Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50760
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Chemical shift list 298 K'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 HSQC[15N]-2J . . . 50760 2
5 HSQC[13C] . . . 50760 2
6 HSQC[13C] . . . 50760 2
7 'NOESY HSQC [13C]' . . . 50760 2
8 'NOESY HSQC [13C]' . . . 50760 2
10 H(C)P-TOCSY . . . 50760 2
11 H5(C5C4)N3 . . . 50760 2
12 H5(C5C4)N3 . . . 50760 2
13 H5(C5)C4 . . . 50760 2
14 H6(C6N1)C2 . . . 50760 2
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 . . 50760 2
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 5.811 0.020 . 1 . . . . . -2 G H1' . 50760 2
2 . 1 . 1 1 1 G H2' H 1 4.930 0.020 . 1 . . . . . -2 G H2' . 50760 2
3 . 1 . 1 1 1 G H3' H 1 4.745 0.020 . 1 . . . . . -2 G H3' . 50760 2
4 . 1 . 1 1 1 G H4' H 1 4.555 0.020 . 1 . . . . . -2 G H4' . 50760 2
5 . 1 . 1 1 1 G H5' H 1 4.445 0.020 . 2 . . . . . -2 G H5' . 50760 2
6 . 1 . 1 1 1 G H5'' H 1 4.283 0.020 . 2 . . . . . -2 G H5'' . 50760 2
7 . 1 . 1 1 1 G H8 H 1 8.160 0.020 . 1 . . . . . -2 G H8 . 50760 2
8 . 1 . 1 1 1 G C1' C 13 91.796 0.3 . 1 . . . . . -2 G C1' . 50760 2
9 . 1 . 1 1 1 G C2' C 13 74.923 0.3 . 1 . . . . . -2 G C2' . 50760 2
10 . 1 . 1 1 1 G C3' C 13 74.375 0.3 . 1 . . . . . -2 G C3' . 50760 2
11 . 1 . 1 1 1 G C4' C 13 83.338 0.3 . 1 . . . . . -2 G C4' . 50760 2
12 . 1 . 1 1 1 G C5' C 13 66.888 0.3 . 1 . . . . . -2 G C5' . 50760 2
13 . 1 . 1 1 1 G C8 C 13 139.253 0.3 . 1 . . . . . -2 G C8 . 50760 2
14 . 1 . 1 1 1 G N2 N 15 75.075 0.3 . 1 . . . . . -2 G N2 . 50760 2
15 . 1 . 1 1 1 G N7 N 15 231.877 0.3 . 1 . . . . . -2 G N7 . 50760 2
16 . 1 . 1 1 1 G N9 N 15 168.898 0.3 . 1 . . . . . -2 G N9 . 50760 2
17 . 1 . 1 2 2 G H1' H 1 5.906 0.020 . 1 . . . . . -1 G H1' . 50760 2
18 . 1 . 1 2 2 G H2' H 1 4.557 0.020 . 1 . . . . . -1 G H2' . 50760 2
19 . 1 . 1 2 2 G H3' H 1 4.583 0.020 . 1 . . . . . -1 G H3' . 50760 2
20 . 1 . 1 2 2 G H4' H 1 4.543 0.020 . 1 . . . . . -1 G H4' . 50760 2
21 . 1 . 1 2 2 G H5' H 1 4.531 0.020 . 2 . . . . . -1 G H5' . 50760 2
22 . 1 . 1 2 2 G H5'' H 1 4.242 0.020 . 2 . . . . . -1 G H5'' . 50760 2
23 . 1 . 1 2 2 G H8 H 1 7.605 0.020 . 1 . . . . . -1 G H8 . 50760 2
24 . 1 . 1 2 2 G C1' C 13 92.996 0.3 . 1 . . . . . -1 G C1' . 50760 2
25 . 1 . 1 2 2 G C2' C 13 75.277 0.3 . 1 . . . . . -1 G C2' . 50760 2
26 . 1 . 1 2 2 G C3' C 13 72.870 0.3 . 1 . . . . . -1 G C3' . 50760 2
27 . 1 . 1 2 2 G C4' C 13 82.377 0.3 . 1 . . . . . -1 G C4' . 50760 2
28 . 1 . 1 2 2 G C5' C 13 65.826 0.3 . 1 . . . . . -1 G C5' . 50760 2
29 . 1 . 1 2 2 G C8 C 13 136.748 0.3 . 1 . . . . . -1 G C8 . 50760 2
30 . 1 . 1 2 2 G N7 N 15 233.685 0.3 . 1 . . . . . -1 G N7 . 50760 2
31 . 1 . 1 2 2 G N9 N 15 169.423 0.3 . 1 . . . . . -1 G N9 . 50760 2
32 . 1 . 1 2 2 G P P 31 -0.859 0.3 . 1 . . . . . -1 G P . 50760 2
33 . 1 . 1 3 3 C H1' H 1 5.529 0.020 . 1 . . . . . 96 C H1' . 50760 2
34 . 1 . 1 3 3 C H2' H 1 4.583 0.020 . 1 . . . . . 96 C H2' . 50760 2
35 . 1 . 1 3 3 C H3' H 1 4.556 0.020 . 1 . . . . . 96 C H3' . 50760 2
36 . 1 . 1 3 3 C H4' H 1 4.441 0.020 . 1 . . . . . 96 C H4' . 50760 2
37 . 1 . 1 3 3 C H5 H 1 5.277 0.020 . 1 . . . . . 96 C H5 . 50760 2
38 . 1 . 1 3 3 C H5' H 1 4.502 0.020 . 2 . . . . . 96 C H5' . 50760 2
39 . 1 . 1 3 3 C H5'' H 1 4.129 0.020 . 2 . . . . . 96 C H5'' . 50760 2
40 . 1 . 1 3 3 C H6 H 1 7.708 0.020 . 1 . . . . . 96 C H6 . 50760 2
41 . 1 . 1 3 3 C C1' C 13 93.710 0.3 . 1 . . . . . 96 C C1' . 50760 2
42 . 1 . 1 3 3 C C2 C 13 158.697 0.3 . 1 . . . . . 96 C C2 . 50760 2
43 . 1 . 1 3 3 C C2' C 13 75.252 0.3 . 1 . . . . . 96 C C2' . 50760 2
44 . 1 . 1 3 3 C C3' C 13 72.166 0.3 . 1 . . . . . 96 C C3' . 50760 2
45 . 1 . 1 3 3 C C4 C 13 168.440 0.3 . 1 . . . . . 96 C C4 . 50760 2
46 . 1 . 1 3 3 C C4' C 13 81.863 0.3 . 1 . . . . . 96 C C4' . 50760 2
47 . 1 . 1 3 3 C C5 C 13 97.403 0.3 . 1 . . . . . 96 C C5 . 50760 2
48 . 1 . 1 3 3 C C5' C 13 65.392 0.3 . 1 . . . . . 96 C C5' . 50760 2
49 . 1 . 1 3 3 C C6 C 13 140.733 0.3 . 1 . . . . . 96 C C6 . 50760 2
50 . 1 . 1 3 3 C N3 N 15 196.774 0.3 . 1 . . . . . 96 C N3 . 50760 2
51 . 1 . 1 3 3 C P P 31 -1.296 0.3 . 1 . . . . . 96 C P . 50760 2
