 10 G C6 C 13 158.262 0.000 . . . . . . . 10 G C6 . 52714 1
186 . 1 . 1 10 10 G C8 C 13 135.728 0.007 . . . . . . . 10 G C8 . 52714 1
187 . 1 . 1 10 10 G N1 N 15 147.717 0.005 . . . . . . . 10 G N1 . 52714 1
188 . 1 . 1 10 10 G N7 N 15 235.582 0.000 . . . . . . . 10 G N7 . 52714 1
189 . 1 . 1 10 10 G N9 N 15 168.870 0.000 . . . . . . . 10 G N9 . 52714 1
190 . 1 . 1 10 10 G P P 31 -0.716 0.009 . . . . . . . 10 G P . 52714 1
191 . 1 . 1 11 11 A H1' H 1 5.792 0.011 . . . . . . . 11 A H1' . 52714 1
192 . 1 . 1 11 11 A H2 H 1 7.959 0.003 . . . . . . . 11 A H2 . 52714 1
193 . 1 . 1 11 11 A H2' H 1 4.468 0.007 . . . . . . . 11 A H2' . 52714 1
194 . 1 . 1 11 11 A H3' H 1 4.421 0.011 . . . . . . . 11 A H3' . 52714 1
195 . 1 . 1 11 11 A H4' H 1 4.440 0.000 . . . . . . . 11 A H4' . 52714 1
196 . 1 . 1 11 11 A H5' H 1 4.359 0.005 . . . . . . . 11 A H5' . 52714 1
197 . 1 . 1 11 11 A H5'' H 1 4.070 0.012 . . . . . . . 11 A H5'' . 52714 1
198 . 1 . 1 11 11 A H8 H 1 7.785 0.014 . . . . . . . 11 A H8 . 52714 1
199 . 1 . 1 11 11 A C1' C 13 92.725 0.015 . . . . . . . 11 A C1' . 52714 1
200 . 1 . 1 11 11 A C2 C 13 154.421 0.002 . . . . . . . 11 A C2 . 52714 1
201 . 1 . 1 11 11 A C2' C 13 75.472 0.023 . . . . . . . 11 A C2' . 52714 1
202 . 1 . 1 11 11 A C3' C 13 74.087 0.080 . . . . . . . 11 A C3' . 52714 1
203 . 1 . 1 11 11 A C4' C 13 83.300 0.012 . . . . . . . 11 A C4' . 52714 1
204 . 1 . 1 11 11 A C5' C 13 65.976 0.011 . . . . . . . 11 A C5' . 52714 1
205 . 1 . 1 11 11 A C8 C 13 139.801 0.013 . . . . . . . 11 A C8 . 52714 1
206 . 1 . 1 11 11 A N1 N 15 217.369 0.000 . . . . . . . 11 A N1 . 52714 1
207 . 1 . 1 11 11 A N7 N 15 232.394 0.000 . . . . . . . 11 A N7 . 52714 1
208 . 1 . 1 11 11 A N9 N 15 169.861 0.000 . . . . . . . 11 A N9 . 52714 1
209 . 1 . 1 11 11 A P P 31 -0.669 0.002 . . . . . . . 11 A P . 52714 1
210 . 1 . 1 12 12 C H1' H 1 5.673 0.006 . . . . . . . 12 C H1' . 52714 1
211 . 1 . 1 12 12 C H2' H 1 4.056 0.003 . . . . . . . 12 C H2' . 52714 1
212 . 1 . 1 12 12 C H3' H 1 4.390 0.008 . . . . . . . 12 C H3' . 52714 1
213 . 1 . 1 12 12 C H4' H 1 4.046 0.012 . . . . . . . 12 C H4' . 52714 1
214 . 1 . 1 12 12 C H5 H 1 5.532 0.006 . . . . . . . 12 C H5 . 52714 1
215 . 1 . 1 12 12 C H5' H 1 4.089 0.002 . . . . . . . 12 C H5' . 52714 1
216 . 1 . 1 12 12 C H5'' H 1 3.861 0.009 . . . . . . . 12 C H5'' . 52714 1
