save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17436
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $D2O_samples
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $DSS
_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' . . . 17436 1
2 '2D 1H-1H NOESY' . . . 17436 1
4 '2D 1H-13C HSQC' . . . 17436 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 12.533 0.001 . 1 . . . A 1 G H1 . 17436 1
2 . 1 1 1 1 G H1' H 1 5.824 0.026 . 1 . . . A 1 G H1' . 17436 1
3 . 1 1 1 1 G H2' H 1 4.909 0.003 . 1 . . . A 1 G H2' . 17436 1
4 . 1 1 1 1 G H3' H 1 4.695 0.004 . 1 . . . A 1 G H3' . 17436 1
5 . 1 1 1 1 G H4' H 1 4.550 0.000 . 1 . . . A 1 G H4' . 17436 1
6 . 1 1 1 1 G H5' H 1 4.429 0.002 . 2 . . . A 1 G H5' . 17436 1
7 . 1 1 1 1 G H5'' H 1 4.264 0.003 . 2 . . . A 1 G H5'' . 17436 1
8 . 1 1 1 1 G H8 H 1 8.117 0.050 . 1 . . . A 1 G H8 . 17436 1
9 . 1 1 1 1 G H22 H 1 5.963 0.000 . 2 . . . A 1 G H22 . 17436 1
10 . 1 1 1 1 G C1' C 13 92.651 0.067 . 1 . . . A 1 G C1' . 17436 1
11 . 1 1 1 1 G C8 C 13 139.381 0.016 . 1 . . . A 1 G C8 . 17436 1
12 . 1 1 2 2 G H1 H 1 12.703 0.003 . 1 . . . A 2 G H1 . 17436 1
13 . 1 1 2 2 G H1' H 1 5.931 0.022 . 1 . . . A 2 G H1' . 17436 1
14 . 1 1 2 2 G H2' H 1 4.651 0.071 . 1 . . . A 2 G H2' . 17436 1
15 . 1 1 2 2 G H3' H 1 4.608 0.076 . 1 . . . A 2 G H3' . 17436 1
16 . 1 1 2 2 G H4' H 1 4.485 0.001 . 1 . . . A 2 G H4' . 17436 1
17 . 1 1 2 2 G H5' H 1 4.474 0.000 . 2 . . . A 2 G H5' . 17436 1
18 . 1 1 2 2 G H5'' H 1 4.273 0.000 . 2 . . . A 2 G H5'' . 17436 1
19 . 1 1 2 2 G H8 H 1 7.540 0.013 . 1 . . . A 2 G H8 . 17436 1
20 . 1 1 2 2 G H21 H 1 8.272 0.000 . 2 . . . A 2 G H21 . 17436 1
21 . 1 1 2 2 G H22 H 1 5.972 0.000 . 2 . . . A 2 G H22 . 17436 1
22 . 1 1 2 2 G C1' C 13 93.208 0.010 . 1 . . . A 2 G C1' . 17436 1
23 . 1 1 3 3 G H1 H 1 12.195 0.004 . 1 . . . A 3 G H1 . 17436 1
24 . 1 1 3 3 G H1' H 1 5.767 0.002 . 1 . . . A 3 G H1' . 17436 1
25 . 1 1 3 3 G H2' H 1 4.617 0.004 . 1 . . . A 3 G H2' . 17436 1
26 . 1 1 3 3 G H3' H 1 4.555 0.101 . 1 . . . A 3 G H3' . 17436 1
27 . 1 1 3 3 G H4' H 1 4.488 0.000 . 1 . . . A 3 G H4' . 17436 1
28 . 1 1 3 3 G H5' H 1 4.079 0.000 . 2 . . . A 3 G H5' . 17436 1
29 . 1 1 3 3 G H8 H 1 7.165 0.043 . 1 . . . A 3 G H8 . 17436 1
30 . 1 1 3 3 G H21 H 1 7.955 0.000 . 2 . . . A 3 G H21 . 17436 1
31 . 1 1 3 3 G C8 C 13 136.486 0.063 . 1 . . . A 3 G C8 . 17436 1
32 . 1 1 4 4 A H1' H 1 5.901 0.004 . 1 . . . A 4 A H1' . 17436 1
33 . 1 1 4 4 A H2 H 1 7.110 0.015 . 1 . . . A 4 A H2 . 17436 1
34 . 1 1 4 4 A H2' H 1 4.622 0.013 . 1 . . . A 4 A H2' . 17436 1
35 . 1 1 4 4 A H3' H 1 4.522 0.000 . 1 . . . A 4 A H3' . 17436 1
36 . 1 1 4 4 A H4' H 1 4.491 0.000 . 1 . . . A 4 A H4' . 17436 1
37 . 1 1 4 4 A H5' H 1 4.100 0.000 . 2 . . . A 4 A H5' . 17436 1
38 . 1 1 4 4 A H8 H 1 7.607 0.009 . 1 . . . A 4 A H8 . 17436 1
39 . 1 1 4 4 A H61 H 1 7.809 0.000 . 2 . . . A 4 A H61 . 17436 1
40 . 1 1 5 5 A H1' H 1 5.850 0.010 . 1 . . . A 5 A H1' . 17436 1
41 . 1 1 5 5 A H2 H 1 7.437 0.016 . 1 . . . A 5 A H2 . 17436 1
42 . 1 1 5 5 A H2' H 1 4.622 0.013 . 1 . . . A 5 A H2' . 17436 1
43 . 1 1 5 5 A H3' H 1 4.532 0.010 . 1 . . . A 5 A H3' . 17436 1
44 . 1 1 5 5 A H4' H 1 4.472 0.000 . 1 . . . A 5 A H4' . 17436 1
45 . 1 1 5 5 A H5' H 1 4.088 0.000 . 2 . . . A 5 A H5' . 17436 1
46 . 1 1 5 5 A H8 H 1 7.594 0.004 . 1 . . . A 5 A H8 . 17436 1
47 . 1 1 5 5 A H61 H 1 7.911 0.002 . 2 . . . A 5 A H61 . 17436 1
48 . 1 1 5 5 A H62 H 1 6.568 0.000 . 2 . . . A 5 A H62 . 17436 1
49 . 1 1 6 6 G H1 H 1 12.658 0.002 . 1 . . . A 6 G H1 . 17436 1
50 . 1 1 6 6 G H1' H 1 5.511 0.031 . 1 . . . A 6 G H1' . 17436 1
51 . 1 1 6 6 G H2' H 1 4.489 0.005 . 1 . . . A 6 G H2' . 17436 1
52 . 1 1 6 6 G H3' H 1 4.393 0.000 . 1 . . . A 6 G H3' . 17436 1
53 . 1 1 6 6 G H4' H 1 4.448 0.002 . 1 . . . A 6 G H4' . 17436 1
