NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369884 |
1biv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1biv
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 903
_Distance_constraint_stats_list.Viol_count 603
_Distance_constraint_stats_list.Viol_total 489.420
_Distance_constraint_stats_list.Viol_max 1.370
_Distance_constraint_stats_list.Viol_rms 0.0776
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0217
_Distance_constraint_stats_list.Viol_average_violations_only 0.1623
_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 G 0.404 0.179 1 0 "[ .]"
1 2 G 0.484 0.179 1 0 "[ .]"
1 3 C 0.434 0.087 3 0 "[ .]"
1 4 U 1.056 0.435 1 0 "[ .]"
1 5 C 1.637 0.204 5 0 "[ .]"
1 6 G 1.020 0.243 3 0 "[ .]"
1 7 U 2.109 0.199 4 0 "[ .]"
1 8 G 3.292 0.429 3 0 "[ .]"
1 9 U 0.202 0.052 3 0 "[ .]"
1 10 A 5.683 0.429 3 0 "[ .]"
1 11 G 4.384 0.377 5 0 "[ .]"
1 12 C 1.864 0.310 3 0 "[ .]"
1 13 U 3.559 0.441 3 0 "[ .]"
1 14 C 7.571 0.569 1 1 "[+ .]"
1 15 A 10.151 1.370 1 5 [+**-*]
1 16 U 8.371 0.736 3 5 [-*+**]
1 17 U 2.180 0.307 4 0 "[ .]"
1 18 A 10.386 0.765 3 4 "[ -+**]"
1 19 G 5.074 0.363 4 0 "[ .]"
1 20 C 5.180 0.336 5 0 "[ .]"
1 21 U 0.900 0.178 5 0 "[ .]"
1 22 C 4.538 0.389 3 0 "[ .]"
1 23 C 4.406 0.398 2 0 "[ .]"
1 24 G 2.267 0.435 1 0 "[ .]"
1 25 A 1.606 0.240 3 0 "[ .]"
1 26 G 0.930 0.219 3 0 "[ .]"
1 27 C 1.111 0.198 1 0 "[ .]"
1 28 C 1.708 0.243 2 0 "[ .]"
2 2 GLY 0.000 0.000 . 0 "[ .]"
2 3 PRO 4.375 1.370 1 2 "[+ *.]"
2 4 ARG 7.589 0.655 5 1 "[ +]"
2 5 PRO 1.645 0.294 4 0 "[ .]"
2 6 ARG 3.821 0.413 3 0 "[ .]"
2 7 GLY 2.303 0.540 2 1 "[ + .]"
2 8 THR 13.978 0.659 2 4 "[*+* *]"
2 9 ARG 6.508 0.532 4 1 "[ +.]"
2 10 GLY 0.870 0.241 5 0 "[ .]"
2 11 LYS 1.148 0.246 5 0 "[ .]"
2 12 GLY 0.497 0.122 4 0 "[ .]"
2 13 ARG 5.021 0.545 1 2 "[+ -.]"
2 14 ARG 8.696 0.659 2 4 "[*+* *]"
2 15 ILE 7.715 0.589 3 2 "[ +-.]"
2 16 ARG 2.140 0.589 3 1 "[ + .]"
2 17 ARG 3.259 0.492 4 0 "[ .]"
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 2 10 GLY H 2 13 ARG H 4.500 2.500 6.500 4.127 3.600 4.451 . 0 0 "[ .]" 1
2 2 9 ARG H 2 14 ARG HA 3.500 . 5.500 3.329 3.033 3.557 . 0 0 "[ .]" 1
3 2 10 GLY H 2 12 GLY H 4.500 2.500 6.500 4.223 3.623 4.671 . 0 0 "[ .]" 1
4 2 8 THR H 2 9 ARG H 4.500 2.500 6.500 4.395 4.351 4.499 . 0 0 "[ .]" 1
5 2 8 THR HG1 2 12 GLY HA2 4.500 3.000 5.000 3.481 2.960 3.756 0.040 4 0 "[ .]" 1
6 2 8 THR MG 2 14 ARG QD 4.500 2.500 6.500 1.930 1.841 2.113 0.659 2 4 "[*+- *]" 1
7 2 3 PRO QB 2 4 ARG H 4.000 . 6.000 3.378 2.713 3.951 . 0 0 "[ .]" 1
8 2 7 GLY HA3 2 8 THR H 4.000 3.000 5.000 2.831 2.788 2.886 0.212 1 0 "[ .]" 1
9 2 9 ARG HB2 2 9 ARG HE 4.500 3.500 6.500 4.177 3.874 4.406 . 0 0 "[ .]" 1
10 2 8 THR HG1 2 10 GLY HA3 4.500 3.500 6.500 4.900 4.272 5.261 . 0 0 "[ .]" 1
11 1 10 A H61 2 6 ARG HD3 3.500 . 5.000 2.397 2.235 2.531 . 0 0 "[ .]" 1
12 1 10 A H61 2 6 ARG HD2 3.500 . 5.000 4.066 3.799 4.235 . 0 0 "[ .]" 1
13 1 10 A H61 2 6 ARG QB . 2.500 4.060 4.028 3.937 4.138 0.078 3 0 "[ .]" 1
14 1 10 A H61 2 6 ARG QG . 2.500 4.190 3.775 3.611 3.923 . 0 0 "[ .]" 1
15 1 22 C H42 2 9 ARG QD . 2.500 3.970 2.656 2.369 3.151 0.131 3 0 "[ .]" 1
16 1 8 G H1 1 8 G H22 2.700 . 3.500 3.344 3.248 3.442 . 0 0 "[ .]" 1
17 1 8 G H1 1 21 U H3 4.500 3.500 6.500 4.462 4.260 4.631 . 0 0 "[ .]" 1
18 1 8 G H1 1 22 C H1' 4.500 3.500 6.500 5.863 5.704 5.978 . 0 0 "[ .]" 1
19 1 8 G H1 1 22 C H41 2.700 . 4.700 2.062 1.949 2.176 . 0 0 "[ .]" 1
20 1 8 G H1 1 22 C H42 2.700 . 4.700 3.573 3.481 3.739 . 0 0 "[ .]" 1
21 1 8 G H1 2 9 ARG HB2 4.500 3.500 6.500 6.650 6.507 6.725 0.225 1 0 "[ .]" 1
22 1 8 G H1 2 9 ARG HB3 4.500 3.500 6.500 5.255 4.996 5.426 . 0 0 "[ .]" 1
23 1 8 G H1 2 9 ARG QD 4.000 3.000 5.000 4.414 4.264 4.581 . 0 0 "[ .]" 1
24 1 8 G H1 2 9 ARG HE 4.000 3.000 5.000 4.903 4.668 5.126 0.126 2 0 "[ .]" 1
25 1 8 G H1 2 9 ARG QG 4.000 3.000 5.000 4.275 4.120 4.387 . 0 0 "[ .]" 1
26 1 10 A H2 1 11 G H1 4.000 3.000 5.000 4.938 4.399 5.284 0.284 4 0 "[ .]" 1
27 1 11 G H1 1 11 G H1' 4.500 3.500 6.500 6.385 6.007 6.529 0.029 2 0 "[ .]" 1
28 1 11 G H1 1 12 C H1' 4.000 3.000 5.000 5.060 4.825 5.229 0.229 1 0 "[ .]" 1
29 1 11 G H1 1 19 G H1 4.000 3.000 5.000 3.216 2.818 3.425 0.182 1 0 "[ .]" 1
30 1 11 G H1 1 20 C H41 2.700 . 4.700 2.167 1.907 2.351 . 0 0 "[ .]" 1
31 1 11 G H1 1 20 C H42 2.700 . 4.700 3.701 3.531 3.908 . 0 0 "[ .]" 1
32 1 11 G H1 1 20 C H5 4.500 3.500 6.500 5.018 4.904 5.164 . 0 0 "[ .]" 1
33 1 11 G H1 1 21 U H1' 4.000 3.000 5.000 4.877 4.628 5.178 0.178 5 0 "[ .]" 1
34 1 11 G H1 1 21 U H3 4.000 3.000 5.000 3.535 3.241 3.733 . 0 0 "[ .]" 1
35 1 11 G H1 1 21 U H5 4.500 3.500 6.500 4.100 3.485 4.928 0.015 2 0 "[ .]" 1
36 1 11 G H1 1 21 U H6 4.500 3.500 6.500 4.605 3.979 5.272 . 0 0 "[ .]" 1
37 1 11 G H1 2 6 ARG QB 4.000 3.000 5.500 4.750 4.682 4.830 . 0 0 "[ .]" 1
38 1 11 G H1 2 6 ARG HD2 4.500 3.500 6.500 6.168 6.084 6.276 . 0 0 "[ .]" 1
39 1 11 G H1 2 6 ARG HD3 4.500 3.500 6.500 4.677 4.587 4.723 . 0 0 "[ .]" 1
40 1 11 G H1 2 6 ARG QG 4.500 3.500 6.500 3.747 3.638 3.927 . 0 0 "[ .]" 1
41 1 11 G H1 2 6 ARG HE 4.500 3.500 6.500 4.317 4.223 4.434 . 0 0 "[ .]" 1
42 1 11 G H1 2 15 ILE MD 4.500 3.500 6.500 5.382 5.273 5.456 . 0 0 "[ .]" 1
43 1 13 U H3 1 18 A H2 2.700 . 3.500 2.580 2.347 2.945 . 0 0 "[ .]" 1
44 1 13 U H3 1 18 A H62 4.000 . 5.000 4.310 4.019 4.445 . 0 0 "[ .]" 1
45 1 13 U H3 1 18 A H61 4.000 . 5.000 3.038 2.785 3.308 . 0 0 "[ .]" 1
46 1 13 U H3 1 19 G H1' 4.500 2.500 6.500 4.939 4.252 5.456 . 0 0 "[ .]" 1
47 1 13 U H3 1 19 G H1 4.500 2.500 5.500 3.526 3.111 3.892 . 0 0 "[ .]" 1
48 1 18 A H8 2 4 ARG HD2 4.500 3.500 4.910 4.615 4.096 5.565 0.655 5 1 "[ +]" 1
49 1 18 A H8 2 4 ARG HD3 4.500 3.500 6.500 4.687 3.762 5.562 . 0 0 "[ .]" 1
50 1 12 C H41 1 19 G H1 2.700 . 4.700 2.225 1.987 2.551 . 0 0 "[ .]" 1
51 1 12 C H42 1 19 G H1 2.700 . 4.700 3.684 3.529 3.878 . 0 0 "[ .]" 1
52 1 12 C H5 1 19 G H1 4.000 3.000 5.000 4.950 4.724 5.178 0.178 2 0 "[ .]" 1
53 1 13 U H1' 1 19 G H1 4.500 3.500 6.500 4.972 4.373 5.932 . 0 0 "[ .]" 1
54 1 18 A H2 1 19 G H1 4.500 3.500 6.500 5.702 5.567 5.815 . 0 0 "[ .]" 1
55 1 19 G H1 1 19 G H21 2.700 . 3.500 2.375 2.223 2.475 . 0 0 "[ .]" 1
56 1 19 G H1 1 20 C H41 4.500 3.500 6.500 3.438 3.280 3.503 0.220 5 0 "[ .]" 1
57 1 19 G H1 1 20 C H42 4.500 3.500 6.500 4.352 3.791 4.683 . 0 0 "[ .]" 1
58 1 19 G H1 2 6 ARG QB 4.000 3.000 5.000 4.665 4.586 4.768 . 0 0 "[ .]" 1
59 1 19 G H1 2 6 ARG QD 4.500 3.500 6.500 5.542 5.346 5.674 . 0 0 "[ .]" 1
60 1 19 G H1 2 6 ARG QG 4.000 3.000 5.000 3.696 3.653 3.815 . 0 0 "[ .]" 1
61 1 10 A H2 1 21 U H3 2.700 . 3.500 2.877 2.644 3.024 . 0 0 "[ .]" 1
62 1 10 A H61 1 21 U H3 2.700 . 4.700 2.409 2.305 2.563 . 0 0 "[ .]" 1
63 1 10 A H62 1 21 U H3 2.700 . 4.700 3.684 3.584 3.835 . 0 0 "[ .]" 1
64 1 11 G H1' 1 21 U H3 4.500 3.500 6.500 5.674 5.384 6.196 . 0 0 "[ .]" 1
65 1 20 C H41 1 21 U H3 4.500 3.500 6.500 4.042 3.390 4.504 0.110 1 0 "[ .]" 1
66 1 21 U H1' 1 21 U H3 4.500 3.500 6.500 4.846 4.726 4.962 . 0 0 "[ .]" 1
67 1 21 U H3 1 21 U H5 4.000 3.000 5.000 4.188 4.134 4.265 . 0 0 "[ .]" 1
68 1 21 U H3 1 22 C H1' 4.000 3.000 5.000 4.054 3.886 4.289 . 0 0 "[ .]" 1
69 1 21 U H3 1 22 C H41 4.500 3.500 6.500 4.449 4.256 4.615 . 0 0 "[ .]" 1
70 1 21 U H3 1 22 C H42 4.500 3.500 6.500 4.267 4.163 4.442 . 0 0 "[ .]" 1
71 1 21 U H3 1 22 C H5 4.000 3.000 5.000 3.647 3.453 3.989 . 0 0 "[ .]" 1
72 1 21 U H3 2 6 ARG QB 4.500 3.500 6.500 5.867 5.782 5.923 . 0 0 "[ .]" 1
73 1 21 U H3 2 6 ARG HD2 4.500 3.500 6.500 6.273 6.036 6.533 0.033 5 0 "[ .]" 1
74 1 21 U H3 2 6 ARG HD3 4.500 3.500 6.500 4.611 4.425 4.829 . 0 0 "[ .]" 1
75 1 21 U H3 2 6 ARG QG 4.500 3.500 6.500 5.274 5.117 5.381 . 0 0 "[ .]" 1
