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 19547
_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' . . . 19547 2
4 '2D 1H-1H NOESY' . . . 19547 2
11 '2D 1H-1H TOCSY' . . . 19547 2
12 '2D 1H-15N HSQC' . . . 19547 2
13 '2D 1H-15N HSQC' . . . 19547 2
14 '2D 1H-13C HSQC' . . . 19547 2
15 '2D 1H-13C HSQC' . . . 19547 2
16 '3D 1H-13C NOESY' . . . 19547 2
17 '3D 1H-13C NOESY' . . . 19547 2
20 '3D HCCH-TOCSY' . . . 19547 2
21 '3D HCCH-TOCSY' . . . 19547 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 12.478 0.000 . 1 . . . B 40 G H1 . 19547 2
2 . 2 2 1 1 G H1' H 1 5.799 0.005 . 1 . . . B 40 G H1' . 19547 2
3 . 2 2 1 1 G H2' H 1 4.866 0.014 . 1 . . . B 40 G H2' . 19547 2
4 . 2 2 1 1 G H3' H 1 4.663 0.008 . 1 . . . B 40 G H3' . 19547 2
5 . 2 2 1 1 G H4' H 1 4.534 0.002 . 1 . . . B 40 G H4' . 19547 2
6 . 2 2 1 1 G H5' H 1 4.436 0.051 . 2 . . . B 40 G H5' . 19547 2
7 . 2 2 1 1 G H5'' H 1 4.187 0.071 . 2 . . . B 40 G H5'' . 19547 2
8 . 2 2 1 1 G H8 H 1 8.110 0.016 . 1 . . . B 40 G H8 . 19547 2
9 . 2 2 1 1 G C1' C 13 91.822 0.049 . 1 . . . B 40 G C1' . 19547 2
10 . 2 2 1 1 G C2' C 13 75.244 0.030 . 1 . . . B 40 G C2' . 19547 2
11 . 2 2 1 1 G C3' C 13 74.520 0.028 . 1 . . . B 40 G C3' . 19547 2
12 . 2 2 1 1 G C4' C 13 83.313 0.071 . 1 . . . B 40 G C4' . 19547 2
13 . 2 2 1 1 G C5' C 13 66.880 0.102 . 1 . . . B 40 G C5' . 19547 2
14 . 2 2 1 1 G C8 C 13 139.093 0.000 . 1 . . . B 40 G C8 . 19547 2
15 . 2 2 1 1 G N1 N 15 147.640 0.000 . 1 . . . B 40 G N1 . 19547 2
16 . 2 2 2 2 G H1 H 1 12.615 0.010 . 1 . . . B 41 G H1 . 19547 2
17 . 2 2 2 2 G H1' H 1 5.899 0.024 . 1 . . . B 41 G H1' . 19547 2
18 . 2 2 2 2 G H2' H 1 4.686 0.007 . 1 . . . B 41 G H2' . 19547 2
19 . 2 2 2 2 G H3' H 1 4.561 0.013 . 1 . . . B 41 G H3' . 19547 2
20 . 2 2 2 2 G H4' H 1 4.512 0.015 . 1 . . . B 41 G H4' . 19547 2
21 . 2 2 2 2 G H5' H 1 4.490 0.004 . 2 . . . B 41 G H5' . 19547 2
22 . 2 2 2 2 G H5'' H 1 4.210 0.014 . 2 . . . B 41 G H5'' . 19547 2
23 . 2 2 2 2 G H8 H 1 7.517 0.015 . 1 . . . B 41 G H8 . 19547 2
24 . 2 2 2 2 G C1' C 13 92.767 0.015 . 1 . . . B 41 G C1' . 19547 2
25 . 2 2 2 2 G C2' C 13 75.615 0.061 . 1 . . . B 41 G C2' . 19547 2
26 . 2 2 2 2 G C3' C 13 73.048 0.047 . 1 . . . B 41 G C3' . 19547 2
27 . 2 2 2 2 G C4' C 13 82.261 0.021 . 1 . . . B 41 G C4' . 19547 2
28 . 2 2 2 2 G C5' C 13 65.961 0.055 . 1 . . . B 41 G C5' . 19547 2
29 . 2 2 2 2 G C8 C 13 136.620 0.000 . 1 . . . B 41 G C8 . 19547 2
30 . 2 2 2 2 G N1 N 15 147.562 0.000 . 1 . . . B 41 G N1 . 19547 2
31 . 2 2 3 3 G H1 H 1 12.251 0.004 . 1 . . . B 42 G H1 . 19547 2
32 . 2 2 3 3 G H1' H 1 5.759 0.005 . 1 . . . B 42 G H1' . 19547 2
33 . 2 2 3 3 G H2' H 1 4.646 0.010 . 1 . . . B 42 G H2' . 19547 2