217 . 1 . 1 12 12 C H6 H 1 7.476 0.012 . . . . . . . 12 C H6 . 52714 1
218 . 1 . 1 12 12 C C1' C 13 90.411 0.013 . . . . . . . 12 C C1' . 52714 1
219 . 1 . 1 12 12 C C2' C 13 76.369 0.022 . . . . . . . 12 C C2' . 52714 1
220 . 1 . 1 12 12 C C3' C 13 77.663 0.043 . . . . . . . 12 C C3' . 52714 1
221 . 1 . 1 12 12 C C4' C 13 84.257 0.012 . . . . . . . 12 C C4' . 52714 1
222 . 1 . 1 12 12 C C5 C 13 98.578 0.000 . . . . . . . 12 C C5 . 52714 1
223 . 1 . 1 12 12 C C5' C 13 67.078 0.006 . . . . . . . 12 C C5' . 52714 1
224 . 1 . 1 12 12 C C6 C 13 142.612 0.007 . . . . . . . 12 C C6 . 52714 1
225 . 1 . 1 12 12 C P P 31 -1.025 0.000 . . . . . . . 12 C P . 52714 1
226 . 1 . 1 13 13 G H1' H 1 5.597 0.004 . . . . . . . 13 G H1' . 52714 1
227 . 1 . 1 13 13 G H2' H 1 4.521 0.006 . . . . . . . 13 G H2' . 52714 1
228 . 1 . 1 13 13 G H3' H 1 4.653 0.009 . . . . . . . 13 G H3' . 52714 1
229 . 1 . 1 13 13 G H4' H 1 4.352 0.009 . . . . . . . 13 G H4' . 52714 1
230 . 1 . 1 13 13 G H5' H 1 3.944 0.013 . . . . . . . 13 G H5' . 52714 1
231 . 1 . 1 13 13 G H5'' H 1 3.944 0.013 . . . . . . . 13 G H5'' . 52714 1
232 . 1 . 1 13 13 G H8 H 1 7.774 0.002 . . . . . . . 13 G H8 . 52714 1
233 . 1 . 1 13 13 G C1' C 13 90.170 0.026 . . . . . . . 13 G C1' . 52714 1
234 . 1 . 1 13 13 G C2' C 13 76.003 0.702 . . . . . . . 13 G C2' . 52714 1
235 . 1 . 1 13 13 G C3' C 13 77.052 0.021 . . . . . . . 13 G C3' . 52714 1
236 . 1 . 1 13 13 G C4' C 13 84.882 0.008 . . . . . . . 13 G C4' . 52714 1
237 . 1 . 1 13 13 G C5' C 13 68.046 0.009 . . . . . . . 13 G C5' . 52714 1
238 . 1 . 1 13 13 G C8 C 13 139.396 0.072 . . . . . . . 13 G C8 . 52714 1
239 . 1 . 1 13 13 G N7 N 15 235.262 0.000 . . . . . . . 13 G N7 . 52714 1
240 . 1 . 1 13 13 G N9 N 15 168.122 0.000 . . . . . . . 13 G N9 . 52714 1
241 . 1 . 1 13 13 G P P 31 -0.649 0.002 . . . . . . . 13 G P . 52714 1
242 . 1 . 1 14 14 A H1' H 1 6.140 0.006 . . . . . . . 14 A H1' . 52714 1
243 . 1 . 1 14 14 A H2 H 1 8.207 0.008 . . . . . . . 14 A H2 . 52714 1
244 . 1 . 1 14 14 A H2' H 1 4.831 0.004 . . . . . . . 14 A H2' . 52714 1
245 . 1 . 1 14 14 A H3' H 1 4.901 0.012 . . . . . . . 14 A H3' . 52714 1
246 . 1 . 1 14 14 A H4' H 1 4.479 0.003 . . . . . . . 14 A H4' . 52714 1
247 . 1 . 1 14 14 A H5' H 1 4.338 0.013 . . . . . . . 14 A H5' . 52714 1
248 . 1 . 1 14 14 A H5'' H 1 4.259 0.014 . . . . . . . 14 A H5'' . 52714 1