52 . 1 . 1 4 4 A H1' H 1 5.940 0.020 . 1 . . . . . 97 A H1' . 50760 2
53 . 1 . 1 4 4 A H2 H 1 7.344 0.020 . 1 . . . . . 97 A H2 . 50760 2
54 . 1 . 1 4 4 A H2' H 1 4.593 0.020 . 1 . . . . . 97 A H2' . 50760 2
55 . 1 . 1 4 4 A H3' H 1 4.614 0.020 . 1 . . . . . 97 A H3' . 50760 2
56 . 1 . 1 4 4 A H4' H 1 4.504 0.020 . 1 . . . . . 97 A H4' . 50760 2
57 . 1 . 1 4 4 A H5' H 1 4.548 0.020 . 2 . . . . . 97 A H5' . 50760 2
58 . 1 . 1 4 4 A H5'' H 1 4.143 0.020 . 2 . . . . . 97 A H5'' . 50760 2
59 . 1 . 1 4 4 A H8 H 1 8.002 0.020 . 1 . . . . . 97 A H8 . 50760 2
60 . 1 . 1 4 4 A C1' C 13 93.043 0.3 . 1 . . . . . 97 A C1' . 50760 2
61 . 1 . 1 4 4 A C2 C 13 153.134 0.3 . 1 . . . . . 97 A C2 . 50760 2
62 . 1 . 1 4 4 A C2' C 13 75.561 0.3 . 1 . . . . . 97 A C2' . 50760 2
63 . 1 . 1 4 4 A C3' C 13 72.949 0.3 . 1 . . . . . 97 A C3' . 50760 2
64 . 1 . 1 4 4 A C4' C 13 81.986 0.3 . 1 . . . . . 97 A C4' . 50760 2
65 . 1 . 1 4 4 A C5' C 13 65.019 0.3 . 1 . . . . . 97 A C5' . 50760 2
66 . 1 . 1 4 4 A C8 C 13 139.299 0.3 . 1 . . . . . 97 A C8 . 50760 2
67 . 1 . 1 4 4 A N1 N 15 222.158 0.3 . 1 . . . . . 97 A N1 . 50760 2
68 . 1 . 1 4 4 A N3 N 15 213.040 0.3 . 1 . . . . . 97 A N3 . 50760 2
69 . 1 . 1 4 4 A N7 N 15 230.443 0.3 . 1 . . . . . 97 A N7 . 50760 2
70 . 1 . 1 4 4 A N9 N 15 170.628 0.3 . 1 . . . . . 97 A N9 . 50760 2
71 . 1 . 1 4 4 A P P 31 -0.897 0.3 . 1 . . . . . 97 A P . 50760 2
72 . 1 . 1 5 5 C H1' H 1 5.352 0.020 . 1 . . . . . 98 C H1' . 50760 2
73 . 1 . 1 5 5 C H2' H 1 4.177 0.020 . 1 . . . . . 98 C H2' . 50760 2
74 . 1 . 1 5 5 C H3' H 1 4.339 0.020 . 1 . . . . . 98 C H3' . 50760 2
75 . 1 . 1 5 5 C H4' H 1 4.398 0.020 . 1 . . . . . 98 C H4' . 50760 2
76 . 1 . 1 5 5 C H5 H 1 5.205 0.020 . 1 . . . . . 98 C H5 . 50760 2
77 . 1 . 1 5 5 C H6 H 1 7.468 0.020 . 1 . . . . . 98 C H6 . 50760 2
78 . 1 . 1 5 5 C C1' C 13 93.913 0.3 . 1 . . . . . 98 C C1' . 50760 2
79 . 1 . 1 5 5 C C2' C 13 75.485 0.3 . 1 . . . . . 98 C C2' . 50760 2
80 . 1 . 1 5 5 C C3' C 13 72.229 0.3 . 1 . . . . . 98 C C3' . 50760 2
81 . 1 . 1 5 5 C C4 C 13 168.551 0.3 . 1 . . . . . 98 C C4 . 50760 2
82 . 1 . 1 5 5 C C4' C 13 81.813 0.3 . 1 . . . . . 98 C C4' . 50760 2
83 . 1 . 1 5 5 C C5 C 13 97.246 0.3 . 1 . . . . . 98 C C5 . 50760 2
84 . 1 . 1 5 5 C C6 C 13 140.768 0.3 . 1 . . . . . 98 C C6 . 50760 2
85 . 1 . 1 5 5 C N3 N 15 197.499 0.3 . 1 . . . . . 98 C N3 . 50760 2
86 . 1 . 1 5 5 C P P 31 -1.328 0.3 . 1 . . . . . 98 C P . 50760 2
87 . 1 . 1 6 6 U H1' H 1 5.562 0.020 . 1 . . . . . 99 U H1' . 50760 2
88 . 1 . 1 6 6 U H2' H 1 4.171 0.020 . 1 . . . . . 99 U H2' . 50760 2
89 . 1 . 1 6 6 U H3' H 1 4.556 0.020 . 1 . . . . . 99 U H3' . 50760 2
90 . 1 . 1 6 6 U H4' H 1 4.381 0.020 . 1 . . . . . 99 U H4' . 50760 2
91 . 1 . 1 6 6 U H5 H 1 5.324 0.020 . 1 . . . . . 99 U H5 . 50760 2
92 . 1 . 1 6 6 U H6 H 1 7.834 0.020 . 1 . . . . . 99 U H6 . 50760 2
93 . 1 . 1 6 6 U C1' C 13 93.398 0.3 . 1 . . . . . 99 U C1' . 50760 2
94 . 1 . 1 6 6 U C2 C 13 152.773 0.3 . 1 . . . . . 99 U C2 . 50760 2
95 . 1 . 1 6 6 U C2' C 13 75.557 0.3 . 1 . . . . . 99 U C2' . 50760 2
96 . 1 . 1 6 6 U C3' C 13 72.426 0.3 . 1 . . . . . 99 U C3' . 50760 2
97 . 1 . 1 6 6 U C4 C 13 169.318 0.3 . 1 . . . . . 99 U C4 . 50760 2
98 . 1 . 1 6 6 U C4' C 13 82.329 0.3 . 1 . . . . . 99 U C4' . 50760 2
99 . 1 . 1 6 6 U C5 C 13 103.240 0.3 . 1 . . . . . 99 U C5 . 50760 2
100 . 1 . 1 6 6 U C5' C 13 67.592 0.3 . 1 . . . . . 99 U C5' . 50760 2
101 . 1 . 1 6 6 U C6 C 13 142.250 0.3 . 1 . . . . . 99 U C6 . 50760 2
102 . 1 . 1 6 6 U N3 N 15 160.644 0.3 . 1 . . . . . 99 U N3 . 50760 2
103 . 1 . 1 6 6 U P P 31 -1.518 0.3 . 1 . . . . . 99 U P . 50760 2
104 . 1 . 1 7 7 C H1' H 1 5.806 0.020 . 1 . . . . . 100 C H1' . 50760 2
105 . 1 . 1 7 7 C H2' H 1 4.538 0.020 . 1 . . . . . 100 C H2' . 50760 2
106 . 1 . 1 7 7 C H3' H 1 4.468 0.020 . 1 . . . . . 100 C H3' . 50760 2
107 . 1 . 1 7 7 C H4' H 1 4.396 0.020 . 1 . . . . . 100 C H4' . 50760 2
108 . 1 . 1 7 7 C H5 H 1 5.563 0.020 . 1 . . . . . 100 C H5 . 50760 2
109 . 1 . 1 7 7 C H5' H 1 4.500 0.020 . 2 . . . . . 100 C H5' . 50760 2
110 . 1 . 1 7 7 C H5'' H 1 4.130 0.020 . 2 . . . . . 100 C H5'' . 50760 2
