Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 19548
_Assigned_chem_shift_list.ID 2
_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 $chemical_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
3 '2D 1H-1H NOESY' . . . 19548 2
4 '2D 1H-1H NOESY' . . . 19548 2
11 '2D 1H-1H TOCSY' . . . 19548 2
12 '2D 1H-15N HSQC' . . . 19548 2
13 '2D 1H-15N HSQC' . . . 19548 2
14 '2D 1H-13C HSQC' . . . 19548 2
15 '2D 1H-13C HSQC' . . . 19548 2
16 '3D 1H-13C NOESY' . . . 19548 2
17 '3D 1H-13C NOESY' . . . 19548 2
20 '3D HCCH-TOCSY' . . . 19548 2
21 '3D HCCH-TOCSY' . . . 19548 2
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 . 2 2 1 1 G H1 H 1 12.636 0.000 . 1 . . . B 55 G H1 . 19548 2
2 . 2 2 1 1 G H1' H 1 5.791 0.006 . 1 . . . B 55 G H1' . 19548 2
3 . 2 2 1 1 G H2' H 1 4.873 0.003 . 1 . . . B 55 G H2' . 19548 2
4 . 2 2 1 1 G H3' H 1 4.663 0.001 . 1 . . . B 55 G H3' . 19548 2
5 . 2 2 1 1 G H4' H 1 4.528 0.000 . 1 . . . B 55 G H4' . 19548 2
6 . 2 2 1 1 G H5' H 1 4.375 0.000 . 2 . . . B 55 G H5' . 19548 2
7 . 2 2 1 1 G H5'' H 1 4.237 0.000 . 2 . . . B 55 G H5'' . 19548 2
8 . 2 2 1 1 G H8 H 1 8.091 0.008 . 1 . . . B 55 G H8 . 19548 2
9 . 2 2 1 1 G C1' C 13 92.044 0.000 . 1 . . . B 55 G C1' . 19548 2
10 . 2 2 1 1 G C2' C 13 75.285 0.006 . 1 . . . B 55 G C2' . 19548 2
11 . 2 2 1 1 G C3' C 13 74.837 0.000 . 1 . . . B 55 G C3' . 19548 2
12 . 2 2 1 1 G C4' C 13 83.360 0.000 . 1 . . . B 55 G C4' . 19548 2
13 . 2 2 1 1 G C5' C 13 67.144 0.008 . 1 . . . B 55 G C5' . 19548 2
14 . 2 2 1 1 G C8 C 13 139.200 0.000 . 1 . . . B 55 G C8 . 19548 2
15 . 2 2 1 1 G N1 N 15 147.626 0.000 . 1 . . . B 55 G N1 . 19548 2
16 . 2 2 2 2 G H1 H 1 12.766 0.006 . 1 . . . B 56 G H1 . 19548 2
17 . 2 2 2 2 G H1' H 1 5.906 0.004 . 1 . . . B 56 G H1' . 19548 2
18 . 2 2 2 2 G H2' H 1 4.716 0.002 . 1 . . . B 56 G H2' . 19548 2
19 . 2 2 2 2 G H3' H 1 4.535 0.000 . 1 . . . B 56 G H3' . 19548 2
20 . 2 2 2 2 G H4' H 1 4.516 0.001 . 1 . . . B 56 G H4' . 19548 2
21 . 2 2 2 2 G H5' H 1 4.477 0.000 . 2 . . . B 56 G H5' . 19548 2
22 . 2 2 2 2 G H5'' H 1 4.223 0.001 . 2 . . . B 56 G H5'' . 19548 2
23 . 2 2 2 2 G H8 H 1 7.526 0.004 . 1 . . . B 56 G H8 . 19548 2
24 . 2 2 2 2 G C1' C 13 92.907 0.009 . 1 . . . B 56 G C1' . 19548 2
25 . 2 2 2 2 G C2' C 13 75.720 0.014 . 1 . . . B 56 G C2' . 19548 2
26 . 2 2 2 2 G C3' C 13 73.288 0.059 . 1 . . . B 56 G C3' . 19548 2
27 . 2 2 2 2 G C4' C 13 82.433 0.033 . 1 . . . B 56 G C4' . 19548 2
28 . 2 2 2 2 G C5' C 13 66.195 0.012 . 1 . . . B 56 G C5' . 19548 2
29 . 2 2 2 2 G C8 C 13 136.978 0.000 . 1 . . . B 56 G C8 . 19548 2
30 . 2 2 2 2 G N1 N 15 147.587 0.000 . 1 . . . B 56 G N1 . 19548 2
31 . 2 2 3 3 G H1 H 1 13.183 0.001 . 1 . . . B 57 G H1 . 19548 2
32 . 2 2 3 3 G H1' H 1 5.753 0.008 . 1 . . . B 57 G H1' . 19548 2
33 . 2 2 3 3 G H2' H 1 4.502 0.010 . 1 . . . B 57 G H2' . 19548 2
34 . 2 2 3 3 G H3' H 1 4.392 0.000 . 1 . . . B 57 G H3' . 19548 2