249 . 1 . 1 14 14 A H8 H 1 8.439 0.009 . . . . . . . 14 A H8 . 52714 1
250 . 1 . 1 14 14 A C1' C 13 89.872 0.027 . . . . . . . 14 A C1' . 52714 1
251 . 1 . 1 14 14 A C2 C 13 155.470 0.002 . . . . . . . 14 A C2 . 52714 1
252 . 1 . 1 14 14 A C2' C 13 76.487 0.047 . . . . . . . 14 A C2' . 52714 1
253 . 1 . 1 14 14 A C3' C 13 76.944 0.011 . . . . . . . 14 A C3' . 52714 1
254 . 1 . 1 14 14 A C4' C 13 84.968 0.018 . . . . . . . 14 A C4' . 52714 1
255 . 1 . 1 14 14 A C5' C 13 67.834 0.013 . . . . . . . 14 A C5' . 52714 1
256 . 1 . 1 14 14 A C8 C 13 142.135 0.063 . . . . . . . 14 A C8 . 52714 1
257 . 1 . 1 14 14 A N1 N 15 217.054 0.000 . . . . . . . 14 A N1 . 52714 1
258 . 1 . 1 14 14 A N3 N 15 225.641 0.000 . . . . . . . 14 A N3 . 52714 1
259 . 1 . 1 14 14 A N7 N 15 233.370 0.000 . . . . . . . 14 A N7 . 52714 1
260 . 1 . 1 14 14 A N9 N 15 168.745 0.000 . . . . . . . 14 A N9 . 52714 1
261 . 1 . 1 14 14 A P P 31 -0.941 0.003 . . . . . . . 14 A P . 52714 1
262 . 1 . 1 15 15 C H1' H 1 5.318 0.009 . . . . . . . 15 C H1' . 52714 1
263 . 1 . 1 15 15 C H2' H 1 4.621 0.014 . . . . . . . 15 C H2' . 52714 1
264 . 1 . 1 15 15 C H3' H 1 4.295 0.011 . . . . . . . 15 C H3' . 52714 1
265 . 1 . 1 15 15 C H4' H 1 4.516 0.014 . . . . . . . 15 C H4' . 52714 1
266 . 1 . 1 15 15 C H5 H 1 5.994 0.004 . . . . . . . 15 C H5 . 52714 1
267 . 1 . 1 15 15 C H5' H 1 4.369 0.002 . . . . . . . 15 C H5' . 52714 1
268 . 1 . 1 15 15 C H5'' H 1 4.306 0.004 . . . . . . . 15 C H5'' . 52714 1
269 . 1 . 1 15 15 C H6 H 1 7.872 0.013 . . . . . . . 15 C H6 . 52714 1
270 . 1 . 1 15 15 C H41 H 1 8.410 0.012 . . . . . . . 15 C H41 . 52714 1
271 . 1 . 1 15 15 C H42 H 1 7.014 0.006 . . . . . . . 15 C H42 . 52714 1
272 . 1 . 1 15 15 C C1' C 13 94.474 0.023 . . . . . . . 15 C C1' . 52714 1
273 . 1 . 1 15 15 C C2' C 13 75.067 0.038 . . . . . . . 15 C C2' . 52714 1
274 . 1 . 1 15 15 C C3' C 13 74.492 0.011 . . . . . . . 15 C C3' . 52714 1
275 . 1 . 1 15 15 C C4' C 13 82.974 0.029 . . . . . . . 15 C C4' . 52714 1
276 . 1 . 1 15 15 C C5 C 13 98.821 0.000 . . . . . . . 15 C C5 . 52714 1
277 . 1 . 1 15 15 C C5' C 13 68.570 0.006 . . . . . . . 15 C C5' . 52714 1
278 . 1 . 1 15 15 C C6 C 13 142.330 0.013 . . . . . . . 15 C C6 . 52714 1
279 . 1 . 1 15 15 C N1 N 15 147.635 0.029 . . . . . . . 15 C N1 . 52714 1
280 . 1 . 1 15 15 C N4 N 15 96.433 0.066 . . . . . . . 15 C N4 . 52714 1