76 1 21 U H3 2 15 ILE MD 4.500 3.500 6.500 5.166 5.010 5.305 . 0 0 "[ .]" 1
77 1 21 U H6 1 22 C H5 4.500 3.500 6.500 4.548 4.165 4.692 . 0 0 "[ .]" 1
78 1 22 C H6 1 23 C H6 4.500 3.500 6.500 5.266 5.087 5.481 . 0 0 "[ .]" 1
79 1 23 C H41 1 24 G H1 4.000 3.000 5.000 4.749 4.361 5.192 0.192 5 0 "[ .]" 1
80 1 24 G H1 1 24 G H21 2.700 . 3.500 2.160 1.975 2.329 . 0 0 "[ .]" 1
81 1 24 G H1 1 25 A H1' 4.000 3.000 5.000 4.932 4.653 5.240 0.240 3 0 "[ .]" 1
82 1 24 G H1 1 25 A H2 4.000 3.000 5.000 4.672 4.263 5.132 0.132 1 0 "[ .]" 1
83 1 25 A H1' 1 25 A H2 4.500 3.500 6.500 4.832 4.636 5.023 . 0 0 "[ .]" 1
84 1 25 A H2 1 26 G H1 4.500 3.500 6.500 5.368 4.584 5.775 . 0 0 "[ .]" 1
85 1 25 A H61 1 26 G H1 4.500 3.500 6.500 4.292 3.986 4.655 . 0 0 "[ .]" 1
86 1 26 G H1 1 27 C H1' 4.000 . 6.000 5.280 4.741 5.808 . 0 0 "[ .]" 1
87 1 27 C H5 1 28 C H6 4.500 3.500 6.500 5.223 4.157 6.093 . 0 0 "[ .]" 1
88 1 5 C H6 2 13 ARG HE 3.000 . 5.000 5.071 4.911 5.181 0.181 5 0 "[ .]" 1
89 1 4 U H3 1 24 G H1 4.000 3.000 5.000 5.036 4.646 5.435 0.435 1 0 "[ .]" 1
90 1 4 U H3 1 26 G H1 4.000 3.000 5.000 3.620 3.447 3.849 . 0 0 "[ .]" 1
91 1 6 G H1 1 8 G H1 4.000 3.000 5.000 4.394 3.832 5.106 0.106 2 0 "[ .]" 1
92 1 6 G H1 1 24 G H1 4.500 3.500 6.500 4.388 3.732 4.983 . 0 0 "[ .]" 1
93 1 1 G H1' 1 1 G H8 3.570 2.500 4.640 3.699 3.617 3.786 . 0 0 "[ .]" 1
94 1 1 G H8 1 2 G H8 4.210 2.950 5.470 4.970 4.421 5.541 0.071 5 0 "[ .]" 1
95 1 2 G H1' 1 2 G H8 3.250 2.280 4.220 3.672 3.413 3.806 . 0 0 "[ .]" 1
96 1 2 G H1' 1 3 C H5 4.790 3.350 6.230 5.846 5.298 6.304 0.074 5 0 "[ .]" 1
97 1 3 C H1' 1 3 C H6 3.300 2.310 4.290 3.587 3.483 3.680 . 0 0 "[ .]" 1
98 1 3 C H1' 1 3 C H5 4.510 3.160 5.860 5.402 5.329 5.486 . 0 0 "[ .]" 1
99 1 3 C H5 1 4 U H5 4.040 2.830 5.250 3.818 3.381 4.281 . 0 0 "[ .]" 1
100 1 3 C H1' 1 4 U H6 3.280 2.300 4.580 4.473 4.326 4.646 0.066 3 0 "[ .]" 1
101 1 4 U H1' 1 4 U H5 3.390 2.370 5.390 5.218 5.120 5.286 . 0 0 "[ .]" 1
102 1 4 U H1' 1 4 U H6 3.360 2.350 4.370 3.433 3.271 3.554 . 0 0 "[ .]" 1
103 1 4 U H6 1 5 C H6 3.980 2.790 5.170 5.102 4.979 5.247 0.077 3 0 "[ .]" 1
104 1 4 U H6 1 5 C H5 3.530 2.470 4.590 4.264 3.897 4.430 . 0 0 "[ .]" 1
105 1 5 C H1' 1 5 C H5 3.410 2.390 5.000 5.094 5.002 5.160 0.160 2 0 "[ .]" 1
106 1 5 C H1' 1 25 A H2 3.070 2.150 3.990 3.807 2.705 4.194 0.204 5 0 "[ .]" 1
107 1 5 C H6 1 25 A H2 4.560 3.190 5.930 3.918 3.437 4.119 . 0 0 "[ .]" 1
108 1 5 C H5 2 13 ARG HD2 2.940 2.060 3.820 2.593 2.053 3.529 0.007 5 0 "[ .]" 1
109 1 5 C H6 2 13 ARG HD3 3.920 2.740 5.100 3.908 3.385 4.277 . 0 0 "[ .]" 1
110 1 5 C H5 2 13 ARG HD3 2.710 . 3.520 2.301 2.076 2.509 . 0 0 "[ .]" 1
111 1 6 G H1' 1 6 G H8 3.110 2.180 4.040 3.770 3.631 3.974 . 0 0 "[ .]" 1
112 1 7 U H6 1 8 G H8 4.020 2.810 5.230 4.693 4.174 5.244 0.014 2 0 "[ .]" 1
113 1 7 U H1' 1 7 U H5 4.150 2.900 5.400 5.390 5.326 5.429 0.029 2 0 "[ .]" 1
114 1 8 G H3' 1 10 A H8 4.370 3.060 5.680 5.957 5.814 6.109 0.429 3 0 "[ .]" 1
115 1 7 U H5 2 6 ARG QD 3.200 2.240 4.160 3.554 3.399 3.709 . 0 0 "[ .]" 1
116 1 7 U H5 2 15 ILE HA 2.840 . 4.000 4.100 4.021 4.199 0.199 4 0 "[ .]" 1
117 1 7 U H6 2 15 ILE HB 3.740 2.620 4.860 4.704 4.614 4.847 . 0 0 "[ .]" 1
118 1 7 U H6 2 15 ILE HG13 3.180 2.230 5.000 4.684 4.614 4.832 . 0 0 "[ .]" 1
119 1 7 U H6 2 15 ILE MD 3.820 2.670 4.970 3.583 3.382 3.761 . 0 0 "[ .]" 1
120 1 7 U H5 2 15 ILE HG13 2.530 . 5.030 3.319 3.257 3.480 . 0 0 "[ .]" 1
121 1 7 U H5 2 15 ILE HB 2.360 . 4.960 3.845 3.776 3.887 . 0 0 "[ .]" 1
122 1 7 U H5 2 15 ILE MD 2.910 2.040 3.780 1.912 1.875 1.973 0.165 5 0 "[ .]" 1
123 1 7 U H6 2 15 ILE HG12 3.200 2.240 5.000 3.652 3.517 3.904 . 0 0 "[ .]" 1
124 1 10 A H2' 1 10 A H8 3.260 2.280 4.240 4.268 4.131 4.404 0.164 3 0 "[ .]" 1
125 1 10 A H1' 1 10 A H8 2.980 2.090 3.870 3.517 3.477 3.545 . 0 0 "[ .]" 1
126 1 10 A H1' 1 10 A H2' 2.590 . 3.370 2.810 2.734 2.894 . 0 0 "[ .]" 1
127 1 10 A H1' 1 10 A H2 4.560 3.190 5.930 4.881 4.715 5.052 . 0 0 "[ .]" 1
128 1 10 A H2 1 10 A H2' 4.100 2.870 5.330 4.583 4.196 4.803 . 0 0 "[ .]" 1
129 1 10 A H2' 1 11 G H1' 3.850 2.690 5.010 3.610 2.875 4.130 . 0 0 "[ .]" 1
130 1 10 A H2 1 11 G H1' 3.530 2.470 4.590 3.055 2.884 3.393 . 0 0 "[ .]" 1
131 1 10 A H1' 1 11 G H8 3.260 2.280 4.240 4.458 4.357 4.617 0.377 5 0 "[ .]" 1
132 1 10 A H2 1 11 G H8 4.200 2.940 5.460 4.465 4.047 4.920 . 0 0 "[ .]" 1
133 1 10 A H2' 1 11 G H8 2.350 . 3.050 2.017 1.943 2.108 . 0 0 "[ .]" 1
134 1 10 A H8 1 11 G H8 3.530 2.470 4.590 4.819 4.756 4.882 0.292 2 0 "[ .]" 1
135 1 10 A H2 1 11 G H2' 3.800 2.660 4.940 4.991 4.832 5.076 0.136 2 0 "[ .]" 1
136 1 10 A H2 1 22 C H1' 2.800 . 3.640 2.813 2.328 3.153 . 0 0 "[ .]" 1
137 1 10 A H2 1 22 C H2' 4.090 2.860 5.320 4.910 4.567 5.212 . 0 0 "[ .]" 1
138 1 10 A H2 1 22 C H6 4.620 3.230 6.010 4.887 4.311 5.569 . 0 0 "[ .]" 1
139 1 11 G H1' 1 11 G H8 3.170 2.220 4.120 3.542 3.373 3.706 . 0 0 "[ .]" 1
140 1 11 G H1' 1 12 C H5 4.860 3.400 6.320 6.006 5.459 6.435 0.115 5 0 "[ .]" 1
141 1 11 G H8 1 12 C H5 4.600 3.220 5.980 4.352 3.667 5.150 . 0 0 "[ .]" 1
142 1 11 G H2' 1 12 C H5 3.470 2.430 4.510 4.398 4.001 4.546 0.036 1 0 "[ .]" 1
143 1 11 G H1' 1 12 C H6 4.280 3.000 5.560 5.166 4.583 5.632 0.072 1 0 "[ .]" 1
144 1 11 G H8 1 12 C H6 5.000 3.500 6.500 5.013 4.512 5.665 . 0 0 "[ .]" 1
145 1 11 G H2' 1 12 C H6 2.810 . 3.650 2.661 2.096 3.059 . 0 0 "[ .]" 1
146 1 12 C H1' 1 12 C H6 3.780 2.650 4.910 3.551 3.459 3.661 . 0 0 "[ .]" 1
147 1 12 C H6 1 13 U H5 4.480 3.140 5.820 4.550 4.162 5.541 . 0 0 "[ .]" 1
148 1 12 C H6 1 13 U H6 5.000 3.500 6.500 5.125 4.423 5.707 . 0 0 "[ .]" 1
149 1 12 C H5 1 13 U H5 4.500 3.150 5.850 4.180 3.374 5.232 . 0 0 "[ .]" 1
150 1 13 U H5 1 14 C H5 3.200 2.240 4.160 4.545 4.479 4.601 0.441 3 0 "[ .]" 1
151 1 14 C H1' 1 14 C H5 4.570 3.200 5.940 5.322 5.210 5.528 . 0 0 "[ .]" 1
152 1 14 C H1' 1 14 C H6 3.150 2.210 4.090 3.455 3.321 3.710 . 0 0 "[ .]" 1
153 1 14 C H1' 1 15 A H8 3.760 2.630 4.890 2.896 2.687 3.178 . 0 0 "[ .]" 1
154 1 14 C H1' 1 16 U H5 3.450 2.420 5.000 5.276 5.147 5.569 0.569 1 1 "[+ .]" 1
155 1 15 A H1' 1 15 A H2 4.290 3.000 5.580 4.297 4.185 4.496 . 0 0 "[ .]" 1
156 1 15 A H1' 1 15 A H8 3.200 2.240 4.160 3.714 3.651 3.837 . 0 0 "[ .]" 1
157 1 15 A H2 1 16 U H1' 4.340 3.040 5.640 3.538 2.794 5.737 0.246 3 0 "[ .]" 1
158 1 15 A H8 1 16 U H6 4.750 3.320 6.180 4.515 4.214 5.103 . 0 0 "[ .]" 1
159 1 15 A H1' 1 16 U H6 4.250 2.980 5.520 3.447 2.899 5.277 0.081 2 0 "[ .]" 1
160 1 15 A H1' 1 16 U H5 4.000 2.800 5.200 4.464 4.010 5.293 0.093 1 0 "[ .]" 1
161 1 15 A H8 1 16 U H5 4.360 3.050 5.670 3.471 3.259 3.811 . 0 0 "[ .]" 1
162 1 14 C H5 2 3 PRO HD2 3.600 2.520 5.000 4.674 4.344 5.561 0.561 1 1 "[+ .]" 1
163 1 14 C H5 2 3 PRO HD3 3.360 2.350 5.000 3.206 2.938 4.115 . 0 0 "[ .]" 1
164 1 15 A H1' 2 3 PRO QB 3.990 2.800 5.190 5.593 4.858 6.560 1.370 1 2 "[+ -.]" 1
165 1 16 U H1' 1 16 U H6 2.930 2.050 3.500 3.421 3.277 3.513 0.013 1 0 "[ .]" 1
166 1 16 U H1' 1 17 U H5 4.250 2.980 5.520 5.043 4.618 5.399 . 0 0 "[ .]" 1
167 1 16 U H1' 1 17 U H6 4.000 2.800 4.780 3.917 3.498 4.716 . 0 0 "[ .]" 1
168 1 16 U H1' 2 4 ARG HD2 4.860 3.400 6.320 4.952 4.183 5.716 . 0 0 "[ .]" 1
169 1 16 U H1' 2 4 ARG HD3 3.770 2.640 4.900 4.446 2.941 5.073 0.173 1 0 "[ .]" 1
170 1 17 U H1' 1 17 U H6 2.970 2.080 3.860 3.656 3.554 3.724 . 0 0 "[ .]" 1
171 1 17 U H1' 2 4 ARG HD3 3.910 2.740 5.080 3.963 2.747 4.402 . 0 0 "[ .]" 1
172 1 17 U H1' 2 4 ARG HD2 4.280 3.000 5.560 4.079 3.411 5.492 . 0 0 "[ .]" 1
173 1 18 A H2' 1 18 A H8 2.560 . 3.330 2.337 2.092 2.565 . 0 0 "[ .]" 1
174 1 18 A H1' 1 18 A H3' 3.590 2.510 4.670 3.799 3.704 3.930 . 0 0 "[ .]" 1
175 1 18 A H1' 1 18 A H8 3.490 2.440 4.540 3.840 3.686 3.953 . 0 0 "[ .]" 1