35 . 2 2 3 3 G H4' H 1 4.491 0.000 . 1 . . . B 57 G H4' . 19548 2
36 . 2 2 3 3 G H5' H 1 4.460 0.002 . 2 . . . B 57 G H5' . 19548 2
37 . 2 2 3 3 G H5'' H 1 4.068 0.001 . 2 . . . B 57 G H5'' . 19548 2
38 . 2 2 3 3 G H8 H 1 7.150 0.006 . 1 . . . B 57 G H8 . 19548 2
39 . 2 2 3 3 G C1' C 13 93.374 0.005 . 1 . . . B 57 G C1' . 19548 2
40 . 2 2 3 3 G C2' C 13 75.431 0.012 . 1 . . . B 57 G C2' . 19548 2
41 . 2 2 3 3 G C3' C 13 73.243 0.000 . 1 . . . B 57 G C3' . 19548 2
42 . 2 2 3 3 G C4' C 13 82.404 0.033 . 1 . . . B 57 G C4' . 19548 2
43 . 2 2 3 3 G C5' C 13 65.913 0.057 . 1 . . . B 57 G C5' . 19548 2
44 . 2 2 3 3 G C8 C 13 136.247 0.017 . 1 . . . B 57 G C8 . 19548 2
45 . 2 2 3 3 G N1 N 15 148.489 0.000 . 1 . . . B 57 G N1 . 19548 2
46 . 2 2 4 4 U H1' H 1 5.531 0.009 . 1 . . . B 58 U H1' . 19548 2
47 . 2 2 4 4 U H2' H 1 4.501 0.007 . 1 . . . B 58 U H2' . 19548 2
48 . 2 2 4 4 U H3 H 1 14.178 0.003 . 1 . . . B 58 U H3 . 19548 2
49 . 2 2 4 4 U H3' H 1 4.450 0.009 . 1 . . . B 58 U H3' . 19548 2
50 . 2 2 4 4 U H4' H 1 4.395 0.002 . 1 . . . B 58 U H4' . 19548 2
51 . 2 2 4 4 U H5 H 1 5.012 0.010 . 1 . . . B 58 U H5 . 19548 2
52 . 2 2 4 4 U H5' H 1 4.508 0.001 . 2 . . . B 58 U H5' . 19548 2
53 . 2 2 4 4 U H5'' H 1 4.058 0.007 . 2 . . . B 58 U H5'' . 19548 2
54 . 2 2 4 4 U H6 H 1 7.694 0.010 . 1 . . . B 58 U H6 . 19548 2
55 . 2 2 4 4 U C1' C 13 93.629 0.048 . 1 . . . B 58 U C1' . 19548 2
56 . 2 2 4 4 U C2' C 13 75.431 0.078 . 1 . . . B 58 U C2' . 19548 2
57 . 2 2 4 4 U C3' C 13 72.282 0.020 . 1 . . . B 58 U C3' . 19548 2
58 . 2 2 4 4 U C4' C 13 82.193 0.020 . 1 . . . B 58 U C4' . 19548 2
59 . 2 2 4 4 U C5 C 13 102.638 0.092 . 1 . . . B 58 U C5 . 19548 2
60 . 2 2 4 4 U C5' C 13 64.391 0.046 . 1 . . . B 58 U C5' . 19548 2
61 . 2 2 4 4 U C6 C 13 141.756 0.059 . 1 . . . B 58 U C6 . 19548 2
62 . 2 2 4 4 U N3 N 15 162.751 0.000 . 1 . . . B 58 U N3 . 19548 2
63 . 2 2 5 5 C H1' H 1 5.541 0.009 . 1 . . . B 59 C H1' . 19548 2
64 . 2 2 5 5 C H2' H 1 4.627 0.004 . 1 . . . B 59 C H2' . 19548 2
65 . 2 2 5 5 C H3' H 1 4.502 0.003 . 1 . . . B 59 C H3' . 19548 2
66 . 2 2 5 5 C H4' H 1 4.450 0.002 . 1 . . . B 59 C H4' . 19548 2
67 . 2 2 5 5 C H5 H 1 5.625 0.012 . 1 . . . B 59 C H5 . 19548 2
68 . 2 2 5 5 C H5' H 1 4.476 0.000 . 2 . . . B 59 C H5' . 19548 2
69 . 2 2 5 5 C H5'' H 1 4.106 0.013 . 2 . . . B 59 C H5'' . 19548 2
70 . 2 2 5 5 C H6 H 1 7.723 0.006 . 1 . . . B 59 C H6 . 19548 2
71 . 2 2 5 5 C H41 H 1 8.219 0.003 . 2 . . . B 59 C H41 . 19548 2
72 . 2 2 5 5 C H42 H 1 6.745 0.006 . 2 . . . B 59 C H42 . 19548 2
73 . 2 2 5 5 C C1' C 13 93.994 0.032 . 1 . . . B 59 C C1' . 19548 2
74 . 2 2 5 5 C C2' C 13 75.712 0.034 . 1 . . . B 59 C C2' . 19548 2
75 . 2 2 5 5 C C3' C 13 73.225 0.018 . 1 . . . B 59 C C3' . 19548 2
76 . 2 2 5 5 C C4' C 13 82.225 0.044 . 1 . . . B 59 C C4' . 19548 2
77 . 2 2 5 5 C C5 C 13 98.368 0.076 . 1 . . . B 59 C C5 . 19548 2