281 . 1 . 1 15 15 C P P 31 -0.230 0.000 . . . . . . . 15 C P . 52714 1
282 . 1 . 1 16 16 C H1' H 1 5.478 0.023 . . . . . . . 16 C H1' . 52714 1
283 . 1 . 1 16 16 C H2' H 1 4.468 0.014 . . . . . . . 16 C H2' . 52714 1
284 . 1 . 1 16 16 C H3' H 1 4.437 0.017 . . . . . . . 16 C H3' . 52714 1
285 . 1 . 1 16 16 C H4' H 1 4.453 0.016 . . . . . . . 16 C H4' . 52714 1
286 . 1 . 1 16 16 C H5 H 1 5.603 0.002 . . . . . . . 16 C H5 . 52714 1
287 . 1 . 1 16 16 C H5' H 1 4.520 0.011 . . . . . . . 16 C H5' . 52714 1
288 . 1 . 1 16 16 C H5'' H 1 4.119 0.000 . . . . . . . 16 C H5'' . 52714 1
289 . 1 . 1 16 16 C H6 H 1 7.787 0.032 . . . . . . . 16 C H6 . 52714 1
290 . 1 . 1 16 16 C H41 H 1 8.440 0.005 . . . . . . . 16 C H41 . 52714 1
291 . 1 . 1 16 16 C H42 H 1 6.862 0.006 . . . . . . . 16 C H42 . 52714 1
292 . 1 . 1 16 16 C C1' C 13 94.662 0.881 . . . . . . . 16 C C1' . 52714 1
293 . 1 . 1 16 16 C C2' C 13 75.389 0.024 . . . . . . . 16 C C2' . 52714 1
294 . 1 . 1 16 16 C C3' C 13 72.461 0.103 . . . . . . . 16 C C3' . 52714 1
295 . 1 . 1 16 16 C C4' C 13 82.008 0.019 . . . . . . . 16 C C4' . 52714 1
296 . 1 . 1 16 16 C C5 C 13 97.993 0.000 . . . . . . . 16 C C5 . 52714 1
297 . 1 . 1 16 16 C C5' C 13 65.212 0.001 . . . . . . . 16 C C5' . 52714 1
298 . 1 . 1 16 16 C C6 C 13 141.655 0.009 . . . . . . . 16 C C6 . 52714 1
299 . 1 . 1 16 16 C N1 N 15 147.194 0.048 . . . . . . . 16 C N1 . 52714 1
300 . 1 . 1 16 16 C N4 N 15 97.298 0.036 . . . . . . . 16 C N4 . 52714 1
301 . 1 . 1 16 16 C P P 31 -1.126 0.010 . . . . . . . 16 C P . 52714 1
302 . 1 . 1 17 17 U H1' H 1 5.480 0.027 . . . . . . . 17 U H1' . 52714 1
303 . 1 . 1 17 17 U H2' H 1 4.609 0.012 . . . . . . . 17 U H2' . 52714 1
304 . 1 . 1 17 17 U H3 H 1 13.427 0.003 . . . . . . . 17 U H3 . 52714 1
305 . 1 . 1 17 17 U H3' H 1 4.614 0.010 . . . . . . . 17 U H3' . 52714 1
306 . 1 . 1 17 17 U H4' H 1 4.470 0.015 . . . . . . . 17 U H4' . 52714 1
307 . 1 . 1 17 17 U H5 H 1 5.426 0.042 . . . . . . . 17 U H5 . 52714 1
308 . 1 . 1 17 17 U H5' H 1 4.573 0.011 . . . . . . . 17 U H5' . 52714 1
309 . 1 . 1 17 17 U H5'' H 1 4.124 0.013 . . . . . . . 17 U H5'' . 52714 1
310 . 1 . 1 17 17 U H6 H 1 7.856 0.022 . . . . . . . 17 U H6 . 52714 1
311 . 1 . 1 17 17 U C1' C 13 93.648 0.027 . . . . . . . 17 U C1' . 52714 1
312 . 1 . 1 17 17 U C2 C 13 150.023 0.000 . . . . . . . 17 U C2 . 52714 1
313 . 1 . 1 17 17 U C2' C 13 75.043 0.094 . . . . . . . 17 U C2' . 52714 1