54 . 1 1 6 6 G H5' H 1 4.017 0.002 . 2 . . . A 6 G H5' . 17436 1
55 . 1 1 6 6 G H8 H 1 7.011 0.005 . 1 . . . A 6 G H8 . 17436 1
56 . 1 1 6 6 G H21 H 1 8.049 0.002 . 2 . . . A 6 G H21 . 17436 1
57 . 1 1 6 6 G H22 H 1 6.105 0.006 . 2 . . . A 6 G H22 . 17436 1
58 . 1 1 6 6 G C1' C 13 93.030 0.048 . 1 . . . A 6 G C1' . 17436 1
59 . 1 1 7 7 A H1' H 1 5.973 0.026 . 1 . . . A 7 A H1' . 17436 1
60 . 1 1 7 7 A H2 H 1 7.895 0.051 . 1 . . . A 7 A H2 . 17436 1
61 . 1 1 7 7 A H2' H 1 4.429 0.014 . 1 . . . A 7 A H2' . 17436 1
62 . 1 1 7 7 A H3' H 1 4.580 0.016 . 1 . . . A 7 A H3' . 17436 1
63 . 1 1 7 7 A H4' H 1 4.487 0.037 . 1 . . . A 7 A H4' . 17436 1
64 . 1 1 7 7 A H5'' H 1 4.106 0.000 . 2 . . . A 7 A H5'' . 17436 1
65 . 1 1 7 7 A H8 H 1 7.705 0.045 . 1 . . . A 7 A H8 . 17436 1
66 . 1 1 7 7 A C1' C 13 93.460 0.004 . 1 . . . A 7 A C1' . 17436 1
67 . 1 1 7 7 A C2 C 13 154.892 0.025 . 1 . . . A 7 A C2 . 17436 1
68 . 1 1 7 7 A C8 C 13 139.834 0.056 . 1 . . . A 7 A C8 . 17436 1
69 . 1 1 8 8 U H1' H 1 5.702 0.127 . 1 . . . A 8 U H1' . 17436 1
70 . 1 1 8 8 U H2' H 1 4.289 0.002 . 1 . . . A 8 U H2' . 17436 1
71 . 1 1 8 8 U H3' H 1 4.575 0.037 . 1 . . . A 8 U H3' . 17436 1
72 . 1 1 8 8 U H4' H 1 4.421 0.004 . 1 . . . A 8 U H4' . 17436 1
73 . 1 1 8 8 U H5 H 1 5.183 0.063 . 1 . . . A 8 U H5 . 17436 1
74 . 1 1 8 8 U H5' H 1 4.097 0.005 . 2 . . . A 8 U H5' . 17436 1
75 . 1 1 8 8 U H6 H 1 7.464 0.062 . 1 . . . A 8 U H6 . 17436 1
76 . 1 1 8 8 U C1' C 13 92.689 0.000 . 1 . . . A 8 U C1' . 17436 1
77 . 1 1 8 8 U C5 C 13 104.109 0.019 . 1 . . . A 8 U C5 . 17436 1
78 . 1 1 8 8 U C6 C 13 141.773 0.094 . 1 . . . A 8 U C6 . 17436 1
79 . 1 1 9 9 C H1' H 1 5.489 0.026 . 1 . . . A 9 C H1' . 17436 1
80 . 1 1 9 9 C H2' H 1 4.472 0.010 . 1 . . . A 9 C H2' . 17436 1
81 . 1 1 9 9 C H3' H 1 4.569 0.001 . 1 . . . A 9 C H3' . 17436 1
82 . 1 1 9 9 C H4' H 1 4.348 0.001 . 1 . . . A 9 C H4' . 17436 1
83 . 1 1 9 9 C H5 H 1 5.937 0.035 . 1 . . . A 9 C H5 . 17436 1
84 . 1 1 9 9 C H6 H 1 7.913 0.014 . 1 . . . A 9 C H6 . 17436 1
85 . 1 1 9 9 C H41 H 1 7.051 0.000 . 2 . . . A 9 C H41 . 17436 1
86 . 1 1 9 9 C C1' C 13 94.836 0.007 . 1 . . . A 9 C C1' . 17436 1
87 . 1 1 9 9 C C5 C 13 98.977 0.039 . 1 . . . A 9 C C5 . 17436 1
88 . 1 1 10 10 U H1' H 1 5.469 0.025 . 1 . . . A 10 U H1' . 17436 1
89 . 1 1 10 10 U H2' H 1 4.585 0.013 . 1 . . . A 10 U H2' . 17436 1
90 . 1 1 10 10 U H3 H 1 13.384 0.002 . 1 . . . A 10 U H3 . 17436 1
91 . 1 1 10 10 U H4' H 1 4.361 0.014 . 1 . . . A 10 U H4' . 17436 1
92 . 1 1 10 10 U H5 H 1 5.436 0.036 . 1 . . . A 10 U H5 . 17436 1
93 . 1 1 10 10 U H5' H 1 4.142 0.002 . 2 . . . A 10 U H5' . 17436 1
94 . 1 1 10 10 U H5'' H 1 4.509 0.000 . 2 . . . A 10 U H5'' . 17436 1
95 . 1 1 10 10 U H6 H 1 7.868 0.005 . 1 . . . A 10 U H6 . 17436 1
96 . 1 1 10 10 U C1' C 13 93.899 0.031 . 1 . . . A 10 U C1' . 17436 1
97 . 1 1 10 10 U C5 C 13 103.872 0.102 . 1 . . . A 10 U C5 . 17436 1
98 . 1 1 11 11 G H1 H 1 12.053 0.003 . 1 . . . A 11 G H1 . 17436 1
99 . 1 1 11 11 G H1' H 1 5.750 0.028 . 1 . . . A 11 G H1' . 17436 1
100 . 1 1 11 11 G H2' H 1 4.575 0.007 . 1 . . . A 11 G H2' . 17436 1
101 . 1 1 11 11 G H8 H 1 7.699 0.026 . 1 . . . A 11 G H8 . 17436 1
102 . 1 1 11 11 G H21 H 1 7.748 0.000 . 2 . . . A 11 G H21 . 17436 1
103 . 1 1 11 11 G C1' C 13 92.747 0.036 . 1 . . . A 11 G C1' . 17436 1
104 . 1 1 11 11 G C8 C 13 136.942 0.013 . 1 . . . A 11 G C8 . 17436 1
105 . 1 1 12 12 G H1 H 1 13.274 0.004 . 1 . . . A 12 G H1 . 17436 1
106 . 1 1 12 12 G H1' H 1 5.650 0.024 . 1 . . . A 12 G H1' . 17436 1
107 . 1 1 12 12 G H2' H 1 4.440 0.001 . 1 . . . A 12 G H2' . 17436 1
108 . 1 1 12 12 G H4' H 1 4.402 0.000 . 1 . . . A 12 G H4' . 17436 1
109 . 1 1 12 12 G H5'' H 1 4.067 0.002 . 2 . . . A 12 G H5'' . 17436 1
110 . 1 1 12 12 G H8 H 1 7.285 0.037 . 1 . . . A 12 G H8 . 17436 1
111 . 1 1 12 12 G H21 H 1 8.393 0.001 . 2 . . . A 12 G H21 . 17436 1