78 . 2 2 5 5 C C5' C 13 65.576 0.101 . 1 . . . B 59 C C5' . 19548 2
79 . 2 2 5 5 C C6 C 13 141.376 0.031 . 1 . . . B 59 C C6 . 19548 2
80 . 2 2 5 5 C N4 N 15 97.061 0.007 . 1 . . . B 59 C N4 . 19548 2
81 . 2 2 6 6 A H1' H 1 5.822 0.007 . 1 . . . B 60 A H1' . 19548 2
82 . 2 2 6 6 A H2 H 1 7.218 0.006 . 1 . . . B 60 A H2 . 19548 2
83 . 2 2 6 6 A H2' H 1 4.499 0.010 . 1 . . . B 60 A H2' . 19548 2
84 . 2 2 6 6 A H3' H 1 4.393 0.006 . 1 . . . B 60 A H3' . 19548 2
85 . 2 2 6 6 A H4' H 1 4.463 0.004 . 1 . . . B 60 A H4' . 19548 2
86 . 2 2 6 6 A H5' H 1 4.447 0.004 . 2 . . . B 60 A H5' . 19548 2
87 . 2 2 6 6 A H5'' H 1 4.108 0.010 . 2 . . . B 60 A H5'' . 19548 2
88 . 2 2 6 6 A H8 H 1 7.945 0.013 . 1 . . . B 60 A H8 . 19548 2
89 . 2 2 6 6 A C1' C 13 93.295 0.054 . 1 . . . B 60 A C1' . 19548 2
90 . 2 2 6 6 A C2 C 13 152.934 0.036 . 1 . . . B 60 A C2 . 19548 2
91 . 2 2 6 6 A C2' C 13 75.496 0.018 . 1 . . . B 60 A C2' . 19548 2
92 . 2 2 6 6 A C3' C 13 73.320 0.076 . 1 . . . B 60 A C3' . 19548 2
93 . 2 2 6 6 A C4' C 13 82.109 0.018 . 1 . . . B 60 A C4' . 19548 2
94 . 2 2 6 6 A C5' C 13 66.159 0.088 . 1 . . . B 60 A C5' . 19548 2
95 . 2 2 6 6 A C8 C 13 139.790 0.044 . 1 . . . B 60 A C8 . 19548 2
96 . 2 2 7 7 U H1' H 1 5.357 0.015 . 1 . . . B 61 U H1' . 19548 2
97 . 2 2 7 7 U H2' H 1 4.495 0.006 . 1 . . . B 61 U H2' . 19548 2
98 . 2 2 7 7 U H3 H 1 13.970 0.002 . 1 . . . B 61 U H3 . 19548 2
99 . 2 2 7 7 U H3' H 1 4.271 0.012 . 1 . . . B 61 U H3' . 19548 2
100 . 2 2 7 7 U H4' H 1 4.345 0.008 . 1 . . . B 61 U H4' . 19548 2
101 . 2 2 7 7 U H5 H 1 4.925 0.013 . 1 . . . B 61 U H5 . 19548 2
102 . 2 2 7 7 U H5' H 1 4.452 0.009 . 2 . . . B 61 U H5' . 19548 2
103 . 2 2 7 7 U H5'' H 1 4.011 0.007 . 2 . . . B 61 U H5'' . 19548 2
104 . 2 2 7 7 U H6 H 1 7.379 0.007 . 1 . . . B 61 U H6 . 19548 2
105 . 2 2 7 7 U C1' C 13 93.385 0.027 . 1 . . . B 61 U C1' . 19548 2
106 . 2 2 7 7 U C2' C 13 75.461 0.022 . 1 . . . B 61 U C2' . 19548 2
107 . 2 2 7 7 U C3' C 13 72.840 0.027 . 1 . . . B 61 U C3' . 19548 2
108 . 2 2 7 7 U C4' C 13 82.046 0.015 . 1 . . . B 61 U C4' . 19548 2
109 . 2 2 7 7 U C5 C 13 102.543 0.123 . 1 . . . B 61 U C5 . 19548 2
110 . 2 2 7 7 U C5' C 13 64.873 0.049 . 1 . . . B 61 U C5' . 19548 2
111 . 2 2 7 7 U C6 C 13 141.345 0.043 . 1 . . . B 61 U C6 . 19548 2
112 . 2 2 7 7 U N3 N 15 162.577 0.000 . 1 . . . B 61 U N3 . 19548 2
113 . 2 2 8 8 C H1' H 1 5.287 0.030 . 1 . . . B 62 C H1' . 19548 2
114 . 2 2 8 8 C H2' H 1 4.838 0.001 . 1 . . . B 62 C H2' . 19548 2
115 . 2 2 8 8 C H3' H 1 4.337 0.000 . 1 . . . B 62 C H3' . 19548 2
116 . 2 2 8 8 C H4' H 1 4.495 0.000 . 1 . . . B 62 C H4' . 19548 2
117 . 2 2 8 8 C H5 H 1 5.353 0.005 . 1 . . . B 62 C H5 . 19548 2
118 . 2 2 8 8 C H6 H 1 7.414 0.006 . 1 . . . B 62 C H6 . 19548 2
119 . 2 2 8 8 C H41 H 1 7.657 0.006 . 2 . . . B 62 C H41 . 19548 2
120 . 2 2 8 8 C H42 H 1 6.985 0.003 . 2 . . . B 62 C H42 . 19548 2