314 . 1 . 1 17 17 U C3' C 13 72.296 0.097 . . . . . . . 17 U C3' . 52714 1
315 . 1 . 1 17 17 U C4 C 13 166.767 0.000 . . . . . . . 17 U C4 . 52714 1
316 . 1 . 1 17 17 U C4' C 13 82.001 0.014 . . . . . . . 17 U C4' . 52714 1
317 . 1 . 1 17 17 U C5 C 13 103.623 0.000 . . . . . . . 17 U C5 . 52714 1
318 . 1 . 1 17 17 U C5' C 13 64.625 0.004 . . . . . . . 17 U C5' . 52714 1
319 . 1 . 1 17 17 U C6 C 13 141.733 0.012 . . . . . . . 17 U C6 . 52714 1
320 . 1 . 1 17 17 U N3 N 15 162.084 0.011 . . . . . . . 17 U N3 . 52714 1
321 . 1 . 1 17 17 U P P 31 -1.123 0.018 . . . . . . . 17 U P . 52714 1
322 . 1 . 1 18 18 G H1 H 1 12.393 0.003 . . . . . . . 18 G H1 . 52714 1
323 . 1 . 1 18 18 G H1' H 1 5.723 0.019 . . . . . . . 18 G H1' . 52714 1
324 . 1 . 1 18 18 G H2' H 1 4.534 0.013 . . . . . . . 18 G H2' . 52714 1
325 . 1 . 1 18 18 G H3' H 1 4.585 0.013 . . . . . . . 18 G H3' . 52714 1
326 . 1 . 1 18 18 G H4' H 1 4.458 0.014 . . . . . . . 18 G H4' . 52714 1
327 . 1 . 1 18 18 G H5' H 1 4.521 0.014 . . . . . . . 18 G H5' . 52714 1
328 . 1 . 1 18 18 G H5'' H 1 4.124 0.011 . . . . . . . 18 G H5'' . 52714 1
329 . 1 . 1 18 18 G H8 H 1 7.711 0.009 . . . . . . . 18 G H8 . 52714 1
330 . 1 . 1 18 18 G C1' C 13 92.707 0.014 . . . . . . . 18 G C1' . 52714 1
331 . 1 . 1 18 18 G C2 C 13 153.569 0.000 . . . . . . . 18 G C2 . 52714 1
332 . 1 . 1 18 18 G C2' C 13 75.349 0.003 . . . . . . . 18 G C2' . 52714 1
333 . 1 . 1 18 18 G C3' C 13 72.707 0.127 . . . . . . . 18 G C3' . 52714 1
334 . 1 . 1 18 18 G C4' C 13 81.907 0.004 . . . . . . . 18 G C4' . 52714 1
335 . 1 . 1 18 18 G C5' C 13 65.382 0.010 . . . . . . . 18 G C5' . 52714 1
336 . 1 . 1 18 18 G C6 C 13 158.536 0.000 . . . . . . . 18 G C6 . 52714 1
337 . 1 . 1 18 18 G C8 C 13 136.148 0.016 . . . . . . . 18 G C8 . 52714 1
338 . 1 . 1 18 18 G N1 N 15 147.602 0.011 . . . . . . . 18 G N1 . 52714 1
339 . 1 . 1 18 18 G N7 N 15 234.375 0.000 . . . . . . . 18 G N7 . 52714 1
340 . 1 . 1 18 18 G N9 N 15 169.308 0.000 . . . . . . . 18 G N9 . 52714 1
341 . 1 . 1 18 18 G P P 31 -0.872 0.005 . . . . . . . 18 G P . 52714 1
342 . 1 . 1 19 19 C H1' H 1 5.372 0.008 . . . . . . . 19 C H1' . 52714 1
343 . 1 . 1 19 19 C H2' H 1 4.428 0.015 . . . . . . . 19 C H2' . 52714 1
344 . 1 . 1 19 19 C H3' H 1 4.484 0.020 . . . . . . . 19 C H3' . 52714 1
345 . 1 . 1 19 19 C H4' H 1 4.377 0.013 . . . . . . . 19 C H4' . 52714 1