34 . 2 2 3 3 G H3' H 1 4.474 0.015 . 1 . . . B 42 G H3' . 19547 2
35 . 2 2 3 3 G H4' H 1 4.506 0.011 . 1 . . . B 42 G H4' . 19547 2
36 . 2 2 3 3 G H5' H 1 4.461 0.006 . 2 . . . B 42 G H5' . 19547 2
37 . 2 2 3 3 G H5'' H 1 4.088 0.004 . 2 . . . B 42 G H5'' . 19547 2
38 . 2 2 3 3 G H8 H 1 7.135 0.004 . 1 . . . B 42 G H8 . 19547 2
39 . 2 2 3 3 G C1' C 13 93.041 0.070 . 1 . . . B 42 G C1' . 19547 2
40 . 2 2 3 3 G C2' C 13 75.461 0.032 . 1 . . . B 42 G C2' . 19547 2
41 . 2 2 3 3 G C3' C 13 73.145 0.039 . 1 . . . B 42 G C3' . 19547 2
42 . 2 2 3 3 G C4' C 13 82.196 0.028 . 1 . . . B 42 G C4' . 19547 2
43 . 2 2 3 3 G C5' C 13 65.875 0.053 . 1 . . . B 42 G C5' . 19547 2
44 . 2 2 3 3 G C8 C 13 136.008 0.043 . 1 . . . B 42 G C8 . 19547 2
45 . 2 2 3 3 G N1 N 15 147.279 0.000 . 1 . . . B 42 G N1 . 19547 2
46 . 2 2 4 4 A H1' H 1 5.974 0.009 . 1 . . . B 43 A H1' . 19547 2
47 . 2 2 4 4 A H2 H 1 7.794 0.011 . 1 . . . B 43 A H2 . 19547 2
48 . 2 2 4 4 A H2' H 1 4.530 0.012 . 1 . . . B 43 A H2' . 19547 2
49 . 2 2 4 4 A H3' H 1 4.545 0.006 . 1 . . . B 43 A H3' . 19547 2
50 . 2 2 4 4 A H4' H 1 4.489 0.005 . 1 . . . B 43 A H4' . 19547 2
51 . 2 2 4 4 A H5' H 1 4.529 0.000 . 2 . . . B 43 A H5' . 19547 2
52 . 2 2 4 4 A H5'' H 1 4.121 0.005 . 2 . . . B 43 A H5'' . 19547 2
53 . 2 2 4 4 A H8 H 1 7.657 0.012 . 1 . . . B 43 A H8 . 19547 2
54 . 2 2 4 4 A C1' C 13 93.195 0.080 . 1 . . . B 43 A C1' . 19547 2
55 . 2 2 4 4 A C2 C 13 153.921 0.023 . 1 . . . B 43 A C2 . 19547 2
56 . 2 2 4 4 A C2' C 13 75.726 0.027 . 1 . . . B 43 A C2' . 19547 2
57 . 2 2 4 4 A C3' C 13 72.669 0.030 . 1 . . . B 43 A C3' . 19547 2
58 . 2 2 4 4 A C4' C 13 82.118 0.053 . 1 . . . B 43 A C4' . 19547 2
59 . 2 2 4 4 A C5' C 13 64.907 0.072 . 1 . . . B 43 A C5' . 19547 2
60 . 2 2 4 4 A C8 C 13 139.309 0.102 . 1 . . . B 43 A C8 . 19547 2
61 . 2 2 5 5 U H1' H 1 5.434 0.009 . 1 . . . B 44 U H1' . 19547 2
62 . 2 2 5 5 U H2' H 1 4.480 0.005 . 1 . . . B 44 U H2' . 19547 2
63 . 2 2 5 5 U H3 H 1 13.923 0.004 . 1 . . . B 44 U H3 . 19547 2
64 . 2 2 5 5 U H3' H 1 4.403 0.004 . 1 . . . B 44 U H3' . 19547 2
65 . 2 2 5 5 U H4' H 1 4.346 0.008 . 1 . . . B 44 U H4' . 19547 2
66 . 2 2 5 5 U H5 H 1 5.032 0.007 . 1 . . . B 44 U H5 . 19547 2
67 . 2 2 5 5 U H5' H 1 4.503 0.000 . 2 . . . B 44 U H5' . 19547 2
68 . 2 2 5 5 U H5'' H 1 4.072 0.016 . 2 . . . B 44 U H5'' . 19547 2
69 . 2 2 5 5 U H6 H 1 7.276 0.011 . 1 . . . B 44 U H6 . 19547 2
70 . 2 2 5 5 U C1' C 13 93.035 0.086 . 1 . . . B 44 U C1' . 19547 2
71 . 2 2 5 5 U C2' C 13 75.859 0.079 . 1 . . . B 44 U C2' . 19547 2
72 . 2 2 5 5 U C3' C 13 72.540 0.064 . 1 . . . B 44 U C3' . 19547 2
73 . 2 2 5 5 U C4' C 13 82.133 0.050 . 1 . . . B 44 U C4' . 19547 2
74 . 2 2 5 5 U C5 C 13 102.873 0.051 . 1 . . . B 44 U C5 . 19547 2