121 . 2 2 8 8 C C1' C 13 95.256 0.054 . 1 . . . B 62 C C1' . 19548 2
122 . 2 2 8 8 C C2' C 13 75.443 0.027 . 1 . . . B 62 C C2' . 19548 2
123 . 2 2 8 8 C C3' C 13 72.452 0.000 . 1 . . . B 62 C C3' . 19548 2
124 . 2 2 8 8 C C4' C 13 82.163 0.000 . 1 . . . B 62 C C4' . 19548 2
125 . 2 2 8 8 C C5 C 13 97.756 0.030 . 1 . . . B 62 C C5 . 19548 2
126 . 2 2 8 8 C C6 C 13 141.207 0.024 . 1 . . . B 62 C C6 . 19548 2
127 . 2 2 8 8 C N4 N 15 96.182 0.015 . 1 . . . B 62 C N4 . 19548 2
128 . 2 2 9 9 A H1' H 1 6.123 0.007 . 1 . . . B 63 A H1' . 19548 2
129 . 2 2 9 9 A H2 H 1 8.063 0.012 . 1 . . . B 63 A H2 . 19548 2
130 . 2 2 9 9 A H2' H 1 4.398 0.004 . 1 . . . B 63 A H2' . 19548 2
131 . 2 2 9 9 A H3' H 1 4.674 0.011 . 1 . . . B 63 A H3' . 19548 2
132 . 2 2 9 9 A H5'' H 1 4.044 0.004 . 2 . . . B 63 A H5'' . 19548 2
133 . 2 2 9 9 A H8 H 1 8.244 0.009 . 1 . . . B 63 A H8 . 19548 2
134 . 2 2 9 9 A C1' C 13 91.186 0.012 . 1 . . . B 63 A C1' . 19548 2
135 . 2 2 9 9 A C2 C 13 155.674 0.101 . 1 . . . B 63 A C2 . 19548 2
136 . 2 2 9 9 A C2' C 13 77.861 0.037 . 1 . . . B 63 A C2' . 19548 2
137 . 2 2 9 9 A C3' C 13 76.995 0.101 . 1 . . . B 63 A C3' . 19548 2
138 . 2 2 9 9 A C5' C 13 66.281 0.008 . 1 . . . B 63 A C5' . 19548 2
139 . 2 2 9 9 A C8 C 13 141.004 0.081 . 1 . . . B 63 A C8 . 19548 2
140 . 2 2 10 10 G H1 H 1 12.206 0.000 . 1 . . . B 64 G H1 . 19548 2
141 . 2 2 10 10 G H1' H 1 5.280 0.006 . 1 . . . B 64 G H1' . 19548 2
142 . 2 2 10 10 G H2' H 1 4.368 0.007 . 1 . . . B 64 G H2' . 19548 2
143 . 2 2 10 10 G H3' H 1 4.681 0.005 . 1 . . . B 64 G H3' . 19548 2
144 . 2 2 10 10 G H4' H 1 4.146 0.011 . 1 . . . B 64 G H4' . 19548 2
145 . 2 2 10 10 G H5' H 1 4.472 0.008 . 2 . . . B 64 G H5' . 19548 2
146 . 2 2 10 10 G H5'' H 1 3.924 0.018 . 2 . . . B 64 G H5'' . 19548 2
147 . 2 2 10 10 G H8 H 1 7.564 0.013 . 1 . . . B 64 G H8 . 19548 2
148 . 2 2 10 10 G C1' C 13 92.798 0.029 . 1 . . . B 64 G C1' . 19548 2
149 . 2 2 10 10 G C2' C 13 77.924 0.038 . 1 . . . B 64 G C2' . 19548 2
150 . 2 2 10 10 G C3' C 13 79.341 0.035 . 1 . . . B 64 G C3' . 19548 2
151 . 2 2 10 10 G C4' C 13 88.173 0.018 . 1 . . . B 64 G C4' . 19548 2
152 . 2 2 10 10 G C5' C 13 67.769 0.026 . 1 . . . B 64 G C5' . 19548 2
153 . 2 2 10 10 G C8 C 13 139.511 0.050 . 1 . . . B 64 G C8 . 19548 2
154 . 2 2 10 10 G N1 N 15 147.418 0.000 . 1 . . . B 64 G N1 . 19548 2
155 . 2 2 11 11 G H1 H 1 11.455 0.011 . 1 . . . B 65 G H1 . 19548 2
156 . 2 2 11 11 G H1' H 1 5.753 0.014 . 1 . . . B 65 G H1' . 19548 2
157 . 2 2 11 11 G H2' H 1 4.503 0.003 . 1 . . . B 65 G H2' . 19548 2
158 . 2 2 11 11 G H3' H 1 4.577 0.001 . 1 . . . B 65 G H3' . 19548 2
159 . 2 2 11 11 G H4' H 1 4.255 0.014 . 1 . . . B 65 G H4' . 19548 2
160 . 2 2 11 11 G H5' H 1 3.600 0.012 . 2 . . . B 65 G H5' . 19548 2
161 . 2 2 11 11 G H8 H 1 8.463 0.006 . 1 . . . B 65 G H8 . 19548 2
162 . 2 2 11 11 G C1' C 13 88.560 0.021 . 1 . . . B 65 G C1' . 19548 2