176 1 18 A H1' 1 18 A H2' 2.670 . 3.470 3.063 3.031 3.088 . 0 0 "[ .]" 1
177 1 18 A H3' 1 18 A H8 2.840 . 3.690 4.009 3.878 4.131 0.441 5 0 "[ .]" 1
178 1 18 A H1' 1 18 A H2 4.140 2.900 5.380 4.376 4.217 4.615 . 0 0 "[ .]" 1
179 1 18 A H2 1 19 G H8 5.000 3.500 6.500 4.900 4.239 5.304 . 0 0 "[ .]" 1
180 1 18 A H1' 1 19 G H1' 3.360 2.350 4.370 4.490 4.345 4.690 0.320 1 0 "[ .]" 1
181 1 18 A H3' 1 19 G H8 3.310 2.320 4.300 4.575 4.502 4.663 0.363 4 0 "[ .]" 1
182 1 18 A H8 1 19 G H8 4.600 3.220 5.980 4.544 4.083 4.806 . 0 0 "[ .]" 1
183 1 18 A H2' 1 19 G H8 3.180 2.230 4.130 3.189 2.976 3.572 . 0 0 "[ .]" 1
184 1 18 A H1' 1 19 G H8 2.680 . 3.480 3.586 3.435 3.732 0.252 2 0 "[ .]" 1
185 1 18 A H8 2 7 GLY HA2 3.570 2.500 4.640 2.625 2.293 2.954 0.207 3 0 "[ .]" 1
186 1 18 A H8 2 7 GLY HA3 3.250 2.280 4.220 3.063 2.716 3.418 . 0 0 "[ .]" 1
187 1 18 A H1' 2 7 GLY HA2 3.980 2.790 5.170 5.275 5.079 5.710 0.540 2 1 "[ + .]" 1
188 1 18 A H8 2 8 THR MG 5.000 3.500 6.500 5.344 5.077 5.484 . 0 0 "[ .]" 1
189 1 18 A H1' 2 8 THR MG 5.000 3.500 6.500 5.108 4.828 5.323 . 0 0 "[ .]" 1
190 1 18 A H3' 2 8 THR MG 3.910 2.740 5.080 3.973 3.341 4.332 . 0 0 "[ .]" 1
191 1 18 A H2' 2 8 THR MG 3.630 2.540 4.720 3.678 3.288 3.966 . 0 0 "[ .]" 1
192 1 19 G H1' 1 19 G H8 3.320 2.320 4.320 3.628 3.464 3.792 . 0 0 "[ .]" 1
193 1 19 G H8 1 20 C H6 5.000 3.500 6.500 4.981 4.701 5.198 . 0 0 "[ .]" 1
194 1 19 G H1' 1 20 C H5 4.180 2.930 5.430 5.453 5.299 5.554 0.124 4 0 "[ .]" 1
195 1 19 G H1' 1 20 C H6 3.420 2.390 4.450 4.694 4.609 4.761 0.311 2 0 "[ .]" 1
196 1 19 G H8 2 7 GLY HA2 3.000 2.100 3.900 3.939 3.889 4.005 0.105 4 0 "[ .]" 1
197 1 19 G H8 2 7 GLY HA3 2.900 2.030 3.770 2.192 2.127 2.271 . 0 0 "[ .]" 1
198 1 19 G H8 2 8 THR MG 2.890 2.020 3.760 2.720 2.407 2.971 . 0 0 "[ .]" 1
199 1 19 G H1' 2 8 THR MG 4.480 3.140 5.820 4.757 4.183 5.028 . 0 0 "[ .]" 1
200 1 20 C H1' 1 20 C H6 3.240 2.270 4.210 3.684 3.644 3.726 . 0 0 "[ .]" 1
201 1 20 C H1' 1 20 C H5 4.190 2.930 5.450 5.284 5.254 5.317 . 0 0 "[ .]" 1
202 1 20 C H6 1 21 U H6 4.120 2.880 5.360 4.567 4.196 4.809 . 0 0 "[ .]" 1
203 1 20 C H5 1 21 U H6 4.140 2.900 5.380 5.054 4.540 5.379 . 0 0 "[ .]" 1
204 1 20 C H1' 1 21 U H6 3.420 2.390 4.450 4.518 4.364 4.584 0.134 4 0 "[ .]" 1
205 1 20 C H5 2 8 THR HB 3.350 2.350 4.350 4.354 4.082 4.522 0.172 1 0 "[ .]" 1
206 1 20 C H6 2 8 THR MG 5.000 3.500 6.500 3.779 3.164 4.265 0.336 5 0 "[ .]" 1
207 1 20 C H5 2 8 THR MG 3.820 2.670 4.970 3.171 2.862 3.630 . 0 0 "[ .]" 1
208 1 20 C H6 2 10 GLY HA2 3.210 2.300 4.170 2.566 2.297 2.793 0.003 1 0 "[ .]" 1
209 1 20 C H5 2 10 GLY HA2 3.060 2.230 3.980 3.309 3.259 3.414 . 0 0 "[ .]" 1
210 1 21 U H1' 1 21 U H6 3.150 2.210 4.090 3.544 3.437 3.669 . 0 0 "[ .]" 1
211 1 21 U H1' 1 22 C H6 3.630 2.540 4.720 4.596 4.431 4.767 0.047 3 0 "[ .]" 1
212 1 21 U H6 1 22 C H6 4.350 3.050 5.650 4.560 4.346 4.676 . 0 0 "[ .]" 1
213 1 21 U H6 2 10 GLY HA2 3.520 2.460 4.580 3.467 2.525 4.308 . 0 0 "[ .]" 1
214 1 22 C H1' 1 22 C H6 3.310 2.320 4.300 3.358 3.238 3.452 . 0 0 "[ .]" 1
215 1 22 C H1' 1 23 C H6 3.600 2.520 4.680 4.732 4.613 4.865 0.185 5 0 "[ .]" 1
216 1 23 C H1' 1 23 C H6 3.490 2.440 4.540 3.609 3.487 3.730 . 0 0 "[ .]" 1
217 1 23 C H1' 1 24 G H8 3.580 2.510 4.650 4.627 4.568 4.765 0.115 4 0 "[ .]" 1
218 1 23 C H5 1 24 G H8 4.350 3.050 5.650 5.001 4.565 5.435 . 0 0 "[ .]" 1
219 1 23 C H6 1 24 G H8 3.930 2.750 5.110 4.261 3.988 4.739 . 0 0 "[ .]" 1
220 1 24 G H1' 1 24 G H8 3.550 2.490 4.610 3.493 3.225 3.632 . 0 0 "[ .]" 1
221 1 24 G H8 1 25 A H8 4.170 2.920 5.420 5.110 4.321 5.522 0.102 2 0 "[ .]" 1
222 1 25 A H1' 1 25 A H8 3.450 2.420 4.480 3.666 3.551 3.834 . 0 0 "[ .]" 1
223 1 25 A H2 1 26 G H8 4.880 3.420 6.340 5.076 4.622 5.420 . 0 0 "[ .]" 1
224 1 25 A H1' 1 26 G H8 4.000 2.800 5.200 5.090 4.826 5.365 0.165 1 0 "[ .]" 1
225 1 25 A H8 1 26 G H8 4.560 3.190 5.930 4.899 4.459 5.343 . 0 0 "[ .]" 1
226 1 25 A H2 1 26 G H1' 3.290 2.300 4.280 3.999 3.278 4.294 0.014 3 0 "[ .]" 1
227 1 26 G H1' 1 26 G H8 3.770 2.640 4.900 3.681 3.595 3.756 . 0 0 "[ .]" 1
228 1 26 G H8 1 27 C H5 4.040 2.830 5.250 3.920 3.626 4.625 . 0 0 "[ .]" 1
229 1 26 G H8 1 27 C H6 4.670 3.270 6.070 4.834 4.512 5.446 . 0 0 "[ .]" 1
230 1 27 C H1' 1 27 C H6 3.080 2.160 4.000 3.554 3.505 3.621 . 0 0 "[ .]" 1
231 1 27 C H5 1 28 C H5 3.130 2.190 4.070 3.502 2.859 4.204 0.134 2 0 "[ .]" 1
232 1 27 C H6 1 28 C H5 3.120 2.180 4.060 3.940 3.709 4.097 0.037 1 0 "[ .]" 1
233 1 28 C H1' 1 28 C H5 3.700 2.590 5.000 5.177 5.141 5.243 0.243 2 0 "[ .]" 1
234 2 3 PRO QB 2 3 PRO HD2 2.890 2.020 3.690 3.408 3.251 3.504 . 0 0 "[ .]" 1
235 2 3 PRO HD2 2 3 PRO HG3 2.560 . 3.330 2.865 2.776 3.052 . 0 0 "[ .]" 1
236 2 3 PRO HD2 2 3 PRO HG2 2.430 . 3.160 2.253 2.143 2.383 . 0 0 "[ .]" 1
237 2 4 ARG HB3 2 4 ARG HD3 2.700 . 3.510 3.607 3.542 3.777 0.267 2 0 "[ .]" 1
238 2 4 ARG HA 2 4 ARG HD3 3.190 2.230 4.490 4.732 4.618 4.928 0.438 2 0 "[ .]" 1
239 2 4 ARG HA 2 4 ARG HD2 3.240 2.270 4.210 4.113 3.759 4.362 0.152 4 0 "[ .]" 1
240 2 5 PRO HA 2 5 PRO HD2 3.570 2.800 4.970 3.928 3.770 4.049 . 0 0 "[ .]" 1
241 2 5 PRO HD2 2 5 PRO HG2 2.160 . 2.810 2.388 2.338 2.447 . 0 0 "[ .]" 1
242 2 5 PRO HA 2 5 PRO HD3 3.640 2.850 4.430 3.526 3.314 3.771 . 0 0 "[ .]" 1
243 2 6 ARG HA 2 6 ARG HD3 3.500 2.500 4.500 4.629 4.553 4.690 0.190 3 0 "[ .]" 1
244 2 6 ARG HD2 2 6 ARG QG 2.420 . 3.150 2.455 2.431 2.525 . 0 0 "[ .]" 1
245 2 6 ARG HA 2 6 ARG QB 2.360 . 3.070 2.323 2.252 2.350 . 0 0 "[ .]" 1
246 2 6 ARG HA 2 6 ARG QG 2.300 . 2.990 2.532 2.504 2.548 . 0 0 "[ .]" 1
247 2 6 ARG HA 2 6 ARG HD2 2.750 . 4.200 4.363 4.297 4.399 0.199 1 0 "[ .]" 1
248 2 6 ARG HD2 2 15 ILE MD 3.120 2.180 4.060 2.360 2.245 2.539 . 0 0 "[ .]" 1
249 2 6 ARG HA 2 15 ILE MD 3.820 2.670 4.970 3.922 3.853 4.010 . 0 0 "[ .]" 1
250 2 6 ARG QG 2 15 ILE MD 3.070 2.150 3.990 3.210 3.184 3.251 . 0 0 "[ .]" 1
251 2 6 ARG HD3 2 15 ILE MD 3.140 2.200 4.080 2.392 2.247 2.509 . 0 0 "[ .]" 1
252 2 8 THR HA 2 8 THR MG 2.840 . 3.690 3.035 2.967 3.076 . 0 0 "[ .]" 1
253 2 8 THR HB 2 8 THR MG 2.490 . 3.070 2.206 2.177 2.261 . 0 0 "[ .]" 1
254 2 8 THR HA 2 8 THR HB 2.050 . 2.660 1.941 1.915 1.988 . 0 0 "[ .]" 1
255 2 8 THR HB 2 15 ILE HG13 2.960 2.070 4.160 3.829 3.722 3.940 . 0 0 "[ .]" 1
256 2 8 THR MG 2 12 GLY HA2 2.990 2.090 3.890 3.105 2.723 3.384 . 0 0 "[ .]" 1
257 2 8 THR HA 2 14 ARG HA 2.030 . 2.640 1.863 1.765 1.965 . 0 0 "[ .]" 1
258 2 8 THR MG 2 14 ARG HA 2.390 . 3.990 2.833 2.531 3.097 . 0 0 "[ .]" 1
259 2 8 THR HB 2 14 ARG QD 3.080 2.160 4.000 3.259 2.537 3.787 . 0 0 "[ .]" 1
260 2 8 THR HA 2 14 ARG HG2 3.000 2.100 3.900 4.065 3.830 4.343 0.443 3 0 "[ .]" 1
261 2 8 THR HA 2 14 ARG QD 3.420 2.390 4.450 4.034 3.964 4.132 . 0 0 "[ .]" 1
262 2 8 THR HA 2 14 ARG QB 2.990 2.090 4.190 3.868 3.760 4.055 . 0 0 "[ .]" 1
263 2 8 THR HA 2 15 ILE HG13 2.290 . 2.980 2.026 1.977 2.079 . 0 0 "[ .]" 1
264 2 8 THR HB 2 15 ILE MD 4.200 2.940 5.460 4.486 4.427 4.572 . 0 0 "[ .]" 1
265 2 8 THR HA 2 15 ILE MD 3.420 2.390 4.450 3.031 2.960 3.088 . 0 0 "[ .]" 1
266 2 8 THR HA 2 15 ILE HG12 2.700 . 4.000 3.145 3.117 3.177 . 0 0 "[ .]" 1
267 2 9 ARG HA 2 9 ARG HB2 2.400 . 3.120 2.911 2.854 2.944 . 0 0 "[ .]" 1
268 2 9 ARG HA 2 9 ARG HB3 2.310 . 3.000 2.350 2.179 2.493 . 0 0 "[ .]" 1
269 2 9 ARG HA 2 9 ARG QG 2.400 . 3.120 2.241 2.115 2.364 . 0 0 "[ .]" 1
270 2 9 ARG HB3 2 9 ARG HD3 2.290 . 2.980 2.620 2.588 2.667 . 0 0 "[ .]" 1
271 2 9 ARG HB2 2 9 ARG HD2 2.400 . 3.120 2.228 2.131 2.365 . 0 0 "[ .]" 1
272 2 9 ARG HB2 2 9 ARG QG 2.020 . 2.630 2.293 2.158 2.354 . 0 0 "[ .]" 1
273 2 9 ARG HB2 2 9 ARG HD3 2.390 . 3.110 3.025 2.965 3.172 0.062 5 0 "[ .]" 1
274 2 9 ARG HA 2 9 ARG HD2 2.770 . 4.070 4.397 4.361 4.485 0.415 5 0 "[ .]" 1