111 . 1 . 1 7 7 C H6 H 1 7.788 0.020 . 1 . . . . . 100 C H6 . 50760 2
112 . 1 . 1 7 7 C C1' C 13 93.271 0.3 . 1 . . . . . 100 C C1' . 50760 2
113 . 1 . 1 7 7 C C2 C 13 158.270 0.3 . 1 . . . . . 100 C C2 . 50760 2
114 . 1 . 1 7 7 C C2' C 13 76.093 0.3 . 1 . . . . . 100 C C2' . 50760 2
115 . 1 . 1 7 7 C C3' C 13 72.665 0.3 . 1 . . . . . 100 C C3' . 50760 2
116 . 1 . 1 7 7 C C4 C 13 166.870 0.3 . 1 . . . . . 100 C C4 . 50760 2
117 . 1 . 1 7 7 C C4' C 13 81.390 0.3 . 1 . . . . . 100 C C4' . 50760 2
118 . 1 . 1 7 7 C C5 C 13 97.588 0.3 . 1 . . . . . 100 C C5 . 50760 2
119 . 1 . 1 7 7 C C5' C 13 65.083 0.3 . 1 . . . . . 100 C C5' . 50760 2
120 . 1 . 1 7 7 C C6 C 13 141.788 0.3 . 1 . . . . . 100 C C6 . 50760 2
121 . 1 . 1 7 7 C P P 31 -0.958 0.3 . 1 . . . . . 100 C P . 50760 2
122 . 1 . 1 8 8 G H1' H 1 5.638 0.020 . 1 . . . . . 101 G H1' . 50760 2
123 . 1 . 1 8 8 G H2' H 1 4.723 0.020 . 1 . . . . . 101 G H2' . 50760 2
124 . 1 . 1 8 8 G H3' H 1 4.288 0.020 . 1 . . . . . 101 G H3' . 50760 2
125 . 1 . 1 8 8 G H4' H 1 4.496 0.020 . 1 . . . . . 101 G H4' . 50760 2
126 . 1 . 1 8 8 G H5' H 1 4.295 0.020 . 2 . . . . . 101 G H5' . 50760 2
127 . 1 . 1 8 8 G H5'' H 1 4.090 0.020 . 2 . . . . . 101 G H5'' . 50760 2
128 . 1 . 1 8 8 G H8 H 1 7.448 0.020 . 1 . . . . . 101 G H8 . 50760 2
129 . 1 . 1 8 8 G C1' C 13 93.374 0.3 . 1 . . . . . 101 G C1' . 50760 2
130 . 1 . 1 8 8 G C2' C 13 74.819 0.3 . 1 . . . . . 101 G C2' . 50760 2
131 . 1 . 1 8 8 G C3' C 13 73.676 0.3 . 1 . . . . . 101 G C3' . 50760 2
132 . 1 . 1 8 8 G C4' C 13 82.815 0.3 . 1 . . . . . 101 G C4' . 50760 2
133 . 1 . 1 8 8 G C5' C 13 67.660 0.3 . 1 . . . . . 101 G C5' . 50760 2
134 . 1 . 1 8 8 G C8 C 13 137.090 0.3 . 1 . . . . . 101 G C8 . 50760 2
135 . 1 . 1 8 8 G N7 N 15 233.777 0.3 . 1 . . . . . 101 G N7 . 50760 2
136 . 1 . 1 8 8 G N9 N 15 169.040 0.3 . 1 . . . . . 101 G N9 . 50760 2
137 . 1 . 1 8 8 G P P 31 -0.398 0.3 . 1 . . . . . 101 G P . 50760 2
138 . 1 . 1 9 9 G H1' H 1 5.690 0.020 . 1 . . . . . 102 G H1' . 50760 2
139 . 1 . 1 9 9 G H2' H 1 4.486 0.020 . 1 . . . . . 102 G H2' . 50760 2
140 . 1 . 1 9 9 G H3' H 1 4.286 0.020 . 1 . . . . . 102 G H3' . 50760 2
141 . 1 . 1 9 9 G H4' H 1 4.409 0.020 . 1 . . . . . 102 G H4' . 50760 2
142 . 1 . 1 9 9 G H5' H 1 4.486 0.020 . 2 . . . . . 102 G H5' . 50760 2
143 . 1 . 1 9 9 G H5'' H 1 4.087 0.020 . 2 . . . . . 102 G H5'' . 50760 2
144 . 1 . 1 9 9 G H8 H 1 7.207 0.020 . 1 . . . . . 102 G H8 . 50760 2
145 . 1 . 1 9 9 G C1' C 13 93.113 0.3 . 1 . . . . . 102 G C1' . 50760 2
146 . 1 . 1 9 9 G C2' C 13 75.165 0.3 . 1 . . . . . 102 G C2' . 50760 2
147 . 1 . 1 9 9 G C3' C 13 73.511 0.3 . 1 . . . . . 102 G C3' . 50760 2
148 . 1 . 1 9 9 G C4' C 13 83.408 0.3 . 1 . . . . . 102 G C4' . 50760 2
149 . 1 . 1 9 9 G C5' C 13 64.321 0.3 . 1 . . . . . 102 G C5' . 50760 2
150 . 1 . 1 9 9 G C8 C 13 136.182 0.3 . 1 . . . . . 102 G C8 . 50760 2
151 . 1 . 1 9 9 G N7 N 15 233.988 0.3 . 1 . . . . . 102 G N7 . 50760 2
152 . 1 . 1 9 9 G N9 N 15 169.557 0.3 . 1 . . . . . 102 G N9 . 50760 2
153 . 1 . 1 9 9 G P P 31 -1.212 0.3 . 1 . . . . . 102 G P . 50760 2
154 . 1 . 1 10 10 C H1' H 1 5.566 0.020 . 1 . . . . . 103 C H1' . 50760 2
155 . 1 . 1 10 10 C H2' H 1 4.386 0.020 . 1 . . . . . 103 C H2' . 50760 2
156 . 1 . 1 10 10 C H3' H 1 4.344 0.020 . 1 . . . . . 103 C H3' . 50760 2
157 . 1 . 1 10 10 C H4' H 1 4.384 0.020 . 1 . . . . . 103 C H4' . 50760 2
158 . 1 . 1 10 10 C H5 H 1 5.172 0.020 . 1 . . . . . 103 C H5 . 50760 2
159 . 1 . 1 10 10 C H5' H 1 4.510 0.020 . 2 . . . . . 103 C H5' . 50760 2
160 . 1 . 1 10 10 C H5'' H 1 4.045 0.020 . 2 . . . . . 103 C H5'' . 50760 2
161 . 1 . 1 10 10 C H6 H 1 7.461 0.020 . 1 . . . . . 103 C H6 . 50760 2
162 . 1 . 1 10 10 C C1' C 13 94.191 0.3 . 1 . . . . . 103 C C1' . 50760 2
163 . 1 . 1 10 10 C C2' C 13 75.535 0.3 . 1 . . . . . 103 C C2' . 50760 2
164 . 1 . 1 10 10 C C3' C 13 72.380 0.3 . 1 . . . . . 103 C C3' . 50760 2
165 . 1 . 1 10 10 C C4 C 13 168.424 0.3 . 1 . . . . . 103 C C4 . 50760 2
166 . 1 . 1 10 10 C C4' C 13 81.793 0.3 . 1 . . . . . 103 C C4' . 50760 2