163 . 2 2 11 11 G C2' C 13 79.177 0.035 . 1 . . . B 65 G C2' . 19548 2
164 . 2 2 11 11 G C3' C 13 79.041 0.046 . 1 . . . B 65 G C3' . 19548 2
165 . 2 2 11 11 G C4' C 13 87.458 0.089 . 1 . . . B 65 G C4' . 19548 2
166 . 2 2 11 11 G C5' C 13 67.672 0.046 . 1 . . . B 65 G C5' . 19548 2
167 . 2 2 11 11 G C8 C 13 141.160 0.035 . 1 . . . B 65 G C8 . 19548 2
168 . 2 2 11 11 G N1 N 15 146.187 0.000 . 1 . . . B 65 G N1 . 19548 2
169 . 2 2 12 12 A H1' H 1 6.448 0.008 . 1 . . . B 66 A H1' . 19548 2
170 . 2 2 12 12 A H2 H 1 8.476 0.014 . 1 . . . B 66 A H2 . 19548 2
171 . 2 2 12 12 A H2' H 1 4.316 0.008 . 1 . . . B 66 A H2' . 19548 2
172 . 2 2 12 12 A H3' H 1 5.074 0.010 . 1 . . . B 66 A H3' . 19548 2
173 . 2 2 12 12 A H4' H 1 4.517 0.004 . 1 . . . B 66 A H4' . 19548 2
174 . 2 2 12 12 A H5' H 1 4.450 0.011 . 2 . . . B 66 A H5' . 19548 2
175 . 2 2 12 12 A H5'' H 1 4.257 0.011 . 2 . . . B 66 A H5'' . 19548 2
176 . 2 2 12 12 A H8 H 1 9.069 0.019 . 1 . . . B 66 A H8 . 19548 2
177 . 2 2 12 12 A C1' C 13 90.482 0.032 . 1 . . . B 66 A C1' . 19548 2
178 . 2 2 12 12 A C2 C 13 156.892 0.047 . 1 . . . B 66 A C2 . 19548 2
179 . 2 2 12 12 A C2' C 13 78.498 0.045 . 1 . . . B 66 A C2' . 19548 2
180 . 2 2 12 12 A C3' C 13 75.132 0.039 . 1 . . . B 66 A C3' . 19548 2
181 . 2 2 12 12 A C4' C 13 81.995 0.038 . 1 . . . B 66 A C4' . 19548 2
182 . 2 2 12 12 A C5' C 13 68.644 0.065 . 1 . . . B 66 A C5' . 19548 2
183 . 2 2 12 12 A C8 C 13 142.071 0.096 . 1 . . . B 66 A C8 . 19548 2
184 . 2 2 13 13 C H1' H 1 5.859 0.007 . 1 . . . B 67 C H1' . 19548 2
185 . 2 2 13 13 C H2' H 1 4.250 0.006 . 1 . . . B 67 C H2' . 19548 2
186 . 2 2 13 13 C H3' H 1 4.487 0.003 . 1 . . . B 67 C H3' . 19548 2
187 . 2 2 13 13 C H4' H 1 4.203 0.006 . 1 . . . B 67 C H4' . 19548 2
188 . 2 2 13 13 C H5 H 1 6.038 0.013 . 1 . . . B 67 C H5 . 19548 2
189 . 2 2 13 13 C H5' H 1 4.219 0.004 . 2 . . . B 67 C H5' . 19548 2
190 . 2 2 13 13 C H5'' H 1 4.038 0.003 . 2 . . . B 67 C H5'' . 19548 2
191 . 2 2 13 13 C H6 H 1 7.695 0.003 . 1 . . . B 67 C H6 . 19548 2
192 . 2 2 13 13 C C1' C 13 92.319 0.039 . 1 . . . B 67 C C1' . 19548 2
193 . 2 2 13 13 C C2' C 13 76.595 0.006 . 1 . . . B 67 C C2' . 19548 2
194 . 2 2 13 13 C C3' C 13 76.643 0.021 . 1 . . . B 67 C C3' . 19548 2
195 . 2 2 13 13 C C4' C 13 84.993 0.037 . 1 . . . B 67 C C4' . 19548 2
196 . 2 2 13 13 C C5 C 13 99.090 0.073 . 1 . . . B 67 C C5 . 19548 2
197 . 2 2 13 13 C C5' C 13 68.580 0.039 . 1 . . . B 67 C C5' . 19548 2
198 . 2 2 13 13 C C6 C 13 144.101 0.018 . 1 . . . B 67 C C6 . 19548 2
199 . 2 2 14 14 G H1 H 1 12.331 0.006 . 1 . . . B 68 G H1 . 19548 2
200 . 2 2 14 14 G H1' H 1 5.100 0.006 . 1 . . . B 68 G H1' . 19548 2
201 . 2 2 14 14 G H2' H 1 4.711 0.007 . 1 . . . B 68 G H2' . 19548 2
202 . 2 2 14 14 G H3' H 1 4.455 0.006 . 1 . . . B 68 G H3' . 19548 2
203 . 2 2 14 14 G H4' H 1 4.236 0.010 . 1 . . . B 68 G H4' . 19548 2
