NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431918 |
2jrg   |
15331 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jrg
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 562
_Distance_constraint_stats_list.Viol_count 1267
_Distance_constraint_stats_list.Viol_total 372.910
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0268
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 C 3.023 0.068 7 0 "[ . 1 ]"
1 2 C 7.292 0.080 11 0 "[ . 1 ]"
1 3 U 9.292 0.125 9 0 "[ . 1 ]"
1 4 C 10.662 0.134 9 0 "[ . 1 ]"
1 5 C 4.801 0.085 5 0 "[ . 1 ]"
1 6 C 0.017 0.008 2 0 "[ . 1 ]"
1 7 U 0.015 0.008 2 0 "[ . 1 ]"
1 8 CM0 0.027 0.022 11 0 "[ . 1 ]"
1 9 A 0.044 0.022 11 0 "[ . 1 ]"
1 10 C 0.000 0.000 . 0 "[ . 1 ]"
1 11 6MZ 0.068 0.022 8 0 "[ . 1 ]"
1 12 A 0.085 0.022 8 0 "[ . 1 ]"
1 13 G 3.645 0.051 1 0 "[ . 1 ]"
1 14 G 6.678 0.105 3 0 "[ . 1 ]"
1 15 A 8.230 0.134 9 0 "[ . 1 ]"
1 16 G 5.430 0.095 11 0 "[ . 1 ]"
1 17 G 3.375 0.068 1 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C H1' 1 1 C H2' 2.805 2.705 2.905 2.788 2.786 2.791 . 0 0 "[ . 1 ]" 1
2 1 1 C H1' 1 1 C H3' 3.857 3.757 3.957 3.857 3.854 3.858 . 0 0 "[ . 1 ]" 1
3 1 1 C H1' 1 1 C H4' 3.398 3.298 3.498 3.429 3.406 3.434 . 0 0 "[ . 1 ]" 1
4 1 1 C H1' 1 1 C H5' 4.577 4.477 4.677 4.571 4.564 4.627 . 0 0 "[ . 1 ]" 1
5 1 1 C H1' 1 1 C HO2' 2.989 2.889 3.089 3.021 3.017 3.028 . 0 0 "[ . 1 ]" 1
6 1 1 C H1' 1 1 C H6 3.520 3.420 3.620 3.538 3.536 3.540 . 0 0 "[ . 1 ]" 1
7 1 1 C H1' 1 2 C H5' 4.676 4.576 4.776 4.778 4.774 4.784 0.008 5 0 "[ . 1 ]" 1
8 1 1 C H1' 1 2 C H6 4.297 4.197 4.397 4.461 4.457 4.464 0.067 5 0 "[ . 1 ]" 1
9 1 1 C H1' 1 2 C H5 4.979 4.879 5.079 5.074 5.065 5.081 0.002 1 0 "[ . 1 ]" 1
10 1 1 C H2' 1 1 C H3' 2.425 2.325 2.525 2.410 2.408 2.411 . 0 0 "[ . 1 ]" 1
11 1 1 C H2' 1 1 C H4' 3.813 3.713 3.913 3.816 3.806 3.818 . 0 0 "[ . 1 ]" 1
12 1 1 C H2' 1 1 C HO2' 2.192 2.092 2.292 2.125 2.123 2.127 . 0 0 "[ . 1 ]" 1
13 1 1 C H2' 1 1 C H6 3.999 3.899 4.099 3.919 3.915 3.923 . 0 0 "[ . 1 ]" 1
14 1 1 C H2' 1 2 C H1' 4.193 4.093 4.293 4.254 4.245 4.267 . 0 0 "[ . 1 ]" 1
15 1 1 C H2' 1 2 C H3' 4.263 4.163 4.363 4.319 4.313 4.325 . 0 0 "[ . 1 ]" 1
16 1 1 C H2' 1 2 C H4' 4.441 4.341 4.541 4.520 4.513 4.532 . 0 0 "[ . 1 ]" 1
17 1 1 C H2' 1 2 C H5' 2.890 2.790 2.990 2.951 2.943 2.963 . 0 0 "[ . 1 ]" 1
18 1 1 C H2' 1 2 C H5'' 4.268 4.168 4.368 4.361 4.354 4.366 . 0 0 "[ . 1 ]" 1
19 1 1 C H2' 1 2 C H6 1.583 . 1.683 1.749 1.747 1.751 0.068 7 0 "[ . 1 ]" 1
20 1 1 C H2' 1 2 C H5 3.089 2.989 3.189 3.142 3.128 3.153 . 0 0 "[ . 1 ]" 1
21 1 1 C H3' 1 1 C H4' 3.007 2.907 3.107 3.004 3.003 3.006 . 0 0 "[ . 1 ]" 1
22 1 1 C H3' 1 1 C H5' 3.687 3.587 3.787 3.671 3.663 3.719 . 0 0 "[ . 1 ]" 1
23 1 1 C H3' 1 1 C H5'' 3.085 2.985 3.185 3.077 2.979 3.094 0.006 5 0 "[ . 1 ]" 1
24 1 1 C H3' 1 1 C HO2' 3.993 3.893 4.093 3.881 3.879 3.884 0.014 5 0 "[ . 1 ]" 1
25 1 1 C H3' 1 1 C H6 2.988 2.888 3.088 2.873 2.868 2.876 0.020 11 0 "[ . 1 ]" 1
26 1 1 C H3' 1 1 C H5 4.769 4.669 4.869 4.640 4.637 4.645 0.032 9 0 "[ . 1 ]" 1
27 1 1 C H3' 1 2 C H5' 3.958 3.858 4.058 4.004 3.992 4.018 . 0 0 "[ . 1 ]" 1
28 1 1 C H3' 1 2 C H5'' 4.908 4.808 5.008 4.980 4.977 4.989 . 0 0 "[ . 1 ]" 1
29 1 1 C H3' 1 2 C H6 3.104 3.004 3.204 3.134 3.124 3.155 . 0 0 "[ . 1 ]" 1
30 1 1 C H3' 1 2 C H5 3.313 3.213 3.413 3.328 3.314 3.343 . 0 0 "[ . 1 ]" 1
31 1 1 C H4' 1 1 C H5' 2.534 2.434 2.634 2.527 2.461 2.536 . 0 0 "[ . 1 ]" 1
32 1 1 C H4' 1 1 C H5'' 2.370 2.270 2.470 2.334 2.325 2.386 . 0 0 "[ . 1 ]" 1
33 1 1 C H4' 1 1 C HO2' 3.778 3.678 3.878 3.739 3.719 3.744 . 0 0 "[ . 1 ]" 1
34 1 1 C H4' 1 1 C H6 4.053 3.953 4.153 3.989 3.985 4.003 . 0 0 "[ . 1 ]" 1
35 1 1 C H4' 1 2 C H5' 4.167 4.067 4.267 4.289 4.283 4.297 0.030 3 0 "[ . 1 ]" 1
36 1 1 C H5' 1 1 C H5'' 1.776 . 1.876 1.773 1.772 1.775 . 0 0 "[ . 1 ]" 1
37 1 1 C H5' 1 1 C H6 3.241 3.141 3.341 3.159 3.137 3.348 0.007 5 0 "[ . 1 ]" 1
38 1 1 C H5'' 1 1 C H6 4.055 3.955 4.155 3.944 3.930 3.949 0.025 5 0 "[ . 1 ]" 1
39 1 1 C HO2' 1 2 C H1' 4.151 4.051 4.251 4.262 4.258 4.265 0.014 4 0 "[ . 1 ]" 1
40 1 1 C HO2' 1 2 C H3' 4.845 4.745 4.945 4.861 4.849 4.869 . 0 0 "[ . 1 ]" 1
41 1 1 C HO2' 1 2 C H4' 3.522 3.422 3.622 3.633 3.630 3.636 0.014 4 0 "[ . 1 ]" 1
42 1 1 C HO2' 1 2 C H5' 1.994 . 2.094 1.978 1.971 1.987 . 0 0 "[ . 1 ]" 1
43 1 1 C HO2' 1 2 C H5'' 3.738 3.638 3.838 3.736 3.730 3.744 . 0 0 "[ . 1 ]" 1
44 1 1 C HO2' 1 2 C H6 3.221 3.121 3.321 3.269 3.257 3.281 . 0 0 "[ . 1 ]" 1
45 1 1 C H41 1 1 C H42 1.784 . 1.884 1.750 1.749 1.752 . 0 0 "[ . 1 ]" 1
46 1 1 C H42 1 1 C H6 4.651 4.551 4.751 4.630 4.627 4.632 . 0 0 "[ . 1 ]" 1
47 1 1 C H42 1 1 C H5 2.426 2.326 2.526 2.416 2.413 2.419 . 0 0 "[ . 1 ]" 1
48 1 1 C H42 1 2 C H42 3.221 3.121 3.321 3.123 3.119 3.127 0.002 2 0 "[ . 1 ]" 1
49 1 1 C H42 1 2 C H41 4.124 4.024 4.224 4.003 4.000 4.009 0.024 9 0 "[ . 1 ]" 1
50 1 1 C H42 1 2 C H5 4.475 4.375 4.575 4.454 4.449 4.462 . 0 0 "[ . 1 ]" 1
51 1 1 C H41 1 1 C H5 3.708 3.608 3.808 3.676 3.674 3.678 . 0 0 "[ . 1 ]" 1
52 1 1 C H41 1 2 C H42 3.066 2.966 3.166 3.027 3.024 3.030 . 0 0 "[ . 1 ]" 1
53 1 1 C H41 1 2 C H41 3.264 3.164 3.364 3.199 3.196 3.205 . 0 0 "[ . 1 ]" 1
54 1 1 C H41 1 2 C H5 4.393 4.293 4.493 4.434 4.429 4.440 . 0 0 "[ . 1 ]" 1
55 1 1 C H5 1 1 C H6 2.457 2.357 2.557 2.441 2.440 2.441 . 0 0 "[ . 1 ]" 1
56 1 1 C H6 1 2 C H6 4.951 4.851 5.051 4.968 4.961 4.979 . 0 0 "[ . 1 ]" 1
57 1 1 C H6 1 2 C H5 4.001 3.901 4.101 4.018 4.013 4.023 . 0 0 "[ . 1 ]" 1
58 1 1 C H5 1 2 C H42 4.046 3.946 4.146 3.943 3.938 3.948 0.008 3 0 "[ . 1 ]" 1
59 1 1 C H5 1 2 C H5 3.995 3.895 4.095 3.953 3.948 3.960 . 0 0 "[ . 1 ]" 1
60 1 2 C H1' 1 2 C H2' 2.805 2.705 2.905 2.790 2.787 2.792 . 0 0 "[ . 1 ]" 1
61 1 2 C H1' 1 2 C H3' 3.857 3.757 3.957 3.841 3.837 3.843 . 0 0 "[ . 1 ]" 1
62 1 2 C H1' 1 2 C H4' 3.398 3.298 3.498 3.374 3.371 3.377 . 0 0 "[ . 1 ]" 1
63 1 2 C H1' 1 2 C H5' 4.577 4.477 4.677 4.557 4.555 4.561 . 0 0 "[ . 1 ]" 1
64 1 2 C H1' 1 2 C HO2' 2.989 2.889 3.089 2.990 2.978 2.995 . 0 0 "[ . 1 ]" 1
65 1 2 C H1' 1 2 C H6 3.521 3.421 3.621 3.535 3.532 3.537 . 0 0 "[ . 1 ]" 1