346 . 1 . 1 19 19 C H5 H 1 5.202 0.008 . . . . . . . 19 C H5 . 52714 1
347 . 1 . 1 19 19 C H5' H 1 4.542 0.006 . . . . . . . 19 C H5' . 52714 1
348 . 1 . 1 19 19 C H5'' H 1 4.084 0.006 . . . . . . . 19 C H5'' . 52714 1
349 . 1 . 1 19 19 C H6 H 1 7.596 0.009 . . . . . . . 19 C H6 . 52714 1
350 . 1 . 1 19 19 C H41 H 1 8.242 0.004 . . . . . . . 19 C H41 . 52714 1
351 . 1 . 1 19 19 C H42 H 1 6.784 0.006 . . . . . . . 19 C H42 . 52714 1
352 . 1 . 1 19 19 C C1' C 13 93.668 0.013 . . . . . . . 19 C C1' . 52714 1
353 . 1 . 1 19 19 C C2' C 13 75.357 0.004 . . . . . . . 19 C C2' . 52714 1
354 . 1 . 1 19 19 C C3' C 13 72.114 0.017 . . . . . . . 19 C C3' . 52714 1
355 . 1 . 1 19 19 C C4' C 13 81.708 0.021 . . . . . . . 19 C C4' . 52714 1
356 . 1 . 1 19 19 C C5 C 13 97.425 0.000 . . . . . . . 19 C C5 . 52714 1
357 . 1 . 1 19 19 C C5' C 13 64.480 0.011 . . . . . . . 19 C C5' . 52714 1
358 . 1 . 1 19 19 C C6 C 13 140.558 0.042 . . . . . . . 19 C C6 . 52714 1
359 . 1 . 1 19 19 C N1 N 15 147.515 0.034 . . . . . . . 19 C N1 . 52714 1
360 . 1 . 1 19 19 C N4 N 15 98.066 0.031 . . . . . . . 19 C N4 . 52714 1
361 . 1 . 1 19 19 C P P 31 -1.214 0.009 . . . . . . . 19 C P . 52714 1
362 . 1 . 1 20 20 A H1' H 1 5.802 0.079 . . . . . . . 20 A H1' . 52714 1
363 . 1 . 1 20 20 A H2 H 1 6.594 0.004 . . . . . . . 20 A H2 . 52714 1
364 . 1 . 1 20 20 A H2' H 1 4.454 0.013 . . . . . . . 20 A H2' . 52714 1
365 . 1 . 1 20 20 A H3' H 1 4.670 0.006 . . . . . . . 20 A H3' . 52714 1
366 . 1 . 1 20 20 A H4' H 1 4.466 0.012 . . . . . . . 20 A H4' . 52714 1
367 . 1 . 1 20 20 A H5' H 1 4.513 0.009 . . . . . . . 20 A H5' . 52714 1
368 . 1 . 1 20 20 A H5'' H 1 4.131 0.013 . . . . . . . 20 A H5'' . 52714 1
369 . 1 . 1 20 20 A H8 H 1 7.882 0.004 . . . . . . . 20 A H8 . 52714 1
370 . 1 . 1 20 20 A C1' C 13 93.143 0.203 . . . . . . . 20 A C1' . 52714 1
371 . 1 . 1 20 20 A C2 C 13 151.934 0.002 . . . . . . . 20 A C2 . 52714 1
372 . 1 . 1 20 20 A C2' C 13 75.524 0.047 . . . . . . . 20 A C2' . 52714 1
373 . 1 . 1 20 20 A C3' C 13 72.967 0.119 . . . . . . . 20 A C3' . 52714 1
374 . 1 . 1 20 20 A C4' C 13 81.979 0.007 . . . . . . . 20 A C4' . 52714 1
375 . 1 . 1 20 20 A C5' C 13 65.448 0.002 . . . . . . . 20 A C5' . 52714 1
376 . 1 . 1 20 20 A C8 C 13 139.415 0.014 . . . . . . . 20 A C8 . 52714 1
377 . 1 . 1 20 20 A N1 N 15 213.273 0.000 . . . . . . . 20 A N1 . 52714 1