75 . 2 2 5 5 U C5' C 13 64.692 0.012 . 1 . . . B 44 U C5' . 19547 2
76 . 2 2 5 5 U C6 C 13 141.048 0.123 . 1 . . . B 44 U C6 . 19547 2
77 . 2 2 5 5 U N3 N 15 162.449 0.000 . 1 . . . B 44 U N3 . 19547 2
78 . 2 2 6 6 C H1' H 1 5.429 0.019 . 1 . . . B 45 C H1' . 19547 2
79 . 2 2 6 6 C H2' H 1 4.590 0.007 . 1 . . . B 45 C H2' . 19547 2
80 . 2 2 6 6 C H3' H 1 4.179 0.016 . 1 . . . B 45 C H3' . 19547 2
81 . 2 2 6 6 C H4' H 1 4.513 0.004 . 1 . . . B 45 C H4' . 19547 2
82 . 2 2 6 6 C H5 H 1 5.499 0.042 . 1 . . . B 45 C H5 . 19547 2
83 . 2 2 6 6 C H5'' H 1 4.128 0.012 . 2 . . . B 45 C H5'' . 19547 2
84 . 2 2 6 6 C H6 H 1 7.636 0.047 . 1 . . . B 45 C H6 . 19547 2
85 . 2 2 6 6 C H41 H 1 8.343 0.000 . 2 . . . B 45 C H41 . 19547 2
86 . 2 2 6 6 C H42 H 1 6.600 0.000 . 2 . . . B 45 C H42 . 19547 2
87 . 2 2 6 6 C C1' C 13 94.322 0.062 . 1 . . . B 45 C C1' . 19547 2
88 . 2 2 6 6 C C2' C 13 75.296 0.055 . 1 . . . B 45 C C2' . 19547 2
89 . 2 2 6 6 C C3' C 13 73.831 0.039 . 1 . . . B 45 C C3' . 19547 2
90 . 2 2 6 6 C C4' C 13 82.102 0.034 . 1 . . . B 45 C C4' . 19547 2
91 . 2 2 6 6 C C5 C 13 98.342 0.239 . 1 . . . B 45 C C5 . 19547 2
92 . 2 2 6 6 C C5' C 13 67.102 0.089 . 1 . . . B 45 C C5' . 19547 2
93 . 2 2 6 6 C C6 C 13 141.148 0.000 . 1 . . . B 45 C C6 . 19547 2
94 . 2 2 7 7 G H1 H 1 12.829 0.005 . 1 . . . B 46 G H1 . 19547 2
95 . 2 2 7 7 G H1' H 1 5.575 0.006 . 1 . . . B 46 G H1' . 19547 2
96 . 2 2 7 7 G H2' H 1 4.691 0.002 . 1 . . . B 46 G H2' . 19547 2
97 . 2 2 7 7 G H3' H 1 4.440 0.010 . 1 . . . B 46 G H3' . 19547 2
98 . 2 2 7 7 G H5' H 1 4.518 0.000 . 2 . . . B 46 G H5' . 19547 2
99 . 2 2 7 7 G H5'' H 1 4.045 0.001 . 2 . . . B 46 G H5'' . 19547 2
100 . 2 2 7 7 G H8 H 1 7.464 0.022 . 1 . . . B 46 G H8 . 19547 2
101 . 2 2 7 7 G C1' C 13 93.770 0.191 . 1 . . . B 46 G C1' . 19547 2
102 . 2 2 7 7 G C2' C 13 75.428 0.000 . 1 . . . B 46 G C2' . 19547 2
103 . 2 2 7 7 G C3' C 13 72.842 0.070 . 1 . . . B 46 G C3' . 19547 2
104 . 2 2 7 7 G C5' C 13 65.790 0.014 . 1 . . . B 46 G C5' . 19547 2
105 . 2 2 7 7 G C8 C 13 136.609 0.000 . 1 . . . B 46 G C8 . 19547 2
106 . 2 2 7 7 G N1 N 15 147.265 0.000 . 1 . . . B 46 G N1 . 19547 2
107 . 2 2 8 8 C H1' H 1 5.396 0.028 . 1 . . . B 47 C H1' . 19547 2
108 . 2 2 8 8 C H2' H 1 4.578 0.004 . 1 . . . B 47 C H2' . 19547 2
109 . 2 2 8 8 C H3' H 1 4.362 0.005 . 1 . . . B 47 C H3' . 19547 2
110 . 2 2 8 8 C H4' H 1 4.368 0.004 . 1 . . . B 47 C H4' . 19547 2
111 . 2 2 8 8 C H5 H 1 5.488 0.006 . 1 . . . B 47 C H5 . 19547 2
112 . 2 2 8 8 C H6 H 1 7.652 0.011 . 1 . . . B 47 C H6 . 19547 2
113 . 2 2 8 8 C H41 H 1 8.327 0.000 . 2 . . . B 47 C H41 . 19547 2
114 . 2 2 8 8 C H42 H 1 6.758 0.019 . 2 . . . B 47 C H42 . 19547 2