66 1 2 C H1' 1 3 U H5' 4.677 4.577 4.777 4.776 4.770 4.786 0.009 11 0 "[ . 1 ]" 1
67 1 2 C H1' 1 3 U H6 4.282 4.182 4.382 4.422 4.416 4.425 0.043 9 0 "[ . 1 ]" 1
68 1 2 C H1' 1 3 U H5 4.941 4.841 5.041 5.109 5.099 5.121 0.080 11 0 "[ . 1 ]" 1
69 1 2 C H2' 1 2 C H3' 2.425 2.325 2.525 2.413 2.411 2.416 . 0 0 "[ . 1 ]" 1
70 1 2 C H2' 1 2 C H4' 3.813 3.713 3.913 3.787 3.783 3.791 . 0 0 "[ . 1 ]" 1
71 1 2 C H2' 1 2 C HO2' 2.193 2.093 2.293 2.124 2.123 2.126 . 0 0 "[ . 1 ]" 1
72 1 2 C H2' 1 2 C H6 4.000 3.900 4.100 3.914 3.912 3.924 . 0 0 "[ . 1 ]" 1
73 1 2 C H2' 1 3 U H1' 4.192 4.092 4.292 4.161 4.096 4.205 . 0 0 "[ . 1 ]" 1
74 1 2 C H2' 1 3 U H3' 4.263 4.163 4.363 4.358 4.352 4.366 0.003 5 0 "[ . 1 ]" 1
75 1 2 C H2' 1 3 U H4' 4.441 4.341 4.541 4.442 4.408 4.465 . 0 0 "[ . 1 ]" 1
76 1 2 C H2' 1 3 U H5' 2.891 2.791 2.991 3.006 2.999 3.011 0.020 5 0 "[ . 1 ]" 1
77 1 2 C H2' 1 3 U H5'' 4.268 4.168 4.368 4.339 4.338 4.341 . 0 0 "[ . 1 ]" 1
78 1 2 C H2' 1 3 U H6 1.566 . 1.666 1.719 1.712 1.726 0.060 9 0 "[ . 1 ]" 1
79 1 2 C H2' 1 3 U H5 3.030 2.930 3.130 3.121 3.114 3.134 0.004 11 0 "[ . 1 ]" 1
80 1 2 C H3' 1 2 C H4' 3.007 2.907 3.107 3.013 3.012 3.013 . 0 0 "[ . 1 ]" 1
81 1 2 C H3' 1 2 C H5' 3.686 3.586 3.786 3.689 3.686 3.692 . 0 0 "[ . 1 ]" 1
82 1 2 C H3' 1 2 C H5'' 3.085 2.985 3.185 3.131 3.129 3.134 . 0 0 "[ . 1 ]" 1
83 1 2 C H3' 1 2 C HO2' 3.993 3.893 4.093 3.896 3.893 3.902 0.000 6 0 "[ . 1 ]" 1
84 1 2 C H3' 1 2 C H6 2.989 2.889 3.089 2.858 2.853 2.863 0.036 7 0 "[ . 1 ]" 1
85 1 2 C H3' 1 2 C H5 4.769 4.669 4.869 4.640 4.635 4.642 0.034 11 0 "[ . 1 ]" 1
86 1 2 C H3' 1 3 U H5' 3.958 3.858 4.058 4.071 4.064 4.075 0.017 9 0 "[ . 1 ]" 1
87 1 2 C H3' 1 3 U H5'' 4.907 4.807 5.007 5.034 5.025 5.042 0.035 7 0 "[ . 1 ]" 1
88 1 2 C H3' 1 3 U H6 3.100 3.000 3.200 3.195 3.170 3.205 0.005 9 0 "[ . 1 ]" 1
89 1 2 C H3' 1 3 U H5 3.248 3.148 3.348 3.351 3.329 3.359 0.011 9 0 "[ . 1 ]" 1
90 1 2 C H4' 1 2 C H5' 2.534 2.434 2.634 2.530 2.528 2.533 . 0 0 "[ . 1 ]" 1
91 1 2 C H4' 1 2 C H5'' 2.370 2.270 2.470 2.331 2.330 2.333 . 0 0 "[ . 1 ]" 1
92 1 2 C H4' 1 2 C HO2' 3.778 3.678 3.878 3.687 3.676 3.693 0.002 11 0 "[ . 1 ]" 1
93 1 2 C H4' 1 2 C H6 4.053 3.953 4.153 4.027 4.024 4.030 . 0 0 "[ . 1 ]" 1
94 1 2 C H4' 1 3 U H5' 4.167 4.067 4.267 4.233 4.212 4.255 . 0 0 "[ . 1 ]" 1
95 1 2 C H5' 1 2 C H5'' 1.776 . 1.876 1.775 1.774 1.775 . 0 0 "[ . 1 ]" 1
96 1 2 C H5' 1 2 C H6 3.241 3.141 3.341 3.259 3.249 3.265 . 0 0 "[ . 1 ]" 1
97 1 2 C H5'' 1 2 C H6 4.056 3.956 4.156 4.051 4.045 4.057 . 0 0 "[ . 1 ]" 1
98 1 2 C HO2' 1 3 U H1' 4.151 4.051 4.251 4.098 4.045 4.151 0.006 11 0 "[ . 1 ]" 1
99 1 2 C HO2' 1 3 U H3' 4.845 4.745 4.945 4.813 4.803 4.828 . 0 0 "[ . 1 ]" 1
100 1 2 C HO2' 1 3 U H4' 3.521 3.421 3.621 3.457 3.415 3.502 0.006 11 0 "[ . 1 ]" 1
101 1 2 C HO2' 1 3 U H5' 1.994 . 2.094 2.003 1.988 2.027 . 0 0 "[ . 1 ]" 1
102 1 2 C HO2' 1 3 U H5'' 3.738 3.638 3.838 3.735 3.724 3.751 . 0 0 "[ . 1 ]" 1
103 1 2 C HO2' 1 3 U H6 3.200 3.100 3.300 3.230 3.223 3.241 . 0 0 "[ . 1 ]" 1
104 1 2 C H41 1 2 C H42 1.784 . 1.884 1.756 1.755 1.758 . 0 0 "[ . 1 ]" 1
105 1 2 C H42 1 2 C H6 4.650 4.550 4.750 4.617 4.614 4.620 . 0 0 "[ . 1 ]" 1
106 1 2 C H42 1 2 C H5 2.425 2.325 2.525 2.403 2.400 2.405 . 0 0 "[ . 1 ]" 1
107 1 2 C H42 1 3 U H5 4.531 4.431 4.631 4.565 4.536 4.593 . 0 0 "[ . 1 ]" 1
108 1 2 C H41 1 2 C H5 3.708 3.608 3.808 3.669 3.668 3.671 . 0 0 "[ . 1 ]" 1
109 1 2 C H41 1 3 U H3 4.568 4.468 4.668 4.693 4.688 4.697 0.029 4 0 "[ . 1 ]" 1
110 1 2 C H41 1 3 U H5 4.454 4.354 4.554 4.521 4.488 4.556 0.002 11 0 "[ . 1 ]" 1
111 1 2 C H5 1 2 C H6 2.456 2.356 2.556 2.439 2.438 2.440 . 0 0 "[ . 1 ]" 1
112 1 2 C H6 1 3 U H6 4.950 4.850 5.050 4.977 4.969 4.983 . 0 0 "[ . 1 ]" 1
113 1 2 C H6 1 3 U H5 3.980 3.880 4.080 4.088 4.081 4.094 0.014 7 0 "[ . 1 ]" 1
114 1 2 C H5 1 3 U H5 4.017 3.917 4.117 4.055 4.038 4.071 . 0 0 "[ . 1 ]" 1
115 1 3 U H1' 1 3 U H2' 2.805 2.705 2.905 2.790 2.787 2.792 . 0 0 "[ . 1 ]" 1
116 1 3 U H1' 1 3 U H3' 3.857 3.757 3.957 3.848 3.844 3.850 . 0 0 "[ . 1 ]" 1
117 1 3 U H1' 1 3 U H4' 3.397 3.297 3.497 3.373 3.372 3.376 . 0 0 "[ . 1 ]" 1
118 1 3 U H1' 1 3 U H5' 4.576 4.476 4.676 4.588 4.585 4.591 . 0 0 "[ . 1 ]" 1
119 1 3 U H1' 1 3 U HO2' 2.990 2.890 3.090 2.853 2.838 2.862 0.052 11 0 "[ . 1 ]" 1
120 1 3 U H1' 1 3 U H3 4.622 4.522 4.722 4.605 4.603 4.608 . 0 0 "[ . 1 ]" 1
121 1 3 U H1' 1 3 U H6 3.514 3.414 3.614 3.503 3.497 3.507 . 0 0 "[ . 1 ]" 1
122 1 3 U H1' 1 4 C H5' 4.677 4.577 4.777 4.564 4.558 4.573 0.019 5 0 "[ . 1 ]" 1
123 1 3 U H1' 1 4 C H6 4.320 4.220 4.420 4.491 4.487 4.495 0.075 5 0 "[ . 1 ]" 1
124 1 3 U H2' 1 3 U H3' 2.425 2.325 2.525 2.407 2.403 2.409 . 0 0 "[ . 1 ]" 1
125 1 3 U H2' 1 3 U H4' 3.813 3.713 3.913 3.791 3.788 3.795 . 0 0 "[ . 1 ]" 1
126 1 3 U H2' 1 3 U HO2' 2.193 2.093 2.293 2.124 2.122 2.127 . 0 0 "[ . 1 ]" 1
127 1 3 U H2' 1 3 U H3 4.540 4.440 4.640 4.462 4.451 4.467 . 0 0 "[ . 1 ]" 1
128 1 3 U H2' 1 3 U H6 4.005 3.905 4.105 3.950 3.947 3.957 . 0 0 "[ . 1 ]" 1
129 1 3 U H2' 1 4 C H1' 4.192 4.092 4.292 4.131 4.112 4.136 . 0 0 "[ . 1 ]" 1
130 1 3 U H2' 1 4 C H3' 4.263 4.163 4.363 4.321 4.316 4.329 . 0 0 "[ . 1 ]" 1
131 1 3 U H2' 1 4 C H4' 4.442 4.342 4.542 4.314 4.308 4.321 0.034 11 0 "[ . 1 ]" 1
132 1 3 U H2' 1 4 C H5' 2.891 2.791 2.991 2.887 2.882 2.894 . 0 0 "[ . 1 ]" 1
133 1 3 U H2' 1 4 C H5'' 4.268 4.168 4.368 4.185 4.181 4.191 . 0 0 "[ . 1 ]" 1
134 1 3 U H2' 1 4 C H6 1.673 . 1.773 1.782 1.779 1.786 0.013 5 0 "[ . 1 ]" 1
135 1 3 U H3' 1 3 U H4' 3.007 2.907 3.107 3.013 3.012 3.014 . 0 0 "[ . 1 ]" 1
136 1 3 U H3' 1 3 U H5' 3.686 3.586 3.786 3.731 3.727 3.736 . 0 0 "[ . 1 ]" 1
137 1 3 U H3' 1 3 U H5'' 3.085 2.985 3.185 3.058 3.044 3.068 . 0 0 "[ . 1 ]" 1
138 1 3 U H3' 1 3 U HO2' 3.993 3.893 4.093 3.940 3.938 3.945 . 0 0 "[ . 1 ]" 1
139 1 3 U H3' 1 3 U H6 2.992 2.892 3.092 2.950 2.937 2.966 . 0 0 "[ . 1 ]" 1
140 1 3 U H3' 1 3 U H5 4.723 4.623 4.823 4.708 4.688 4.730 . 0 0 "[ . 1 ]" 1
141 1 3 U H3' 1 4 C H5' 3.958 3.858 4.058 4.090 4.083 4.100 0.042 5 0 "[ . 1 ]" 1
142 1 3 U H3' 1 4 C H5'' 4.908 4.808 5.008 5.013 5.009 5.022 0.014 11 0 "[ . 1 ]" 1