275 2 9 ARG HA 2 9 ARG HD3 2.870 2.010 4.170 4.199 4.144 4.225 0.055 3 0 "[ .]" 1
276 2 9 ARG QB 2 15 ILE MD 3.670 2.570 5.470 3.691 3.672 3.748 . 0 0 "[ .]" 1
277 2 9 ARG HA 2 15 ILE MD 3.520 2.460 4.580 2.835 2.660 3.038 . 0 0 "[ .]" 1
278 2 9 ARG HA 2 15 ILE HG13 3.050 2.130 4.550 4.328 4.047 4.479 . 0 0 "[ .]" 1
279 2 11 LYS HA 2 11 LYS HB2 2.340 . 2.990 3.044 2.966 3.069 0.079 4 0 "[ .]" 1
280 2 11 LYS HA 2 11 LYS QE 3.350 2.350 4.350 3.611 2.104 4.080 0.246 5 0 "[ .]" 1
281 2 13 ARG HA 2 13 ARG HD2 2.690 . 3.990 3.531 3.006 3.906 . 0 0 "[ .]" 1
282 2 14 ARG HA 2 15 ILE MD 4.550 3.190 5.910 4.478 4.313 4.634 . 0 0 "[ .]" 1
283 2 15 ILE MD 2 15 ILE HG12 2.240 . 2.910 2.268 2.183 2.299 . 0 0 "[ .]" 1
284 2 15 ILE HA 2 15 ILE MD 3.440 2.410 4.470 3.913 3.902 3.934 . 0 0 "[ .]" 1
285 2 15 ILE HA 2 15 ILE MG 2.510 . 3.260 2.287 2.210 2.413 . 0 0 "[ .]" 1
286 2 15 ILE MG 2 16 ARG HA 3.450 2.420 4.480 3.276 3.044 3.590 . 0 0 "[ .]" 1
287 2 15 ILE MG 2 17 ARG QD 3.920 3.420 5.100 3.490 2.928 3.931 0.492 4 0 "[ .]" 1
288 1 1 G H5' 1 1 G H8 3.370 . 5.060 4.076 2.873 4.672 . 0 0 "[ .]" 1
289 1 1 G H5'' 1 1 G H8 3.260 . 4.890 3.332 2.377 4.671 . 0 0 "[ .]" 1
290 1 1 G H1' 1 1 G H2' 2.940 . 4.410 2.851 2.710 3.114 . 0 0 "[ .]" 1
291 1 1 G H2' 1 1 G H8 2.940 . 4.410 3.837 2.361 4.325 . 0 0 "[ .]" 1
292 1 1 G H3' 1 1 G H8 3.300 . 4.950 3.514 3.104 4.479 . 0 0 "[ .]" 1
293 1 1 G H1' 1 1 G H4' 3.150 . 4.720 3.253 2.562 3.669 . 0 0 "[ .]" 1
294 1 1 G H2' 1 2 G H8 2.830 . 4.250 2.583 1.920 4.129 . 0 0 "[ .]" 1
295 1 1 G H3' 1 2 G H8 3.240 . 4.860 3.262 2.131 4.319 . 0 0 "[ .]" 1
296 1 1 G H1' 1 2 G H8 3.130 . 4.690 4.226 2.645 4.869 0.179 1 0 "[ .]" 1
297 1 2 G H3' 1 2 G H8 2.860 . 4.290 3.426 3.113 4.095 . 0 0 "[ .]" 1
298 1 2 G H1' 1 2 G H2' 2.760 . 4.140 2.834 2.818 2.848 . 0 0 "[ .]" 1
299 1 2 G H4' 1 2 G H8 3.170 . 4.750 4.422 4.131 4.594 . 0 0 "[ .]" 1
300 1 2 G H1' 1 2 G H4' 3.370 . 5.060 3.264 3.052 3.492 . 0 0 "[ .]" 1
301 1 2 G H2' 1 2 G H8 2.800 . 4.200 4.104 3.891 4.302 0.102 4 0 "[ .]" 1
302 1 2 G H1' 1 2 G H3' 3.520 . 5.280 3.860 3.795 3.928 . 0 0 "[ .]" 1
303 1 2 G H2' 1 3 C H6 2.800 . 4.200 2.551 2.033 2.867 . 0 0 "[ .]" 1
304 1 2 G H2' 1 3 C H5 3.200 . 4.800 4.254 3.843 4.845 0.045 5 0 "[ .]" 1
305 1 3 C H4' 1 3 C H6 3.090 . 4.630 4.233 4.083 4.387 . 0 0 "[ .]" 1
306 1 4 U H1' 1 4 U H4' 2.630 . 3.940 3.357 3.215 3.564 . 0 0 "[ .]" 1
307 1 4 U H3' 1 4 U H6 2.780 . 4.170 3.339 2.846 3.836 . 0 0 "[ .]" 1
308 1 4 U H1' 1 4 U H2' 2.410 . 3.620 2.895 2.869 2.948 . 0 0 "[ .]" 1
309 1 4 U H4' 1 4 U H6 2.980 . 4.470 4.261 4.145 4.443 . 0 0 "[ .]" 1
310 1 4 U H2' 1 5 C H6 2.380 . 3.570 2.094 1.788 2.444 . 0 0 "[ .]" 1
311 1 4 U H1' 1 5 C H6 3.250 . 4.870 4.506 4.081 4.858 . 0 0 "[ .]" 1
312 1 5 C H1' 1 5 C H2' 2.510 . 3.760 2.886 2.868 2.898 . 0 0 "[ .]" 1
313 1 5 C H1' 1 5 C H3' 3.360 . 5.040 3.818 3.727 3.878 . 0 0 "[ .]" 1
314 1 5 C H1' 1 5 C H4' 3.000 . 4.500 3.330 3.287 3.400 . 0 0 "[ .]" 1
315 1 5 C H3' 1 5 C H6 3.200 . 4.800 3.808 3.601 4.016 . 0 0 "[ .]" 1
316 1 5 C H4' 1 5 C H6 3.090 . 4.630 4.308 4.237 4.423 . 0 0 "[ .]" 1
317 1 5 C H1' 1 5 C H6 3.410 . 5.120 3.290 3.110 3.378 . 0 0 "[ .]" 1
318 1 5 C H1' 1 6 G H8 3.410 . 5.120 5.065 4.888 5.188 0.068 4 0 "[ .]" 1
319 1 6 G H2' 1 6 G H3' 2.410 . 3.500 2.379 2.271 2.432 . 0 0 "[ .]" 1
320 1 6 G H1' 1 6 G H2' 2.510 . 3.760 2.836 2.776 2.891 . 0 0 "[ .]" 1
321 1 6 G H2' 1 6 G H8 3.070 . 4.600 4.180 4.060 4.378 . 0 0 "[ .]" 1
322 1 6 G H1' 1 6 G H4' 2.880 . 4.320 2.991 2.694 3.312 . 0 0 "[ .]" 1
323 1 6 G H3' 1 6 G H8 2.650 . 3.970 3.445 3.225 3.578 . 0 0 "[ .]" 1
324 1 6 G H1' 1 6 G H3' 3.300 . 4.950 3.706 3.638 3.797 . 0 0 "[ .]" 1
325 1 6 G H2' 1 8 G H8 3.070 . 4.600 4.216 3.757 4.629 0.029 4 0 "[ .]" 1
326 1 9 U H1' 1 9 U H3' 3.130 . 4.690 3.892 3.869 3.909 . 0 0 "[ .]" 1
327 1 9 U H3' 1 9 U H6 2.930 . 4.400 4.053 3.942 4.125 . 0 0 "[ .]" 1
328 1 9 U H1' 1 9 U H6 2.450 . 3.680 3.720 3.709 3.732 0.052 3 0 "[ .]" 1
329 1 9 U H2' 1 9 U H6 2.330 . 3.500 2.414 2.179 2.619 . 0 0 "[ .]" 1
330 1 9 U H1' 1 9 U H2' 2.600 . 3.900 3.094 3.081 3.112 . 0 0 "[ .]" 1
331 1 9 U H1' 1 9 U H4' 2.710 . 4.060 3.336 3.259 3.434 . 0 0 "[ .]" 1
332 1 8 G H4' 1 9 U H6 3.480 . 5.220 4.611 4.278 5.171 . 0 0 "[ .]" 1
333 1 8 G H2' 1 8 G H3' 2.710 . 4.060 2.080 1.987 2.134 . 0 0 "[ .]" 1
334 1 8 G H1' 1 8 G H2' 2.500 . 3.750 3.091 3.059 3.113 . 0 0 "[ .]" 1
335 1 8 G H2' 1 8 G H8 2.950 . 4.430 3.211 2.720 3.634 . 0 0 "[ .]" 1
336 1 8 G H1' 1 8 G H3' 3.060 . 4.590 3.927 3.838 3.989 . 0 0 "[ .]" 1
337 1 8 G H3' 1 8 G H4' 2.640 . 3.960 2.969 2.941 3.017 . 0 0 "[ .]" 1
338 1 8 G H1' 1 8 G H4' 2.780 . 4.170 3.435 3.198 3.594 . 0 0 "[ .]" 1
339 1 7 U H1' 1 8 G H8 2.610 . 3.910 3.145 2.839 3.752 . 0 0 "[ .]" 1
340 1 7 U H4' 1 8 G H8 3.050 . 4.570 2.782 2.639 2.947 . 0 0 "[ .]" 1
341 1 7 U H1' 1 7 U H6 3.160 2.250 4.170 3.852 3.792 3.883 . 0 0 "[ .]" 1
342 1 7 U H5' 1 7 U H6 3.240 . 4.860 4.264 3.483 4.705 . 0 0 "[ .]" 1
343 1 7 U H1' 1 7 U H2' 3.040 . 4.560 3.073 3.040 3.089 . 0 0 "[ .]" 1
344 1 7 U H2' 1 7 U H5 3.250 . 4.870 4.748 4.589 4.836 . 0 0 "[ .]" 1
345 1 7 U H3' 1 7 U H4' 2.530 . 3.790 2.927 2.864 2.966 . 0 0 "[ .]" 1
346 1 7 U H2' 1 7 U H6 2.370 . 3.560 2.797 2.386 3.044 . 0 0 "[ .]" 1
347 1 7 U H3' 1 7 U H6 3.000 . 4.500 4.598 4.431 4.675 0.175 2 0 "[ .]" 1
348 1 7 U H4' 1 7 U H6 3.560 . 5.340 4.633 4.378 5.216 . 0 0 "[ .]" 1
349 1 7 U H1' 1 7 U H4' 3.140 . 4.710 3.085 2.918 3.263 . 0 0 "[ .]" 1
350 1 10 A H1' 1 10 A H3' 3.360 . 5.040 3.778 3.692 3.904 . 0 0 "[ .]" 1
351 1 10 A Q5' 1 10 A H8 2.920 . 4.380 3.425 2.953 3.728 . 0 0 "[ .]" 1
352 1 10 A H4' 1 10 A H8 3.270 . 4.910 4.594 4.412 4.773 . 0 0 "[ .]" 1
353 1 10 A H1' 1 10 A H4' 3.170 . 4.750 3.247 3.092 3.499 . 0 0 "[ .]" 1
354 1 10 A H2' 1 10 A H3' 2.740 . 4.110 2.425 2.365 2.461 . 0 0 "[ .]" 1
355 1 11 G H1' 1 11 G H4' 3.220 . 4.830 3.192 3.100 3.437 . 0 0 "[ .]" 1
356 1 11 G H1' 1 11 G H2' 2.560 . 3.840 2.868 2.810 2.908 . 0 0 "[ .]" 1
357 1 11 G H1' 1 11 G H3' 3.150 . 4.720 3.835 3.791 3.896 . 0 0 "[ .]" 1
358 1 11 G H4' 1 11 G H8 3.350 . 5.030 4.459 4.242 4.717 . 0 0 "[ .]" 1
359 1 11 G H3' 1 11 G H8 2.900 . 4.350 3.738 3.503 4.323 . 0 0 "[ .]" 1
360 1 11 G H2' 1 11 G H3' 2.360 . 3.540 2.368 2.282 2.480 . 0 0 "[ .]" 1
361 1 11 G H3' 1 12 C H6 3.320 . 4.980 2.912 2.404 3.799 . 0 0 "[ .]" 1
362 1 12 C H1' 1 12 C H2' 3.230 . 3.500 2.816 2.779 2.838 . 0 0 "[ .]" 1
363 1 12 C H4' 1 12 C H6 3.480 . 5.220 4.282 4.172 4.376 . 0 0 "[ .]" 1
364 1 12 C H2' 1 12 C H6 3.040 . 4.560 4.144 3.933 4.431 . 0 0 "[ .]" 1
365 1 12 C H1' 1 13 U H6 3.240 . 4.860 5.023 4.944 5.170 0.310 3 0 "[ .]" 1
366 1 12 C H2' 1 13 U H6 3.140 . 3.500 2.573 2.144 2.858 . 0 0 "[ .]" 1
367 1 13 U H1' 1 13 U H4' 3.160 . 4.740 3.267 3.198 3.358 . 0 0 "[ .]" 1
368 1 13 U H3' 1 13 U H6 2.570 . 3.850 3.261 3.177 3.351 . 0 0 "[ .]" 1
369 1 13 U H4' 1 13 U H6 3.380 . 5.070 4.196 4.125 4.240 . 0 0 "[ .]" 1
370 1 13 U H1' 1 13 U H2' 2.590 . 3.880 2.839 2.805 2.906 . 0 0 "[ .]" 1
371 1 13 U H1' 1 13 U H3' 3.270 . 4.910 3.858 3.824 3.898 . 0 0 "[ .]" 1
372 1 14 C H1' 1 14 C H4' 3.020 . 4.530 3.311 3.207 3.535 . 0 0 "[ .]" 1
373 1 14 C H3' 1 14 C H6 2.990 . 4.490 4.615 4.195 4.748 0.258 5 0 "[ .]" 1
374 1 14 C H2' 1 14 C H3' 2.520 . 3.500 2.150 2.061 2.261 . 0 0 "[ .]" 1
375 1 14 C H2' 1 14 C H6 2.560 . 3.840 3.132 2.033 3.444 . 0 0 "[ .]" 1
376 1 14 C H1' 1 14 C H2' 2.890 . 4.340 3.100 3.031 3.143 . 0 0 "[ .]" 1
377 1 15 A H3' 1 15 A H8 3.280 . 4.920 4.159 3.930 4.509 . 0 0 "[ .]" 1
378 1 15 A H1' 1 15 A H3' 3.260 . 4.890 4.011 3.935 4.081 . 0 0 "[ .]" 1