115 . 2 2 8 8 C C1' C 13 94.328 0.039 . 1 . . . B 47 C C1' . 19547 2
116 . 2 2 8 8 C C2' C 13 75.114 0.029 . 1 . . . B 47 C C2' . 19547 2
117 . 2 2 8 8 C C3' C 13 72.414 0.176 . 1 . . . B 47 C C3' . 19547 2
118 . 2 2 8 8 C C4' C 13 82.204 0.159 . 1 . . . B 47 C C4' . 19547 2
119 . 2 2 8 8 C C5 C 13 98.478 0.030 . 1 . . . B 47 C C5 . 19547 2
120 . 2 2 8 8 C C6 C 13 142.043 0.000 . 1 . . . B 47 C C6 . 19547 2
121 . 2 2 9 9 A H1' H 1 6.288 0.012 . 1 . . . B 48 A H1' . 19547 2
122 . 2 2 9 9 A H2 H 1 8.390 0.009 . 1 . . . B 48 A H2 . 19547 2
123 . 2 2 9 9 A H2' H 1 4.568 0.012 . 1 . . . B 48 A H2' . 19547 2
124 . 2 2 9 9 A H3' H 1 4.299 0.000 . 1 . . . B 48 A H3' . 19547 2
125 . 2 2 9 9 A H4' H 1 4.266 0.018 . 1 . . . B 48 A H4' . 19547 2
126 . 2 2 9 9 A H8 H 1 8.531 0.021 . 1 . . . B 48 A H8 . 19547 2
127 . 2 2 9 9 A C1' C 13 90.505 0.189 . 1 . . . B 48 A C1' . 19547 2
128 . 2 2 9 9 A C2 C 13 156.217 0.047 . 1 . . . B 48 A C2 . 19547 2
129 . 2 2 9 9 A C2' C 13 77.778 0.017 . 1 . . . B 48 A C2' . 19547 2
130 . 2 2 9 9 A C4' C 13 84.749 0.036 . 1 . . . B 48 A C4' . 19547 2
131 . 2 2 9 9 A C8 C 13 141.502 0.000 . 1 . . . B 48 A C8 . 19547 2
132 . 2 2 10 10 G H1 H 1 12.473 0.000 . 1 . . . B 49 G H1 . 19547 2
133 . 2 2 10 10 G H1' H 1 5.242 0.009 . 1 . . . B 49 G H1' . 19547 2
134 . 2 2 10 10 G H2' H 1 4.380 0.008 . 1 . . . B 49 G H2' . 19547 2
135 . 2 2 10 10 G H3' H 1 4.708 0.011 . 1 . . . B 49 G H3' . 19547 2
136 . 2 2 10 10 G H4' H 1 3.904 0.000 . 1 . . . B 49 G H4' . 19547 2
137 . 2 2 10 10 G H5'' H 1 4.003 0.010 . 2 . . . B 49 G H5'' . 19547 2
138 . 2 2 10 10 G H8 H 1 7.766 0.008 . 1 . . . B 49 G H8 . 19547 2
139 . 2 2 10 10 G C1' C 13 92.334 0.040 . 1 . . . B 49 G C1' . 19547 2
140 . 2 2 10 10 G C2' C 13 77.308 0.058 . 1 . . . B 49 G C2' . 19547 2
141 . 2 2 10 10 G C3' C 13 78.307 0.037 . 1 . . . B 49 G C3' . 19547 2
142 . 2 2 10 10 G C8 C 13 139.913 0.041 . 1 . . . B 49 G C8 . 19547 2
143 . 2 2 10 10 G N1 N 15 146.656 0.000 . 1 . . . B 49 G N1 . 19547 2
144 . 2 2 11 11 G H1 H 1 11.463 0.011 . 1 . . . B 50 G H1 . 19547 2
145 . 2 2 11 11 G H1' H 1 5.766 0.014 . 1 . . . B 50 G H1' . 19547 2
146 . 2 2 11 11 G H2' H 1 4.515 0.016 . 1 . . . B 50 G H2' . 19547 2
147 . 2 2 11 11 G H3' H 1 4.588 0.014 . 1 . . . B 50 G H3' . 19547 2
148 . 2 2 11 11 G H4' H 1 4.282 0.018 . 1 . . . B 50 G H4' . 19547 2
149 . 2 2 11 11 G H5' H 1 3.721 0.017 . 2 . . . B 50 G H5' . 19547 2
150 . 2 2 11 11 G H5'' H 1 2.814 0.029 . 2 . . . B 50 G H5'' . 19547 2
151 . 2 2 11 11 G H8 H 1 8.478 0.009 . 1 . . . B 50 G H8 . 19547 2
152 . 2 2 11 11 G C1' C 13 88.614 0.034 . 1 . . . B 50 G C1' . 19547 2
153 . 2 2 11 11 G C2' C 13 79.036 0.123 . 1 . . . B 50 G C2' . 19547 2
154 . 2 2 11 11 G C3' C 13 78.907 0.090 . 1 . . . B 50 G C3' . 19547 2