112 . 1 1 12 12 G H22 H 1 5.489 0.000 . 2 . . . A 12 G H22 . 17436 1
113 . 1 1 12 12 G C1' C 13 93.243 0.012 . 1 . . . A 12 G C1' . 17436 1
114 . 1 1 12 12 G C8 C 13 136.502 0.046 . 1 . . . A 12 G C8 . 17436 1
115 . 1 1 13 13 C H1' H 1 5.486 0.012 . 1 . . . A 13 C H1' . 17436 1
116 . 1 1 13 13 C H2' H 1 4.410 0.013 . 1 . . . A 13 C H2' . 17436 1
117 . 1 1 13 13 C H5 H 1 5.170 0.016 . 1 . . . A 13 C H5 . 17436 1
118 . 1 1 13 13 C H6 H 1 7.584 0.012 . 1 . . . A 13 C H6 . 17436 1
119 . 1 1 13 13 C H41 H 1 6.885 0.002 . 2 . . . A 13 C H41 . 17436 1
120 . 1 1 13 13 C H42 H 1 8.586 0.002 . 2 . . . A 13 C H42 . 17436 1
121 . 1 1 14 14 C H1' H 1 5.495 0.002 . 1 . . . A 14 C H1' . 17436 1
122 . 1 1 14 14 C H2' H 1 4.422 0.001 . 1 . . . A 14 C H2' . 17436 1
123 . 1 1 14 14 C H5 H 1 5.514 0.017 . 1 . . . A 14 C H5 . 17436 1
124 . 1 1 14 14 C H6 H 1 7.733 0.006 . 1 . . . A 14 C H6 . 17436 1
125 . 1 1 14 14 C H41 H 1 6.925 0.003 . 2 . . . A 14 C H41 . 17436 1
126 . 1 1 14 14 C H42 H 1 8.551 0.003 . 2 . . . A 14 C H42 . 17436 1
127 . 1 1 15 15 U H1' H 1 5.527 0.002 . 1 . . . A 15 U H1' . 17436 1
128 . 1 1 15 15 U H2' H 1 4.446 0.014 . 1 . . . A 15 U H2' . 17436 1
129 . 1 1 15 15 U H3 H 1 13.934 0.002 . 1 . . . A 15 U H3 . 17436 1
130 . 1 1 15 15 U H5 H 1 5.414 0.026 . 1 . . . A 15 U H5 . 17436 1
131 . 1 1 15 15 U H6 H 1 7.922 0.002 . 1 . . . A 15 U H6 . 17436 1
132 . 1 1 16 16 U H1' H 1 5.631 0.007 . 1 . . . A 16 U H1' . 17436 1
133 . 1 1 16 16 U H2' H 1 4.435 0.026 . 1 . . . A 16 U H2' . 17436 1
134 . 1 1 16 16 U H3 H 1 13.714 0.002 . 1 . . . A 16 U H3 . 17436 1
135 . 1 1 16 16 U H5 H 1 5.568 0.042 . 1 . . . A 16 U H5 . 17436 1
136 . 1 1 16 16 U H6 H 1 8.057 0.011 . 1 . . . A 16 U H6 . 17436 1
137 . 1 1 17 17 C H1' H 1 5.500 0.006 . 1 . . . A 17 C H1' . 17436 1
138 . 1 1 17 17 C H2' H 1 4.237 0.001 . 1 . . . A 17 C H2' . 17436 1
139 . 1 1 17 17 C H5 H 1 5.601 0.005 . 1 . . . A 17 C H5 . 17436 1
140 . 1 1 17 17 C H6 H 1 7.890 0.004 . 1 . . . A 17 C H6 . 17436 1
141 . 1 1 17 17 C H41 H 1 6.958 0.000 . 2 . . . A 17 C H41 . 17436 1
142 . 1 1 17 17 C H42 H 1 8.308 0.001 . 2 . . . A 17 C H42 . 17436 1
143 . 1 1 18 18 C H1' H 1 5.394 0.026 . 1 . . . A 18 C H1' . 17436 1
144 . 1 1 18 18 C H2' H 1 4.307 0.005 . 1 . . . A 18 C H2' . 17436 1
145 . 1 1 18 18 C H3' H 1 4.457 0.002 . 1 . . . A 18 C H3' . 17436 1
146 . 1 1 18 18 C H4' H 1 4.361 0.003 . 1 . . . A 18 C H4' . 17436 1
147 . 1 1 18 18 C H5 H 1 5.365 0.028 . 1 . . . A 18 C H5 . 17436 1
148 . 1 1 18 18 C H5' H 1 4.552 0.005 . 2 . . . A 18 C H5' . 17436 1
149 . 1 1 18 18 C H5'' H 1 4.046 0.002 . 2 . . . A 18 C H5'' . 17436 1
150 . 1 1 18 18 C H6 H 1 7.754 0.009 . 1 . . . A 18 C H6 . 17436 1
151 . 1 1 18 18 C H41 H 1 6.828 0.005 . 2 . . . A 18 C H41 . 17436 1
152 . 1 1 18 18 C H42 H 1 8.345 0.000 . 2 . . . A 18 C H42 . 17436 1
153 . 1 1 18 18 C C1' C 13 94.362 0.052 . 1 . . . A 18 C C1' . 17436 1
154 . 1 1 18 18 C C5 C 13 97.733 0.047 . 1 . . . A 18 C C5 . 17436 1
155 . 1 1 19 19 C H1' H 1 5.456 0.029 . 1 . . . A 19 C H1' . 17436 1
156 . 1 1 19 19 C H2' H 1 4.590 0.023 . 1 . . . A 19 C H2' . 17436 1
157 . 1 1 19 19 C H3' H 1 4.392 0.003 . 1 . . . A 19 C H3' . 17436 1
158 . 1 1 19 19 C H4' H 1 4.373 0.000 . 1 . . . A 19 C H4' . 17436 1
159 . 1 1 19 19 C H5 H 1 5.207 0.034 . 1 . . . A 19 C H5 . 17436 1
160 . 1 1 19 19 C H6 H 1 7.551 0.019 . 1 . . . A 19 C H6 . 17436 1
161 . 1 1 19 19 C H41 H 1 6.798 0.000 . 2 . . . A 19 C H41 . 17436 1
162 . 1 1 19 19 C H42 H 1 8.334 0.000 . 2 . . . A 19 C H42 . 17436 1
163 . 1 1 19 19 C C1' C 13 94.240 0.006 . 1 . . . A 19 C C1' . 17436 1
164 . 1 1 19 19 C C5 C 13 97.848 0.091 . 1 . . . A 19 C C5 . 17436 1
165 . 1 1 20 20 A H1' H 1 5.762 0.027 . 1 . . . A 20 A H1' . 17436 1
166 . 1 1 20 20 A H2 H 1 7.676 0.052 . 1 . . . A 20 A H2 . 17436 1
167 . 1 1 20 20 A H2' H 1 4.442 0.008 . 1 . . . A 20 A H2' . 17436 1