379 1 15 A H2' 1 15 A H8 2.600 . 3.900 2.304 2.053 3.189 . 0 0 "[ .]" 1
380 1 15 A H1' 1 15 A H4' 2.930 . 4.400 2.796 2.541 3.549 . 0 0 "[ .]" 1
381 1 15 A H1' 1 15 A H2' 2.800 . 4.200 3.167 3.048 3.211 . 0 0 "[ .]" 1
382 1 15 A H2' 1 16 U H5 3.440 . 5.160 3.231 2.730 3.469 . 0 0 "[ .]" 1
383 1 15 A H2' 1 16 U H6 3.160 . 4.740 3.249 2.560 3.542 . 0 0 "[ .]" 1
384 1 16 U H2' 1 16 U H6 2.280 . 3.420 3.367 2.871 3.630 0.210 3 0 "[ .]" 1
385 1 16 U H1' 1 16 U H2' 2.650 . 3.970 3.009 2.889 3.083 . 0 0 "[ .]" 1
386 1 16 U H3' 1 16 U H4' 2.590 . 3.500 3.028 3.003 3.043 . 0 0 "[ .]" 1
387 1 16 U H1' 1 16 U H3' 3.280 . 4.920 3.826 3.757 3.942 . 0 0 "[ .]" 1
388 1 16 U H1' 1 16 U H4' 2.880 . 4.320 2.993 2.695 3.158 . 0 0 "[ .]" 1
389 1 16 U H3' 1 16 U H6 2.800 . 4.200 3.337 2.895 3.602 . 0 0 "[ .]" 1
390 1 16 U H4' 1 16 U H6 3.570 . 5.350 4.249 4.114 4.350 . 0 0 "[ .]" 1
391 1 16 U H3' 1 17 U H6 3.570 . 5.350 5.540 5.357 5.657 0.307 4 0 "[ .]" 1
392 1 17 U H1' 1 17 U H2' 2.800 . 4.200 2.966 2.848 3.016 . 0 0 "[ .]" 1
393 1 17 U H2' 1 17 U H6 2.060 . 3.090 2.918 2.570 3.108 0.018 2 0 "[ .]" 1
394 1 17 U H4' 1 17 U H6 3.440 . 5.160 4.020 3.907 4.167 . 0 0 "[ .]" 1
395 1 17 U H1' 1 17 U H3' 3.280 . 4.920 3.946 3.890 4.006 . 0 0 "[ .]" 1
396 1 17 U H3' 1 17 U H6 2.860 . 4.290 4.344 4.181 4.441 0.151 2 0 "[ .]" 1
397 1 17 U H1' 1 17 U H4' 2.750 . 4.130 3.481 3.300 3.558 . 0 0 "[ .]" 1
398 1 17 U H4' 1 18 A H8 3.500 . 5.250 4.858 3.640 5.360 0.110 4 0 "[ .]" 1
399 1 18 A H1' 1 18 A H4' 3.210 . 4.810 3.123 2.877 3.531 . 0 0 "[ .]" 1
400 1 19 G Q5' 1 19 G H8 3.300 . 4.950 3.372 3.034 3.677 . 0 0 "[ .]" 1
401 1 19 G H3' 1 19 G H8 3.080 . 4.620 3.586 3.133 3.877 . 0 0 "[ .]" 1
402 1 19 G H1' 1 19 G H2' 3.470 . 3.500 2.826 2.775 2.910 . 0 0 "[ .]" 1
403 1 19 G H1' 1 19 G H4' 3.300 . 4.950 3.192 3.017 3.316 . 0 0 "[ .]" 1
404 1 19 G H3' 1 20 C H6 3.370 . 5.060 3.236 2.944 3.505 . 0 0 "[ .]" 1
405 1 19 G H2' 1 20 C H6 2.400 . 3.600 2.052 1.890 2.274 . 0 0 "[ .]" 1
406 1 20 C H3' 1 20 C H6 3.180 . 4.770 3.033 2.770 3.174 . 0 0 "[ .]" 1
407 1 20 C H1' 1 20 C H3' 3.210 . 4.810 3.942 3.899 3.967 . 0 0 "[ .]" 1
408 1 20 C H4' 1 20 C H6 3.190 . 4.780 4.387 4.156 4.524 . 0 0 "[ .]" 1
409 1 20 C H1' 1 20 C H2' 2.520 . 3.780 2.871 2.843 2.897 . 0 0 "[ .]" 1
410 1 20 C H2' 1 21 U H6 2.370 . 3.560 2.109 1.929 2.233 . 0 0 "[ .]" 1
411 1 21 U H2' 1 21 U H6 3.210 . 4.810 4.015 3.719 4.318 . 0 0 "[ .]" 1
412 1 21 U H1' 1 21 U H2' 2.560 . 3.840 2.848 2.822 2.907 . 0 0 "[ .]" 1
413 1 21 U H3' 1 21 U H6 2.720 . 4.080 3.079 2.417 3.541 . 0 0 "[ .]" 1
414 1 21 U H1' 1 21 U H3' 3.050 . 4.570 3.781 3.721 3.896 . 0 0 "[ .]" 1
415 1 21 U H4' 1 21 U H6 2.850 . 4.280 4.176 3.887 4.314 0.034 5 0 "[ .]" 1
416 1 21 U H2' 1 22 C H6 2.490 . 3.740 2.197 1.825 2.540 . 0 0 "[ .]" 1
417 1 22 C H3' 1 22 C H6 2.970 . 4.460 3.850 3.634 4.018 . 0 0 "[ .]" 1
418 1 22 C H1' 1 22 C H2' 2.630 . 3.940 2.829 2.797 2.864 . 0 0 "[ .]" 1
419 1 22 C H1' 1 22 C H3' 3.450 . 5.180 3.849 3.807 3.876 . 0 0 "[ .]" 1
420 1 22 C H1' 1 22 C H4' 2.930 . 4.400 3.326 3.284 3.370 . 0 0 "[ .]" 1
421 1 22 C H4' 1 23 C H5 3.070 . 4.600 4.685 4.647 4.781 0.181 3 0 "[ .]" 1
422 1 22 C H3' 1 23 C H6 2.920 . 4.380 2.261 2.018 2.550 . 0 0 "[ .]" 1
423 1 23 C H1' 1 23 C H2' 2.650 . 3.970 2.808 2.760 2.880 . 0 0 "[ .]" 1
424 1 23 C H3' 1 23 C H6 2.820 . 4.230 3.143 2.987 3.434 . 0 0 "[ .]" 1
425 1 23 C H1' 1 23 C H4' 3.350 . 5.030 3.344 3.111 3.434 . 0 0 "[ .]" 1
426 1 23 C H4' 1 23 C H6 3.360 . 5.040 4.177 4.054 4.348 . 0 0 "[ .]" 1
427 1 23 C H2' 1 24 G H8 2.420 . 3.630 2.051 1.804 2.281 . 0 0 "[ .]" 1
428 1 23 C H3' 1 24 G H8 3.090 . 4.630 2.467 1.949 3.058 . 0 0 "[ .]" 1
429 1 23 C H4' 1 24 G H8 3.480 . 5.220 5.142 4.845 5.428 0.208 1 0 "[ .]" 1
430 1 24 G H3' 1 24 G H8 3.020 . 4.530 3.786 3.556 4.428 . 0 0 "[ .]" 1
431 1 24 G H1' 1 24 G H3' 3.150 . 4.720 3.816 3.776 3.868 . 0 0 "[ .]" 1
432 1 24 G H1' 1 25 A H8 3.300 . 4.950 4.894 4.675 5.159 0.209 3 0 "[ .]" 1
433 1 25 A H1' 1 25 A H2' 2.740 . 4.110 2.805 2.702 2.960 . 0 0 "[ .]" 1
434 1 25 A H1' 1 25 A H3' 3.370 . 5.060 3.860 3.760 3.936 . 0 0 "[ .]" 1
435 1 25 A H3' 1 25 A H8 2.970 . 4.460 3.423 2.945 3.725 . 0 0 "[ .]" 1
436 1 25 A H3' 1 26 G H8 3.170 . 4.750 3.182 2.451 3.663 . 0 0 "[ .]" 1
437 1 25 A H2' 1 26 G H8 2.560 . 3.840 2.758 1.992 3.398 . 0 0 "[ .]" 1
438 1 26 G H5' 1 26 G H8 3.340 . 5.010 4.289 4.080 4.583 . 0 0 "[ .]" 1
439 1 26 G H4' 1 26 G H8 3.480 . 5.220 4.459 4.288 4.553 . 0 0 "[ .]" 1
440 1 26 G H1' 1 26 G H3' 3.260 . 4.890 3.838 3.820 3.875 . 0 0 "[ .]" 1
441 1 26 G H3' 1 26 G H8 3.030 . 4.540 3.070 2.858 3.384 . 0 0 "[ .]" 1
442 1 26 G H1' 1 27 C H6 3.160 2.720 4.740 4.662 4.399 4.791 0.051 4 0 "[ .]" 1
443 1 26 G H3' 1 27 C H6 2.930 . 4.400 3.107 2.654 3.939 . 0 0 "[ .]" 1
444 1 27 C H4' 1 27 C H6 2.970 . 4.460 4.251 4.164 4.442 . 0 0 "[ .]" 1
445 1 27 C H1' 1 27 C H5 3.440 . 5.160 5.306 5.273 5.358 0.198 1 0 "[ .]" 1
446 1 27 C H1' 1 27 C H3' 2.760 . 4.140 3.837 3.775 3.869 . 0 0 "[ .]" 1
447 1 27 C H1' 1 27 C H2' 2.370 . 3.500 2.858 2.843 2.883 . 0 0 "[ .]" 1
448 1 28 C H4' 1 28 C H6 3.160 . 4.740 4.180 4.038 4.288 . 0 0 "[ .]" 1
449 1 28 C H1' 1 28 C H2' 2.420 . 3.630 2.846 2.792 2.864 . 0 0 "[ .]" 1
450 1 28 C H1' 1 28 C H3' 3.370 . 5.060 3.857 3.808 3.955 . 0 0 "[ .]" 1
451 1 28 C H3' 1 28 C H6 2.860 . 4.290 3.575 3.295 3.793 . 0 0 "[ .]" 1
452 1 28 C H1' 1 28 C H4' 3.040 . 4.560 3.476 3.342 3.711 . 0 0 "[ .]" 1
453 1 28 C H3' 1 28 C H5 3.460 . 5.190 5.240 5.173 5.266 0.076 4 0 "[ .]" 1
454 1 28 C H2' 1 28 C H6 2.950 . 4.430 4.247 3.996 4.461 0.031 1 0 "[ .]" 1
455 1 1 G H4' 1 1 G H8 3.220 . 4.830 4.430 4.105 4.973 0.143 5 0 "[ .]" 1
456 1 1 G H2' 1 1 G H3' 2.600 . 3.900 2.381 2.319 2.442 . 0 0 "[ .]" 1
457 1 1 G H4' 1 1 G H5' 2.130 . 3.190 2.697 2.534 3.071 . 0 0 "[ .]" 1
458 1 1 G H2' 1 1 G H4' 2.980 . 4.470 3.892 3.836 4.009 . 0 0 "[ .]" 1
459 1 2 G H2' 1 2 G H3' 2.970 . 4.460 2.351 2.309 2.366 . 0 0 "[ .]" 1
460 1 3 C H2' 1 3 C Q5' 3.060 . 4.590 4.044 3.930 4.218 . 0 0 "[ .]" 1
461 1 3 C H2' 1 4 U H5 2.930 . 4.400 3.473 3.279 3.691 . 0 0 "[ .]" 1
462 1 4 U H2' 1 5 C H5 3.200 . 4.800 3.495 2.651 4.134 . 0 0 "[ .]" 1
463 1 5 C H2' 1 6 G H8 2.170 . 3.250 2.768 2.177 3.293 0.043 5 0 "[ .]" 1
464 1 6 G H3' 1 6 G H4' 2.810 . 4.220 3.081 3.060 3.101 . 0 0 "[ .]" 1
465 1 6 G H4' 1 6 G H5'' 2.510 . 3.760 2.625 2.406 3.068 . 0 0 "[ .]" 1
466 1 6 G H1' 1 8 G H8 4.500 2.250 6.500 6.622 6.403 6.743 0.243 3 0 "[ .]" 1
467 1 8 G H3' 1 8 G H5'' 2.600 . 3.900 2.944 2.299 3.781 . 0 0 "[ .]" 1
468 1 8 G H3' 1 8 G H5' 2.710 . 4.060 3.036 2.373 3.782 . 0 0 "[ .]" 1
469 1 8 G H4' 1 8 G H5' 2.250 . 3.370 2.663 2.454 3.072 . 0 0 "[ .]" 1
470 1 8 G H4' 1 8 G H5'' 2.220 . 3.330 2.650 2.242 3.087 . 0 0 "[ .]" 1
471 1 8 G H3' 1 8 G H8 3.280 . 4.920 4.537 4.122 4.829 . 0 0 "[ .]" 1
472 1 7 U H2' 1 7 U H5' 2.520 . 3.780 3.400 2.716 3.809 0.029 5 0 "[ .]" 1
473 1 7 U H3' 1 7 U H5' 2.500 . 3.750 2.365 2.240 2.541 . 0 0 "[ .]" 1
474 1 7 U H4' 1 7 U H5'' 2.450 . 3.680 2.849 2.582 3.013 . 0 0 "[ .]" 1
475 1 7 U H5'' 1 7 U H6 2.880 . 4.320 3.324 2.990 4.328 0.008 2 0 "[ .]" 1
476 1 7 U H2' 1 7 U H4' 2.920 . 4.380 3.917 3.880 3.990 . 0 0 "[ .]" 1
477 1 7 U H4' 1 7 U H5' 2.720 . 4.080 2.823 2.627 3.046 . 0 0 "[ .]" 1
478 1 10 A H2' 1 10 A H4' 2.970 . 4.460 3.732 3.616 3.812 . 0 0 "[ .]" 1
479 1 10 A H3' 1 10 A H8 2.620 . 3.930 3.450 3.136 3.852 . 0 0 "[ .]" 1
480 1 11 G H2' 1 11 G H8 2.990 . 4.490 4.335 4.066 4.528 0.038 1 0 "[ .]" 1
481 1 12 C H3' 1 12 C H6 2.980 . 4.470 3.328 2.871 3.653 . 0 0 "[ .]" 1
482 1 12 C H1' 1 12 C H4' 2.700 . 4.050 3.344 3.247 3.428 . 0 0 "[ .]" 1
483 1 12 C H2' 1 13 U H5 3.290 . 4.940 4.006 2.881 4.757 . 0 0 "[ .]" 1