204 . 2 2 14 14 G H5' H 1 4.074 0.007 . 2 . . . B 68 G H5' . 19548 2
205 . 2 2 14 14 G H5'' H 1 4.033 0.010 . 2 . . . B 68 G H5'' . 19548 2
206 . 2 2 14 14 G H8 H 1 7.308 0.009 . 1 . . . B 68 G H8 . 19548 2
207 . 2 2 14 14 G C1' C 13 93.155 0.060 . 1 . . . B 68 G C1' . 19548 2
208 . 2 2 14 14 G C2' C 13 75.462 0.091 . 1 . . . B 68 G C2' . 19548 2
209 . 2 2 14 14 G C3' C 13 74.370 0.042 . 1 . . . B 68 G C3' . 19548 2
210 . 2 2 14 14 G C4' C 13 82.669 0.042 . 1 . . . B 68 G C4' . 19548 2
211 . 2 2 14 14 G C5' C 13 67.211 0.076 . 1 . . . B 68 G C5' . 19548 2
212 . 2 2 14 14 G C8 C 13 136.638 0.054 . 1 . . . B 68 G C8 . 19548 2
213 . 2 2 14 14 G N1 N 15 147.485 0.000 . 1 . . . B 68 G N1 . 19548 2
214 . 2 2 15 15 A H1' H 1 6.024 0.011 . 1 . . . B 69 A H1' . 19548 2
215 . 2 2 15 15 A H2 H 1 7.757 0.014 . 1 . . . B 69 A H2 . 19548 2
216 . 2 2 15 15 A H2' H 1 4.664 0.006 . 1 . . . B 69 A H2' . 19548 2
217 . 2 2 15 15 A H3' H 1 4.576 0.004 . 1 . . . B 69 A H3' . 19548 2
218 . 2 2 15 15 A H4' H 1 4.558 0.006 . 1 . . . B 69 A H4' . 19548 2
219 . 2 2 15 15 A H5' H 1 4.507 0.000 . 2 . . . B 69 A H5' . 19548 2
220 . 2 2 15 15 A H5'' H 1 4.097 0.010 . 2 . . . B 69 A H5'' . 19548 2
221 . 2 2 15 15 A H8 H 1 7.708 0.016 . 1 . . . B 69 A H8 . 19548 2
222 . 2 2 15 15 A C1' C 13 93.592 0.011 . 1 . . . B 69 A C1' . 19548 2
223 . 2 2 15 15 A C2 C 13 153.879 0.076 . 1 . . . B 69 A C2 . 19548 2
224 . 2 2 15 15 A C2' C 13 75.395 0.042 . 1 . . . B 69 A C2' . 19548 2
225 . 2 2 15 15 A C3' C 13 72.900 0.065 . 1 . . . B 69 A C3' . 19548 2
226 . 2 2 15 15 A C4' C 13 82.418 0.072 . 1 . . . B 69 A C4' . 19548 2
227 . 2 2 15 15 A C5' C 13 64.930 0.107 . 1 . . . B 69 A C5' . 19548 2
228 . 2 2 15 15 A C8 C 13 139.855 0.141 . 1 . . . B 69 A C8 . 19548 2
229 . 2 2 16 16 U H1' H 1 5.574 0.008 . 1 . . . B 70 U H1' . 19548 2
230 . 2 2 16 16 U H2' H 1 4.499 0.002 . 1 . . . B 70 U H2' . 19548 2
231 . 2 2 16 16 U H3 H 1 13.451 0.001 . 1 . . . B 70 U H3 . 19548 2
232 . 2 2 16 16 U H3' H 1 4.522 0.005 . 1 . . . B 70 U H3' . 19548 2
233 . 2 2 16 16 U H4' H 1 4.453 0.000 . 1 . . . B 70 U H4' . 19548 2
234 . 2 2 16 16 U H5 H 1 4.914 0.009 . 1 . . . B 70 U H5 . 19548 2
235 . 2 2 16 16 U H5' H 1 4.571 0.002 . 2 . . . B 70 U H5' . 19548 2
236 . 2 2 16 16 U H5'' H 1 4.084 0.006 . 2 . . . B 70 U H5'' . 19548 2
237 . 2 2 16 16 U H6 H 1 7.583 0.009 . 1 . . . B 70 U H6 . 19548 2
238 . 2 2 16 16 U C1' C 13 93.206 0.058 . 1 . . . B 70 U C1' . 19548 2
239 . 2 2 16 16 U C2' C 13 75.578 0.010 . 1 . . . B 70 U C2' . 19548 2
240 . 2 2 16 16 U C3' C 13 72.879 0.068 . 1 . . . B 70 U C3' . 19548 2
241 . 2 2 16 16 U C4' C 13 82.178 0.064 . 1 . . . B 70 U C4' . 19548 2
242 . 2 2 16 16 U C5 C 13 102.764 0.062 . 1 . . . B 70 U C5 . 19548 2
243 . 2 2 16 16 U C5' C 13 64.861 0.032 . 1 . . . B 70 U C5' . 19548 2
244 . 2 2 16 16 U C6 C 13 141.628 0.055 . 1 . . . B 70 U C6 . 19548 2