378 . 1 . 1 20 20 A N3 N 15 220.117 0.000 . . . . . . . 20 A N3 . 52714 1
379 . 1 . 1 20 20 A N7 N 15 230.758 0.000 . . . . . . . 20 A N7 . 52714 1
380 . 1 . 1 20 20 A N9 N 15 170.201 0.000 . . . . . . . 20 A N9 . 52714 1
381 . 1 . 1 20 20 A P P 31 -0.693 0.025 . . . . . . . 20 A P . 52714 1
382 . 1 . 1 21 21 A H1' H 1 5.723 0.017 . . . . . . . 21 A H1' . 52714 1
383 . 1 . 1 21 21 A H2 H 1 7.086 0.005 . . . . . . . 21 A H2 . 52714 1
384 . 1 . 1 21 21 A H2' H 1 4.430 0.004 . . . . . . . 21 A H2' . 52714 1
385 . 1 . 1 21 21 A H3' H 1 4.585 0.012 . . . . . . . 21 A H3' . 52714 1
386 . 1 . 1 21 21 A H4' H 1 4.551 0.006 . . . . . . . 21 A H4' . 52714 1
387 . 1 . 1 21 21 A H5' H 1 4.542 0.000 . . . . . . . 21 A H5' . 52714 1
388 . 1 . 1 21 21 A H5'' H 1 4.120 0.015 . . . . . . . 21 A H5'' . 52714 1
389 . 1 . 1 21 21 A H8 H 1 7.671 0.017 . . . . . . . 21 A H8 . 52714 1
390 . 1 . 1 21 21 A C1' C 13 92.953 0.027 . . . . . . . 21 A C1' . 52714 1
391 . 1 . 1 21 21 A C2 C 13 152.665 0.003 . . . . . . . 21 A C2 . 52714 1
392 . 1 . 1 21 21 A C2' C 13 75.502 0.026 . . . . . . . 21 A C2' . 52714 1
393 . 1 . 1 21 21 A C3' C 13 72.468 0.029 . . . . . . . 21 A C3' . 52714 1
394 . 1 . 1 21 21 A C4' C 13 82.030 0.022 . . . . . . . 21 A C4' . 52714 1
395 . 1 . 1 21 21 A C5' C 13 65.250 0.010 . . . . . . . 21 A C5' . 52714 1
396 . 1 . 1 21 21 A C8 C 13 139.174 0.025 . . . . . . . 21 A C8 . 52714 1
397 . 1 . 1 21 21 A N1 N 15 211.795 0.000 . . . . . . . 21 A N1 . 52714 1
398 . 1 . 1 21 21 A N3 N 15 220.414 0.000 . . . . . . . 21 A N3 . 52714 1
399 . 1 . 1 21 21 A N7 N 15 230.265 0.000 . . . . . . . 21 A N7 . 52714 1
400 . 1 . 1 21 21 A N9 N 15 170.271 0.000 . . . . . . . 21 A N9 . 52714 1
401 . 1 . 1 21 21 A P P 31 -0.929 0.003 . . . . . . . 21 A P . 52714 1
402 . 1 . 1 22 22 A H1' H 1 5.909 0.003 . . . . . . . 22 A H1' . 52714 1
403 . 1 . 1 22 22 A H2 H 1 7.821 0.021 . . . . . . . 22 A H2 . 52714 1
404 . 1 . 1 22 22 A H2' H 1 4.202 0.006 . . . . . . . 22 A H2' . 52714 1
405 . 1 . 1 22 22 A H3' H 1 4.476 0.014 . . . . . . . 22 A H3' . 52714 1
406 . 1 . 1 22 22 A H4' H 1 4.428 0.009 . . . . . . . 22 A H4' . 52714 1
407 . 1 . 1 22 22 A H5' H 1 4.591 0.020 . . . . . . . 22 A H5' . 52714 1
408 . 1 . 1 22 22 A H5'' H 1 4.098 0.028 . . . . . . . 22 A H5'' . 52714 1
409 . 1 . 1 22 22 A H8 H 1 7.777 0.028 . . . . . . . 22 A H8 . 52714 1