155 . 2 2 11 11 G C4' C 13 87.362 0.066 . 1 . . . B 50 G C4' . 19547 2
156 . 2 2 11 11 G C5' C 13 67.686 0.103 . 1 . . . B 50 G C5' . 19547 2
157 . 2 2 11 11 G C8 C 13 140.963 0.030 . 1 . . . B 50 G C8 . 19547 2
158 . 2 2 11 11 G N1 N 15 146.207 0.000 . 1 . . . B 50 G N1 . 19547 2
159 . 2 2 12 12 A H1' H 1 6.472 0.008 . 1 . . . B 51 A H1' . 19547 2
160 . 2 2 12 12 A H2 H 1 8.485 0.011 . 1 . . . B 51 A H2 . 19547 2
161 . 2 2 12 12 A H2' H 1 4.349 0.019 . 1 . . . B 51 A H2' . 19547 2
162 . 2 2 12 12 A H3' H 1 5.061 0.010 . 1 . . . B 51 A H3' . 19547 2
163 . 2 2 12 12 A H4' H 1 4.553 0.009 . 1 . . . B 51 A H4' . 19547 2
164 . 2 2 12 12 A H5' H 1 4.530 0.012 . 2 . . . B 51 A H5' . 19547 2
165 . 2 2 12 12 A H5'' H 1 4.264 0.019 . 2 . . . B 51 A H5'' . 19547 2
166 . 2 2 12 12 A H8 H 1 9.040 0.015 . 1 . . . B 51 A H8 . 19547 2
167 . 2 2 12 12 A C1' C 13 90.250 0.057 . 1 . . . B 51 A C1' . 19547 2
168 . 2 2 12 12 A C2 C 13 156.721 0.037 . 1 . . . B 51 A C2 . 19547 2
169 . 2 2 12 12 A C2' C 13 78.656 0.067 . 1 . . . B 51 A C2' . 19547 2
170 . 2 2 12 12 A C3' C 13 75.603 0.024 . 1 . . . B 51 A C3' . 19547 2
171 . 2 2 12 12 A C4' C 13 81.921 0.054 . 1 . . . B 51 A C4' . 19547 2
172 . 2 2 12 12 A C5' C 13 68.891 0.025 . 1 . . . B 51 A C5' . 19547 2
173 . 2 2 12 12 A C8 C 13 141.970 0.015 . 1 . . . B 51 A C8 . 19547 2
174 . 2 2 13 13 A H1' H 1 6.036 0.006 . 1 . . . B 52 A H1' . 19547 2
175 . 2 2 13 13 A H2 H 1 8.264 0.008 . 1 . . . B 52 A H2 . 19547 2
176 . 2 2 13 13 A H2' H 1 4.632 0.007 . 1 . . . B 52 A H2' . 19547 2
177 . 2 2 13 13 A H3' H 1 4.780 0.005 . 1 . . . B 52 A H3' . 19547 2
178 . 2 2 13 13 A H4' H 1 4.327 0.005 . 1 . . . B 52 A H4' . 19547 2
179 . 2 2 13 13 A H5' H 1 4.231 0.007 . 2 . . . B 52 A H5' . 19547 2
180 . 2 2 13 13 A H5'' H 1 4.106 0.006 . 2 . . . B 52 A H5'' . 19547 2
181 . 2 2 13 13 A H8 H 1 8.308 0.005 . 1 . . . B 52 A H8 . 19547 2
182 . 2 2 13 13 A C1' C 13 90.339 0.025 . 1 . . . B 52 A C1' . 19547 2
183 . 2 2 13 13 A C2 C 13 155.750 0.023 . 1 . . . B 52 A C2 . 19547 2
184 . 2 2 13 13 A C2' C 13 77.608 0.040 . 1 . . . B 52 A C2' . 19547 2
185 . 2 2 13 13 A C3' C 13 77.840 0.065 . 1 . . . B 52 A C3' . 19547 2
186 . 2 2 13 13 A C4' C 13 85.531 0.030 . 1 . . . B 52 A C4' . 19547 2
187 . 2 2 13 13 A C5' C 13 68.348 0.075 . 1 . . . B 52 A C5' . 19547 2
188 . 2 2 13 13 A C8 C 13 142.305 0.042 . 1 . . . B 52 A C8 . 19547 2
189 . 2 2 14 14 G H1 H 1 13.144 0.004 . 1 . . . B 53 G H1 . 19547 2
190 . 2 2 14 14 G H1' H 1 4.895 0.021 . 1 . . . B 53 G H1' . 19547 2
191 . 2 2 14 14 G H2' H 1 4.529 0.004 . 1 . . . B 53 G H2' . 19547 2
192 . 2 2 14 14 G H3' H 1 4.661 0.000 . 1 . . . B 53 G H3' . 19547 2
193 . 2 2 14 14 G H4' H 1 4.449 0.000 . 1 . . . B 53 G H4' . 19547 2