143 1 3 U H3' 1 4 C H6 3.024 2.924 3.124 3.176 3.172 3.178 0.054 1 0 "[ . 1 ]" 1
144 1 3 U H4' 1 3 U H5' 2.533 2.433 2.633 2.482 2.476 2.488 . 0 0 "[ . 1 ]" 1
145 1 3 U H4' 1 3 U H5'' 2.370 2.270 2.470 2.369 2.365 2.377 . 0 0 "[ . 1 ]" 1
146 1 3 U H4' 1 3 U HO2' 3.778 3.678 3.878 3.727 3.719 3.739 . 0 0 "[ . 1 ]" 1
147 1 3 U H4' 1 3 U H6 4.039 3.939 4.139 4.024 4.022 4.028 . 0 0 "[ . 1 ]" 1
148 1 3 U H4' 1 4 C H5' 4.167 4.067 4.267 4.210 4.198 4.226 . 0 0 "[ . 1 ]" 1
149 1 3 U H5' 1 3 U H5'' 1.776 . 1.876 1.774 1.772 1.775 . 0 0 "[ . 1 ]" 1
150 1 3 U H5' 1 3 U H6 3.223 3.123 3.323 3.335 3.333 3.340 0.017 11 0 "[ . 1 ]" 1
151 1 3 U H5'' 1 3 U H6 4.044 3.944 4.144 4.033 4.021 4.042 . 0 0 "[ . 1 ]" 1
152 1 3 U HO2' 1 4 C H1' 4.151 4.051 4.251 4.175 4.158 4.184 . 0 0 "[ . 1 ]" 1
153 1 3 U HO2' 1 4 C H3' 4.845 4.745 4.945 4.807 4.797 4.812 . 0 0 "[ . 1 ]" 1
154 1 3 U HO2' 1 4 C H4' 3.521 3.421 3.621 3.355 3.341 3.367 0.080 11 0 "[ . 1 ]" 1
155 1 3 U HO2' 1 4 C H5' 1.995 . 2.095 1.911 1.904 1.922 . 0 0 "[ . 1 ]" 1
156 1 3 U HO2' 1 4 C H5'' 3.738 3.638 3.838 3.647 3.638 3.654 . 0 0 "[ . 1 ]" 1
157 1 3 U HO2' 1 4 C H6 3.220 3.120 3.320 3.355 3.353 3.357 0.037 10 0 "[ . 1 ]" 1
158 1 3 U H3 1 3 U H6 4.817 4.717 4.917 4.772 4.770 4.773 . 0 0 "[ . 1 ]" 1
159 1 3 U H3 1 3 U H5 4.231 4.131 4.331 4.205 4.204 4.207 . 0 0 "[ . 1 ]" 1
160 1 3 U H3 1 4 C H6 4.402 4.302 4.502 4.623 4.619 4.627 0.125 9 0 "[ . 1 ]" 1
161 1 3 U H5 1 3 U H6 2.416 2.316 2.516 2.403 2.401 2.404 . 0 0 "[ . 1 ]" 1
162 1 3 U H6 1 4 C H6 4.950 4.850 5.050 5.042 5.029 5.059 0.009 11 0 "[ . 1 ]" 1
163 1 4 C H1' 1 4 C H2' 2.805 2.705 2.905 2.791 2.790 2.792 . 0 0 "[ . 1 ]" 1
164 1 4 C H1' 1 4 C H3' 3.857 3.757 3.957 3.860 3.856 3.862 . 0 0 "[ . 1 ]" 1
165 1 4 C H1' 1 4 C H4' 3.398 3.298 3.498 3.413 3.408 3.421 . 0 0 "[ . 1 ]" 1
166 1 4 C H1' 1 4 C H5' 4.577 4.477 4.677 4.628 4.623 4.634 . 0 0 "[ . 1 ]" 1
167 1 4 C H1' 1 4 C HO2' 2.989 2.889 3.089 2.903 2.892 2.923 . 0 0 "[ . 1 ]" 1
168 1 4 C H1' 1 4 C H6 3.520 3.420 3.620 3.528 3.525 3.531 . 0 0 "[ . 1 ]" 1
169 1 4 C H1' 1 5 C H5' 4.676 4.576 4.776 4.636 4.575 4.685 0.001 5 0 "[ . 1 ]" 1
170 1 4 C H1' 1 5 C H6 4.297 4.197 4.397 4.462 4.458 4.465 0.068 9 0 "[ . 1 ]" 1
171 1 4 C H1' 1 5 C H5 4.979 4.879 5.079 5.097 5.092 5.102 0.023 1 0 "[ . 1 ]" 1
172 1 4 C H2' 1 4 C H3' 2.425 2.325 2.525 2.411 2.409 2.413 . 0 0 "[ . 1 ]" 1
173 1 4 C H2' 1 4 C H4' 3.813 3.713 3.913 3.810 3.807 3.812 . 0 0 "[ . 1 ]" 1
174 1 4 C H2' 1 4 C HO2' 2.192 2.092 2.292 2.129 2.126 2.132 . 0 0 "[ . 1 ]" 1
175 1 4 C H2' 1 4 C H6 3.999 3.899 4.099 3.940 3.937 3.944 . 0 0 "[ . 1 ]" 1
176 1 4 C H2' 1 5 C H1' 4.193 4.093 4.293 4.318 4.312 4.322 0.029 4 0 "[ . 1 ]" 1
177 1 4 C H2' 1 5 C H3' 4.263 4.163 4.363 4.303 4.277 4.349 . 0 0 "[ . 1 ]" 1
178 1 4 C H2' 1 5 C H4' 4.441 4.341 4.541 4.499 4.477 4.516 . 0 0 "[ . 1 ]" 1
179 1 4 C H2' 1 5 C H5' 2.890 2.790 2.990 2.899 2.845 2.937 . 0 0 "[ . 1 ]" 1
180 1 4 C H2' 1 5 C H5'' 4.268 4.168 4.368 4.278 4.243 4.303 . 0 0 "[ . 1 ]" 1
181 1 4 C H2' 1 5 C H6 1.583 . 1.683 1.758 1.754 1.762 0.079 9 0 "[ . 1 ]" 1
182 1 4 C H2' 1 5 C H5 3.089 2.989 3.189 3.130 3.125 3.136 . 0 0 "[ . 1 ]" 1
183 1 4 C H3' 1 4 C H4' 3.007 2.907 3.107 3.006 3.004 3.007 . 0 0 "[ . 1 ]" 1
184 1 4 C H3' 1 4 C H5' 3.687 3.587 3.787 3.725 3.721 3.728 . 0 0 "[ . 1 ]" 1
185 1 4 C H3' 1 4 C H5'' 3.085 2.985 3.185 2.973 2.965 2.977 0.020 11 0 "[ . 1 ]" 1
186 1 4 C H3' 1 4 C HO2' 3.993 3.893 4.093 3.931 3.921 3.939 . 0 0 "[ . 1 ]" 1
187 1 4 C H3' 1 4 C H6 2.988 2.888 3.088 2.926 2.918 2.933 . 0 0 "[ . 1 ]" 1
188 1 4 C H3' 1 4 C H5 4.769 4.669 4.869 4.637 4.626 4.643 0.043 5 0 "[ . 1 ]" 1
189 1 4 C H3' 1 5 C H5' 3.958 3.858 4.058 4.038 4.001 4.062 0.004 9 0 "[ . 1 ]" 1
190 1 4 C H3' 1 5 C H5'' 4.908 4.808 5.008 4.976 4.958 4.989 . 0 0 "[ . 1 ]" 1
191 1 4 C H3' 1 5 C H6 3.104 3.004 3.204 3.218 3.207 3.221 0.017 4 0 "[ . 1 ]" 1
192 1 4 C H3' 1 5 C H5 3.313 3.213 3.413 3.400 3.385 3.414 0.001 2 0 "[ . 1 ]" 1
193 1 4 C H4' 1 4 C H5' 2.534 2.434 2.634 2.465 2.462 2.467 . 0 0 "[ . 1 ]" 1
194 1 4 C H4' 1 4 C H5'' 2.370 2.270 2.470 2.396 2.391 2.403 . 0 0 "[ . 1 ]" 1
195 1 4 C H4' 1 4 C HO2' 3.778 3.678 3.878 3.753 3.750 3.758 . 0 0 "[ . 1 ]" 1
196 1 4 C H4' 1 4 C H6 4.053 3.953 4.153 4.020 4.014 4.023 . 0 0 "[ . 1 ]" 1
197 1 4 C H4' 1 5 C H5' 4.167 4.067 4.267 4.232 4.184 4.269 0.002 9 0 "[ . 1 ]" 1
198 1 4 C H5' 1 4 C H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1
199 1 4 C H5' 1 4 C H6 3.241 3.141 3.341 3.350 3.342 3.359 0.018 5 0 "[ . 1 ]" 1
200 1 4 C H5'' 1 4 C H6 4.055 3.955 4.155 3.945 3.933 3.951 0.022 11 0 "[ . 1 ]" 1
201 1 4 C HO2' 1 5 C H1' 4.151 4.051 4.251 4.257 4.247 4.263 0.012 5 0 "[ . 1 ]" 1
202 1 4 C HO2' 1 5 C H3' 4.845 4.745 4.945 4.847 4.836 4.860 . 0 0 "[ . 1 ]" 1
203 1 4 C HO2' 1 5 C H4' 3.522 3.422 3.622 3.604 3.546 3.623 0.001 6 0 "[ . 1 ]" 1
204 1 4 C HO2' 1 5 C H5' 1.994 . 2.094 1.954 1.906 1.985 . 0 0 "[ . 1 ]" 1
205 1 4 C HO2' 1 5 C H5'' 3.738 3.638 3.838 3.712 3.664 3.742 . 0 0 "[ . 1 ]" 1
206 1 4 C HO2' 1 5 C H6 3.221 3.121 3.321 3.281 3.277 3.286 . 0 0 "[ . 1 ]" 1
207 1 4 C H41 1 4 C H42 1.784 . 1.884 1.748 1.747 1.750 . 0 0 "[ . 1 ]" 1
208 1 4 C H42 1 4 C H6 4.651 4.551 4.751 4.626 4.624 4.629 . 0 0 "[ . 1 ]" 1
209 1 4 C H42 1 4 C H5 2.426 2.326 2.526 2.416 2.414 2.418 . 0 0 "[ . 1 ]" 1
210 1 4 C H42 1 5 C H42 3.221 3.121 3.321 3.136 3.131 3.147 . 0 0 "[ . 1 ]" 1
211 1 4 C H42 1 5 C H41 4.124 4.024 4.224 4.013 4.008 4.020 0.016 8 0 "[ . 1 ]" 1
212 1 4 C H42 1 5 C H5 4.475 4.375 4.575 4.409 4.400 4.423 . 0 0 "[ . 1 ]" 1
213 1 4 C H41 1 4 C H5 3.708 3.608 3.808 3.668 3.666 3.669 . 0 0 "[ . 1 ]" 1
214 1 4 C H41 1 5 C H42 3.066 2.966 3.166 2.964 2.958 2.970 0.008 9 0 "[ . 1 ]" 1
215 1 4 C H41 1 5 C H41 3.264 3.164 3.364 3.133 3.128 3.141 0.036 9 0 "[ . 1 ]" 1
216 1 4 C H41 1 5 C H5 4.393 4.293 4.493 4.330 4.320 4.337 . 0 0 "[ . 1 ]" 1
217 1 4 C H5 1 4 C H6 2.457 2.357 2.557 2.438 2.437 2.439 . 0 0 "[ . 1 ]" 1
218 1 4 C H6 1 5 C H6 4.951 4.851 5.051 5.057 5.052 5.062 0.011 11 0 "[ . 1 ]" 1
219 1 4 C H6 1 5 C H5 4.001 3.901 4.101 4.133 4.127 4.139 0.038 5 0 "[ . 1 ]" 1