484 1 13 U H2' 1 13 U H5 3.290 . 5.490 5.183 5.162 5.204 . 0 0 "[ .]" 1
485 1 13 U H3' 1 13 U H5 3.280 . 4.920 4.973 4.829 5.065 0.145 4 0 "[ .]" 1
486 1 13 U H2' 1 14 C H6 2.930 . 3.500 3.276 2.694 3.646 0.146 1 0 "[ .]" 1
487 1 14 C H1' 1 14 C H3' 3.090 . 4.630 3.895 3.772 3.993 . 0 0 "[ .]" 1
488 1 14 C H4' 1 14 C H5'' 2.150 . 3.220 2.560 2.485 2.726 . 0 0 "[ .]" 1
489 1 14 C H4' 1 14 C H5' 2.350 . 3.530 2.361 2.280 2.477 . 0 0 "[ .]" 1
490 1 14 C H2' 1 14 C H5 3.400 . 5.100 4.880 4.616 4.987 . 0 0 "[ .]" 1
491 1 14 C H1' 1 18 A H2 2.820 . 5.000 5.137 4.626 5.374 0.374 3 0 "[ .]" 1
492 1 14 C H4' 1 18 A H2 3.400 . 5.400 4.908 4.512 5.713 0.313 1 0 "[ .]" 1
493 1 14 C H5 2 2 GLY QA 3.260 . 4.890 3.147 2.640 4.588 . 0 0 "[ .]" 1
494 1 15 A Q5' 1 15 A H8 2.700 . 4.050 3.516 2.379 3.851 . 0 0 "[ .]" 1
495 1 15 A H4' 1 15 A H8 2.970 . 4.460 4.350 4.285 4.505 0.045 1 0 "[ .]" 1
496 1 15 A H4' 1 16 U H6 2.930 . 4.400 4.964 4.445 5.136 0.736 3 4 "[ -+**]" 1
497 1 16 U H5' 1 16 U H6 3.110 . 4.660 4.425 4.170 4.676 0.016 3 0 "[ .]" 1
498 1 16 U H2' 1 16 U H5 3.380 . 5.070 4.856 4.680 5.028 . 0 0 "[ .]" 1
499 1 16 U H4' 1 16 U H5' 2.140 . 3.210 2.523 2.351 2.723 . 0 0 "[ .]" 1
500 1 17 U H2' 1 17 U H5 3.120 . 4.680 4.657 4.456 4.764 0.084 5 0 "[ .]" 1
501 1 17 U H4' 1 17 U Q5' 2.000 . 3.000 2.468 2.328 2.602 . 0 0 "[ .]" 1
502 1 17 U H2' 1 17 U H3' 2.120 . 3.180 2.284 2.128 2.363 . 0 0 "[ .]" 1
503 1 17 U Q5' 1 17 U H6 2.990 . 4.490 2.380 2.055 2.639 . 0 0 "[ .]" 1
504 1 17 U H3' 1 17 U Q5' 2.340 . 3.510 2.297 2.189 2.388 . 0 0 "[ .]" 1
505 1 18 A H2' 1 18 A Q5' 3.000 . 4.500 2.750 2.067 3.393 . 0 0 "[ .]" 1
506 1 18 A H2' 1 18 A H4' 2.870 . 4.310 3.781 3.659 3.904 . 0 0 "[ .]" 1
507 1 18 A Q5' 1 18 A H8 2.760 . 4.360 2.904 1.980 3.790 . 0 0 "[ .]" 1
508 1 18 A H2 1 19 G H1' 2.750 . 4.130 3.676 2.644 4.238 0.108 3 0 "[ .]" 1
509 1 19 G H2' 1 19 G H8 2.870 . 4.310 4.080 3.861 4.269 . 0 0 "[ .]" 1
510 1 19 G H3' 2 8 THR MG 3.190 . 4.780 2.252 1.993 2.577 . 0 0 "[ .]" 1
511 1 19 G Q5' 2 8 THR MG 3.360 . 5.040 2.299 2.224 2.372 . 0 0 "[ .]" 1
512 1 19 G H4' 2 8 THR MG 3.800 . 5.700 4.412 4.219 4.576 . 0 0 "[ .]" 1
513 1 20 C H2' 1 20 C H5 3.150 . 4.720 4.906 4.852 4.965 0.245 1 0 "[ .]" 1
514 1 20 C H5 2 10 GLY HA3 3.140 . 4.710 4.601 4.145 4.826 0.116 5 0 "[ .]" 1
515 1 20 C H3' 2 10 GLY HA3 2.970 . 4.460 3.190 2.636 3.759 . 0 0 "[ .]" 1
516 1 20 C H6 2 10 GLY HA3 3.240 . 4.860 4.134 3.524 4.532 . 0 0 "[ .]" 1
517 1 21 U H2' 1 21 U H3' 2.190 . 3.280 2.315 2.255 2.382 . 0 0 "[ .]" 1
518 1 21 U H2' 1 22 C H5 3.200 . 4.800 4.238 3.791 4.715 . 0 0 "[ .]" 1
519 1 21 U H5 2 10 GLY HA3 2.540 . 3.810 2.799 2.162 3.075 . 0 0 "[ .]" 1
520 1 21 U H5 2 10 GLY HA2 2.420 . 3.630 2.933 2.286 3.371 . 0 0 "[ .]" 1
521 1 22 C H5' 1 22 C H6 3.020 . 4.530 4.404 4.061 4.594 0.064 1 0 "[ .]" 1
522 1 22 C H2' 1 23 C H6 2.390 . 3.590 2.091 1.972 2.314 . 0 0 "[ .]" 1
523 1 22 C H3' 1 23 C H5 2.960 . 4.440 2.041 1.964 2.132 0.036 3 0 "[ .]" 1
524 1 22 C H2' 1 23 C H5 2.800 . 4.200 2.998 2.486 3.417 . 0 0 "[ .]" 1
525 1 23 C H3' 1 23 C H5' 3.060 . 4.590 3.712 3.650 3.787 . 0 0 "[ .]" 1
526 1 23 C H2' 1 23 C H5 2.960 . 5.000 5.219 5.028 5.398 0.398 2 0 "[ .]" 1
527 1 24 G H1' 1 24 G H2' 2.270 . 3.410 2.844 2.803 2.870 . 0 0 "[ .]" 1
528 1 25 A H1' 1 25 A H4' 2.590 . 3.880 3.420 3.129 3.608 . 0 0 "[ .]" 1
529 1 26 G H2' 1 26 G H8 2.420 . 3.630 3.729 3.565 3.849 0.219 3 0 "[ .]" 1
530 1 26 G H2' 1 27 C H5 2.850 . 4.280 3.232 2.928 3.582 . 0 0 "[ .]" 1
531 1 26 G H2' 1 27 C H6 2.560 . 3.840 1.932 1.831 1.988 . 0 0 "[ .]" 1
532 1 2 G Q5' 1 2 G H8 4.500 . 6.500 3.553 2.567 3.907 . 0 0 "[ .]" 1
533 1 2 G H3' 1 2 G Q5' 4.500 . 6.500 2.726 2.108 3.031 . 0 0 "[ .]" 1
534 1 2 G H3' 1 3 C H6 4.500 . 6.500 2.695 2.141 3.308 . 0 0 "[ .]" 1
535 1 2 G H2' 1 3 C H1' 4.500 . 6.500 3.369 3.129 3.599 . 0 0 "[ .]" 1
536 1 2 G H2' 1 3 C Q5' 4.500 . 6.500 3.690 3.279 4.520 . 0 0 "[ .]" 1
537 1 3 C H3' 1 3 C H6 2.700 . 3.500 3.266 2.682 3.587 0.087 3 0 "[ .]" 1
538 1 3 C H2' 1 3 C H6 4.000 . 5.000 4.166 3.786 4.471 . 0 0 "[ .]" 1
539 1 3 C H1' 1 3 C H2' 2.700 . 3.500 2.780 2.728 2.826 . 0 0 "[ .]" 1
540 1 3 C H1' 1 3 C H3' 4.500 . 6.500 3.769 3.676 3.849 . 0 0 "[ .]" 1
541 1 3 C H2' 1 4 U H6 2.700 . 3.500 1.946 1.820 2.114 0.080 4 0 "[ .]" 1
542 1 3 C H3' 1 4 U H6 4.500 . 6.500 2.882 2.508 3.265 . 0 0 "[ .]" 1
543 1 4 U H2' 1 4 U H6 4.500 . 6.500 4.137 3.533 4.435 . 0 0 "[ .]" 1
544 1 4 U Q5' 1 4 U H6 4.500 . 6.500 3.194 2.241 4.033 . 0 0 "[ .]" 1
545 1 4 U H3' 1 4 U H5 4.500 . 6.500 5.009 4.402 5.471 . 0 0 "[ .]" 1
546 1 4 U H2' 1 5 C H1' 4.500 . 6.500 4.490 3.989 5.151 . 0 0 "[ .]" 1
547 1 4 U H2' 1 4 U H3' 2.700 . 3.500 2.342 2.259 2.453 . 0 0 "[ .]" 1
548 1 4 U H3' 1 4 U Q5' 4.000 . 5.000 2.426 2.208 2.599 . 0 0 "[ .]" 1
549 1 3 C H6 1 4 U H6 4.500 . 6.500 4.780 4.404 5.442 . 0 0 "[ .]" 1
550 1 4 U H5 1 5 C H5 4.500 . 6.500 4.036 3.764 4.357 . 0 0 "[ .]" 1
551 1 5 C H2' 1 6 G H1' 4.500 . 6.500 3.684 3.371 4.189 . 0 0 "[ .]" 1
552 1 5 C H3' 1 6 G H8 4.000 . 5.000 2.845 2.079 3.254 . 0 0 "[ .]" 1
553 1 5 C H6 1 6 G H8 4.500 . 6.500 4.926 4.057 5.419 . 0 0 "[ .]" 1
554 1 6 G H4' 1 6 G H8 4.500 . 6.500 4.771 4.653 5.053 . 0 0 "[ .]" 1
555 1 5 C H2' 1 6 G H3' 4.500 . 6.500 4.609 4.482 4.720 . 0 0 "[ .]" 1
556 1 6 G H2' 1 6 G H4' 4.500 . 6.500 3.766 3.593 3.916 . 0 0 "[ .]" 1
557 1 8 G H4' 1 8 G H8 4.500 . 6.500 4.356 4.215 4.487 . 0 0 "[ .]" 1
558 1 7 U H3' 1 8 G H8 4.500 . 6.500 5.291 5.155 5.414 . 0 0 "[ .]" 1
559 1 8 G H1' 1 10 A H8 4.500 . 6.500 5.871 5.322 6.593 0.093 2 0 "[ .]" 1
560 1 8 G H1' 1 8 G Q5' 4.500 . 6.500 4.231 4.047 4.327 . 0 0 "[ .]" 1
561 1 8 G H4' 1 8 G Q5' 4.000 . 5.000 2.300 2.137 2.459 . 0 0 "[ .]" 1
562 1 6 G H2' 1 7 U H4' 4.500 . 6.500 4.900 4.772 5.256 . 0 0 "[ .]" 1
563 1 7 U Q5' 1 8 G H8 4.500 . 6.500 3.968 2.959 4.508 . 0 0 "[ .]" 1
564 1 7 U Q5' 1 7 U H6 4.000 . 5.000 3.109 2.958 3.609 . 0 0 "[ .]" 1
565 1 9 U H2' 1 10 A H8 4.500 . 6.500 5.283 4.948 5.946 . 0 0 "[ .]" 1
566 1 10 A H3' 1 10 A H4' 2.700 . 3.500 3.097 3.089 3.105 . 0 0 "[ .]" 1
567 1 10 A H3' 1 11 G H8 4.000 . 5.000 3.114 2.651 3.753 . 0 0 "[ .]" 1
568 1 10 A H4' 1 10 A Q5' 4.000 . 5.000 2.562 2.518 2.597 . 0 0 "[ .]" 1
569 1 10 A H4' 1 11 G H8 4.500 . 6.500 5.457 5.085 5.742 . 0 0 "[ .]" 1
570 1 11 G Q5' 1 11 G H8 4.500 . 6.500 3.510 2.648 3.959 . 0 0 "[ .]" 1
571 1 11 G H2' 1 12 C H1' 4.500 . 6.500 3.581 3.158 4.132 . 0 0 "[ .]" 1
572 1 11 G H3' 1 11 G H4' 4.000 . 5.000 3.087 3.069 3.100 . 0 0 "[ .]" 1
573 1 12 C H2' 1 12 C H3' 2.700 . 3.500 2.367 2.283 2.405 . 0 0 "[ .]" 1
574 1 12 C H3' 1 12 C H4' 2.700 . 3.500 3.090 3.078 3.103 . 0 0 "[ .]" 1
575 1 11 G H2' 1 12 C Q5' 4.000 . 5.000 3.854 3.353 4.480 . 0 0 "[ .]" 1
576 1 12 C H3' 1 12 C Q5' 4.500 . 6.500 2.290 2.219 2.385 . 0 0 "[ .]" 1
577 1 12 C Q5' 1 12 C H6 4.500 . 6.500 2.887 2.397 3.537 . 0 0 "[ .]" 1
578 1 12 C H2' 1 12 C H5 4.500 . 6.500 5.625 5.482 5.895 . 0 0 "[ .]" 1
579 1 13 U H6 1 14 C H5 4.500 . 6.500 4.707 4.442 4.984 . 0 0 "[ .]" 1
580 1 13 U H6 1 14 C H6 4.500 . 6.500 5.335 5.054 5.796 . 0 0 "[ .]" 1
581 1 13 U H1' 1 13 U H5 4.500 . 6.500 5.230 5.186 5.327 . 0 0 "[ .]" 1
582 1 12 C H1' 1 13 U H5 4.500 . 6.500 5.751 5.149 6.179 . 0 0 "[ .]" 1
583 1 13 U H1' 1 13 U H6 4.000 . 5.000 3.499 3.450 3.569 . 0 0 "[ .]" 1
584 1 13 U H3' 1 14 C H6 4.000 . 5.000 3.566 3.466 3.724 . 0 0 "[ .]" 1
585 1 13 U H4' 1 14 C H6 4.500 . 6.500 6.462 6.322 6.542 0.042 1 0 "[ .]" 1
586 1 13 U H1' 1 14 C H6 4.500 . 6.500 5.959 5.428 6.495 . 0 0 "[ .]" 1
587 1 13 U H2' 1 14 C H5 4.500 . 6.500 4.549 3.625 5.100 . 0 0 "[ .]" 1
588 1 14 C H3' 1 14 C H5 4.500 . 6.500 6.690 6.648 6.766 0.266 1 0 "[ .]" 1