167 . 1 . 1 10 10 C C5 C 13 97.423 0.3 . 1 . . . . . 103 C C5 . 50760 2
168 . 1 . 1 10 10 C C5' C 13 64.540 0.3 . 1 . . . . . 103 C C5' . 50760 2
169 . 1 . 1 10 10 C C6 C 13 140.870 0.3 . 1 . . . . . 103 C C6 . 50760 2
170 . 1 . 1 10 10 C N1 N 15 150.914 0.3 . 1 . . . . . 103 C N1 . 50760 2
171 . 1 . 1 10 10 C N3 N 15 197.167 0.3 . 1 . . . . . 103 C N3 . 50760 2
172 . 1 . 1 10 10 C P P 31 -1.349 0.3 . 1 . . . . . 103 C P . 50760 2
173 . 1 . 1 11 11 U H1' H 1 5.695 0.020 . 1 . . . . . 104 U H1' . 50760 2
174 . 1 . 1 11 11 U H2' H 1 4.260 0.020 . 1 . . . . . 104 U H2' . 50760 2
175 . 1 . 1 11 11 U H3' H 1 4.523 0.020 . 1 . . . . . 104 U H3' . 50760 2
176 . 1 . 1 11 11 U H4' H 1 4.406 0.020 . 1 . . . . . 104 U H4' . 50760 2
177 . 1 . 1 11 11 U H5 H 1 5.463 0.020 . 2 . . . . . 104 U H5 . 50760 2
178 . 1 . 1 11 11 U H5' H 1 4.383 0.020 . 2 . . . . . 104 U H5' . 50760 2
179 . 1 . 1 11 11 U H5'' H 1 4.068 0.020 . 2 . . . . . 104 U H5'' . 50760 2
180 . 1 . 1 11 11 U H6 H 1 7.648 0.020 . 1 . . . . . 104 U H6 . 50760 2
181 . 1 . 1 11 11 U C1' C 13 92.603 0.3 . 1 . . . . . 104 U C1' . 50760 2
182 . 1 . 1 11 11 U C2 C 13 153.525 0.3 . 1 . . . . . 104 U C2 . 50760 2
183 . 1 . 1 11 11 U C2' C 13 75.682 0.3 . 1 . . . . . 104 U C2' . 50760 2
184 . 1 . 1 11 11 U C3' C 13 74.753 0.3 . 1 . . . . . 104 U C3' . 50760 2
185 . 1 . 1 11 11 U C4 C 13 167.855 0.3 . 1 . . . . . 104 U C4 . 50760 2
186 . 1 . 1 11 11 U C4' C 13 83.537 0.3 . 1 . . . . . 104 U C4' . 50760 2
187 . 1 . 1 11 11 U C5 C 13 104.717 0.3 . 1 . . . . . 104 U C5 . 50760 2
188 . 1 . 1 11 11 U C5' C 13 65.725 0.3 . 1 . . . . . 104 U C5' . 50760 2
189 . 1 . 1 11 11 U C6 C 13 141.470 0.3 . 1 . . . . . 104 U C6 . 50760 2
190 . 1 . 1 11 11 U N3 N 15 158.669 0.3 . 1 . . . . . 104 U N3 . 50760 2
191 . 1 . 1 11 11 U P P 31 -1.191 0.3 . 1 . . . . . 104 U P . 50760 2
192 . 1 . 1 12 12 G H1' H 1 5.675 0.020 . 1 . . . . . 105 G H1' . 50760 2
193 . 1 . 1 12 12 G H2' H 1 4.770 0.020 . 1 . . . . . 105 G H2' . 50760 2
194 . 1 . 1 12 12 G H3' H 1 4.528 0.020 . 1 . . . . . 105 G H3' . 50760 2
195 . 1 . 1 12 12 G H4' H 1 4.375 0.020 . 1 . . . . . 105 G H4' . 50760 2
196 . 1 . 1 12 12 G H5' H 1 4.225 0.020 . 2 . . . . . 105 G H5' . 50760 2
197 . 1 . 1 12 12 G H5'' H 1 4.055 0.020 . 2 . . . . . 105 G H5'' . 50760 2
198 . 1 . 1 12 12 G H8 H 1 7.924 0.020 . 1 . . . . . 105 G H8 . 50760 2
199 . 1 . 1 12 12 G C1' C 13 89.264 0.3 . 1 . . . . . 105 G C1' . 50760 2
200 . 1 . 1 12 12 G C2' C 13 75.153 0.3 . 1 . . . . . 105 G C2' . 50760 2
201 . 1 . 1 12 12 G C3' C 13 77.693 0.3 . 1 . . . . . 105 G C3' . 50760 2
202 . 1 . 1 12 12 G C4' C 13 85.556 0.3 . 1 . . . . . 105 G C4' . 50760 2
203 . 1 . 1 12 12 G C5' C 13 67.451 0.3 . 1 . . . . . 105 G C5' . 50760 2
204 . 1 . 1 12 12 G C8 C 13 140.076 0.3 . 1 . . . . . 105 G C8 . 50760 2
205 . 1 . 1 12 12 G N7 N 15 236.826 0.3 . 1 . . . . . 105 G N7 . 50760 2
206 . 1 . 1 12 12 G N9 N 15 166.277 0.3 . 1 . . . . . 105 G N9 . 50760 2
207 . 1 . 1 12 12 G P P 31 -0.740 0.3 . 1 . . . . . 105 G P . 50760 2
208 . 1 . 1 13 13 C H1' H 1 5.560 0.020 . 1 . . . . . 106 C H1' . 50760 2
209 . 1 . 1 13 13 C H2' H 1 4.010 0.020 . 1 . . . . . 106 C H2' . 50760 2
210 . 1 . 1 13 13 C H3' H 1 4.463 0.020 . 1 . . . . . 106 C H3' . 50760 2
211 . 1 . 1 13 13 C H4' H 1 3.897 0.020 . 1 . . . . . 106 C H4' . 50760 2
212 . 1 . 1 13 13 C H5 H 1 5.719 0.020 . 1 . . . . . 106 C H5 . 50760 2
213 . 1 . 1 13 13 C H5' H 1 3.880 0.020 . 2 . . . . . 106 C H5' . 50760 2
214 . 1 . 1 13 13 C H5'' H 1 3.737 0.020 . 2 . . . . . 106 C H5'' . 50760 2
215 . 1 . 1 13 13 C H6 H 1 7.496 0.020 . 1 . . . . . 106 C H6 . 50760 2
216 . 1 . 1 13 13 C C1' C 13 89.711 0.3 . 1 . . . . . 106 C C1' . 50760 2
217 . 1 . 1 13 13 C C2 C 13 159.789 0.3 . 1 . . . . . 106 C C2 . 50760 2
218 . 1 . 1 13 13 C C2' C 13 77.009 0.3 . 1 . . . . . 106 C C2' . 50760 2
219 . 1 . 1 13 13 C C3' C 13 78.266 0.3 . 1 . . . . . 106 C C3' . 50760 2
220 . 1 . 1 13 13 C C4 C 13 167.987 0.3 . 1 . . . . . 106 C C4 . 50760 2
221 . 1 . 1 13 13 C C4' C 13 84.620 0.3 . 1 . . . . . 106 C C4' . 50760 2
222 . 1 . 1 13 13 C C5 C 13 98.765 0.3 . 1 . . . . . 106 C C5 . 50760 2