245 . 2 2 16 16 U N3 N 15 162.686 0.000 . 1 . . . B 70 U N3 . 19548 2
246 . 2 2 17 17 G H1 H 1 11.722 0.002 . 1 . . . B 71 G H1 . 19548 2
247 . 2 2 17 17 G H1' H 1 5.764 0.012 . 1 . . . B 71 G H1' . 19548 2
248 . 2 2 17 17 G H2' H 1 4.527 0.009 . 1 . . . B 71 G H2' . 19548 2
249 . 2 2 17 17 G H3' H 1 4.665 0.006 . 1 . . . B 71 G H3' . 19548 2
250 . 2 2 17 17 G H4' H 1 4.490 0.002 . 1 . . . B 71 G H4' . 19548 2
251 . 2 2 17 17 G H5' H 1 4.457 0.003 . 2 . . . B 71 G H5' . 19548 2
252 . 2 2 17 17 G H5'' H 1 4.129 0.036 . 2 . . . B 71 G H5'' . 19548 2
253 . 2 2 17 17 G H8 H 1 7.736 0.014 . 1 . . . B 71 G H8 . 19548 2
254 . 2 2 17 17 G C1' C 13 92.673 0.070 . 1 . . . B 71 G C1' . 19548 2
255 . 2 2 17 17 G C2' C 13 75.570 0.055 . 1 . . . B 71 G C2' . 19548 2
256 . 2 2 17 17 G C3' C 13 73.493 0.032 . 1 . . . B 71 G C3' . 19548 2
257 . 2 2 17 17 G C4' C 13 82.385 0.008 . 1 . . . B 71 G C4' . 19548 2
258 . 2 2 17 17 G C5' C 13 65.828 0.108 . 1 . . . B 71 G C5' . 19548 2
259 . 2 2 17 17 G C8 C 13 137.186 0.042 . 1 . . . B 71 G C8 . 19548 2
260 . 2 2 17 17 G N1 N 15 146.330 0.000 . 1 . . . B 71 G N1 . 19548 2
261 . 2 2 18 18 A H1' H 1 5.933 0.009 . 1 . . . B 72 A H1' . 19548 2
262 . 2 2 18 18 A H2 H 1 7.721 0.011 . 1 . . . B 72 A H2 . 19548 2
263 . 2 2 18 18 A H2' H 1 4.471 0.007 . 1 . . . B 72 A H2' . 19548 2
264 . 2 2 18 18 A H3' H 1 4.665 0.010 . 1 . . . B 72 A H3' . 19548 2
265 . 2 2 18 18 A H4' H 1 4.458 0.007 . 1 . . . B 72 A H4' . 19548 2
266 . 2 2 18 18 A H5' H 1 4.575 0.004 . 2 . . . B 72 A H5' . 19548 2
267 . 2 2 18 18 A H5'' H 1 4.131 0.010 . 2 . . . B 72 A H5'' . 19548 2
268 . 2 2 18 18 A H8 H 1 8.012 0.019 . 1 . . . B 72 A H8 . 19548 2
269 . 2 2 18 18 A C1' C 13 92.775 0.084 . 1 . . . B 72 A C1' . 19548 2
270 . 2 2 18 18 A C2 C 13 154.315 0.125 . 1 . . . B 72 A C2 . 19548 2
271 . 2 2 18 18 A C2' C 13 75.491 0.021 . 1 . . . B 72 A C2' . 19548 2
272 . 2 2 18 18 A C3' C 13 72.564 0.024 . 1 . . . B 72 A C3' . 19548 2
273 . 2 2 18 18 A C4' C 13 82.048 0.041 . 1 . . . B 72 A C4' . 19548 2
274 . 2 2 18 18 A C5' C 13 64.853 0.046 . 1 . . . B 72 A C5' . 19548 2
275 . 2 2 18 18 A C8 C 13 139.781 0.002 . 1 . . . B 72 A C8 . 19548 2
276 . 2 2 19 19 C H1' H 1 5.405 0.008 . 1 . . . B 73 C H1' . 19548 2
277 . 2 2 19 19 C H2' H 1 4.178 0.008 . 1 . . . B 73 C H2' . 19548 2
278 . 2 2 19 19 C H3' H 1 4.367 0.005 . 1 . . . B 73 C H3' . 19548 2
279 . 2 2 19 19 C H4' H 1 4.362 0.004 . 1 . . . B 73 C H4' . 19548 2
280 . 2 2 19 19 C H5 H 1 5.154 0.009 . 1 . . . B 73 C H5 . 19548 2
281 . 2 2 19 19 C H5' H 1 4.474 0.006 . 2 . . . B 73 C H5' . 19548 2
282 . 2 2 19 19 C H5'' H 1 4.021 0.001 . 2 . . . B 73 C H5'' . 19548 2
283 . 2 2 19 19 C H6 H 1 7.578 0.016 . 1 . . . B 73 C H6 . 19548 2
284 . 2 2 19 19 C H41 H 1 8.346 0.010 . 2 . . . B 73 C H41 . 19548 2
285 . 2 2 19 19 C H42 H 1 6.778 0.008 . 2 . . . B 73 C H42 . 19548 2
286 . 2 2 19 19 C C1' C 13 93.750 0.036 . 1 . . . B 73 C C1' . 19548 2