194 . 2 2 14 14 G H5' H 1 4.454 0.000 . 2 . . . B 53 G H5' . 19547 2
195 . 2 2 14 14 G H5'' H 1 4.249 0.000 . 2 . . . B 53 G H5'' . 19547 2
196 . 2 2 14 14 G H8 H 1 7.505 0.013 . 1 . . . B 53 G H8 . 19547 2
197 . 2 2 14 14 G C1' C 13 93.012 0.026 . 1 . . . B 53 G C1' . 19547 2
198 . 2 2 14 14 G C2' C 13 75.278 0.083 . 1 . . . B 53 G C2' . 19547 2
199 . 2 2 14 14 G C3' C 13 75.558 0.000 . 1 . . . B 53 G C3' . 19547 2
200 . 2 2 14 14 G C4' C 13 82.150 0.000 . 1 . . . B 53 G C4' . 19547 2
201 . 2 2 14 14 G C5' C 13 67.242 0.000 . 1 . . . B 53 G C5' . 19547 2
202 . 2 2 14 14 G C8 C 13 136.579 0.069 . 1 . . . B 53 G C8 . 19547 2
203 . 2 2 14 14 G N1 N 15 148.322 0.000 . 1 . . . B 53 G N1 . 19547 2
204 . 2 2 15 15 C H1' H 1 5.674 0.006 . 1 . . . B 54 C H1' . 19547 2
205 . 2 2 15 15 C H2' H 1 4.681 0.003 . 1 . . . B 54 C H2' . 19547 2
206 . 2 2 15 15 C H3' H 1 4.564 0.013 . 1 . . . B 54 C H3' . 19547 2
207 . 2 2 15 15 C H4' H 1 4.456 0.002 . 1 . . . B 54 C H4' . 19547 2
208 . 2 2 15 15 C H5 H 1 5.300 0.011 . 1 . . . B 54 C H5 . 19547 2
209 . 2 2 15 15 C H6 H 1 7.739 0.004 . 1 . . . B 54 C H6 . 19547 2
210 . 2 2 15 15 C C1' C 13 93.620 0.095 . 1 . . . B 54 C C1' . 19547 2
211 . 2 2 15 15 C C2' C 13 75.558 0.126 . 1 . . . B 54 C C2' . 19547 2
212 . 2 2 15 15 C C3' C 13 72.474 0.065 . 1 . . . B 54 C C3' . 19547 2
213 . 2 2 15 15 C C4' C 13 82.029 0.052 . 1 . . . B 54 C C4' . 19547 2
214 . 2 2 15 15 C C5 C 13 96.991 0.075 . 1 . . . B 54 C C5 . 19547 2
215 . 2 2 15 15 C C6 C 13 141.933 0.000 . 1 . . . B 54 C C6 . 19547 2
216 . 2 2 16 16 G H1 H 1 12.140 0.006 . 1 . . . B 55 G H1 . 19547 2
217 . 2 2 16 16 G H1' H 1 5.753 0.013 . 1 . . . B 55 G H1' . 19547 2
218 . 2 2 16 16 G H2' H 1 4.691 0.001 . 1 . . . B 55 G H2' . 19547 2
219 . 2 2 16 16 G H3' H 1 4.542 0.003 . 1 . . . B 55 G H3' . 19547 2
220 . 2 2 16 16 G H4' H 1 4.524 0.002 . 1 . . . B 55 G H4' . 19547 2
221 . 2 2 16 16 G H5' H 1 4.427 0.007 . 2 . . . B 55 G H5' . 19547 2
222 . 2 2 16 16 G H5'' H 1 4.139 0.006 . 2 . . . B 55 G H5'' . 19547 2
223 . 2 2 16 16 G H8 H 1 7.510 0.014 . 1 . . . B 55 G H8 . 19547 2
224 . 2 2 16 16 G C1' C 13 93.096 0.086 . 1 . . . B 55 G C1' . 19547 2
225 . 2 2 16 16 G C2' C 13 75.514 0.091 . 1 . . . B 55 G C2' . 19547 2
226 . 2 2 16 16 G C3' C 13 73.824 0.028 . 1 . . . B 55 G C3' . 19547 2
227 . 2 2 16 16 G C4' C 13 82.451 0.008 . 1 . . . B 55 G C4' . 19547 2
228 . 2 2 16 16 G C5' C 13 67.064 0.099 . 1 . . . B 55 G C5' . 19547 2
229 . 2 2 16 16 G C8 C 13 136.606 0.048 . 1 . . . B 55 G C8 . 19547 2
230 . 2 2 16 16 G N1 N 15 146.848 0.000 . 1 . . . B 55 G N1 . 19547 2
231 . 2 2 17 17 A H1' H 1 6.009 0.004 . 1 . . . B 56 A H1' . 19547 2