220 1 4 C H5 1 5 C H42 4.046 3.946 4.146 4.059 4.049 4.071 . 0 0 "[ . 1 ]" 1
221 1 4 C H5 1 5 C H5 3.995 3.895 4.095 4.002 3.995 4.016 . 0 0 "[ . 1 ]" 1
222 1 13 G H1' 1 13 G H2' 2.805 2.705 2.905 2.793 2.790 2.798 . 0 0 "[ . 1 ]" 1
223 1 13 G H1' 1 13 G H3' 3.857 3.757 3.957 3.842 3.839 3.848 . 0 0 "[ . 1 ]" 1
224 1 13 G H1' 1 13 G H4' 3.398 3.298 3.498 3.393 3.374 3.405 . 0 0 "[ . 1 ]" 1
225 1 13 G H1' 1 13 G H5' 4.577 4.477 4.677 4.633 4.617 4.647 . 0 0 "[ . 1 ]" 1
226 1 13 G H1' 1 13 G HO2' 2.565 2.465 2.665 2.567 2.485 2.614 . 0 0 "[ . 1 ]" 1
227 1 13 G H1' 1 13 G H22 4.774 4.674 4.874 4.778 4.708 4.803 . 0 0 "[ . 1 ]" 1
228 1 13 G H1' 1 13 G H8 3.727 3.627 3.827 3.679 3.670 3.704 . 0 0 "[ . 1 ]" 1
229 1 13 G H1' 1 14 G H5' 4.677 4.577 4.777 4.735 4.691 4.777 0.000 11 0 "[ . 1 ]" 1
230 1 13 G H1' 1 14 G H8 4.319 4.219 4.419 4.453 4.436 4.462 0.043 1 0 "[ . 1 ]" 1
231 1 13 G H2' 1 13 G H3' 2.425 2.325 2.525 2.417 2.415 2.420 . 0 0 "[ . 1 ]" 1
232 1 13 G H2' 1 13 G H4' 3.813 3.713 3.913 3.793 3.788 3.799 . 0 0 "[ . 1 ]" 1
233 1 13 G H2' 1 13 G HO2' 2.947 2.847 3.047 2.859 2.856 2.861 . 0 0 "[ . 1 ]" 1
234 1 13 G H2' 1 13 G H22 4.701 4.601 4.801 4.702 4.680 4.762 . 0 0 "[ . 1 ]" 1
235 1 13 G H2' 1 13 G H8 4.149 4.049 4.249 4.088 4.043 4.106 0.006 2 0 "[ . 1 ]" 1
236 1 13 G H2' 1 14 G H1' 4.192 4.092 4.292 4.188 4.158 4.217 . 0 0 "[ . 1 ]" 1
237 1 13 G H2' 1 14 G H3' 4.263 4.163 4.363 4.325 4.272 4.354 . 0 0 "[ . 1 ]" 1
238 1 13 G H2' 1 14 G H4' 4.442 4.342 4.542 4.398 4.378 4.411 . 0 0 "[ . 1 ]" 1
239 1 13 G H2' 1 14 G H5' 2.891 2.791 2.991 2.836 2.797 2.916 . 0 0 "[ . 1 ]" 1
240 1 13 G H2' 1 14 G H5'' 4.268 4.168 4.368 4.271 4.237 4.300 . 0 0 "[ . 1 ]" 1
241 1 13 G H2' 1 14 G H8 1.673 . 1.773 1.821 1.816 1.824 0.051 1 0 "[ . 1 ]" 1
242 1 13 G H3' 1 13 G H4' 3.008 2.908 3.108 3.011 3.009 3.013 . 0 0 "[ . 1 ]" 1
243 1 13 G H3' 1 13 G H5' 3.687 3.587 3.787 3.726 3.710 3.734 . 0 0 "[ . 1 ]" 1
244 1 13 G H3' 1 13 G H5'' 3.086 2.986 3.186 2.981 2.965 3.015 0.021 7 0 "[ . 1 ]" 1
245 1 13 G H3' 1 13 G HO2' 3.597 3.497 3.697 3.547 3.524 3.581 . 0 0 "[ . 1 ]" 1
246 1 13 G H3' 1 13 G H8 3.196 3.096 3.296 3.084 3.052 3.099 0.044 2 0 "[ . 1 ]" 1
247 1 13 G H3' 1 14 G H5' 3.959 3.859 4.059 3.950 3.917 4.052 . 0 0 "[ . 1 ]" 1
248 1 13 G H3' 1 14 G H5'' 4.908 4.808 5.008 4.944 4.924 4.990 . 0 0 "[ . 1 ]" 1
249 1 13 G H3' 1 14 G H8 3.023 2.923 3.123 2.989 2.952 3.118 . 0 0 "[ . 1 ]" 1
250 1 13 G H4' 1 13 G H5' 2.534 2.434 2.634 2.456 2.441 2.479 . 0 0 "[ . 1 ]" 1
251 1 13 G H4' 1 13 G H5'' 2.370 2.270 2.470 2.398 2.377 2.410 . 0 0 "[ . 1 ]" 1
252 1 13 G H4' 1 13 G HO2' 2.044 . 2.144 2.055 2.033 2.093 . 0 0 "[ . 1 ]" 1
253 1 13 G H4' 1 13 G H8 4.409 4.309 4.509 4.312 4.303 4.330 0.006 4 0 "[ . 1 ]" 1
254 1 13 G H4' 1 14 G H5' 4.167 4.067 4.267 4.274 4.268 4.282 0.015 2 0 "[ . 1 ]" 1
255 1 13 G H5' 1 13 G H5'' 1.776 . 1.876 1.775 1.774 1.776 . 0 0 "[ . 1 ]" 1
256 1 13 G H5' 1 13 G HO2' 4.410 4.310 4.510 4.383 4.364 4.403 . 0 0 "[ . 1 ]" 1
257 1 13 G H5' 1 13 G H8 3.564 3.464 3.664 3.649 3.578 3.693 0.029 2 0 "[ . 1 ]" 1
258 1 13 G H5'' 1 13 G HO2' 4.310 4.210 4.410 4.297 4.272 4.348 . 0 0 "[ . 1 ]" 1
259 1 13 G H5'' 1 13 G H8 4.368 4.268 4.468 4.228 4.219 4.238 0.049 7 0 "[ . 1 ]" 1
260 1 13 G HO2' 1 14 G H5' 2.941 2.841 3.041 3.006 2.903 3.037 . 0 0 "[ . 1 ]" 1
261 1 13 G HO2' 1 14 G H5'' 4.602 4.502 4.702 4.654 4.561 4.688 . 0 0 "[ . 1 ]" 1
262 1 13 G HO2' 1 14 G H8 4.547 4.447 4.647 4.587 4.572 4.614 . 0 0 "[ . 1 ]" 1
263 1 13 G H21 1 13 G H22 1.784 . 1.884 1.756 1.754 1.758 . 0 0 "[ . 1 ]" 1
264 1 13 G H1 1 13 G H22 3.479 3.379 3.579 3.448 3.445 3.453 . 0 0 "[ . 1 ]" 1
265 1 13 G H22 1 14 G H1' 3.255 3.155 3.355 3.370 3.359 3.377 0.022 8 0 "[ . 1 ]" 1
266 1 13 G H22 1 14 G H8 4.875 4.775 4.975 5.012 5.002 5.023 0.048 2 0 "[ . 1 ]" 1
267 1 13 G H1 1 13 G H21 2.169 2.069 2.269 2.184 2.179 2.195 . 0 0 "[ . 1 ]" 1
268 1 13 G H21 1 14 G H1' 4.205 4.105 4.305 4.188 4.179 4.203 . 0 0 "[ . 1 ]" 1
269 1 13 G H21 1 14 G H22 4.772 4.672 4.872 4.855 4.831 4.876 0.004 5 0 "[ . 1 ]" 1
270 1 13 G H21 1 14 G H1 4.790 4.690 4.890 4.917 4.903 4.922 0.032 3 0 "[ . 1 ]" 1
271 1 5 C H1' 1 13 G H21 4.316 4.216 4.416 4.443 4.429 4.453 0.037 7 0 "[ . 1 ]" 1
272 1 5 C H2' 1 13 G H21 4.666 4.566 4.766 4.790 4.775 4.798 0.032 7 0 "[ . 1 ]" 1
273 1 5 C H41 1 13 G H21 4.566 4.466 4.666 4.512 4.464 4.546 0.002 11 0 "[ . 1 ]" 1
274 1 13 G H8 1 14 G H8 4.797 4.697 4.897 4.757 4.702 4.789 . 0 0 "[ . 1 ]" 1
275 1 13 G H1 1 14 G H1 4.082 3.982 4.182 4.050 4.028 4.083 . 0 0 "[ . 1 ]" 1
276 1 4 C H41 1 13 G H1 4.747 4.647 4.847 4.607 4.602 4.613 0.045 9 0 "[ . 1 ]" 1
277 1 5 C H42 1 13 G H1 4.023 3.923 4.123 3.988 3.944 4.017 . 0 0 "[ . 1 ]" 1
278 1 5 C H41 1 13 G H1 2.478 2.378 2.578 2.421 2.375 2.452 0.003 11 0 "[ . 1 ]" 1
279 1 14 G H1' 1 14 G H2' 2.805 2.705 2.905 2.794 2.791 2.797 . 0 0 "[ . 1 ]" 1
280 1 14 G H1' 1 14 G H3' 3.857 3.757 3.957 3.846 3.843 3.848 . 0 0 "[ . 1 ]" 1
281 1 14 G H1' 1 14 G H4' 3.397 3.297 3.497 3.376 3.356 3.387 . 0 0 "[ . 1 ]" 1
282 1 14 G H1' 1 14 G H5' 4.577 4.477 4.677 4.564 4.554 4.582 . 0 0 "[ . 1 ]" 1
283 1 14 G H1' 1 14 G HO2' 2.565 2.465 2.665 2.448 2.439 2.453 0.026 11 0 "[ . 1 ]" 1
284 1 14 G H1' 1 14 G H22 4.775 4.675 4.875 4.749 4.737 4.773 . 0 0 "[ . 1 ]" 1
285 1 14 G H1' 1 14 G H8 3.727 3.627 3.827 3.681 3.670 3.687 . 0 0 "[ . 1 ]" 1
286 1 14 G H2' 1 14 G H3' 2.425 2.325 2.525 2.410 2.408 2.412 . 0 0 "[ . 1 ]" 1
287 1 14 G H2' 1 14 G H4' 3.813 3.713 3.913 3.792 3.784 3.798 . 0 0 "[ . 1 ]" 1
288 1 14 G H2' 1 14 G HO2' 2.947 2.847 3.047 2.860 2.859 2.861 . 0 0 "[ . 1 ]" 1
289 1 14 G H2' 1 14 G H22 4.701 4.601 4.801 4.713 4.677 4.746 . 0 0 "[ . 1 ]" 1
290 1 14 G H2' 1 14 G H8 4.150 4.050 4.250 4.076 4.057 4.093 . 0 0 "[ . 1 ]" 1
291 1 14 G H3' 1 14 G H4' 3.007 2.907 3.107 3.012 3.010 3.014 . 0 0 "[ . 1 ]" 1
292 1 14 G H3' 1 14 G H5' 3.687 3.587 3.787 3.691 3.680 3.717 . 0 0 "[ . 1 ]" 1
293 1 14 G H3' 1 14 G H5'' 3.085 2.985 3.185 3.109 3.077 3.127 . 0 0 "[ . 1 ]" 1
294 1 14 G H3' 1 14 G HO2' 3.596 3.496 3.696 3.594 3.590 3.600 . 0 0 "[ . 1 ]" 1