287 . 2 2 19 19 C C2' C 13 75.602 0.000 . 1 . . . B 73 C C2' . 19548 2
288 . 2 2 19 19 C C3' C 13 72.338 0.020 . 1 . . . B 73 C C3' . 19548 2
289 . 2 2 19 19 C C4' C 13 81.955 0.022 . 1 . . . B 73 C C4' . 19548 2
290 . 2 2 19 19 C C5 C 13 97.120 0.050 . 1 . . . B 73 C C5 . 19548 2
291 . 2 2 19 19 C C5' C 13 64.662 0.089 . 1 . . . B 73 C C5' . 19548 2
292 . 2 2 19 19 C C6 C 13 141.029 0.042 . 1 . . . B 73 C C6 . 19548 2
293 . 2 2 19 19 C N4 N 15 98.516 0.001 . 1 . . . B 73 C N4 . 19548 2
294 . 2 2 20 20 C H1' H 1 5.469 0.015 . 1 . . . B 74 C H1' . 19548 2
295 . 2 2 20 20 C H2' H 1 4.210 0.007 . 1 . . . B 74 C H2' . 19548 2
296 . 2 2 20 20 C H3' H 1 4.438 0.004 . 1 . . . B 74 C H3' . 19548 2
297 . 2 2 20 20 C H4' H 1 4.341 0.010 . 1 . . . B 74 C H4' . 19548 2
298 . 2 2 20 20 C H5 H 1 5.390 0.010 . 1 . . . B 74 C H5 . 19548 2
299 . 2 2 20 20 C H5' H 1 4.490 0.004 . 2 . . . B 74 C H5' . 19548 2
300 . 2 2 20 20 C H5'' H 1 4.020 0.003 . 2 . . . B 74 C H5'' . 19548 2
301 . 2 2 20 20 C H6 H 1 7.728 0.010 . 1 . . . B 74 C H6 . 19548 2
302 . 2 2 20 20 C H41 H 1 8.424 0.009 . 2 . . . B 74 C H41 . 19548 2
303 . 2 2 20 20 C H42 H 1 6.702 0.001 . 2 . . . B 74 C H42 . 19548 2
304 . 2 2 20 20 C C1' C 13 94.259 0.000 . 1 . . . B 74 C C1' . 19548 2
305 . 2 2 20 20 C C2' C 13 75.772 0.050 . 1 . . . B 74 C C2' . 19548 2
306 . 2 2 20 20 C C3' C 13 72.258 0.038 . 1 . . . B 74 C C3' . 19548 2
307 . 2 2 20 20 C C4' C 13 82.086 0.093 . 1 . . . B 74 C C4' . 19548 2
308 . 2 2 20 20 C C5 C 13 97.695 0.000 . 1 . . . B 74 C C5 . 19548 2
309 . 2 2 20 20 C C5' C 13 64.626 0.070 . 1 . . . B 74 C C5' . 19548 2
310 . 2 2 20 20 C C6 C 13 141.663 0.047 . 1 . . . B 74 C C6 . 19548 2
311 . 2 2 20 20 C N4 N 15 98.089 0.043 . 1 . . . B 74 C N4 . 19548 2
312 . 2 2 21 21 C H1' H 1 5.743 0.003 . 1 . . . B 75 C H1' . 19548 2
313 . 2 2 21 21 C H2' H 1 3.974 0.005 . 1 . . . B 75 C H2' . 19548 2
314 . 2 2 21 21 C H3' H 1 4.153 0.005 . 1 . . . B 75 C H3' . 19548 2
315 . 2 2 21 21 C H4' H 1 4.140 0.005 . 1 . . . B 75 C H4' . 19548 2
316 . 2 2 21 21 C H5 H 1 5.456 0.006 . 1 . . . B 75 C H5 . 19548 2
317 . 2 2 21 21 C H5' H 1 4.445 0.002 . 2 . . . B 75 C H5' . 19548 2
318 . 2 2 21 21 C H5'' H 1 4.004 0.005 . 2 . . . B 75 C H5'' . 19548 2
319 . 2 2 21 21 C H6 H 1 7.658 0.006 . 1 . . . B 75 C H6 . 19548 2
320 . 2 2 21 21 C C1' C 13 92.901 0.014 . 1 . . . B 75 C C1' . 19548 2
321 . 2 2 21 21 C C2' C 13 77.702 0.000 . 1 . . . B 75 C C2' . 19548 2
322 . 2 2 21 21 C C3' C 13 70.026 0.000 . 1 . . . B 75 C C3' . 19548 2
323 . 2 2 21 21 C C4' C 13 83.810 0.000 . 1 . . . B 75 C C4' . 19548 2
324 . 2 2 21 21 C C5 C 13 98.065 0.000 . 1 . . . B 75 C C5 . 19548 2
325 . 2 2 21 21 C C5' C 13 65.316 0.097 . 1 . . . B 75 C C5' . 19548 2
326 . 2 2 21 21 C C6 C 13 142.082 0.081 . 1 . . . B 75 C C6 . 19548 2
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