223 . 1 . 1 13 13 C C5' C 13 67.790 0.3 . 1 . . . . . 106 C C5' . 50760 2
224 . 1 . 1 13 13 C C6 C 13 143.335 0.3 . 1 . . . . . 106 C C6 . 50760 2
225 . 1 . 1 13 13 C N3 N 15 199.566 0.3 . 1 . . . . . 106 C N3 . 50760 2
226 . 1 . 1 13 13 C P P 31 -0.891 0.3 . 1 . . . . . 106 C P . 50760 2
227 . 1 . 1 14 14 A H1' H 1 6.045 0.020 . 1 . . . . . 107 A H1' . 50760 2
228 . 1 . 1 14 14 A H2 H 1 8.034 0.020 . 1 . . . . . 107 A H2 . 50760 2
229 . 1 . 1 14 14 A H2' H 1 4.958 0.020 . 1 . . . . . 107 A H2' . 50760 2
230 . 1 . 1 14 14 A H3' H 1 5.048 0.020 . 1 . . . . . 107 A H3' . 50760 2
231 . 1 . 1 14 14 A H4' H 1 4.465 0.020 . 1 . . . . . 107 A H4' . 50760 2
232 . 1 . 1 14 14 A H5' H 1 4.175 0.020 . 2 . . . . . 107 A H5' . 50760 2
233 . 1 . 1 14 14 A H5'' H 1 4.036 0.020 . 2 . . . . . 107 A H5'' . 50760 2
234 . 1 . 1 14 14 A H8 H 1 8.208 0.020 . 1 . . . . . 107 A H8 . 50760 2
235 . 1 . 1 14 14 A C1' C 13 90.228 0.3 . 1 . . . . . 107 A C1' . 50760 2
236 . 1 . 1 14 14 A C2 C 13 155.135 0.3 . 1 . . . . . 107 A C2 . 50760 2
237 . 1 . 1 14 14 A C2' C 13 76.030 0.3 . 1 . . . . . 107 A C2' . 50760 2
238 . 1 . 1 14 14 A C3' C 13 76.980 0.3 . 1 . . . . . 107 A C3' . 50760 2
239 . 1 . 1 14 14 A C4' C 13 84.895 0.3 . 1 . . . . . 107 A C4' . 50760 2
240 . 1 . 1 14 14 A C5' C 13 68.184 0.3 . 1 . . . . . 107 A C5' . 50760 2
241 . 1 . 1 14 14 A C8 C 13 142.033 0.3 . 1 . . . . . 107 A C8 . 50760 2
242 . 1 . 1 14 14 A N1 N 15 224.128 0.3 . 1 . . . . . 107 A N1 . 50760 2
243 . 1 . 1 14 14 A N3 N 15 217.105 0.3 . 1 . . . . . 107 A N3 . 50760 2
244 . 1 . 1 14 14 A N7 N 15 232.402 0.3 . 1 . . . . . 107 A N7 . 50760 2
245 . 1 . 1 14 14 A N9 N 15 169.758 0.3 . 1 . . . . . 107 A N9 . 50760 2
246 . 1 . 1 14 14 A P P 31 -0.958 0.3 . 1 . . . . . 107 A P . 50760 2
247 . 1 . 1 15 15 U H1' H 1 5.915 0.020 . 1 . . . . . 108 U H1' . 50760 2
248 . 1 . 1 15 15 U H2' H 1 4.554 0.020 . 1 . . . . . 108 U H2' . 50760 2
249 . 1 . 1 15 15 U H3' H 1 4.683 0.020 . 1 . . . . . 108 U H3' . 50760 2
250 . 1 . 1 15 15 U H4' H 1 4.555 0.020 . 1 . . . . . 108 U H4' . 50760 2
251 . 1 . 1 15 15 U H5 H 1 5.906 0.020 . 1 . . . . . 108 U H5 . 50760 2
252 . 1 . 1 15 15 U H5' H 1 4.334 0.020 . 2 . . . . . 108 U H5' . 50760 2
253 . 1 . 1 15 15 U H5'' H 1 4.285 0.020 . 2 . . . . . 108 U H5'' . 50760 2
254 . 1 . 1 15 15 U H6 H 1 7.852 0.020 . 1 . . . . . 108 U H6 . 50760 2
255 . 1 . 1 15 15 U C1' C 13 91.787 0.3 . 1 . . . . . 108 U C1' . 50760 2
256 . 1 . 1 15 15 U C2 C 13 154.110 0.3 . 1 . . . . . 108 U C2 . 50760 2
257 . 1 . 1 15 15 U C2' C 13 75.372 0.3 . 1 . . . . . 108 U C2' . 50760 2
258 . 1 . 1 15 15 U C3' C 13 76.331 0.3 . 1 . . . . . 108 U C3' . 50760 2
259 . 1 . 1 15 15 U C4 C 13 168.759 0.3 . 1 . . . . . 108 U C4 . 50760 2
260 . 1 . 1 15 15 U C5 C 13 105.242 0.3 . 1 . . . . . 108 U C5 . 50760 2
261 . 1 . 1 15 15 U C5' C 13 68.155 0.3 . 1 . . . . . 108 U C5' . 50760 2
262 . 1 . 1 15 15 U C6 C 13 144.177 0.3 . 1 . . . . . 108 U C6 . 50760 2
263 . 1 . 1 15 15 U N3 N 15 157.317 0.3 . 1 . . . . . 108 U N3 . 50760 2
264 . 1 . 1 15 15 U P P 31 -0.827 0.3 . 1 . . . . . 108 U P . 50760 2
265 . 1 . 1 16 16 G H1' H 1 5.274 0.020 . 1 . . . . . 109 G H1' . 50760 2
266 . 1 . 1 16 16 G H2' H 1 4.557 0.020 . 1 . . . . . 109 G H2' . 50760 2
267 . 1 . 1 16 16 G H3' H 1 4.390 0.020 . 1 . . . . . 109 G H3' . 50760 2
268 . 1 . 1 16 16 G H4' H 1 4.476 0.020 . 1 . . . . . 109 G H4' . 50760 2
269 . 1 . 1 16 16 G H5' H 1 4.362 0.020 . 2 . . . . . 109 G H5' . 50760 2
270 . 1 . 1 16 16 G H5'' H 1 4.137 0.020 . 2 . . . . . 109 G H5'' . 50760 2
271 . 1 . 1 16 16 G H8 H 1 7.432 0.020 . 1 . . . . . 109 G H8 . 50760 2
272 . 1 . 1 16 16 G C1' C 13 92.693 0.3 . 1 . . . . . 109 G C1' . 50760 2
273 . 1 . 1 16 16 G C2' C 13 74.997 0.3 . 1 . . . . . 109 G C2' . 50760 2
274 . 1 . 1 16 16 G C3' C 13 73.876 0.3 . 1 . . . . . 109 G C3' . 50760 2
275 . 1 . 1 16 16 G C4' C 13 82.877 0.3 . 1 . . . . . 109 G C4' . 50760 2
276 . 1 . 1 16 16 G C5' C 13 66.926 0.3 . 1 . . . . . 109 G C5' . 50760 2
277 . 1 . 1 16 16 G C8 C 13 137.159 0.3 . 1 . . . . . 109 G C8 . 50760 2
278 . 1 . 1 16 16 G N7 N 15 234.158 0.3 . 1 . . . . . 109 G N7 . 50760 2