295 1 14 G H3' 1 14 G H8 3.196 3.096 3.296 3.105 3.087 3.134 0.009 9 0 "[ . 1 ]" 1
296 1 14 G H4' 1 14 G H5' 2.534 2.434 2.634 2.523 2.494 2.536 . 0 0 "[ . 1 ]" 1
297 1 14 G H4' 1 14 G H5'' 2.370 2.270 2.470 2.337 2.328 2.359 . 0 0 "[ . 1 ]" 1
298 1 14 G H4' 1 14 G HO2' 2.043 . 2.143 2.111 2.095 2.125 . 0 0 "[ . 1 ]" 1
299 1 14 G H4' 1 14 G H8 4.410 4.310 4.510 4.322 4.315 4.333 . 0 0 "[ . 1 ]" 1
300 1 14 G H5' 1 14 G H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1
301 1 14 G H5' 1 14 G HO2' 4.409 4.309 4.509 4.440 4.419 4.449 . 0 0 "[ . 1 ]" 1
302 1 14 G H5' 1 14 G H8 3.564 3.464 3.664 3.514 3.475 3.612 . 0 0 "[ . 1 ]" 1
303 1 14 G H5'' 1 14 G HO2' 4.309 4.209 4.409 4.344 4.328 4.353 . 0 0 "[ . 1 ]" 1
304 1 14 G H5'' 1 14 G H8 4.368 4.268 4.468 4.320 4.304 4.351 . 0 0 "[ . 1 ]" 1
305 1 14 G H21 1 14 G H22 1.784 . 1.884 1.755 1.753 1.756 . 0 0 "[ . 1 ]" 1
306 1 14 G H1 1 14 G H22 3.479 3.379 3.579 3.462 3.460 3.463 . 0 0 "[ . 1 ]" 1
307 1 5 C H1' 1 14 G H22 4.493 4.393 4.593 4.316 4.308 4.325 0.085 5 0 "[ . 1 ]" 1
308 1 14 G H1 1 14 G H21 2.168 2.068 2.268 2.194 2.192 2.195 . 0 0 "[ . 1 ]" 1
309 1 4 C H1' 1 14 G H21 4.317 4.217 4.417 4.266 4.249 4.291 . 0 0 "[ . 1 ]" 1
310 1 4 C H2' 1 14 G H21 4.667 4.567 4.767 4.565 4.558 4.579 0.009 9 0 "[ . 1 ]" 1
311 1 4 C H41 1 14 G H21 4.566 4.466 4.666 4.686 4.682 4.691 0.025 9 0 "[ . 1 ]" 1
312 1 5 C H1' 1 14 G H21 4.373 4.273 4.473 4.287 4.279 4.297 . 0 0 "[ . 1 ]" 1
313 1 5 C H6 1 14 G H21 4.961 4.861 5.061 4.933 4.929 4.946 . 0 0 "[ . 1 ]" 1
314 1 4 C H42 1 14 G H1 4.023 3.923 4.123 4.111 4.105 4.116 . 0 0 "[ . 1 ]" 1
315 1 4 C H41 1 14 G H1 2.478 2.378 2.578 2.587 2.582 2.593 0.015 9 0 "[ . 1 ]" 1
316 1 5 C H42 1 14 G H1 4.085 3.985 4.185 4.182 4.172 4.190 0.005 1 0 "[ . 1 ]" 1
317 1 5 C H41 1 14 G H1 3.888 3.788 3.988 3.904 3.895 3.914 . 0 0 "[ . 1 ]" 1
318 1 5 C H5 1 14 G H1 4.398 4.298 4.498 4.519 4.516 4.521 0.023 7 0 "[ . 1 ]" 1
319 1 14 G H1' 1 15 A H5' 4.677 4.577 4.777 4.630 4.623 4.637 . 0 0 "[ . 1 ]" 1
320 1 14 G H1' 1 15 A H8 4.319 4.219 4.419 4.522 4.518 4.524 0.105 3 0 "[ . 1 ]" 1
321 1 14 G H2' 1 15 A H1' 4.192 4.092 4.292 4.068 4.048 4.077 0.044 11 0 "[ . 1 ]" 1
322 1 14 G H2' 1 15 A H3' 4.263 4.163 4.363 4.297 4.282 4.303 . 0 0 "[ . 1 ]" 1
323 1 14 G H2' 1 15 A H4' 4.442 4.342 4.542 4.377 4.354 4.391 . 0 0 "[ . 1 ]" 1
324 1 14 G H2' 1 15 A H5' 2.891 2.791 2.991 3.001 2.998 3.005 0.014 11 0 "[ . 1 ]" 1
325 1 14 G H2' 1 15 A H5'' 4.268 4.168 4.368 4.297 4.286 4.306 . 0 0 "[ . 1 ]" 1
326 1 14 G H2' 1 15 A H8 1.673 . 1.773 1.820 1.816 1.823 0.050 10 0 "[ . 1 ]" 1
327 1 14 G H3' 1 15 A H5' 3.959 3.859 4.059 4.064 4.060 4.068 0.009 5 0 "[ . 1 ]" 1
328 1 14 G H3' 1 15 A H5'' 4.908 4.808 5.008 5.054 5.051 5.058 0.050 2 0 "[ . 1 ]" 1
329 1 14 G H3' 1 15 A H8 3.023 2.923 3.123 3.149 3.138 3.166 0.043 2 0 "[ . 1 ]" 1
330 1 14 G H4' 1 15 A H5' 4.167 4.067 4.267 4.078 4.062 4.086 0.005 2 0 "[ . 1 ]" 1
331 1 14 G HO2' 1 15 A H5' 2.941 2.841 3.041 2.815 2.806 2.821 0.035 11 0 "[ . 1 ]" 1
332 1 14 G HO2' 1 15 A H5'' 4.602 4.502 4.702 4.545 4.540 4.550 . 0 0 "[ . 1 ]" 1
333 1 14 G HO2' 1 15 A H8 4.547 4.447 4.647 4.536 4.532 4.543 . 0 0 "[ . 1 ]" 1
334 1 15 A H1' 1 15 A H2' 2.805 2.705 2.905 2.792 2.790 2.794 . 0 0 "[ . 1 ]" 1
335 1 15 A H1' 1 15 A H3' 3.857 3.757 3.957 3.852 3.848 3.854 . 0 0 "[ . 1 ]" 1
336 1 15 A H1' 1 15 A H4' 3.397 3.297 3.497 3.413 3.408 3.418 . 0 0 "[ . 1 ]" 1
337 1 15 A H1' 1 15 A H5' 4.577 4.477 4.677 4.618 4.610 4.628 . 0 0 "[ . 1 ]" 1
338 1 15 A H1' 1 15 A HO2' 2.564 2.464 2.664 2.517 2.463 2.575 0.001 6 0 "[ . 1 ]" 1
339 1 15 A H1' 1 15 A H8 3.700 3.600 3.800 3.715 3.710 3.718 . 0 0 "[ . 1 ]" 1
340 1 15 A H1' 1 15 A H2 4.791 4.691 4.891 4.746 4.738 4.754 . 0 0 "[ . 1 ]" 1
341 1 15 A H1' 1 16 G H5' 4.677 4.577 4.777 4.613 4.599 4.622 . 0 0 "[ . 1 ]" 1
342 1 15 A H1' 1 16 G H8 4.320 4.220 4.420 4.447 4.443 4.453 0.033 11 0 "[ . 1 ]" 1
343 1 15 A H2' 1 15 A H3' 2.425 2.325 2.525 2.414 2.412 2.416 . 0 0 "[ . 1 ]" 1
344 1 15 A H2' 1 15 A H4' 3.813 3.713 3.913 3.805 3.800 3.808 . 0 0 "[ . 1 ]" 1
345 1 15 A H2' 1 15 A HO2' 2.946 2.846 3.046 2.861 2.858 2.862 . 0 0 "[ . 1 ]" 1
346 1 15 A H2' 1 15 A H8 4.125 4.025 4.225 4.052 4.041 4.065 . 0 0 "[ . 1 ]" 1
347 1 15 A H2 1 15 A H2' 4.663 4.563 4.763 4.767 4.750 4.776 0.013 9 0 "[ . 1 ]" 1
348 1 15 A H2' 1 16 G H1' 4.192 4.092 4.292 4.277 4.268 4.283 . 0 0 "[ . 1 ]" 1
349 1 15 A H2' 1 16 G H3' 4.263 4.163 4.363 4.260 4.243 4.288 . 0 0 "[ . 1 ]" 1
350 1 15 A H2' 1 16 G H4' 4.442 4.342 4.542 4.384 4.372 4.403 . 0 0 "[ . 1 ]" 1
351 1 15 A H2' 1 16 G H5' 2.891 2.791 2.991 2.805 2.789 2.832 0.002 9 0 "[ . 1 ]" 1
352 1 15 A H2' 1 16 G H5'' 4.268 4.168 4.368 4.187 4.180 4.196 . 0 0 "[ . 1 ]" 1
353 1 15 A H2' 1 16 G H8 1.674 . 1.774 1.843 1.831 1.852 0.078 9 0 "[ . 1 ]" 1
354 1 15 A H3' 1 15 A H4' 3.007 2.907 3.107 3.009 3.008 3.010 . 0 0 "[ . 1 ]" 1
355 1 15 A H3' 1 15 A H5' 3.686 3.586 3.786 3.717 3.714 3.721 . 0 0 "[ . 1 ]" 1
356 1 15 A H3' 1 15 A H5'' 3.085 2.985 3.185 3.004 2.997 3.012 . 0 0 "[ . 1 ]" 1
357 1 15 A H3' 1 15 A HO2' 3.596 3.496 3.696 3.573 3.544 3.600 . 0 0 "[ . 1 ]" 1
358 1 15 A H3' 1 15 A H8 3.163 3.063 3.263 3.044 3.036 3.051 0.027 9 0 "[ . 1 ]" 1
359 1 15 A H3' 1 16 G H5' 3.959 3.859 4.059 4.014 3.986 4.045 . 0 0 "[ . 1 ]" 1
360 1 15 A H3' 1 16 G H5'' 4.908 4.808 5.008 4.945 4.934 4.962 . 0 0 "[ . 1 ]" 1
361 1 15 A H3' 1 16 G H8 3.024 2.924 3.124 3.135 3.130 3.141 0.017 7 0 "[ . 1 ]" 1
362 1 15 A H4' 1 15 A H5' 2.534 2.434 2.634 2.472 2.465 2.478 . 0 0 "[ . 1 ]" 1
363 1 15 A H4' 1 15 A H5'' 2.370 2.270 2.470 2.381 2.377 2.386 . 0 0 "[ . 1 ]" 1
364 1 15 A H4' 1 15 A HO2' 2.043 . 2.143 2.109 2.083 2.140 . 0 0 "[ . 1 ]" 1
365 1 15 A H4' 1 15 A H8 4.363 4.263 4.463 4.316 4.312 4.320 . 0 0 "[ . 1 ]" 1
366 1 15 A H4' 1 16 G H5' 4.168 4.068 4.268 4.276 4.267 4.282 0.014 6 0 "[ . 1 ]" 1
367 1 15 A H5' 1 15 A H5'' 1.776 . 1.876 1.773 1.772 1.774 . 0 0 "[ . 1 ]" 1
368 1 15 A H5' 1 15 A HO2' 4.410 4.310 4.510 4.421 4.409 4.432 . 0 0 "[ . 1 ]" 1
369 1 15 A H5' 1 15 A H8 3.522 3.422 3.622 3.607 3.592 3.628 0.006 11 0 "[ . 1 ]" 1