589 1 14 C H2' 1 14 C H4' 4.000 . 5.000 3.774 3.729 3.885 . 0 0 "[ .]" 1
590 1 14 C H3' 1 14 C H4' 2.700 . 3.500 2.894 2.827 2.974 . 0 0 "[ .]" 1
591 1 14 C H3' 1 14 C Q5' 4.000 . 5.000 2.342 2.222 2.461 . 0 0 "[ .]" 1
592 1 14 C Q5' 1 14 C H6 4.500 . 6.500 3.653 2.954 4.402 . 0 0 "[ .]" 1
593 1 14 C H4' 1 15 A H8 4.500 . 6.500 4.330 3.934 5.451 . 0 0 "[ .]" 1
594 1 13 U H1' 1 14 C H4' 4.500 . 6.500 6.218 5.743 6.584 0.084 2 0 "[ .]" 1
595 1 14 C H3' 1 15 A H8 4.500 . 6.500 4.474 4.323 4.871 . 0 0 "[ .]" 1
596 1 13 U H2' 1 14 C H4' 4.000 . 5.000 4.051 3.656 4.610 . 0 0 "[ .]" 1
597 1 13 U H1' 1 14 C Q5' 4.000 . 5.000 4.314 4.219 4.598 . 0 0 "[ .]" 1
598 1 14 C H1' 1 14 C Q5' 4.500 . 6.500 4.371 4.342 4.435 . 0 0 "[ .]" 1
599 1 13 U H3' 1 14 C Q5' 4.500 . 6.500 3.555 3.171 4.081 . 0 0 "[ .]" 1
600 1 13 U H2' 1 14 C Q5' 2.700 . 3.500 2.341 1.950 3.142 0.050 3 0 "[ .]" 1
601 1 14 C H2' 1 14 C Q5' 4.500 . 6.500 3.419 3.330 3.494 . 0 0 "[ .]" 1
602 1 15 A H1' 1 15 A Q5' 4.500 . 6.500 4.180 4.146 4.225 . 0 0 "[ .]" 1
603 1 15 A H2' 1 16 U H1' 4.500 . 6.500 5.978 3.963 6.624 0.124 2 0 "[ .]" 1
604 1 15 A H2' 1 15 A Q5' 4.500 . 6.500 3.296 2.828 3.533 . 0 0 "[ .]" 1
605 1 14 C H2' 1 15 A Q5' 4.500 . 6.500 5.281 5.207 5.499 . 0 0 "[ .]" 1
606 1 15 A H3' 1 15 A H4' 2.700 . 3.500 2.896 2.668 2.974 . 0 0 "[ .]" 1
607 1 15 A H2' 1 15 A H4' 4.500 . 6.500 3.614 3.496 3.772 . 0 0 "[ .]" 1
608 1 14 C H1' 1 15 A Q5' 4.500 . 6.500 4.243 3.868 4.515 . 0 0 "[ .]" 1
609 1 15 A H4' 1 16 U H5 4.500 . 6.500 5.792 4.293 6.250 . 0 0 "[ .]" 1
610 1 16 U H3' 1 16 U H5 4.000 . 6.000 5.239 5.141 5.356 . 0 0 "[ .]" 1
611 1 15 A H4' 1 16 U H1' 4.500 . 6.500 6.711 6.545 7.090 0.590 1 1 "[+ .]" 1
612 1 16 U H2' 1 16 U H3' 2.700 . 3.500 2.071 2.015 2.158 . 0 0 "[ .]" 1
613 1 16 U H2' 1 16 U Q5' 4.000 . 5.000 4.104 3.678 4.517 . 0 0 "[ .]" 1
614 1 16 U H2' 1 17 U H6 4.500 . 6.500 4.446 4.269 4.733 . 0 0 "[ .]" 1
615 1 16 U H4' 1 17 U H2' 4.500 . 6.500 6.039 5.540 6.544 0.044 2 0 "[ .]" 1
616 1 16 U H2' 1 16 U H4' 4.000 . 5.000 3.887 3.796 3.937 . 0 0 "[ .]" 1
617 1 16 U H4' 1 17 U H1' 4.500 . 6.500 4.600 4.051 5.036 . 0 0 "[ .]" 1
618 1 16 U Q5' 1 16 U H6 4.500 . 6.500 3.367 2.644 4.121 . 0 0 "[ .]" 1
619 1 16 U H4' 1 17 U H6 4.000 . 5.000 4.876 4.472 5.243 0.243 2 0 "[ .]" 1
620 1 17 U H1' 1 17 U Q5' 4.500 . 6.500 4.215 4.075 4.300 . 0 0 "[ .]" 1
621 1 17 U H2' 1 17 U Q5' 4.500 . 6.500 2.736 2.392 3.099 . 0 0 "[ .]" 1
622 1 17 U H3' 1 17 U H4' 2.700 . 3.500 2.853 2.779 2.942 . 0 0 "[ .]" 1
623 1 16 U H1' 1 17 U H4' 4.500 . 6.500 4.836 3.838 6.002 . 0 0 "[ .]" 1
624 1 17 U H2' 1 17 U H4' 4.000 . 5.000 3.761 3.572 3.887 . 0 0 "[ .]" 1
625 1 15 A H2 1 18 A H4' 4.500 . 6.500 7.082 6.927 7.265 0.765 3 3 "[ +-*]" 1
626 1 18 A H2' 1 19 G H1' 4.500 . 6.500 6.136 5.966 6.393 . 0 0 "[ .]" 1
627 1 19 G H1' 1 19 G H3' 4.500 . 6.500 3.784 3.698 3.818 . 0 0 "[ .]" 1
628 1 19 G H2' 1 20 C H5 4.000 . 5.000 3.512 3.040 3.986 . 0 0 "[ .]" 1
629 1 19 G H2' 1 19 G H3' 2.700 . 3.500 2.319 2.301 2.325 . 0 0 "[ .]" 1
630 1 19 G H3' 1 19 G H4' 4.000 . 5.000 3.096 3.074 3.118 . 0 0 "[ .]" 1
631 1 19 G H3' 1 20 C H5 4.000 . 5.000 3.954 3.334 4.540 . 0 0 "[ .]" 1
632 1 19 G H3' 1 19 G Q5' 4.000 . 5.000 2.332 2.279 2.380 . 0 0 "[ .]" 1
633 1 20 C H2' 1 20 C H6 4.500 . 6.500 3.494 3.432 3.591 . 0 0 "[ .]" 1
634 1 20 C H3' 1 20 C H5 4.500 . 6.500 4.969 4.674 5.071 . 0 0 "[ .]" 1
635 1 19 G H2' 1 20 C H1' 4.500 . 6.500 4.053 3.834 4.351 . 0 0 "[ .]" 1
636 1 20 C H1' 1 20 C H4' 4.000 . 5.000 3.211 3.052 3.494 . 0 0 "[ .]" 1
637 1 21 U H1' 1 21 U H4' 4.000 . 5.000 3.363 3.177 3.558 . 0 0 "[ .]" 1
638 1 20 C H2' 1 21 U H5 4.500 . 6.500 3.663 3.320 4.117 . 0 0 "[ .]" 1
639 1 21 U H2' 1 22 C H1' 4.500 . 6.500 3.533 3.346 3.688 . 0 0 "[ .]" 1
640 1 22 C H4' 1 22 C H6 4.000 . 5.000 4.202 4.183 4.220 . 0 0 "[ .]" 1
641 1 22 C H2' 1 22 C H6 4.500 . 6.500 4.464 4.308 4.565 . 0 0 "[ .]" 1
642 1 22 C H4' 1 22 C H5 4.500 . 6.500 6.538 6.524 6.557 0.057 5 0 "[ .]" 1
643 1 22 C H2' 1 22 C H3' 2.700 . 3.500 2.408 2.388 2.433 . 0 0 "[ .]" 1
644 1 22 C H3' 1 22 C H4' 2.700 . 3.500 3.050 3.032 3.063 . 0 0 "[ .]" 1
645 1 21 U H2' 1 22 C H3' 4.500 . 6.500 4.795 4.632 4.943 . 0 0 "[ .]" 1
646 1 22 C H3' 1 22 C Q5' 4.000 . 5.000 2.385 2.171 2.613 . 0 0 "[ .]" 1
647 1 22 C Q5' 1 22 C H6 4.500 . 6.500 3.078 2.708 3.776 . 0 0 "[ .]" 1
648 1 22 C Q5' 1 23 C H6 4.500 . 6.500 4.314 3.820 4.566 . 0 0 "[ .]" 1
649 1 23 C H3' 1 23 C H5 4.500 . 6.500 4.885 4.704 5.052 . 0 0 "[ .]" 1
650 1 23 C H1' 1 23 C H3' 4.000 . 5.000 3.886 3.834 3.942 . 0 0 "[ .]" 1
651 1 23 C H2' 1 23 C H6 4.500 . 6.500 3.837 3.582 4.025 . 0 0 "[ .]" 1
652 1 23 C H2' 1 24 G H1' 4.500 . 6.500 3.439 3.157 3.813 . 0 0 "[ .]" 1
653 1 23 C H2' 1 23 C H4' 4.500 . 6.500 3.891 3.766 3.963 . 0 0 "[ .]" 1
654 1 23 C H2' 1 23 C H3' 4.000 . 5.000 2.309 2.285 2.358 . 0 0 "[ .]" 1
655 1 23 C H3' 1 23 C H4' 4.000 . 5.000 3.065 3.043 3.078 . 0 0 "[ .]" 1
656 1 24 G H3' 1 24 G H4' 2.700 . 3.500 3.086 3.073 3.111 . 0 0 "[ .]" 1
657 1 24 G H2' 1 24 G H3' 2.700 . 3.500 2.370 2.329 2.406 . 0 0 "[ .]" 1
658 1 24 G H2' 1 25 A H1' 4.500 . 6.500 4.141 3.659 4.668 . 0 0 "[ .]" 1
659 1 24 G H1' 1 24 G Q5' 4.500 . 6.500 4.364 4.308 4.483 . 0 0 "[ .]" 1
660 1 24 G H2' 1 24 G H8 4.500 . 6.500 4.447 4.325 4.606 . 0 0 "[ .]" 1
661 1 24 G H4' 1 24 G H8 4.500 . 6.500 4.421 4.321 4.479 . 0 0 "[ .]" 1
662 1 24 G H1' 1 24 G H4' 4.000 . 5.000 3.286 2.995 3.417 . 0 0 "[ .]" 1
663 1 24 G H2' 1 25 A H8 2.700 . 3.500 2.410 1.882 3.560 0.060 3 0 "[ .]" 1
664 1 24 G H3' 1 25 A H8 4.000 . 5.000 2.828 2.699 2.935 . 0 0 "[ .]" 1
665 1 24 G H4' 1 25 A H8 4.500 . 6.500 5.466 5.240 5.648 . 0 0 "[ .]" 1
666 1 25 A Q5' 1 25 A H8 4.500 . 6.500 3.464 3.239 3.862 . 0 0 "[ .]" 1
667 1 25 A H2' 1 26 G Q5' 4.500 . 6.500 3.573 2.829 4.276 . 0 0 "[ .]" 1
668 1 25 A H2' 1 25 A H8 4.500 . 6.500 4.207 3.694 4.413 . 0 0 "[ .]" 1
669 1 25 A H4' 1 25 A H8 4.000 . 5.000 4.354 4.139 4.612 . 0 0 "[ .]" 1
670 1 25 A H2 1 25 A H2' 4.500 . 6.500 4.602 4.307 4.899 . 0 0 "[ .]" 1
671 1 26 G Q5' 1 26 G H8 4.500 . 6.500 3.504 2.837 4.207 . 0 0 "[ .]" 1
672 1 26 G H1' 1 26 G H2' 2.700 . 3.500 2.836 2.762 2.878 . 0 0 "[ .]" 1
673 1 26 G H1' 1 26 G H4' 4.000 . 5.000 3.217 3.046 3.297 . 0 0 "[ .]" 1
674 1 26 G H2' 1 26 G H3' 2.700 . 3.500 2.310 2.260 2.351 . 0 0 "[ .]" 1
675 1 27 C H3' 1 27 C H6 2.700 . 3.500 3.146 2.503 3.419 . 0 0 "[ .]" 1
676 1 27 C H1' 1 28 C H6 4.000 . 5.000 4.808 4.530 4.970 . 0 0 "[ .]" 1
677 1 28 C H1' 1 28 C H6 4.000 . 5.000 3.408 3.307 3.502 . 0 0 "[ .]" 1
678 1 27 C H2' 1 28 C H6 2.700 . 3.500 2.387 1.984 2.993 . 0 0 "[ .]" 1
679 1 27 C H3' 1 28 C H6 4.000 . 5.000 3.345 2.905 3.764 . 0 0 "[ .]" 1
680 1 28 C Q5' 1 28 C H6 4.500 . 6.500 2.594 2.211 2.811 . 0 0 "[ .]" 1
681 1 27 C H4' 1 28 C H6 4.500 . 6.500 5.827 5.581 6.134 . 0 0 "[ .]" 1
682 1 27 C H2' 1 28 C H5 4.000 . 5.000 3.934 3.090 5.056 0.056 5 0 "[ .]" 1
683 1 28 C H2' 1 28 C H5 4.500 . 6.500 5.673 5.335 5.886 . 0 0 "[ .]" 1
684 1 28 C H1' 1 28 C Q5' 4.500 . 6.500 4.276 4.200 4.391 . 0 0 "[ .]" 1
685 1 28 C H2' 1 28 C H3' 2.700 . 3.500 2.315 2.212 2.381 . 0 0 "[ .]" 1
686 1 28 C H2' 1 28 C H4' 2.700 . 3.900 3.955 3.909 4.011 0.111 3 0 "[ .]" 1
687 1 28 C H3' 1 28 C H4' 2.700 . 3.500 3.069 3.023 3.101 . 0 0 "[ .]" 1
688 1 28 C H3' 1 28 C Q5' 4.000 . 5.000 2.261 2.183 2.333 . 0 0 "[ .]" 1
689 1 27 C H2' 1 28 C H4' 4.500 . 6.500 4.238 3.355 4.807 . 0 0 "[ .]" 1
690 1 27 C H2' 1 28 C Q5' 4.000 . 5.000 3.428 3.094 4.025 . 0 0 "[ .]" 1
691 1 28 C H4' 1 28 C Q5' 2.700 . 3.500 2.482 2.371 2.591 . 0 0 "[ .]" 1
692 1 28 C H2' 1 28 C Q5' 4.500 . 6.500 4.064 3.890 4.204 . 0 0 "[ .]" 1