168 . 1 1 20 20 A H3' H 1 4.525 0.049 . 1 . . . A 20 A H3' . 17436 1
169 . 1 1 20 20 A H4' H 1 4.427 0.000 . 1 . . . A 20 A H4' . 17436 1
170 . 1 1 20 20 A H8 H 1 8.051 0.039 . 1 . . . A 20 A H8 . 17436 1
171 . 1 1 20 20 A C2 C 13 153.832 0.300 . 1 . . . A 20 A C2 . 17436 1
172 . 1 1 20 20 A C8 C 13 140.739 0.132 . 1 . . . A 20 A C8 . 17436 1
173 . 1 1 21 21 C H1' H 1 5.596 0.039 . 1 . . . A 21 C H1' . 17436 1
174 . 1 1 21 21 C H2' H 1 4.069 0.030 . 1 . . . A 21 C H2' . 17436 1
175 . 1 1 21 21 C H3' H 1 4.303 0.017 . 1 . . . A 21 C H3' . 17436 1
176 . 1 1 21 21 C H4' H 1 3.857 0.172 . 1 . . . A 21 C H4' . 17436 1
177 . 1 1 21 21 C H5 H 1 5.493 0.034 . 1 . . . A 21 C H5 . 17436 1
178 . 1 1 21 21 C H5' H 1 3.825 0.009 . 2 . . . A 21 C H5' . 17436 1
179 . 1 1 21 21 C H5'' H 1 3.777 0.027 . 2 . . . A 21 C H5'' . 17436 1
180 . 1 1 21 21 C H6 H 1 7.523 0.048 . 1 . . . A 21 C H6 . 17436 1
181 . 1 1 21 21 C C1' C 13 90.979 0.193 . 1 . . . A 21 C C1' . 17436 1
182 . 1 1 21 21 C C6 C 13 143.473 0.166 . 1 . . . A 21 C C6 . 17436 1
183 . 1 1 22 22 A H1' H 1 5.794 0.027 . 1 . . . A 22 A H1' . 17436 1
184 . 1 1 22 22 A H2 H 1 8.003 0.045 . 1 . . . A 22 A H2 . 17436 1
185 . 1 1 22 22 A H2' H 1 4.537 0.020 . 1 . . . A 22 A H2' . 17436 1
186 . 1 1 22 22 A H3' H 1 4.642 0.073 . 1 . . . A 22 A H3' . 17436 1
187 . 1 1 22 22 A H4' H 1 4.351 0.015 . 1 . . . A 22 A H4' . 17436 1
188 . 1 1 22 22 A H5' H 1 3.886 0.001 . 2 . . . A 22 A H5' . 17436 1
189 . 1 1 22 22 A H5'' H 1 3.834 0.002 . 2 . . . A 22 A H5'' . 17436 1
190 . 1 1 22 22 A H8 H 1 8.109 0.038 . 1 . . . A 22 A H8 . 17436 1
191 . 1 1 22 22 A C1' C 13 90.875 0.174 . 1 . . . A 22 A C1' . 17436 1
192 . 1 1 22 22 A C2 C 13 155.347 0.061 . 1 . . . A 22 A C2 . 17436 1
193 . 1 1 22 22 A C8 C 13 142.086 0.021 . 1 . . . A 22 A C8 . 17436 1
194 . 1 1 23 23 A H1' H 1 6.088 0.034 . 1 . . . A 23 A H1' . 17436 1
195 . 1 1 23 23 A H2 H 1 8.101 0.032 . 1 . . . A 23 A H2 . 17436 1
196 . 1 1 23 23 A H2' H 1 4.797 0.014 . 1 . . . A 23 A H2' . 17436 1
197 . 1 1 23 23 A H3' H 1 4.928 0.029 . 1 . . . A 23 A H3' . 17436 1
198 . 1 1 23 23 A H4' H 1 4.574 0.016 . 1 . . . A 23 A H4' . 17436 1
199 . 1 1 23 23 A H5' H 1 4.321 0.016 . 2 . . . A 23 A H5' . 17436 1
200 . 1 1 23 23 A H8 H 1 8.371 0.036 . 1 . . . A 23 A H8 . 17436 1
201 . 1 1 23 23 A C1' C 13 91.098 0.068 . 1 . . . A 23 A C1' . 17436 1
202 . 1 1 23 23 A C2 C 13 155.642 0.012 . 1 . . . A 23 A C2 . 17436 1
203 . 1 1 23 23 A C8 C 13 142.452 0.008 . 1 . . . A 23 A C8 . 17436 1
204 . 1 1 24 24 G H1 H 1 12.088 0.001 . 1 . . . A 24 G H1 . 17436 1
205 . 1 1 24 24 G H1' H 1 4.984 0.099 . 1 . . . A 24 G H1' . 17436 1
206 . 1 1 24 24 G H2' H 1 4.571 0.009 . 1 . . . A 24 G H2' . 17436 1
207 . 1 1 24 24 G H3' H 1 4.421 0.125 . 1 . . . A 24 G H3' . 17436 1
208 . 1 1 24 24 G H4' H 1 4.470 0.014 . 1 . . . A 24 G H4' . 17436 1
209 . 1 1 24 24 G H5' H 1 4.388 0.000 . 2 . . . A 24 G H5' . 17436 1
210 . 1 1 24 24 G H8 H 1 7.744 0.046 . 1 . . . A 24 G H8 . 17436 1
211 . 1 1 24 24 G H21 H 1 7.947 0.000 . 2 . . . A 24 G H21 . 17436 1
212 . 1 1 24 24 G C8 C 13 137.903 0.068 . 1 . . . A 24 G C8 . 17436 1
213 . 1 1 25 25 G H1 H 1 12.482 0.003 . 1 . . . A 25 G H1 . 17436 1
214 . 1 1 25 25 G H1' H 1 5.793 0.009 . 1 . . . A 25 G H1' . 17436 1
215 . 1 1 25 25 G H2' H 1 4.571 0.072 . 1 . . . A 25 G H2' . 17436 1
216 . 1 1 25 25 G H3' H 1 4.499 0.062 . 1 . . . A 25 G H3' . 17436 1
217 . 1 1 25 25 G H4' H 1 4.492 0.167 . 1 . . . A 25 G H4' . 17436 1
218 . 1 1 25 25 G H5'' H 1 4.068 0.002 . 2 . . . A 25 G H5'' . 17436 1
219 . 1 1 25 25 G H8 H 1 7.244 0.040 . 1 . . . A 25 G H8 . 17436 1
220 . 1 1 25 25 G H21 H 1 7.947 0.000 . 2 . . . A 25 G H21 . 17436 1
221 . 1 1 25 25 G H22 H 1 5.906 0.000 . 2 . . . A 25 G H22 . 17436 1
222 . 1 1 25 25 G C8 C 13 136.703 0.074 . 1 . . . A 25 G C8 . 17436 1