370 1 15 A H5'' 1 15 A HO2' 4.309 4.209 4.409 4.350 4.312 4.387 . 0 0 "[ . 1 ]" 1
371 1 15 A H5'' 1 15 A H8 4.325 4.225 4.425 4.205 4.201 4.210 0.024 5 0 "[ . 1 ]" 1
372 1 15 A HO2' 1 16 G H5' 2.942 2.842 3.042 2.928 2.892 2.966 . 0 0 "[ . 1 ]" 1
373 1 15 A HO2' 1 16 G H5'' 4.602 4.502 4.702 4.567 4.524 4.615 . 0 0 "[ . 1 ]" 1
374 1 15 A HO2' 1 16 G H8 4.547 4.447 4.647 4.639 4.620 4.648 0.001 9 0 "[ . 1 ]" 1
375 1 15 A H61 1 15 A H62 1.784 . 1.884 1.755 1.754 1.756 . 0 0 "[ . 1 ]" 1
376 1 15 A H2 1 15 A H61 4.506 4.406 4.606 4.474 4.473 4.478 . 0 0 "[ . 1 ]" 1
377 1 15 A H61 1 16 G H1 4.505 4.405 4.605 4.370 4.360 4.381 0.045 9 0 "[ . 1 ]" 1
378 1 2 C H42 1 15 A H61 4.676 4.576 4.776 4.512 4.505 4.521 0.071 9 0 "[ . 1 ]" 1
379 1 4 C H41 1 15 A H61 3.827 3.727 3.927 3.839 3.786 3.882 . 0 0 "[ . 1 ]" 1
380 1 3 U H3 1 15 A H61 2.396 2.296 2.496 2.505 2.503 2.508 0.012 9 0 "[ . 1 ]" 1
381 1 3 U H5 1 15 A H61 4.489 4.389 4.589 4.493 4.464 4.526 . 0 0 "[ . 1 ]" 1
382 1 15 A H62 1 15 A H8 4.854 4.754 4.954 4.848 4.843 4.854 . 0 0 "[ . 1 ]" 1
383 1 4 C H41 1 15 A H62 4.579 4.479 4.679 4.362 4.345 4.377 0.134 9 0 "[ . 1 ]" 1
384 1 3 U H3 1 15 A H62 3.959 3.859 4.059 4.084 4.082 4.089 0.030 9 0 "[ . 1 ]" 1
385 1 15 A H8 1 16 G H8 4.786 4.686 4.886 4.776 4.729 4.834 . 0 0 "[ . 1 ]" 1
386 1 15 A H2 1 16 G H1' 3.831 3.731 3.931 3.904 3.882 3.931 . 0 0 "[ . 1 ]" 1
387 1 15 A H2 1 16 G H8 4.645 4.545 4.745 4.792 4.788 4.797 0.052 2 0 "[ . 1 ]" 1
388 1 3 U H3 1 15 A H2 2.931 2.831 3.031 2.998 2.995 3.002 . 0 0 "[ . 1 ]" 1
389 1 16 G H1' 1 16 G H2' 2.805 2.705 2.905 2.805 2.801 2.809 . 0 0 "[ . 1 ]" 1
390 1 16 G H1' 1 16 G H3' 3.857 3.757 3.957 3.853 3.850 3.857 . 0 0 "[ . 1 ]" 1
391 1 16 G H1' 1 16 G H4' 3.398 3.298 3.498 3.354 3.336 3.377 . 0 0 "[ . 1 ]" 1
392 1 16 G H1' 1 16 G H5' 4.577 4.477 4.677 4.570 4.560 4.583 . 0 0 "[ . 1 ]" 1
393 1 16 G H1' 1 16 G HO2' 2.565 2.465 2.665 2.477 2.462 2.527 0.003 11 0 "[ . 1 ]" 1
394 1 16 G H1' 1 16 G H22 4.774 4.674 4.874 4.720 4.710 4.726 . 0 0 "[ . 1 ]" 1
395 1 16 G H1' 1 16 G H8 3.727 3.627 3.827 3.690 3.687 3.692 . 0 0 "[ . 1 ]" 1
396 1 16 G H1' 1 17 G H5' 4.677 4.577 4.777 4.615 4.601 4.626 . 0 0 "[ . 1 ]" 1
397 1 16 G H1' 1 17 G H8 4.319 4.219 4.419 4.450 4.448 4.454 0.035 11 0 "[ . 1 ]" 1
398 1 16 G H2' 1 16 G H3' 2.425 2.325 2.525 2.413 2.412 2.414 . 0 0 "[ . 1 ]" 1
399 1 16 G H2' 1 16 G H4' 3.813 3.713 3.913 3.794 3.787 3.803 . 0 0 "[ . 1 ]" 1
400 1 16 G H2' 1 16 G HO2' 2.947 2.847 3.047 2.861 2.860 2.863 . 0 0 "[ . 1 ]" 1
401 1 16 G H2' 1 16 G H22 4.701 4.601 4.801 4.769 4.754 4.778 . 0 0 "[ . 1 ]" 1
402 1 16 G H2' 1 16 G H8 4.149 4.049 4.249 4.041 4.037 4.046 0.012 9 0 "[ . 1 ]" 1
403 1 16 G H2' 1 17 G H1' 4.192 4.092 4.292 4.208 4.201 4.218 . 0 0 "[ . 1 ]" 1
404 1 16 G H2' 1 17 G H3' 4.263 4.163 4.363 4.234 4.226 4.239 . 0 0 "[ . 1 ]" 1
405 1 16 G H2' 1 17 G H4' 4.442 4.342 4.542 4.338 4.334 4.343 0.008 10 0 "[ . 1 ]" 1
406 1 16 G H2' 1 17 G H5' 2.891 2.791 2.991 2.847 2.834 2.857 . 0 0 "[ . 1 ]" 1
407 1 16 G H2' 1 17 G H5'' 4.268 4.168 4.368 4.192 4.188 4.198 . 0 0 "[ . 1 ]" 1
408 1 16 G H2' 1 17 G H8 1.673 . 1.773 1.839 1.835 1.841 0.068 1 0 "[ . 1 ]" 1
409 1 16 G H3' 1 16 G H4' 3.008 2.908 3.108 3.013 3.011 3.015 . 0 0 "[ . 1 ]" 1
410 1 16 G H3' 1 16 G H5' 3.687 3.587 3.787 3.699 3.696 3.703 . 0 0 "[ . 1 ]" 1
411 1 16 G H3' 1 16 G H5'' 3.086 2.986 3.186 3.090 3.059 3.112 . 0 0 "[ . 1 ]" 1
412 1 16 G H3' 1 16 G HO2' 3.597 3.497 3.697 3.581 3.557 3.593 . 0 0 "[ . 1 ]" 1
413 1 16 G H3' 1 16 G H8 3.196 3.096 3.296 3.084 3.080 3.087 0.016 6 0 "[ . 1 ]" 1
414 1 16 G H3' 1 17 G H5' 3.959 3.859 4.059 4.042 4.024 4.053 . 0 0 "[ . 1 ]" 1
415 1 16 G H3' 1 17 G H5'' 4.908 4.808 5.008 4.974 4.969 4.979 . 0 0 "[ . 1 ]" 1
416 1 16 G H3' 1 17 G H8 3.023 2.923 3.123 3.138 3.124 3.146 0.023 3 0 "[ . 1 ]" 1
417 1 16 G H4' 1 16 G H5' 2.534 2.434 2.634 2.511 2.504 2.519 . 0 0 "[ . 1 ]" 1
418 1 16 G H4' 1 16 G H5'' 2.370 2.270 2.470 2.348 2.343 2.355 . 0 0 "[ . 1 ]" 1
419 1 16 G H4' 1 16 G HO2' 2.044 . 2.144 2.099 2.069 2.131 . 0 0 "[ . 1 ]" 1
420 1 16 G H4' 1 16 G H8 4.409 4.309 4.509 4.335 4.317 4.348 . 0 0 "[ . 1 ]" 1
421 1 16 G H4' 1 17 G H5' 4.167 4.067 4.267 4.261 4.238 4.273 0.006 11 0 "[ . 1 ]" 1
422 1 16 G H5' 1 16 G H5'' 1.776 . 1.876 1.775 1.774 1.775 . 0 0 "[ . 1 ]" 1
423 1 16 G H5' 1 16 G HO2' 4.410 4.310 4.510 4.442 4.430 4.456 . 0 0 "[ . 1 ]" 1
424 1 16 G H5' 1 16 G H8 3.564 3.464 3.664 3.587 3.560 3.605 . 0 0 "[ . 1 ]" 1
425 1 16 G H5'' 1 16 G HO2' 4.310 4.210 4.410 4.329 4.291 4.363 . 0 0 "[ . 1 ]" 1
426 1 16 G H5'' 1 16 G H8 4.368 4.268 4.468 4.340 4.285 4.382 . 0 0 "[ . 1 ]" 1
427 1 16 G HO2' 1 17 G H5' 2.941 2.841 3.041 2.918 2.895 2.931 . 0 0 "[ . 1 ]" 1
428 1 16 G HO2' 1 17 G H5'' 4.602 4.502 4.702 4.585 4.554 4.598 . 0 0 "[ . 1 ]" 1
429 1 16 G HO2' 1 17 G H8 4.547 4.447 4.647 4.645 4.637 4.649 0.002 8 0 "[ . 1 ]" 1
430 1 16 G H21 1 16 G H22 1.784 . 1.884 1.757 1.755 1.758 . 0 0 "[ . 1 ]" 1
431 1 16 G H1 1 16 G H22 3.479 3.379 3.579 3.453 3.450 3.454 . 0 0 "[ . 1 ]" 1
432 1 16 G H22 1 17 G H1' 3.255 3.155 3.355 3.229 3.209 3.239 . 0 0 "[ . 1 ]" 1
433 1 16 G H22 1 17 G H8 4.875 4.775 4.975 4.996 4.990 5.000 0.025 10 0 "[ . 1 ]" 1
434 1 3 U H1' 1 16 G H22 4.494 4.394 4.594 4.321 4.299 4.332 0.095 11 0 "[ . 1 ]" 1
435 1 16 G H1 1 16 G H21 2.169 2.069 2.269 2.195 2.190 2.201 . 0 0 "[ . 1 ]" 1
436 1 16 G H21 1 17 G H1' 4.205 4.105 4.305 4.077 4.074 4.080 0.031 10 0 "[ . 1 ]" 1
437 1 16 G H21 1 17 G H22 4.772 4.672 4.872 4.661 4.654 4.666 0.018 7 0 "[ . 1 ]" 1
438 1 16 G H21 1 17 G H1 4.790 4.690 4.890 4.889 4.883 4.893 0.003 10 0 "[ . 1 ]" 1
439 1 2 C H1' 1 16 G H21 4.316 4.216 4.416 4.439 4.433 4.445 0.029 7 0 "[ . 1 ]" 1
440 1 2 C H2' 1 16 G H21 4.666 4.566 4.766 4.744 4.731 4.757 . 0 0 "[ . 1 ]" 1
441 1 2 C H41 1 16 G H21 4.566 4.466 4.666 4.639 4.624 4.650 . 0 0 "[ . 1 ]" 1
442 1 16 G H8 1 17 G H8 4.797 4.697 4.897 4.743 4.730 4.757 . 0 0 "[ . 1 ]" 1
443 1 16 G H1 1 17 G H1 4.082 3.982 4.182 3.998 3.993 4.007 . 0 0 "[ . 1 ]" 1