232 . 2 2 17 17 A H2 H 1 7.799 0.005 . 1 . . . B 56 A H2 . 19547 2
233 . 2 2 17 17 A H2' H 1 4.473 0.011 . 1 . . . B 56 A H2' . 19547 2
234 . 2 2 17 17 A H3' H 1 4.678 0.006 . 1 . . . B 56 A H3' . 19547 2
235 . 2 2 17 17 A H4' H 1 4.507 0.005 . 1 . . . B 56 A H4' . 19547 2
236 . 2 2 17 17 A H5' H 1 4.527 0.000 . 2 . . . B 56 A H5' . 19547 2
237 . 2 2 17 17 A H5'' H 1 4.125 0.010 . 2 . . . B 56 A H5'' . 19547 2
238 . 2 2 17 17 A H8 H 1 7.935 0.008 . 1 . . . B 56 A H8 . 19547 2
239 . 2 2 17 17 A C1' C 13 93.537 0.171 . 1 . . . B 56 A C1' . 19547 2
240 . 2 2 17 17 A C2 C 13 154.039 0.126 . 1 . . . B 56 A C2 . 19547 2
241 . 2 2 17 17 A C2' C 13 75.456 0.051 . 1 . . . B 56 A C2' . 19547 2
242 . 2 2 17 17 A C3' C 13 72.752 0.115 . 1 . . . B 56 A C3' . 19547 2
243 . 2 2 17 17 A C4' C 13 82.226 0.025 . 1 . . . B 56 A C4' . 19547 2
244 . 2 2 17 17 A C5' C 13 64.993 0.020 . 1 . . . B 56 A C5' . 19547 2
245 . 2 2 17 17 A C8 C 13 140.010 0.055 . 1 . . . B 56 A C8 . 19547 2
246 . 2 2 18 18 U H1' H 1 5.601 0.014 . 1 . . . B 57 U H1' . 19547 2
247 . 2 2 18 18 U H2' H 1 4.339 0.006 . 1 . . . B 57 U H2' . 19547 2
248 . 2 2 18 18 U H3 H 1 14.043 0.012 . 1 . . . B 57 U H3 . 19547 2
249 . 2 2 18 18 U H3' H 1 4.498 0.011 . 1 . . . B 57 U H3' . 19547 2
250 . 2 2 18 18 U H4' H 1 4.415 0.004 . 1 . . . B 57 U H4' . 19547 2
251 . 2 2 18 18 U H5 H 1 4.979 0.017 . 1 . . . B 57 U H5 . 19547 2
252 . 2 2 18 18 U H5' H 1 4.582 0.004 . 2 . . . B 57 U H5' . 19547 2
253 . 2 2 18 18 U H5'' H 1 4.090 0.005 . 2 . . . B 57 U H5'' . 19547 2
254 . 2 2 18 18 U H6 H 1 7.853 0.013 . 1 . . . B 57 U H6 . 19547 2
255 . 2 2 18 18 U C1' C 13 93.430 0.021 . 1 . . . B 57 U C1' . 19547 2
256 . 2 2 18 18 U C2' C 13 75.441 0.060 . 1 . . . B 57 U C2' . 19547 2
257 . 2 2 18 18 U C3' C 13 72.369 0.181 . 1 . . . B 57 U C3' . 19547 2
258 . 2 2 18 18 U C4' C 13 82.039 0.035 . 1 . . . B 57 U C4' . 19547 2
259 . 2 2 18 18 U C5 C 13 102.413 0.061 . 1 . . . B 57 U C5 . 19547 2
260 . 2 2 18 18 U C5' C 13 64.250 0.150 . 1 . . . B 57 U C5' . 19547 2
261 . 2 2 18 18 U C6 C 13 142.185 0.048 . 1 . . . B 57 U C6 . 19547 2
262 . 2 2 18 18 U N3 N 15 162.646 0.000 . 1 . . . B 57 U N3 . 19547 2
263 . 2 2 19 19 C H1' H 1 5.583 0.009 . 1 . . . B 58 C H1' . 19547 2
264 . 2 2 19 19 C H2' H 1 4.286 0.006 . 1 . . . B 58 C H2' . 19547 2
265 . 2 2 19 19 C H3' H 1 4.464 0.011 . 1 . . . B 58 C H3' . 19547 2
266 . 2 2 19 19 C H4' H 1 4.414 0.003 . 1 . . . B 58 C H4' . 19547 2
267 . 2 2 19 19 C H5 H 1 5.558 0.006 . 1 . . . B 58 C H5 . 19547 2
268 . 2 2 19 19 C H5' H 1 4.529 0.001 . 2 . . . B 58 C H5' . 19547 2
269 . 2 2 19 19 C H5'' H 1 4.068 0.010 . 2 . . . B 58 C H5'' . 19547 2
270 . 2 2 19 19 C H6 H 1 7.898 0.008 . 1 . . . B 58 C H6 . 19547 2