223 . 1 1 26 26 G H1 H 1 12.150 0.002 . 1 . . . A 26 G H1 . 17436 1
224 . 1 1 26 26 G H1' H 1 5.733 0.005 . 1 . . . A 26 G H1' . 17436 1
225 . 1 1 26 26 G H2' H 1 4.589 0.003 . 1 . . . A 26 G H2' . 17436 1
226 . 1 1 26 26 G H3' H 1 4.454 0.000 . 1 . . . A 26 G H3' . 17436 1
227 . 1 1 26 26 G H8 H 1 7.108 0.046 . 1 . . . A 26 G H8 . 17436 1
228 . 1 1 26 26 G H21 H 1 7.936 0.000 . 2 . . . A 26 G H21 . 17436 1
229 . 1 1 26 26 G C8 C 13 136.508 0.061 . 1 . . . A 26 G C8 . 17436 1
230 . 1 1 27 27 A H1' H 1 5.889 0.002 . 1 . . . A 27 A H1' . 17436 1
231 . 1 1 27 27 A H2 H 1 7.097 0.014 . 1 . . . A 27 A H2 . 17436 1
232 . 1 1 27 27 A H2' H 1 4.602 0.005 . 1 . . . A 27 A H2' . 17436 1
233 . 1 1 27 27 A H3' H 1 4.525 0.007 . 1 . . . A 27 A H3' . 17436 1
234 . 1 1 27 27 A H4' H 1 4.489 0.001 . 1 . . . A 27 A H4' . 17436 1
235 . 1 1 27 27 A H5' H 1 4.096 0.000 . 2 . . . A 27 A H5' . 17436 1
236 . 1 1 27 27 A H8 H 1 7.598 0.011 . 1 . . . A 27 A H8 . 17436 1
237 . 1 1 27 27 A H61 H 1 7.806 0.000 . 2 . . . A 27 A H61 . 17436 1
238 . 1 1 27 27 A H62 H 1 6.542 0.000 . 2 . . . A 27 A H62 . 17436 1
239 . 1 1 28 28 A H1' H 1 5.858 0.006 . 1 . . . A 28 A H1' . 17436 1
240 . 1 1 28 28 A H2 H 1 7.445 0.011 . 1 . . . A 28 A H2 . 17436 1
241 . 1 1 28 28 A H2' H 1 4.596 0.014 . 1 . . . A 28 A H2' . 17436 1
242 . 1 1 28 28 A H3' H 1 4.549 0.011 . 1 . . . A 28 A H3' . 17436 1
243 . 1 1 28 28 A H4' H 1 4.473 0.001 . 1 . . . A 28 A H4' . 17436 1
244 . 1 1 28 28 A H5' H 1 4.096 0.000 . 2 . . . A 28 A H5' . 17436 1
245 . 1 1 28 28 A H8 H 1 7.604 0.009 . 1 . . . A 28 A H8 . 17436 1
246 . 1 1 28 28 A H61 H 1 7.936 0.003 . 2 . . . A 28 A H61 . 17436 1
247 . 1 1 28 28 A H62 H 1 6.556 0.001 . 2 . . . A 28 A H62 . 17436 1
248 . 1 1 29 29 G H1 H 1 12.933 0.001 . 1 . . . A 29 G H1 . 17436 1
249 . 1 1 29 29 G H1' H 1 5.568 0.028 . 1 . . . A 29 G H1' . 17436 1
250 . 1 1 29 29 G H2' H 1 4.511 0.007 . 1 . . . A 29 G H2' . 17436 1
251 . 1 1 29 29 G H3' H 1 4.393 0.008 . 1 . . . A 29 G H3' . 17436 1
252 . 1 1 29 29 G H4' H 1 4.436 0.003 . 1 . . . A 29 G H4' . 17436 1
253 . 1 1 29 29 G H5'' H 1 4.026 0.001 . 2 . . . A 29 G H5'' . 17436 1
254 . 1 1 29 29 G H8 H 1 7.046 0.034 . 1 . . . A 29 G H8 . 17436 1
255 . 1 1 29 29 G H21 H 1 8.350 0.016 . 2 . . . A 29 G H21 . 17436 1
256 . 1 1 29 29 G H22 H 1 6.111 0.003 . 2 . . . A 29 G H22 . 17436 1
257 . 1 1 29 29 G C1' C 13 92.887 0.025 . 1 . . . A 29 G C1' . 17436 1
258 . 1 1 29 29 G C8 C 13 136.154 0.034 . 1 . . . A 29 G C8 . 17436 1
259 . 1 1 30 30 G H1 H 1 13.306 0.002 . 1 . . . A 30 G H1 . 17436 1
260 . 1 1 30 30 G H1' H 1 5.719 0.017 . 1 . . . A 30 G H1' . 17436 1
261 . 1 1 30 30 G H2' H 1 4.489 0.008 . 1 . . . A 30 G H2' . 17436 1
262 . 1 1 30 30 G H3' H 1 4.434 0.001 . 1 . . . A 30 G H3' . 17436 1
263 . 1 1 30 30 G H4' H 1 4.407 0.002 . 1 . . . A 30 G H4' . 17436 1
264 . 1 1 30 30 G H5' H 1 4.033 0.002 . 2 . . . A 30 G H5' . 17436 1
265 . 1 1 30 30 G H8 H 1 7.204 0.035 . 1 . . . A 30 G H8 . 17436 1
266 . 1 1 30 30 G H21 H 1 8.401 0.006 . 2 . . . A 30 G H21 . 17436 1
267 . 1 1 30 30 G H22 H 1 5.499 0.000 . 2 . . . A 30 G H22 . 17436 1
268 . 1 1 30 30 G C8 C 13 136.420 0.025 . 1 . . . A 30 G C8 . 17436 1
269 . 1 1 31 31 C H1' H 1 5.504 0.009 . 1 . . . A 31 C H1' . 17436 1
270 . 1 1 31 31 C H2' H 1 4.415 0.010 . 1 . . . A 31 C H2' . 17436 1
271 . 1 1 31 31 C H5 H 1 5.170 0.018 . 1 . . . A 31 C H5 . 17436 1
272 . 1 1 31 31 C H6 H 1 7.574 0.008 . 1 . . . A 31 C H6 . 17436 1
273 . 1 1 31 31 C H41 H 1 6.871 0.004 . 2 . . . A 31 C H41 . 17436 1
274 . 1 1 31 31 C H42 H 1 8.575 0.004 . 2 . . . A 31 C H42 . 17436 1
275 . 1 1 32 32 C H1' H 1 5.436 0.037 . 1 . . . A 32 C H1' . 17436 1
276 . 1 1 32 32 C H2' H 1 4.515 0.008 . 1 . . . A 32 C H2' . 17436 1
277 . 1 1 32 32 C H3' H 1 4.504 0.000 . 1 . . . A 32 C H3' . 17436 1