444 1 1 C H41 1 16 G H1 4.747 4.647 4.847 4.774 4.767 4.782 . 0 0 "[ . 1 ]" 1
445 1 2 C H42 1 16 G H1 4.023 3.923 4.123 4.082 4.060 4.093 . 0 0 "[ . 1 ]" 1
446 1 2 C H41 1 16 G H1 2.478 2.378 2.578 2.531 2.509 2.545 . 0 0 "[ . 1 ]" 1
447 1 17 G H1' 1 17 G H2' 2.805 2.705 2.905 2.819 2.817 2.821 . 0 0 "[ . 1 ]" 1
448 1 17 G H1' 1 17 G H3' 3.857 3.757 3.957 3.860 3.858 3.861 . 0 0 "[ . 1 ]" 1
449 1 17 G H1' 1 17 G H4' 3.397 3.297 3.497 3.314 3.309 3.319 . 0 0 "[ . 1 ]" 1
450 1 17 G H1' 1 17 G H5' 4.577 4.477 4.677 4.567 4.561 4.571 . 0 0 "[ . 1 ]" 1
451 1 17 G H1' 1 17 G HO2' 2.565 2.465 2.665 2.483 2.464 2.542 0.001 7 0 "[ . 1 ]" 1
452 1 17 G H1' 1 17 G H22 4.775 4.675 4.875 4.717 4.714 4.723 . 0 0 "[ . 1 ]" 1
453 1 17 G H1' 1 17 G H8 3.727 3.627 3.827 3.697 3.696 3.699 . 0 0 "[ . 1 ]" 1
454 1 17 G H2' 1 17 G H3' 2.425 2.325 2.525 2.409 2.408 2.411 . 0 0 "[ . 1 ]" 1
455 1 17 G H2' 1 17 G H4' 3.813 3.713 3.913 3.800 3.798 3.802 . 0 0 "[ . 1 ]" 1
456 1 17 G H2' 1 17 G HO2' 2.947 2.847 3.047 2.862 2.859 2.864 . 0 0 "[ . 1 ]" 1
457 1 17 G H2' 1 17 G H22 4.701 4.601 4.801 4.823 4.819 4.828 0.027 7 0 "[ . 1 ]" 1
458 1 17 G H2' 1 17 G H8 4.150 4.050 4.250 4.015 4.014 4.016 0.036 10 0 "[ . 1 ]" 1
459 1 17 G H3' 1 17 G H4' 3.007 2.907 3.107 3.011 3.010 3.012 . 0 0 "[ . 1 ]" 1
460 1 17 G H3' 1 17 G H5' 3.687 3.587 3.787 3.704 3.701 3.706 . 0 0 "[ . 1 ]" 1
461 1 17 G H3' 1 17 G H5'' 3.085 2.985 3.185 3.054 3.047 3.066 . 0 0 "[ . 1 ]" 1
462 1 17 G H3' 1 17 G HO2' 3.596 3.496 3.696 3.566 3.537 3.575 . 0 0 "[ . 1 ]" 1
463 1 17 G H3' 1 17 G H8 3.196 3.096 3.296 3.115 3.108 3.123 . 0 0 "[ . 1 ]" 1
464 1 17 G H4' 1 17 G H5' 2.534 2.434 2.634 2.494 2.489 2.499 . 0 0 "[ . 1 ]" 1
465 1 17 G H4' 1 17 G H5'' 2.370 2.270 2.470 2.363 2.359 2.365 . 0 0 "[ . 1 ]" 1
466 1 17 G H4' 1 17 G HO2' 2.043 . 2.143 2.107 2.085 2.117 . 0 0 "[ . 1 ]" 1
467 1 17 G H4' 1 17 G H8 4.410 4.310 4.510 4.363 4.357 4.370 . 0 0 "[ . 1 ]" 1
468 1 17 G H5' 1 17 G H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1
469 1 17 G H5' 1 17 G HO2' 4.409 4.309 4.509 4.457 4.452 4.461 . 0 0 "[ . 1 ]" 1
470 1 17 G H5' 1 17 G H8 3.564 3.464 3.664 3.674 3.669 3.678 0.014 8 0 "[ . 1 ]" 1
471 1 17 G H5'' 1 17 G HO2' 4.309 4.209 4.409 4.329 4.295 4.342 . 0 0 "[ . 1 ]" 1
472 1 17 G H5'' 1 17 G H8 4.368 4.268 4.468 4.381 4.366 4.400 . 0 0 "[ . 1 ]" 1
473 1 17 G H21 1 17 G H22 1.784 . 1.884 1.753 1.752 1.755 . 0 0 "[ . 1 ]" 1
474 1 17 G H1 1 17 G H22 3.479 3.379 3.579 3.464 3.463 3.466 . 0 0 "[ . 1 ]" 1
475 1 2 C H1' 1 17 G H22 4.493 4.393 4.593 4.360 4.354 4.366 0.039 9 0 "[ . 1 ]" 1
476 1 17 G H1 1 17 G H21 2.168 2.068 2.268 2.204 2.203 2.206 . 0 0 "[ . 1 ]" 1
477 1 1 C H1' 1 17 G H21 4.317 4.217 4.417 4.419 4.417 4.421 0.004 7 0 "[ . 1 ]" 1
478 1 1 C H2' 1 17 G H21 4.667 4.567 4.767 4.628 4.619 4.637 . 0 0 "[ . 1 ]" 1
479 1 1 C H41 1 17 G H21 4.566 4.466 4.666 4.659 4.644 4.669 0.003 11 0 "[ . 1 ]" 1
480 1 2 C H1' 1 17 G H21 4.373 4.273 4.473 4.285 4.280 4.289 . 0 0 "[ . 1 ]" 1
481 1 2 C H6 1 17 G H21 4.961 4.861 5.061 4.986 4.979 5.000 . 0 0 "[ . 1 ]" 1
482 1 1 C H42 1 17 G H1 4.023 3.923 4.123 4.097 4.086 4.105 . 0 0 "[ . 1 ]" 1
483 1 1 C H41 1 17 G H1 2.478 2.378 2.578 2.552 2.538 2.561 . 0 0 "[ . 1 ]" 1
484 1 2 C H42 1 17 G H1 4.085 3.985 4.185 4.079 4.073 4.087 . 0 0 "[ . 1 ]" 1
485 1 2 C H41 1 17 G H1 3.888 3.788 3.988 3.788 3.785 3.795 0.003 9 0 "[ . 1 ]" 1
486 1 2 C H5 1 17 G H1 4.398 4.298 4.498 4.522 4.518 4.530 0.032 7 0 "[ . 1 ]" 1
487 1 5 C H1' 1 6 C H2' 7.030 5.630 8.430 7.529 7.062 7.963 . 0 0 "[ . 1 ]" 1
488 1 5 C H1' 1 6 C H6 5.280 4.280 6.280 5.312 5.140 5.475 . 0 0 "[ . 1 ]" 1
489 1 5 C H5 1 6 C H6 6.410 5.110 7.710 6.242 5.774 7.182 . 0 0 "[ . 1 ]" 1
490 1 6 C H5 1 6 C H6 2.440 . 2.940 2.440 2.439 2.440 . 0 0 "[ . 1 ]" 1
491 1 6 C H2' 1 6 C H6 3.640 2.940 4.340 3.842 3.724 3.907 . 0 0 "[ . 1 ]" 1
492 1 6 C H2' 1 6 C H5 5.190 4.190 6.190 5.332 5.250 5.383 . 0 0 "[ . 1 ]" 1
493 1 6 C H1' 1 6 C H6 3.630 2.930 4.330 3.573 3.555 3.611 . 0 0 "[ . 1 ]" 1
494 1 6 C H3' 1 6 C H6 2.400 . 2.900 2.701 2.527 2.787 . 0 0 "[ . 1 ]" 1
495 1 5 C H5 1 6 C H5 5.440 4.440 6.440 5.838 5.285 6.416 . 0 0 "[ . 1 ]" 1
496 1 5 C H2' 1 6 C H6 2.480 . 2.980 2.532 2.337 2.719 . 0 0 "[ . 1 ]" 1
497 1 5 C H3' 1 6 C H6 3.410 2.710 4.110 3.179 2.708 3.912 0.002 11 0 "[ . 1 ]" 1
498 1 6 C H6 1 7 U H5 3.080 2.480 3.680 3.468 3.002 3.688 0.008 2 0 "[ . 1 ]" 1
499 1 5 C H2' 1 6 C H5 3.950 3.150 4.750 4.314 3.783 4.713 . 0 0 "[ . 1 ]" 1
500 1 5 C H4' 1 6 C H6 5.640 4.540 6.740 5.525 5.367 5.710 . 0 0 "[ . 1 ]" 1
501 1 6 C H1' 1 6 C H2' 2.440 . 2.940 2.777 2.773 2.781 . 0 0 "[ . 1 ]" 1
502 1 7 U H5 1 7 U H6 2.440 . 2.940 2.407 2.406 2.408 . 0 0 "[ . 1 ]" 1
503 1 7 U H1' 1 7 U H2' 2.440 . 2.940 2.781 2.778 2.791 . 0 0 "[ . 1 ]" 1
504 1 7 U H2' 1 7 U H6 3.860 3.060 4.660 3.785 3.655 3.877 . 0 0 "[ . 1 ]" 1
505 1 7 U H1' 1 7 U H6 3.570 2.870 4.270 3.591 3.562 3.630 . 0 0 "[ . 1 ]" 1
506 1 7 U H3' 1 7 U H6 2.750 2.250 3.250 2.631 2.447 2.766 . 0 0 "[ . 1 ]" 1
507 1 6 C H1' 1 7 U H6 5.100 4.100 6.100 5.038 4.968 5.097 . 0 0 "[ . 1 ]" 1
508 1 6 C H2' 1 7 U H6 2.350 . 2.850 2.335 2.325 2.348 . 0 0 "[ . 1 ]" 1
509 1 6 C H2' 1 7 U H5 2.970 2.370 3.570 3.321 2.936 3.562 . 0 0 "[ . 1 ]" 1
510 1 6 C H3' 1 7 U H5 2.460 . 2.960 2.612 2.386 2.939 . 0 0 "[ . 1 ]" 1
511 1 7 U H4' 1 7 U H6 3.850 3.050 4.650 3.850 3.829 3.888 . 0 0 "[ . 1 ]" 1
512 1 7 U H3' 1 7 U H5 4.510 3.610 5.410 4.445 4.335 4.519 . 0 0 "[ . 1 ]" 1
513 1 8 CM0 H2' 1 8 CM0 H6 3.990 3.190 4.790 4.097 3.905 4.254 . 0 0 "[ . 1 ]" 1
514 1 8 CM0 H3' 1 8 CM0 H6 3.230 2.630 3.830 3.174 2.854 3.407 . 0 0 "[ . 1 ]" 1
515 1 8 CM0 H1' 1 8 CM0 H6 3.470 2.770 4.170 3.455 3.375 3.543 . 0 0 "[ . 1 ]" 1
516 1 8 CM0 H6 1 9 A H3' 6.410 5.110 7.710 6.502 6.177 6.809 . 0 0 "[ . 1 ]" 1
517 1 8 CM0 H6 1 9 A H4' 5.500 4.400 6.600 6.132 5.649 6.602 0.002 3 0 "[ . 1 ]" 1
518 1 8 CM0 H1' 1 8 CM0 H2' 2.440 . 2.940 2.784 2.765 2.809 . 0 0 "[ . 1 ]" 1
519 1 9 A H1' 1 9 A H2' 2.440 . 2.940 2.781 2.768 2.788 . 0 0 "[ . 1 ]" 1
520 1 9 A H2' 1 9 A H8 4.360 3.460 5.260 4.295 4.226 4.435 . 0 0 "[ . 1 ]" 1