279 . 1 . 1 16 16 G N9 N 15 170.144 0.3 . 1 . . . . . 109 G N9 . 50760 2
280 . 1 . 1 16 16 G P P 31 -0.672 0.3 . 1 . . . . . 109 G P . 50760 2
281 . 1 . 1 17 17 C H1' H 1 5.569 0.020 . 1 . . . . . 110 C H1' . 50760 2
282 . 1 . 1 17 17 C H2' H 1 4.663 0.020 . 1 . . . . . 110 C H2' . 50760 2
283 . 1 . 1 17 17 C H3' H 1 4.309 0.020 . 1 . . . . . 110 C H3' . 50760 2
284 . 1 . 1 17 17 C H4' H 1 4.454 0.020 . 1 . . . . . 110 C H4' . 50760 2
285 . 1 . 1 17 17 C H5 H 1 5.213 0.020 . 1 . . . . . 110 C H5 . 50760 2
286 . 1 . 1 17 17 C H5' H 1 4.523 0.020 . 2 . . . . . 110 C H5' . 50760 2
287 . 1 . 1 17 17 C H5'' H 1 4.115 0.020 . 2 . . . . . 110 C H5'' . 50760 2
288 . 1 . 1 17 17 C H6 H 1 7.572 0.020 . 1 . . . . . 110 C H6 . 50760 2
289 . 1 . 1 17 17 C C1' C 13 93.993 0.3 . 1 . . . . . 110 C C1' . 50760 2
290 . 1 . 1 17 17 C C2 C 13 158.882 0.3 . 1 . . . . . 110 C C2 . 50760 2
291 . 1 . 1 17 17 C C2' C 13 75.399 0.3 . 1 . . . . . 110 C C2' . 50760 2
292 . 1 . 1 17 17 C C3' C 13 72.109 0.3 . 1 . . . . . 110 C C3' . 50760 2
293 . 1 . 1 17 17 C C4 C 13 168.045 0.3 . 1 . . . . . 110 C C4 . 50760 2
294 . 1 . 1 17 17 C C4' C 13 81.815 0.3 . 1 . . . . . 110 C C4' . 50760 2
295 . 1 . 1 17 17 C C5 C 13 96.872 0.3 . 1 . . . . . 110 C C5 . 50760 2
296 . 1 . 1 17 17 C C5' C 13 64.878 0.3 . 1 . . . . . 110 C C5' . 50760 2
297 . 1 . 1 17 17 C C6 C 13 141.245 0.3 . 1 . . . . . 110 C C6 . 50760 2
298 . 1 . 1 17 17 C N3 N 15 196.318 0.3 . 1 . . . . . 110 C N3 . 50760 2
299 . 1 . 1 17 17 C P P 31 -1.382 0.3 . 1 . . . . . 110 C P . 50760 2
300 . 1 . 1 18 18 U H1' H 1 5.705 0.020 . 1 . . . . . 111 U H1' . 50760 2
301 . 1 . 1 18 18 U H2' H 1 4.171 0.020 . 1 . . . . . 111 U H2' . 50760 2
302 . 1 . 1 18 18 U H3' H 1 4.465 0.020 . 1 . . . . . 111 U H3' . 50760 2
303 . 1 . 1 18 18 U H4' H 1 4.442 0.020 . 1 . . . . . 111 U H4' . 50760 2
304 . 1 . 1 18 18 U H5 H 1 5.670 0.020 . 1 . . . . . 111 U H5 . 50760 2
305 . 1 . 1 18 18 U H5' H 1 4.485 0.020 . 2 . . . . . 111 U H5' . 50760 2
306 . 1 . 1 18 18 U H5'' H 1 4.114 0.020 . 2 . . . . . 111 U H5'' . 50760 2
307 . 1 . 1 18 18 U H6 H 1 7.739 0.020 . 1 . . . . . 111 U H6 . 50760 2
308 . 1 . 1 18 18 U C1' C 13 94.448 0.3 . 1 . . . . . 111 U C1' . 50760 2
309 . 1 . 1 18 18 U C2 C 13 154.951 0.3 . 1 . . . . . 111 U C2 . 50760 2
310 . 1 . 1 18 18 U C2' C 13 75.957 0.3 . 1 . . . . . 111 U C2' . 50760 2
311 . 1 . 1 18 18 U C3' C 13 73.245 0.3 . 1 . . . . . 111 U C3' . 50760 2
312 . 1 . 1 18 18 U C4 C 13 167.792 0.3 . 1 . . . . . 111 U C4 . 50760 2
313 . 1 . 1 18 18 U C4' C 13 82.703 0.3 . 1 . . . . . 111 U C4' . 50760 2
314 . 1 . 1 18 18 U C5 C 13 104.959 0.3 . 1 . . . . . 111 U C5 . 50760 2
315 . 1 . 1 18 18 U C5' C 13 64.745 0.3 . 1 . . . . . 111 U C5' . 50760 2
316 . 1 . 1 18 18 U C6 C 13 141.165 0.3 . 1 . . . . . 111 U C6 . 50760 2
317 . 1 . 1 18 18 U N3 N 15 157.519 0.3 . 1 . . . . . 111 U N3 . 50760 2
318 . 1 . 1 18 18 U P P 31 -1.036 0.3 . 1 . . . . . 111 U P . 50760 2
319 . 1 . 1 19 19 U H1' H 1 5.493 0.020 . 1 . . . . . 112 U H1' . 50760 2
320 . 1 . 1 19 19 U H2' H 1 4.752 0.020 . 1 . . . . . 112 U H2' . 50760 2
321 . 1 . 1 19 19 U H3' H 1 4.536 0.020 . 1 . . . . . 112 U H3' . 50760 2
322 . 1 . 1 19 19 U H4' H 1 4.440 0.020 . 1 . . . . . 112 U H4' . 50760 2
323 . 1 . 1 19 19 U H5 H 1 5.440 0.020 . 2 . . . . . 112 U H5 . 50760 2
324 . 1 . 1 19 19 U H5' H 1 4.549 0.020 . 2 . . . . . 112 U H5' . 50760 2
325 . 1 . 1 19 19 U H5'' H 1 4.131 0.020 . 2 . . . . . 112 U H5'' . 50760 2
326 . 1 . 1 19 19 U H6 H 1 7.993 0.020 . 1 . . . . . 112 U H6 . 50760 2
327 . 1 . 1 19 19 U C1' C 13 93.410 0.3 . 1 . . . . . 112 U C1' . 50760 2
328 . 1 . 1 19 19 U C2 C 13 152.857 0.3 . 1 . . . . . 112 U C2 . 50760 2
329 . 1 . 1 19 19 U C2' C 13 75.461 0.3 . 1 . . . . . 112 U C2' . 50760 2
330 . 1 . 1 19 19 U C3' C 13 72.311 0.3 . 1 . . . . . 112 U C3' . 50760 2
331 . 1 . 1 19 19 U C4 C 13 167.297 0.3 . 1 . . . . . 112 U C4 . 50760 2
332 . 1 . 1 19 19 U C4' C 13 82.431 0.3 . 1 . . . . . 112 U C4' . 50760 2
333 . 1 . 1 19 19 U C5 C 13 103.244 0.3 . 1 . . . . . 112 U C5 . 50760 2
334 . 1 . 1 19 19 U C5' C 13 64.783 0.3 . 1 . . . . . 112 U C5' . 50760 2