278 . 1 1 32 32 C H4' H 1 4.399 0.001 . 1 . . . A 32 C H4' . 17436 1
279 . 1 1 32 32 C H5 H 1 5.494 0.012 . 1 . . . A 32 C H5 . 17436 1
280 . 1 1 32 32 C H6 H 1 7.685 0.024 . 1 . . . A 32 C H6 . 17436 1
281 . 1 1 32 32 C H41 H 1 6.877 0.000 . 2 . . . A 32 C H41 . 17436 1
282 . 1 1 32 32 C H42 H 1 8.396 0.002 . 2 . . . A 32 C H42 . 17436 1
283 . 1 1 32 32 C C1' C 13 94.408 0.111 . 1 . . . A 32 C C1' . 17436 1
284 . 1 1 32 32 C C6 C 13 142.694 0.005 . 1 . . . A 32 C C6 . 17436 1
285 . 1 1 33 33 A H1' H 1 5.861 0.017 . 1 . . . A 33 A H1' . 17436 1
286 . 1 1 33 33 A H2 H 1 6.979 0.049 . 1 . . . A 33 A H2 . 17436 1
287 . 1 1 33 33 A H2' H 1 4.626 0.024 . 1 . . . A 33 A H2' . 17436 1
288 . 1 1 33 33 A H3' H 1 4.517 0.008 . 1 . . . A 33 A H3' . 17436 1
289 . 1 1 33 33 A H4' H 1 4.453 0.000 . 1 . . . A 33 A H4' . 17436 1
290 . 1 1 33 33 A H5' H 1 4.116 0.001 . 2 . . . A 33 A H5' . 17436 1
291 . 1 1 33 33 A H8 H 1 7.976 0.040 . 1 . . . A 33 A H8 . 17436 1
292 . 1 1 33 33 A H61 H 1 7.710 0.001 . 2 . . . A 33 A H61 . 17436 1
293 . 1 1 33 33 A H62 H 1 6.348 0.023 . 2 . . . A 33 A H62 . 17436 1
294 . 1 1 33 33 A C2 C 13 152.936 0.079 . 1 . . . A 33 A C2 . 17436 1
295 . 1 1 33 33 A C8 C 13 139.948 0.032 . 1 . . . A 33 A C8 . 17436 1
296 . 1 1 34 34 G H1 H 1 12.869 0.001 . 1 . . . A 34 G H1 . 17436 1
297 . 1 1 34 34 G H1' H 1 5.445 0.037 . 1 . . . A 34 G H1' . 17436 1
298 . 1 1 34 34 G H2' H 1 4.355 0.006 . 1 . . . A 34 G H2' . 17436 1
299 . 1 1 34 34 G H3' H 1 4.294 0.017 . 1 . . . A 34 G H3' . 17436 1
300 . 1 1 34 34 G H4' H 1 4.220 0.000 . 1 . . . A 34 G H4' . 17436 1
301 . 1 1 34 34 G H5' H 1 3.991 0.004 . 2 . . . A 34 G H5' . 17436 1
302 . 1 1 34 34 G H8 H 1 6.993 0.031 . 1 . . . A 34 G H8 . 17436 1
303 . 1 1 34 34 G H21 H 1 8.400 0.000 . 2 . . . A 34 G H21 . 17436 1
304 . 1 1 34 34 G H22 H 1 5.956 0.000 . 2 . . . A 34 G H22 . 17436 1
305 . 1 1 34 34 G C1' C 13 92.680 0.047 . 1 . . . A 34 G C1' . 17436 1
306 . 1 1 35 35 G H1 H 1 10.571 0.000 . 1 . . . A 35 G H1 . 17436 1
307 . 1 1 35 35 G H1' H 1 5.462 0.043 . 1 . . . A 35 G H1' . 17436 1
308 . 1 1 35 35 G H2' H 1 4.159 0.040 . 1 . . . A 35 G H2' . 17436 1
309 . 1 1 35 35 G H3' H 1 4.296 0.098 . 1 . . . A 35 G H3' . 17436 1
310 . 1 1 35 35 G H4' H 1 4.199 0.001 . 1 . . . A 35 G H4' . 17436 1
311 . 1 1 35 35 G H5' H 1 3.933 0.012 . 2 . . . A 35 G H5' . 17436 1
312 . 1 1 35 35 G H8 H 1 7.213 0.073 . 1 . . . A 35 G H8 . 17436 1
313 . 1 1 35 35 G C1' C 13 91.837 0.046 . 1 . . . A 35 G C1' . 17436 1
314 . 1 1 35 35 G C8 C 13 137.860 0.033 . 1 . . . A 35 G C8 . 17436 1
315 . 1 1 36 36 G H1 H 1 10.542 0.000 . 1 . . . A 36 G H1 . 17436 1
316 . 1 1 36 36 G H1' H 1 5.433 0.107 . 1 . . . A 36 G H1' . 17436 1
317 . 1 1 36 36 G H2' H 1 4.541 0.091 . 1 . . . A 36 G H2' . 17436 1
318 . 1 1 36 36 G H3' H 1 4.457 0.148 . 1 . . . A 36 G H3' . 17436 1
319 . 1 1 36 36 G H4' H 1 4.466 0.192 . 1 . . . A 36 G H4' . 17436 1
320 . 1 1 36 36 G H5' H 1 4.090 0.018 . 2 . . . A 36 G H5' . 17436 1
321 . 1 1 36 36 G H5'' H 1 3.992 0.023 . 2 . . . A 36 G H5'' . 17436 1
322 . 1 1 36 36 G H8 H 1 7.626 0.064 . 1 . . . A 36 G H8 . 17436 1
323 . 1 1 36 36 G C1' C 13 89.802 0.011 . 1 . . . A 36 G C1' . 17436 1
324 . 1 1 36 36 G C8 C 13 139.984 0.050 . 1 . . . A 36 G C8 . 17436 1
325 . 1 1 37 37 A H1' H 1 5.862 0.044 . 1 . . . A 37 A H1' . 17436 1
326 . 1 1 37 37 A H2 H 1 7.903 0.047 . 1 . . . A 37 A H2 . 17436 1
327 . 1 1 37 37 A H2' H 1 4.584 0.069 . 1 . . . A 37 A H2' . 17436 1
328 . 1 1 37 37 A H3' H 1 4.620 0.068 . 1 . . . A 37 A H3' . 17436 1
329 . 1 1 37 37 A H4' H 1 4.519 0.020 . 1 . . . A 37 A H4' . 17436 1
330 . 1 1 37 37 A H5' H 1 4.209 0.025 . 2 . . . A 37 A H5' . 17436 1
331 . 1 1 37 37 A H5'' H 1 4.203 0.003 . 2 . . . A 37 A H5'' . 17436 1
332 . 1 1 37 37 A H8 H 1 8.153 0.031 . 1 . . . A 37 A H8 . 17436 1
333 . 1 1 37 37 A C1' C 13 91.179 0.029 . 1 . . . A 37 A C1' . 17436 1