271 . 2 2 19 19 C H41 H 1 8.310 0.000 . 2 . . . B 58 C H41 . 19547 2
272 . 2 2 19 19 C H42 H 1 6.786 0.000 . 2 . . . B 58 C H42 . 19547 2
273 . 2 2 19 19 C C1' C 13 93.941 0.067 . 1 . . . B 58 C C1' . 19547 2
274 . 2 2 19 19 C C2' C 13 75.583 0.027 . 1 . . . B 58 C C2' . 19547 2
275 . 2 2 19 19 C C3' C 13 72.171 0.095 . 1 . . . B 58 C C3' . 19547 2
276 . 2 2 19 19 C C4' C 13 81.937 0.069 . 1 . . . B 58 C C4' . 19547 2
277 . 2 2 19 19 C C5 C 13 97.831 0.666 . 1 . . . B 58 C C5 . 19547 2
278 . 2 2 19 19 C C5' C 13 64.636 0.021 . 1 . . . B 58 C C5' . 19547 2
279 . 2 2 19 19 C C6 C 13 141.721 0.021 . 1 . . . B 58 C C6 . 19547 2
280 . 2 2 20 20 C H1' H 1 5.449 0.006 . 1 . . . B 59 C H1' . 19547 2
281 . 2 2 20 20 C H2' H 1 4.217 0.010 . 1 . . . B 59 C H2' . 19547 2
282 . 2 2 20 20 C H3' H 1 4.468 0.005 . 1 . . . B 59 C H3' . 19547 2
283 . 2 2 20 20 C H4' H 1 4.367 0.008 . 1 . . . B 59 C H4' . 19547 2
284 . 2 2 20 20 C H5 H 1 5.436 0.005 . 1 . . . B 59 C H5 . 19547 2
285 . 2 2 20 20 C H5' H 1 4.558 0.000 . 2 . . . B 59 C H5' . 19547 2
286 . 2 2 20 20 C H5'' H 1 4.037 0.017 . 2 . . . B 59 C H5'' . 19547 2
287 . 2 2 20 20 C H6 H 1 7.776 0.012 . 1 . . . B 59 C H6 . 19547 2
288 . 2 2 20 20 C C1' C 13 94.254 0.033 . 1 . . . B 59 C C1' . 19547 2
289 . 2 2 20 20 C C2' C 13 75.587 0.025 . 1 . . . B 59 C C2' . 19547 2
290 . 2 2 20 20 C C3' C 13 72.204 0.081 . 1 . . . B 59 C C3' . 19547 2
291 . 2 2 20 20 C C4' C 13 81.979 0.031 . 1 . . . B 59 C C4' . 19547 2
292 . 2 2 20 20 C C5 C 13 97.485 0.041 . 1 . . . B 59 C C5 . 19547 2
293 . 2 2 20 20 C C5' C 13 64.454 0.035 . 1 . . . B 59 C C5' . 19547 2
294 . 2 2 20 20 C C6 C 13 141.544 0.169 . 1 . . . B 59 C C6 . 19547 2
295 . 2 2 21 21 C H1' H 1 5.735 0.006 . 1 . . . B 60 C H1' . 19547 2
296 . 2 2 21 21 C H2' H 1 3.975 0.005 . 1 . . . B 60 C H2' . 19547 2
297 . 2 2 21 21 C H3' H 1 4.156 0.004 . 1 . . . B 60 C H3' . 19547 2
298 . 2 2 21 21 C H4' H 1 4.152 0.011 . 1 . . . B 60 C H4' . 19547 2
299 . 2 2 21 21 C H5 H 1 5.454 0.008 . 1 . . . B 60 C H5 . 19547 2
300 . 2 2 21 21 C H5' H 1 4.455 0.006 . 2 . . . B 60 C H5' . 19547 2
301 . 2 2 21 21 C H5'' H 1 4.005 0.000 . 2 . . . B 60 C H5'' . 19547 2
302 . 2 2 21 21 C H6 H 1 7.656 0.005 . 1 . . . B 60 C H6 . 19547 2
303 . 2 2 21 21 C C1' C 13 92.891 0.058 . 1 . . . B 60 C C1' . 19547 2
304 . 2 2 21 21 C C2' C 13 77.559 0.009 . 1 . . . B 60 C C2' . 19547 2
305 . 2 2 21 21 C C3' C 13 69.897 0.007 . 1 . . . B 60 C C3' . 19547 2
306 . 2 2 21 21 C C4' C 13 83.671 0.008 . 1 . . . B 60 C C4' . 19547 2
307 . 2 2 21 21 C C5 C 13 98.031 0.033 . 1 . . . B 60 C C5 . 19547 2
308 . 2 2 21 21 C C5' C 13 65.203 0.073 . 1 . . . B 60 C C5' . 19547 2
309 . 2 2 21 21 C C6 C 13 141.837 0.171 . 1 . . . B 60 C C6 . 19547 2
stop_
save_