335 . 1 . 1 19 19 U C6 C 13 142.354 0.3 . 1 . . . . . 112 U C6 . 50760 2
336 . 1 . 1 19 19 U N3 N 15 157.135 0.3 . 1 . . . . . 112 U N3 . 50760 2
337 . 1 . 1 19 19 U P P 31 -1.995 0.3 . 1 . . . . . 112 U P . 50760 2
338 . 1 . 1 20 20 A H1' H 1 5.937 0.020 . 1 . . . . . 113 A H1' . 50760 2
339 . 1 . 1 20 20 A H2 H 1 7.347 0.020 . 1 . . . . . 113 A H2 . 50760 2
340 . 1 . 1 20 20 A H2' H 1 4.827 0.020 . 1 . . . . . 113 A H2' . 50760 2
341 . 1 . 1 20 20 A H3' H 1 4.660 0.020 . 1 . . . . . 113 A H3' . 50760 2
342 . 1 . 1 20 20 A H4' H 1 4.542 0.020 . 1 . . . . . 113 A H4' . 50760 2
343 . 1 . 1 20 20 A H5' H 1 4.457 0.020 . 2 . . . . . 113 A H5' . 50760 2
344 . 1 . 1 20 20 A H5'' H 1 4.193 0.020 . 2 . . . . . 113 A H5'' . 50760 2
345 . 1 . 1 20 20 A H8 H 1 8.072 0.020 . 1 . . . . . 113 A H8 . 50760 2
346 . 1 . 1 20 20 A C1' C 13 93.053 0.3 . 1 . . . . . 113 A C1' . 50760 2
347 . 1 . 1 20 20 A C2 C 13 153.452 0.3 . 1 . . . . . 113 A C2 . 50760 2
348 . 1 . 1 20 20 A C2' C 13 75.248 0.3 . 1 . . . . . 113 A C2' . 50760 2
349 . 1 . 1 20 20 A C3' C 13 73.376 0.3 . 1 . . . . . 113 A C3' . 50760 2
350 . 1 . 1 20 20 A C4' C 13 82.268 0.3 . 1 . . . . . 113 A C4' . 50760 2
351 . 1 . 1 20 20 A C5' C 13 65.813 0.3 . 1 . . . . . 113 A C5' . 50760 2
352 . 1 . 1 20 20 A C8 C 13 139.355 0.3 . 1 . . . . . 113 A C8 . 50760 2
353 . 1 . 1 20 20 A N1 N 15 222.555 0.3 . 1 . . . . . 113 A N1 . 50760 2
354 . 1 . 1 20 20 A N3 N 15 213.224 0.3 . 1 . . . . . 113 A N3 . 50760 2
355 . 1 . 1 20 20 A N7 N 15 230.904 0.3 . 1 . . . . . 113 A N7 . 50760 2
356 . 1 . 1 20 20 A N9 N 15 170.478 0.3 . 1 . . . . . 113 A N9 . 50760 2
357 . 1 . 1 20 20 A P P 31 -0.652 0.3 . 1 . . . . . 113 A P . 50760 2
358 . 1 . 1 21 21 G H1' H 1 5.629 0.020 . 1 . . . . . 114 G H1' . 50760 2
359 . 1 . 1 21 21 G H2' H 1 4.386 0.020 . 1 . . . . . 114 G H2' . 50760 2
360 . 1 . 1 21 21 G H3' H 1 4.473 0.020 . 1 . . . . . 114 G H3' . 50760 2
361 . 1 . 1 21 21 G H4' H 1 4.491 0.020 . 1 . . . . . 114 G H4' . 50760 2
362 . 1 . 1 21 21 G H5' H 1 4.544 0.020 . 2 . . . . . 114 G H5' . 50760 2
363 . 1 . 1 21 21 G H5'' H 1 4.121 0.020 . 2 . . . . . 114 G H5'' . 50760 2
364 . 1 . 1 21 21 G H8 H 1 7.290 0.020 . 1 . . . . . 114 G H8 . 50760 2
365 . 1 . 1 21 21 G C1' C 13 92.871 0.3 . 1 . . . . . 114 G C1' . 50760 2
366 . 1 . 1 21 21 G C2' C 13 75.334 0.3 . 1 . . . . . 114 G C2' . 50760 2
367 . 1 . 1 21 21 G C3' C 13 72.497 0.3 . 1 . . . . . 114 G C3' . 50760 2
368 . 1 . 1 21 21 G C4' C 13 81.744 0.3 . 1 . . . . . 114 G C4' . 50760 2
369 . 1 . 1 21 21 G C5' C 13 64.983 0.3 . 1 . . . . . 114 G C5' . 50760 2
370 . 1 . 1 21 21 G C8 C 13 135.997 0.3 . 1 . . . . . 114 G C8 . 50760 2
371 . 1 . 1 21 21 G N7 N 15 234.665 0.3 . 1 . . . . . 114 G N7 . 50760 2
372 . 1 . 1 21 21 G N9 N 15 169.448 0.3 . 1 . . . . . 114 G N9 . 50760 2
373 . 1 . 1 21 21 G P P 31 -1.045 0.3 . 1 . . . . . 114 G P . 50760 2
374 . 1 . 1 22 22 U H1' H 1 5.532 0.020 . 1 . . . . . 115 U H1' . 50760 2
375 . 1 . 1 22 22 U H2' H 1 4.619 0.020 . 1 . . . . . 115 U H2' . 50760 2
376 . 1 . 1 22 22 U H3' H 1 4.553 0.020 . 1 . . . . . 115 U H3' . 50760 2
377 . 1 . 1 22 22 U H4' H 1 4.459 0.020 . 1 . . . . . 115 U H4' . 50760 2
378 . 1 . 1 22 22 U H5 H 1 5.050 0.020 . 2 . . . . . 115 U H5 . 50760 2
379 . 1 . 1 22 22 U H5' H 1 4.558 0.020 . 2 . . . . . 115 U H5' . 50760 2
380 . 1 . 1 22 22 U H5'' H 1 4.095 0.020 . 2 . . . . . 115 U H5'' . 50760 2
381 . 1 . 1 22 22 U H6 H 1 7.710 0.020 . 1 . . . . . 115 U H6 . 50760 2
382 . 1 . 1 22 22 U C1' C 13 93.470 0.3 . 1 . . . . . 115 U C1' . 50760 2
383 . 1 . 1 22 22 U C2 C 13 152.564 0.3 . 1 . . . . . 115 U C2 . 50760 2
384 . 1 . 1 22 22 U C2' C 13 75.267 0.3 . 1 . . . . . 115 U C2' . 50760 2
385 . 1 . 1 22 22 U C3' C 13 72.105 0.3 . 1 . . . . . 115 U C3' . 50760 2
386 . 1 . 1 22 22 U C4 C 13 168.833 0.3 . 1 . . . . . 115 U C4 . 50760 2
387 . 1 . 1 22 22 U C4' C 13 82.081 0.3 . 1 . . . . . 115 U C4' . 50760 2
388 . 1 . 1 22 22 U C5 C 13 103.066 0.3 . 1 . . . . . 115 U C5 . 50760 2
389 . 1 . 1 22 22 U C5' C 13 64.235 0.3 . 1 . . . . . 115 U C5' . 50760 2