334 . 1 1 37 37 A C2 C 13 155.055 0.022 . 1 . . . A 37 A C2 . 17436 1
335 . 1 1 37 37 A C8 C 13 142.215 0.069 . 1 . . . A 37 A C8 . 17436 1
336 . 1 1 38 38 A H1' H 1 5.745 0.036 . 1 . . . A 38 A H1' . 17436 1
337 . 1 1 38 38 A H2 H 1 7.999 0.038 . 1 . . . A 38 A H2 . 17436 1
338 . 1 1 38 38 A H2' H 1 4.715 0.019 . 1 . . . A 38 A H2' . 17436 1
339 . 1 1 38 38 A H3' H 1 4.708 0.014 . 1 . . . A 38 A H3' . 17436 1
340 . 1 1 38 38 A H4' H 1 4.557 0.000 . 1 . . . A 38 A H4' . 17436 1
341 . 1 1 38 38 A H5' H 1 4.234 0.002 . 2 . . . A 38 A H5' . 17436 1
342 . 1 1 38 38 A H8 H 1 8.275 0.076 . 1 . . . A 38 A H8 . 17436 1
343 . 1 1 38 38 A C1' C 13 90.739 0.016 . 1 . . . A 38 A C1' . 17436 1
344 . 1 1 38 38 A C2 C 13 155.100 0.035 . 1 . . . A 38 A C2 . 17436 1
345 . 1 1 38 38 A C8 C 13 141.199 0.032 . 1 . . . A 38 A C8 . 17436 1
346 . 1 1 39 39 U H1' H 1 5.608 0.034 . 1 . . . A 39 U H1' . 17436 1
347 . 1 1 39 39 U H2' H 1 4.495 0.005 . 1 . . . A 39 U H2' . 17436 1
348 . 1 1 39 39 U H3 H 1 14.025 0.003 . 1 . . . A 39 U H3 . 17436 1
349 . 1 1 39 39 U H3' H 1 4.431 0.005 . 1 . . . A 39 U H3' . 17436 1
350 . 1 1 39 39 U H4' H 1 4.521 0.012 . 1 . . . A 39 U H4' . 17436 1
351 . 1 1 39 39 U H5 H 1 5.142 0.053 . 1 . . . A 39 U H5 . 17436 1
352 . 1 1 39 39 U H5' H 1 4.266 0.018 . 2 . . . A 39 U H5' . 17436 1
353 . 1 1 39 39 U H6 H 1 7.688 0.024 . 1 . . . A 39 U H6 . 17436 1
354 . 1 1 39 39 U C5 C 13 103.554 0.067 . 1 . . . A 39 U C5 . 17436 1
355 . 1 1 39 39 U C6 C 13 141.442 0.011 . 1 . . . A 39 U C6 . 17436 1
356 . 1 1 40 40 C H1' H 1 5.624 0.033 . 1 . . . A 40 C H1' . 17436 1
357 . 1 1 40 40 C H2' H 1 4.363 0.002 . 1 . . . A 40 C H2' . 17436 1
358 . 1 1 40 40 C H5 H 1 5.655 0.038 . 1 . . . A 40 C H5 . 17436 1
359 . 1 1 40 40 C H6 H 1 7.885 0.006 . 1 . . . A 40 C H6 . 17436 1
360 . 1 1 40 40 C H41 H 1 6.990 0.002 . 2 . . . A 40 C H41 . 17436 1
361 . 1 1 40 40 C H42 H 1 8.385 0.004 . 2 . . . A 40 C H42 . 17436 1
362 . 1 1 40 40 C C1' C 13 94.527 0.070 . 1 . . . A 40 C C1' . 17436 1
363 . 1 1 40 40 C C5 C 13 98.020 0.054 . 1 . . . A 40 C C5 . 17436 1
364 . 1 1 41 41 U H1' H 1 5.519 0.002 . 1 . . . A 41 U H1' . 17436 1
365 . 1 1 41 41 U H2' H 1 4.447 0.008 . 1 . . . A 41 U H2' . 17436 1
366 . 1 1 41 41 U H3 H 1 13.900 0.002 . 1 . . . A 41 U H3 . 17436 1
367 . 1 1 41 41 U H5 H 1 5.394 0.012 . 1 . . . A 41 U H5 . 17436 1
368 . 1 1 41 41 U H6 H 1 7.911 0.002 . 1 . . . A 41 U H6 . 17436 1
369 . 1 1 42 42 U H1' H 1 5.632 0.008 . 1 . . . A 42 U H1' . 17436 1
370 . 1 1 42 42 U H2' H 1 4.472 0.060 . 1 . . . A 42 U H2' . 17436 1
371 . 1 1 42 42 U H3 H 1 13.701 0.003 . 1 . . . A 42 U H3 . 17436 1
372 . 1 1 42 42 U H3' H 1 4.426 0.000 . 1 . . . A 42 U H3' . 17436 1
373 . 1 1 42 42 U H4' H 1 4.459 0.000 . 1 . . . A 42 U H4' . 17436 1
374 . 1 1 42 42 U H5 H 1 5.572 0.012 . 1 . . . A 42 U H5 . 17436 1
375 . 1 1 42 42 U H6 H 1 8.038 0.005 . 1 . . . A 42 U H6 . 17436 1
376 . 1 1 43 43 C H1' H 1 5.502 0.012 . 1 . . . A 43 C H1' . 17436 1
377 . 1 1 43 43 C H2' H 1 4.274 0.003 . 1 . . . A 43 C H2' . 17436 1
378 . 1 1 43 43 C H5 H 1 5.614 0.007 . 1 . . . A 43 C H5 . 17436 1
379 . 1 1 43 43 C H6 H 1 7.887 0.004 . 1 . . . A 43 C H6 . 17436 1
380 . 1 1 43 43 C H41 H 1 6.965 0.000 . 2 . . . A 43 C H41 . 17436 1
381 . 1 1 43 43 C H42 H 1 8.313 0.000 . 2 . . . A 43 C H42 . 17436 1
382 . 1 1 44 44 C H1' H 1 5.423 0.038 . 1 . . . A 44 C H1' . 17436 1
383 . 1 1 44 44 C H2' H 1 4.216 0.000 . 1 . . . A 44 C H2' . 17436 1
384 . 1 1 44 44 C H5 H 1 5.427 0.048 . 1 . . . A 44 C H5 . 17436 1
385 . 1 1 44 44 C H6 H 1 7.775 0.005 . 1 . . . A 44 C H6 . 17436 1
386 . 1 1 44 44 C H41 H 1 6.918 0.000 . 2 . . . A 44 C H41 . 17436 1
387 . 1 1 44 44 C H42 H 1 8.404 0.000 . 2 . . . A 44 C H42 . 17436 1
388 . 1 1 44 44 C C1' C 13 94.679 0.018 . 1 . . . A 44 C C1' . 17436 1