521 1 9 A H1' 1 9 A H8 3.460 2.760 4.160 3.588 3.504 3.629 . 0 0 "[ . 1 ]" 1
522 1 9 A H3' 1 9 A H8 4.170 3.370 4.970 3.453 3.358 3.695 0.012 5 0 "[ . 1 ]" 1
523 1 9 A H4' 1 9 A H8 4.640 3.740 5.540 4.306 4.284 4.342 . 0 0 "[ . 1 ]" 1
524 1 9 A H1' 1 9 A H4' 3.150 2.550 3.750 3.519 3.487 3.585 . 0 0 "[ . 1 ]" 1
525 1 9 A H2 1 11 6MZ H1' 5.530 4.430 6.630 6.138 5.733 6.503 . 0 0 "[ . 1 ]" 1
526 1 7 U H1' 1 9 A H8 4.490 3.590 5.390 4.486 3.987 5.176 . 0 0 "[ . 1 ]" 1
527 1 9 A H2 1 10 C H1' 4.910 3.910 5.910 5.435 4.906 5.836 . 0 0 "[ . 1 ]" 1
528 1 8 CM0 H1' 1 9 A H8 5.640 4.540 6.740 5.811 5.377 6.329 . 0 0 "[ . 1 ]" 1
529 1 8 CM0 H6 1 9 A H8 2.960 2.360 3.560 3.348 2.829 3.582 0.022 11 0 "[ . 1 ]" 1
530 1 8 CM0 H2' 1 9 A H8 4.640 3.640 5.640 4.641 4.158 5.181 . 0 0 "[ . 1 ]" 1
531 1 8 CM0 H3' 1 9 A H8 2.700 2.200 3.200 2.713 2.329 3.115 . 0 0 "[ . 1 ]" 1
532 1 10 C H1' 1 10 C H2' 2.440 . 2.940 2.779 2.774 2.782 . 0 0 "[ . 1 ]" 1
533 1 10 C H5 1 10 C H6 2.440 . 2.940 2.440 2.438 2.441 . 0 0 "[ . 1 ]" 1
534 1 10 C H2' 1 10 C H6 3.680 2.980 4.380 3.738 3.619 3.852 . 0 0 "[ . 1 ]" 1
535 1 10 C H1' 1 10 C H6 3.620 2.920 4.320 3.604 3.573 3.638 . 0 0 "[ . 1 ]" 1
536 1 10 C H3' 1 10 C H6 2.520 2.020 3.020 2.548 2.367 2.721 . 0 0 "[ . 1 ]" 1
537 1 10 C H4' 1 10 C H6 3.910 3.110 4.710 3.839 3.816 3.875 . 0 0 "[ . 1 ]" 1
538 1 9 A H2' 1 10 C H6 2.850 2.250 3.450 2.373 2.319 2.494 . 0 0 "[ . 1 ]" 1
539 1 9 A H3' 1 10 C H6 3.740 3.040 4.440 3.951 3.666 4.091 . 0 0 "[ . 1 ]" 1
540 1 7 U H1' 1 10 C H6 7.010 5.610 8.410 7.023 5.652 8.231 . 0 0 "[ . 1 ]" 1
541 1 10 C H6 1 11 6MZ H1' 5.480 4.480 6.480 5.710 5.365 5.934 . 0 0 "[ . 1 ]" 1
542 1 10 C H6 1 11 6MZ H4' 6.690 5.390 7.990 6.523 6.150 6.840 . 0 0 "[ . 1 ]" 1
543 1 9 A H2' 1 10 C H5 2.420 . 2.920 2.436 2.320 2.689 . 0 0 "[ . 1 ]" 1
544 1 9 A H4' 1 10 C H6 5.710 4.610 6.810 5.527 5.348 5.700 . 0 0 "[ . 1 ]" 1
545 1 9 A H8 1 10 C H5 5.320 4.320 6.320 5.292 4.787 5.950 . 0 0 "[ . 1 ]" 1
546 1 10 C H5 1 11 6MZ H8 3.650 2.950 4.350 3.601 3.093 4.271 . 0 0 "[ . 1 ]" 1
547 1 11 6MZ H1' 1 11 6MZ H8 3.520 2.820 4.220 3.475 3.418 3.540 . 0 0 "[ . 1 ]" 1
548 1 11 6MZ H3' 1 11 6MZ H8 3.610 2.910 4.310 3.685 3.475 3.833 . 0 0 "[ . 1 ]" 1
549 1 11 6MZ H2' 1 11 6MZ H8 4.410 3.510 5.310 4.482 4.385 4.554 . 0 0 "[ . 1 ]" 1
550 1 11 6MZ H4' 1 11 6MZ H8 4.310 3.410 5.210 4.324 4.262 4.369 . 0 0 "[ . 1 ]" 1
551 1 11 6MZ H1' 1 11 6MZ H4' 3.590 2.890 4.290 3.624 3.559 3.672 . 0 0 "[ . 1 ]" 1
552 1 11 6MZ H1' 1 11 6MZ H3' 3.870 3.070 4.670 3.846 3.826 3.861 . 0 0 "[ . 1 ]" 1
553 1 11 6MZ H1' 1 11 6MZ H2' 2.440 . 2.940 2.751 2.742 2.759 . 0 0 "[ . 1 ]" 1
554 1 11 6MZ H2 1 12 A H1' 4.050 3.250 4.850 4.710 3.789 4.872 0.022 8 0 "[ . 1 ]" 1
555 1 12 A H1' 1 12 A H8 3.530 2.830 4.230 3.611 3.496 3.703 . 0 0 "[ . 1 ]" 1
556 1 12 A H4' 1 12 A H8 4.320 3.420 5.220 4.425 4.345 4.569 . 0 0 "[ . 1 ]" 1
557 1 12 A H2' 1 12 A H8 4.400 3.500 5.300 4.209 4.033 4.363 . 0 0 "[ . 1 ]" 1
558 1 12 A H3' 1 12 A H8 3.570 2.870 4.270 3.420 3.071 3.788 . 0 0 "[ . 1 ]" 1
559 1 12 A H2' 1 13 G H8 2.270 . 2.670 2.248 2.167 2.336 . 0 0 "[ . 1 ]" 1
560 1 12 A H3' 1 13 G H8 2.730 2.230 3.230 2.849 2.504 3.195 . 0 0 "[ . 1 ]" 1
561 1 12 A H2 1 13 G H1' 2.340 . 2.840 2.627 2.431 2.853 0.013 8 0 "[ . 1 ]" 1
562 1 12 A H1' 1 13 G H8 4.710 3.810 5.610 4.911 4.779 5.063 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 132
_Distance_constraint_stats_list.Viol_total 24.085
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0166
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 C 0.486 0.018 8 0 "[ . 1 ]"
1 2 C 0.108 0.016 9 0 "[ . 1 ]"
1 3 U 0.750 0.048 9 0 "[ . 1 ]"
1 4 C 0.702 0.029 8 0 "[ . 1 ]"
1 5 C 0.143 0.017 1 0 "[ . 1 ]"
1 13 G 0.143 0.017 1 0 "[ . 1 ]"
1 14 G 0.702 0.029 8 0 "[ . 1 ]"
1 15 A 0.750 0.048 9 0 "[ . 1 ]"
1 16 G 0.108 0.016 9 0 "[ . 1 ]"
1 17 G 0.486 0.018 8 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C N3 1 17 G N1 2.910 2.810 3.010 3.013 3.012 3.015 0.005 8 0 "[ . 1 ]" 2
2 1 1 C N4 1 17 G O6 2.710 2.610 2.810 2.825 2.822 2.828 0.018 9 0 "[ . 1 ]" 2
3 1 1 C O2 1 17 G N2 3.080 2.980 3.180 3.091 3.087 3.094 . 0 0 "[ . 1 ]" 2
4 1 1 C N3 1 17 G H1 1.890 . 1.990 2.006 2.004 2.008 0.018 8 0 "[ . 1 ]" 2
5 1 1 C H41 1 17 G O6 1.710 . 1.810 1.820 1.816 1.823 0.013 1 0 "[ . 1 ]" 2
6 1 1 C O2 1 17 G H21 2.080 . 2.180 2.089 2.085 2.091 . 0 0 "[ . 1 ]" 2
7 1 2 C N3 1 16 G N1 2.910 2.810 3.010 3.002 2.994 3.008 . 0 0 "[ . 1 ]" 2
8 1 2 C N4 1 16 G O6 2.710 2.610 2.810 2.776 2.755 2.797 . 0 0 "[ . 1 ]" 2
9 1 2 C O2 1 16 G N2 3.080 2.980 3.180 3.136 3.127 3.147 . 0 0 "[ . 1 ]" 2
10 1 2 C N3 1 16 G H1 1.890 . 1.990 2.000 1.991 2.006 0.016 9 0 "[ . 1 ]" 2
11 1 2 C H41 1 16 G O6 1.710 . 1.810 1.769 1.748 1.790 . 0 0 "[ . 1 ]" 2
12 1 2 C O2 1 16 G H21 2.080 . 2.180 2.137 2.129 2.148 . 0 0 "[ . 1 ]" 2
13 1 3 U N3 1 15 A N1 2.950 2.850 3.050 3.074 3.071 3.077 0.027 9 0 "[ . 1 ]" 2
14 1 3 U O4 1 15 A N6 2.830 2.730 2.930 2.795 2.764 2.827 . 0 0 "[ . 1 ]" 2
15 1 3 U H3 1 15 A N1 1.930 . 2.030 2.074 2.072 2.078 0.048 9 0 "[ . 1 ]" 2
16 1 3 U O4 1 15 A H61 1.820 . 1.920 1.791 1.761 1.824 . 0 0 "[ . 1 ]" 2
17 1 4 C N3 1 14 G N1 2.910 2.810 3.010 2.961 2.954 2.969 . 0 0 "[ . 1 ]" 2
18 1 4 C N4 1 14 G O6 2.710 2.610 2.810 2.836 2.832 2.839 0.029 8 0 "[ . 1 ]" 2
19 1 4 C O2 1 14 G N2 3.080 2.980 3.180 2.974 2.963 2.991 0.017 9 0 "[ . 1 ]" 2
20 1 4 C N3 1 14 G H1 1.890 . 1.990 1.955 1.949 1.963 . 0 0 "[ . 1 ]" 2
21 1 4 C H41 1 14 G O6 1.710 . 1.810 1.834 1.829 1.838 0.028 8 0 "[ . 1 ]" 2
22 1 4 C O2 1 14 G H21 2.080 . 2.180 1.975 1.964 1.993 0.016 9 0 "[ . 1 ]" 2
23 1 5 C N3 1 13 G N1 2.910 2.810 3.010 3.010 3.003 3.015 0.005 5 0 "[ . 1 ]" 2
24 1 5 C N4 1 13 G O6 2.710 2.610 2.810 2.767 2.743 2.806 . 0 0 "[ . 1 ]" 2
25 1 5 C O2 1 13 G N2 3.080 2.980 3.180 3.123 3.100 3.135 . 0 0 "[ . 1 ]" 2
26 1 5 C N3 1 13 G H1 1.890 . 1.990 2.002 1.996 2.007 0.017 1 0 "[ . 1 ]" 2
27 1 5 C H41 1 13 G O6 1.710 . 1.810 1.764 1.740 1.802 . 0 0 "[ . 1 ]" 2
28 1 5 C O2 1 13 G H21 2.080 . 2.180 2.117 2.097 2.125 . 0 0 "[ . 1 ]" 2
stop_
save_
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