410 . 1 . 1 22 22 A C1' C 13 93.062 0.009 . . . . . . . 22 A C1' . 52714 1
411 . 1 . 1 22 22 A C2 C 13 154.297 0.002 . . . . . . . 22 A C2 . 52714 1
412 . 1 . 1 22 22 A C2' C 13 75.852 0.020 . . . . . . . 22 A C2' . 52714 1
413 . 1 . 1 22 22 A C3' C 13 72.138 0.082 . . . . . . . 22 A C3' . 52714 1
414 . 1 . 1 22 22 A C4' C 13 82.236 0.011 . . . . . . . 22 A C4' . 52714 1
415 . 1 . 1 22 22 A C5' C 13 64.547 0.017 . . . . . . . 22 A C5' . 52714 1
416 . 1 . 1 22 22 A C8 C 13 139.096 0.029 . . . . . . . 22 A C8 . 52714 1
417 . 1 . 1 22 22 A N1 N 15 211.688 0.000 . . . . . . . 22 A N1 . 52714 1
418 . 1 . 1 22 22 A N3 N 15 221.632 0.000 . . . . . . . 22 A N3 . 52714 1
419 . 1 . 1 22 22 A N7 N 15 230.841 0.000 . . . . . . . 22 A N7 . 52714 1
420 . 1 . 1 22 22 A N9 N 15 171.166 0.000 . . . . . . . 22 A N9 . 52714 1
421 . 1 . 1 22 22 A P P 31 -1.216 0.004 . . . . . . . 22 A P . 52714 1
422 . 1 . 1 23 23 C H1' H 1 6.035 0.004 . . . . . . . 23 C H1' . 52714 1
423 . 1 . 1 23 23 C H2' H 1 4.600 0.002 . . . . . . . 23 C H2' . 52714 1
424 . 1 . 1 23 23 C H3' H 1 4.916 0.007 . . . . . . . 23 C H3' . 52714 1
425 . 1 . 1 23 23 C H4' H 1 4.380 0.006 . . . . . . . 23 C H4' . 52714 1
426 . 1 . 1 23 23 C H5 H 1 5.310 0.012 . . . . . . . 23 C H5 . 52714 1
427 . 1 . 1 23 23 C H5' H 1 4.457 0.018 . . . . . . . 23 C H5' . 52714 1
428 . 1 . 1 23 23 C H5'' H 1 4.063 0.003 . . . . . . . 23 C H5'' . 52714 1
429 . 1 . 1 23 23 C H6 H 1 7.143 0.003 . . . . . . . 23 C H6 . 52714 1
430 . 1 . 1 23 23 C H41 H 1 8.209 0.007 . . . . . . . 23 C H41 . 52714 1
431 . 1 . 1 23 23 C H42 H 1 6.942 0.001 . . . . . . . 23 C H42 . 52714 1
432 . 1 . 1 23 23 C C1' C 13 91.502 0.051 . . . . . . . 23 C C1' . 52714 1
433 . 1 . 1 23 23 C C2' C 13 84.698 0.059 . . . . . . . 23 C C2' . 52714 1
434 . 1 . 1 23 23 C C3' C 13 78.141 0.032 . . . . . . . 23 C C3' . 52714 1
435 . 1 . 1 23 23 C C4' C 13 85.447 0.125 . . . . . . . 23 C C4' . 52714 1
436 . 1 . 1 23 23 C C5 C 13 99.318 0.000 . . . . . . . 23 C C5 . 52714 1
437 . 1 . 1 23 23 C C5' C 13 65.860 0.003 . . . . . . . 23 C C5' . 52714 1
438 . 1 . 1 23 23 C C6 C 13 141.257 0.010 . . . . . . . 23 C C6 . 52714 1
439 . 1 . 1 23 23 C N4 N 15 97.761 0.004 . . . . . . . 23 C N4 . 52714 1
440 . 1 . 1 23 23 C P P 31 -1.126 0.004 . . . . . . . 23 C P . 52714 1
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