389 . 1 1 44 44 C C5 C 13 97.735 0.051 . 1 . . . A 44 C C5 . 17436 1
390 . 1 1 45 45 C H1' H 1 5.734 0.043 . 1 . . . A 45 C H1' . 17436 1
391 . 1 1 45 45 C H2' H 1 3.982 0.011 . 1 . . . A 45 C H2' . 17436 1
392 . 1 1 45 45 C H5 H 1 5.456 0.009 . 1 . . . A 45 C H5 . 17436 1
393 . 1 1 45 45 C H6 H 1 7.652 0.023 . 1 . . . A 45 C H6 . 17436 1
394 . 1 1 45 45 C H41 H 1 6.855 0.000 . 2 . . . A 45 C H41 . 17436 1
395 . 1 1 45 45 C H42 H 1 8.392 0.000 . 2 . . . A 45 C H42 . 17436 1
396 . 1 1 45 45 C C1' C 13 93.875 0.002 . 1 . . . A 45 C C1' . 17436 1
397 . 1 1 45 45 C C6 C 13 142.374 0.031 . 1 . . . A 45 C C6 . 17436 1
398 . 2 2 1 1 L94 H2 H 1 7.831 0.009 . 1 . . . A 213 L94 Benz . 17436 1
399 . 2 2 1 1 L94 H3 H 1 7.831 0.009 . 1 . . . A 213 L94 Benz . 17436 1
400 . 2 2 1 1 L94 H5 H 1 7.831 0.009 . 1 . . . A 213 L94 Benz . 17436 1
401 . 2 2 1 1 L94 H6 H 1 7.831 0.009 . 1 . . . A 213 L94 Benz . 17436 1
402 . 2 2 1 1 L94 C2 C 13 131.404 0.000 . 1 . . . A 213 L94 BenzC . 17436 1
403 . 2 2 1 1 L94 C3 C 13 131.404 0.000 . 1 . . . A 213 L94 BenzC . 17436 1
404 . 2 2 1 1 L94 C5 C 13 131.404 0.000 . 1 . . . A 213 L94 BenzC . 17436 1
405 . 2 2 1 1 L94 C6 C 13 131.404 0.000 . 1 . . . A 213 L94 BenzC . 17436 1
406 . 2 2 1 1 L94 H131 H 1 3.550 0.007 . 1 . . . A 213 L94 Me3 . 17436 1
407 . 2 2 1 1 L94 H434 H 1 3.550 0.007 . 1 . . . A 213 L94 Me3 . 17436 1
408 . 2 2 1 1 L94 H13A H 1 3.550 0.007 . 1 . . . A 213 L94 Me3 . 17436 1
409 . 2 2 1 1 L94 H43A H 1 3.550 0.007 . 1 . . . A 213 L94 Me3 . 17436 1
410 . 2 2 1 1 L94 C31 C 13 42.768 0.000 . 1 . . . A 213 L94 Me3C . 17436 1
411 . 2 2 1 1 L94 C34 C 13 42.768 0.000 . 1 . . . A 213 L94 Me3C . 17436 1
412 . 2 2 1 1 L94 H141 H 1 2.172 0.006 . 1 . . . A 213 L94 Me4 . 17436 1
413 . 2 2 1 1 L94 H444 H 1 2.172 0.006 . 1 . . . A 213 L94 Me4 . 17436 1
414 . 2 2 1 1 L94 H14A H 1 2.172 0.006 . 1 . . . A 213 L94 Me4 . 17436 1
415 . 2 2 1 1 L94 H44A H 1 2.172 0.006 . 1 . . . A 213 L94 Me4 . 17436 1
416 . 2 2 1 1 L94 C41 C 13 25.174 0.000 . 1 . . . A 213 L94 Me4C . 17436 1
417 . 2 2 1 1 L94 C44 C 13 25.174 0.000 . 1 . . . A 213 L94 Me4C . 17436 1
418 . 2 2 1 1 L94 H151 H 1 3.243 0.007 . 1 . . . A 213 L94 Me5 . 17436 1
419 . 2 2 1 1 L94 H454 H 1 3.243 0.007 . 1 . . . A 213 L94 Me5 . 17436 1
420 . 2 2 1 1 L94 H15A H 1 3.243 0.007 . 1 . . . A 213 L94 Me5 . 17436 1
421 . 2 2 1 1 L94 H45A H 1 3.243 0.007 . 1 . . . A 213 L94 Me5 . 17436 1
422 . 2 2 1 1 L94 C51 C 13 57.580 0.000 . 1 . . . A 213 L94 Me5C . 17436 1
423 . 2 2 1 1 L94 C54 C 13 57.580 0.000 . 1 . . . A 213 L94 Me5C . 17436 1
424 . 2 2 1 1 L94 H171 H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
425 . 2 2 1 1 L94 H474 H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
426 . 2 2 1 1 L94 H17A H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
427 . 2 2 1 1 L94 H47A H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
428 . 2 2 1 1 L94 H47B H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
429 . 2 2 1 1 L94 H17B H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
430 . 2 2 1 1 L94 H181 H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
431 . 2 2 1 1 L94 H484 H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
432 . 2 2 1 1 L94 H18A H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
433 . 2 2 1 1 L94 H48A H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
434 . 2 2 1 1 L94 H18B H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
435 . 2 2 1 1 L94 H48B H 1 2.888 0.005 . 1 . . . A 213 L94 Me6 . 17436 1
436 . 2 2 1 1 L94 C71 C 13 45.640 0.000 . 1 . . . A 213 L94 Me6C . 17436 1
437 . 2 2 1 1 L94 C74 C 13 45.640 0.000 . 1 . . . A 213 L94 Me6C . 17436 1
438 . 2 2 1 1 L94 C81 C 13 45.640 0.000 . 1 . . . A 213 L94 Me6C . 17436 1
439 . 2 2 1 1 L94 C84 C 13 45.640 0.000 . 1 . . . A 213 L94 Me6C . 17436 1
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