390 . 1 . 1 22 22 U C6 C 13 140.995 0.3 . 1 . . . . . 115 U C6 . 50760 2
391 . 1 . 1 22 22 U N3 N 15 161.207 0.3 . 1 . . . . . 115 U N3 . 50760 2
392 . 1 . 1 22 22 U P P 31 -1.532 0.3 . 1 . . . . . 115 U P . 50760 2
393 . 1 . 1 23 23 G H1' H 1 5.804 0.020 . 1 . . . . . 116 G H1' . 50760 2
394 . 1 . 1 23 23 G H2' H 1 4.550 0.020 . 1 . . . . . 116 G H2' . 50760 2
395 . 1 . 1 23 23 G H3' H 1 4.575 0.020 . 1 . . . . . 116 G H3' . 50760 2
396 . 1 . 1 23 23 G H4' H 1 4.491 0.020 . 1 . . . . . 116 G H4' . 50760 2
397 . 1 . 1 23 23 G H5' H 1 4.582 0.020 . 2 . . . . . 116 G H5' . 50760 2
398 . 1 . 1 23 23 G H5'' H 1 4.124 0.020 . 2 . . . . . 116 G H5'' . 50760 2
399 . 1 . 1 23 23 G H8 H 1 7.694 0.020 . 1 . . . . . 116 G H8 . 50760 2
400 . 1 . 1 23 23 G C1' C 13 92.892 0.3 . 1 . . . . . 116 G C1' . 50760 2
401 . 1 . 1 23 23 G C2' C 13 75.168 0.3 . 1 . . . . . 116 G C2' . 50760 2
402 . 1 . 1 23 23 G C3' C 13 72.929 0.3 . 1 . . . . . 116 G C3' . 50760 2
403 . 1 . 1 23 23 G C4' C 13 82.098 0.3 . 1 . . . . . 116 G C4' . 50760 2
404 . 1 . 1 23 23 G C5' C 13 64.420 0.3 . 1 . . . . . 116 G C5' . 50760 2
405 . 1 . 1 23 23 G C8 C 13 136.037 0.3 . 1 . . . . . 116 G C8 . 50760 2
406 . 1 . 1 23 23 G N7 N 15 234.818 0.3 . 1 . . . . . 116 G N7 . 50760 2
407 . 1 . 1 23 23 G N9 N 15 169.491 0.3 . 1 . . . . . 116 G N9 . 50760 2
408 . 1 . 1 23 23 G P P 31 -1.310 0.3 . 1 . . . . . 116 G P . 50760 2
409 . 1 . 1 24 24 C H1' H 1 5.476 0.020 . 1 . . . . . +1 C H1' . 50760 2
410 . 1 . 1 24 24 C H2' H 1 4.174 0.020 . 1 . . . . . +1 C H2' . 50760 2
411 . 1 . 1 24 24 C H3' H 1 4.426 0.020 . 1 . . . . . +1 C H3' . 50760 2
412 . 1 . 1 24 24 C H4' H 1 4.373 0.020 . 1 . . . . . +1 C H4' . 50760 2
413 . 1 . 1 24 24 C H5 H 1 5.234 0.020 . 1 . . . . . +1 C H5 . 50760 2
414 . 1 . 1 24 24 C H5' H 1 4.560 0.020 . 2 . . . . . +1 C H5' . 50760 2
415 . 1 . 1 24 24 C H5'' H 1 4.043 0.020 . 2 . . . . . +1 C H5'' . 50760 2
416 . 1 . 1 24 24 C H6 H 1 7.649 0.020 . 1 . . . . . +1 C H6 . 50760 2
417 . 1 . 1 24 24 C C1' C 13 94.331 0.3 . 1 . . . . . +1 C C1' . 50760 2
418 . 1 . 1 24 24 C C2 C 13 158.784 0.3 . 1 . . . . . +1 C C2 . 50760 2
419 . 1 . 1 24 24 C C2' C 13 75.589 0.3 . 1 . . . . . +1 C C2' . 50760 2
420 . 1 . 1 24 24 C C3' C 13 72.043 0.3 . 1 . . . . . +1 C C3' . 50760 2
421 . 1 . 1 24 24 C C4 C 13 168.192 0.3 . 1 . . . . . +1 C C4 . 50760 2
422 . 1 . 1 24 24 C C4' C 13 82.078 0.3 . 1 . . . . . +1 C C4' . 50760 2
423 . 1 . 1 24 24 C C5 C 13 97.434 0.3 . 1 . . . . . +1 C C5 . 50760 2
424 . 1 . 1 24 24 C C5' C 13 64.393 0.3 . 1 . . . . . +1 C C5' . 50760 2
425 . 1 . 1 24 24 C C6 C 13 141.120 0.3 . 1 . . . . . +1 C C6 . 50760 2
426 . 1 . 1 24 24 C N3 N 15 197.957 0.3 . 1 . . . . . +1 C N3 . 50760 2
427 . 1 . 1 24 24 C P P 31 -1.461 0.3 . 1 . . . . . +1 C P . 50760 2
428 . 1 . 1 25 25 C H1' H 1 6.093 0.020 . 1 . . . . . +2 C H1' . 50760 2
429 . 1 . 1 25 25 C H2' H 1 4.401 0.020 . 1 . . . . . +2 C H2' . 50760 2
430 . 1 . 1 25 25 C H3' H 1 4.942 0.020 . 1 . . . . . +2 C H3' . 50760 2
431 . 1 . 1 25 25 C H4' H 1 4.627 0.020 . 1 . . . . . +2 C H4' . 50760 2
432 . 1 . 1 25 25 C H5 H 1 5.530 0.020 . 1 . . . . . +2 C H5 . 50760 2
433 . 1 . 1 25 25 C H5' H 1 4.510 0.020 . 2 . . . . . +2 C H5' . 50760 2
434 . 1 . 1 25 25 C H5'' H 1 4.083 0.020 . 2 . . . . . +2 C H5'' . 50760 2
435 . 1 . 1 25 25 C H6 H 1 7.464 0.020 . 1 . . . . . +2 C H6 . 50760 2
436 . 1 . 1 25 25 C C1' C 13 91.952 0.3 . 1 . . . . . +2 C C1' . 50760 2
437 . 1 . 1 25 25 C C2' C 13 85.500 0.3 . 1 . . . . . +2 C C2' . 50760 2
438 . 1 . 1 25 25 C C3' C 13 77.838 0.3 . 1 . . . . . +2 C C3' . 50760 2
439 . 1 . 1 25 25 C C4 C 13 168.830 0.3 . 1 . . . . . +2 C C4 . 50760 2
440 . 1 . 1 25 25 C C4' C 13 85.196 0.3 . 1 . . . . . +2 C C4' . 50760 2
441 . 1 . 1 25 25 C C5 C 13 99.171 0.3 . 1 . . . . . +2 C C5 . 50760 2
442 . 1 . 1 25 25 C C5' C 13 65.606 0.3 . 1 . . . . . +2 C C5' . 50760 2
443 . 1 . 1 25 25 C C6 C 13 141.641 0.3 . 1 . . . . . +2 C C6 . 50760 2
444 . 1 . 1 25 25 C N3 N 15 196.071 0.3 . 1 . . . . . +2 C N3 . 50760 2
445 . 1 . 1 25 25 C P P 31 -1.283 0.3 . 1 . . . . . +2 C P . 50760 2
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