693 1 27 C H3' 1 27 C H4' 2.700 . 3.500 3.076 3.067 3.087 . 0 0 "[ .]" 1
694 1 27 C H2' 1 27 C H3' 2.700 . 3.500 2.379 2.356 2.427 . 0 0 "[ .]" 1
695 1 27 C H3' 1 27 C H5 4.500 . 6.500 5.003 4.299 5.213 . 0 0 "[ .]" 1
696 1 27 C H1' 1 27 C H4' 4.000 . 5.000 3.314 3.116 3.394 . 0 0 "[ .]" 1
697 1 27 C H2' 1 27 C H6 4.500 . 6.500 3.975 3.738 4.244 . 0 0 "[ .]" 1
698 1 27 C Q5' 1 27 C H6 4.500 . 6.500 3.613 3.468 3.929 . 0 0 "[ .]" 1
699 1 26 G H2' 1 27 C Q5' 4.500 . 6.500 3.739 3.433 3.975 . 0 0 "[ .]" 1
700 1 24 G Q5' 1 24 G H8 4.500 . 6.500 3.266 2.725 3.978 . 0 0 "[ .]" 1
701 1 17 U H3' 1 17 U H5 4.500 . 6.500 6.481 6.362 6.582 0.082 4 0 "[ .]" 1
702 1 17 U H1' 1 17 U H5 4.500 . 6.500 5.502 5.464 5.539 . 0 0 "[ .]" 1
703 1 7 U H3 1 10 A H8 3.000 . 3.000 2.962 2.638 3.164 0.164 4 0 "[ .]" 1
704 1 7 U H3 1 8 G H1 4.000 . 5.000 4.265 3.534 4.992 . 0 0 "[ .]" 1
705 1 10 A H8 2 6 ARG QH1 4.000 3.000 5.000 4.071 3.586 4.519 . 0 0 "[ .]" 1
706 1 6 G H8 2 13 ARG QD 4.000 . 5.500 4.145 3.798 4.330 . 0 0 "[ .]" 1
707 1 18 A H8 2 4 ARG QH1 4.000 . 5.500 3.185 2.608 4.281 . 0 0 "[ .]" 1
708 1 20 C H41 2 6 ARG HD2 4.000 . 5.500 4.597 4.462 4.830 . 0 0 "[ .]" 1
709 1 20 C H41 2 6 ARG HD3 4.000 . 5.500 3.156 2.953 3.415 . 0 0 "[ .]" 1
710 1 20 C H42 2 6 ARG HD2 4.000 . 5.500 4.734 4.680 4.839 . 0 0 "[ .]" 1
711 1 20 C H42 2 6 ARG HD3 4.000 . 5.500 3.493 3.315 3.647 . 0 0 "[ .]" 1
712 1 24 G H1 2 13 ARG QD 4.000 . 5.500 4.997 4.711 5.143 . 0 0 "[ .]" 1
713 2 9 ARG QD 2 13 ARG HE 4.000 . 5.000 2.917 2.570 3.225 . 0 0 "[ .]" 1
714 1 6 G H8 2 13 ARG HE 4.000 . 5.500 4.024 3.433 4.347 . 0 0 "[ .]" 1
715 1 12 C H5 2 6 ARG HE 4.000 . 5.500 4.268 3.376 5.530 0.030 1 0 "[ .]" 1
716 2 9 ARG QB 2 13 ARG HA 4.000 . 5.500 4.259 3.928 4.519 . 0 0 "[ .]" 1
717 2 9 ARG HA 2 13 ARG QB 4.000 . 5.500 4.084 3.813 4.384 . 0 0 "[ .]" 1
718 1 3 C H42 1 3 C H5 2.680 . 3.480 2.476 2.412 2.577 . 0 0 "[ .]" 1
719 1 10 A H61 1 22 C H41 2.890 2.020 3.760 3.676 3.443 3.999 0.239 4 0 "[ .]" 1
720 1 12 C H42 1 12 C H5 2.620 . 3.410 2.720 2.404 3.513 0.103 2 0 "[ .]" 1
721 1 18 A H1' 2 4 ARG QH1 2.480 . 3.880 3.055 2.622 3.507 . 0 0 "[ .]" 1
722 1 18 A H1' 2 4 ARG QH2 2.300 . 4.300 2.958 2.787 3.408 . 0 0 "[ .]" 1
723 1 20 C H42 1 20 C H5 . 2.600 3.430 2.542 2.497 2.573 0.103 5 0 "[ .]" 1
724 1 20 C H6 2 8 THR HG1 2.920 2.040 3.800 3.835 3.503 3.990 0.190 1 0 "[ .]" 1
725 1 20 C H5 2 8 THR HG1 2.750 . 3.570 3.410 3.191 3.579 0.009 4 0 "[ .]" 1
726 1 20 C H5 2 10 GLY H 2.670 . 3.470 2.850 2.476 3.062 . 0 0 "[ .]" 1
727 1 20 C H6 2 10 GLY H 2.360 . 3.660 3.660 3.328 3.837 0.177 5 0 "[ .]" 1
728 1 22 C H42 1 22 C H5 2.500 . 3.250 2.334 2.270 2.548 . 0 0 "[ .]" 1
729 1 22 C H41 1 23 C H42 2.850 . 3.700 3.974 3.892 4.089 0.389 3 0 "[ .]" 1
730 1 22 C H42 1 23 C H42 2.500 . 3.250 3.354 3.316 3.425 0.175 2 0 "[ .]" 1
731 1 22 C H42 1 23 C H41 2.970 2.080 3.860 3.092 2.856 3.243 . 0 0 "[ .]" 1
732 1 22 C H42 2 9 ARG HG2 2.720 . 3.540 2.347 2.258 2.469 . 0 0 "[ .]" 1
733 1 22 C H42 2 9 ARG HB2 3.220 2.250 4.190 3.401 3.325 3.483 . 0 0 "[ .]" 1
734 1 22 C H42 2 9 ARG HG3 2.830 . 3.680 3.773 3.739 3.841 0.161 2 0 "[ .]" 1
735 1 22 C H42 2 9 ARG HB3 2.740 . 3.560 1.801 1.749 1.840 0.171 1 0 "[ .]" 1
736 1 27 C H42 1 27 C H5 2.720 . 3.540 2.454 2.306 2.549 . 0 0 "[ .]" 1
737 1 28 C H42 1 28 C H5 2.670 . 3.470 2.458 2.335 2.540 . 0 0 "[ .]" 1
738 2 2 GLY QA 2 3 PRO HD3 2.480 . 3.220 2.614 2.093 2.797 . 0 0 "[ .]" 1
739 2 2 GLY QA 2 3 PRO HD2 2.520 . 3.280 2.829 2.712 2.972 . 0 0 "[ .]" 1
740 2 3 PRO HA 2 3 PRO HG2 2.980 2.090 3.870 3.996 3.900 4.175 0.305 1 0 "[ .]" 1
741 2 3 PRO HA 2 3 PRO HG3 3.300 2.310 4.290 3.964 3.867 4.009 . 0 0 "[ .]" 1
742 2 3 PRO HA 2 4 ARG H 2.520 . 3.280 3.438 3.328 3.526 0.246 3 0 "[ .]" 1
743 2 4 ARG HE 2 4 ARG HG3 2.490 . 3.490 2.125 2.040 2.240 . 0 0 "[ .]" 1
744 2 4 ARG HE 2 4 ARG QH1 2.570 . 3.340 3.206 3.117 3.277 . 0 0 "[ .]" 1
745 2 4 ARG HE 2 4 ARG HG2 2.470 . 3.210 3.036 1.836 3.427 0.217 1 0 "[ .]" 1
746 2 4 ARG H 2 4 ARG HE 2.790 . 3.630 3.524 2.464 3.945 0.315 5 0 "[ .]" 1
747 2 4 ARG HD3 2 4 ARG HG3 2.840 . 3.690 2.790 2.552 3.078 . 0 0 "[ .]" 1
748 2 4 ARG HA 2 4 ARG HB2 3.110 2.180 4.040 2.742 2.429 2.963 . 0 0 "[ .]" 1
749 2 4 ARG HA 2 4 ARG HB3 2.980 2.090 3.870 2.335 2.140 2.495 . 0 0 "[ .]" 1
750 2 4 ARG HE 2 4 ARG QH2 2.580 . 2.980 2.369 2.198 2.527 . 0 0 "[ .]" 1
751 2 4 ARG HB3 2 4 ARG HE 2.630 . 3.420 3.515 2.908 3.768 0.348 3 0 "[ .]" 1
752 2 4 ARG HD2 2 4 ARG HG3 2.650 . 3.450 2.929 2.570 3.103 . 0 0 "[ .]" 1
753 2 4 ARG HD2 2 4 ARG HE 3.170 2.220 4.120 2.641 2.259 2.890 . 0 0 "[ .]" 1
754 2 4 ARG HD2 2 4 ARG HG2 2.430 . 3.160 2.819 2.579 3.103 . 0 0 "[ .]" 1
755 2 4 ARG HB2 2 4 ARG HD2 2.680 . 3.480 2.988 2.586 3.514 0.034 5 0 "[ .]" 1
756 2 4 ARG HD3 2 4 ARG HG2 2.520 . 3.280 2.313 2.038 2.455 . 0 0 "[ .]" 1
757 2 4 ARG HB2 2 4 ARG HE 2.800 . 3.640 3.340 2.582 3.851 0.211 2 0 "[ .]" 1
758 2 4 ARG HB3 2 4 ARG HD2 2.810 . 3.650 2.890 2.314 3.800 0.150 3 0 "[ .]" 1
759 2 4 ARG HB2 2 5 PRO HD3 2.950 2.060 3.840 3.850 3.585 4.134 0.294 4 0 "[ .]" 1
760 2 4 ARG HA 2 5 PRO HD3 2.360 . 3.070 2.675 2.307 2.968 . 0 0 "[ .]" 1
761 2 4 ARG HB2 2 5 PRO HD2 2.790 . 3.630 2.799 2.051 3.682 0.052 4 0 "[ .]" 1
762 2 4 ARG HA 2 5 PRO HD2 2.440 . 3.170 3.033 2.768 3.304 0.134 1 0 "[ .]" 1
763 2 5 PRO HB2 2 5 PRO HD2 3.480 2.440 4.520 3.477 3.018 4.144 . 0 0 "[ .]" 1
764 2 5 PRO HA 2 5 PRO HG2 2.980 2.090 3.870 3.975 3.914 4.069 0.199 4 0 "[ .]" 1
765 2 5 PRO HD2 2 5 PRO HG3 2.670 . 3.470 2.901 2.749 3.019 . 0 0 "[ .]" 1
766 2 5 PRO HA 2 5 PRO HB2 2.500 . 3.250 2.948 2.801 3.071 . 0 0 "[ .]" 1
767 2 5 PRO HB2 2 5 PRO HD3 3.100 2.170 4.030 3.972 3.921 4.019 . 0 0 "[ .]" 1
768 2 5 PRO HD3 2 5 PRO HG2 2.460 . 3.200 2.891 2.770 3.063 . 0 0 "[ .]" 1
769 2 5 PRO HA 2 6 ARG H 2.490 . 3.240 2.567 2.326 3.029 . 0 0 "[ .]" 1
770 2 5 PRO HB3 2 6 ARG H 3.050 2.130 3.970 3.335 2.574 4.236 0.266 2 0 "[ .]" 1
771 2 5 PRO HB2 2 6 ARG H 3.440 2.410 4.470 3.220 2.340 4.035 0.070 1 0 "[ .]" 1
772 2 6 ARG HE 2 6 ARG QH1 3.060 2.140 3.540 3.192 3.145 3.245 . 0 0 "[ .]" 1
773 2 6 ARG H 2 6 ARG QB 2.870 2.010 3.730 2.853 2.626 3.338 . 0 0 "[ .]" 1
774 2 6 ARG QB 2 6 ARG QH1 2.690 . 3.500 3.068 2.973 3.191 . 0 0 "[ .]" 1
775 2 6 ARG H 2 6 ARG QG 2.640 . 3.430 2.222 1.981 2.725 . 0 0 "[ .]" 1
776 2 6 ARG QG 2 6 ARG QH1 2.620 . 4.620 3.015 2.737 3.445 . 0 0 "[ .]" 1
777 2 6 ARG QB 2 6 ARG HD2 2.690 . 3.500 1.874 1.797 1.919 0.083 5 0 "[ .]" 1
778 2 6 ARG QB 2 6 ARG HE 2.750 . 3.570 3.632 3.593 3.683 0.113 4 0 "[ .]" 1
779 2 6 ARG HD3 2 6 ARG QH1 2.690 . 3.500 3.073 2.763 3.239 . 0 0 "[ .]" 1
780 2 6 ARG HD3 2 6 ARG HE 2.490 . 3.240 2.404 2.244 2.583 . 0 0 "[ .]" 1
781 2 6 ARG HD2 2 6 ARG HE 2.520 . 3.280 2.903 2.845 2.955 . 0 0 "[ .]" 1
782 2 6 ARG HA 2 7 GLY H 2.710 . 3.520 2.081 1.979 2.206 . 0 0 "[ .]" 1
783 2 6 ARG QB 2 8 THR H 3.060 2.140 3.980 2.895 2.721 3.064 . 0 0 "[ .]" 1
784 2 6 ARG HA 2 8 THR H 2.710 . 3.520 3.806 3.720 3.933 0.413 3 0 "[ .]" 1
785 2 6 ARG QG 2 8 THR H 3.260 2.280 4.760 4.351 4.278 4.435 . 0 0 "[ .]" 1
786 2 6 ARG HE 2 15 ILE MD 4.300 3.010 5.590 4.301 4.190 4.498 . 0 0 "[ .]" 1
787 2 6 ARG H 2 15 ILE MD 4.800 3.360 6.240 4.476 3.930 5.047 . 0 0 "[ .]" 1
788 2 6 ARG QH1 2 15 ILE MD 3.540 2.480 4.600 3.464 3.319 3.586 . 0 0 "[ .]" 1
789 2 7 GLY H 2 7 GLY HA2 3.220 2.250 4.190 2.891 2.867 2.906 . 0 0 "[ .]" 1
790 2 7 GLY H 2 7 GLY HA3 3.260 2.280 4.240 2.202 2.173 2.225 0.107 4 0 "[ .]" 1
791 2 7 GLY H 2 8 THR H 2.620 . 3.410 2.343 2.288 2.420 . 0 0 "[ .]" 1
792 2 7 GLY HA2 2 8 THR H 2.850 . 3.700 3.595 3.576 3.623 . 0 0 "[ .]" 1
793 2 8 THR H 2 8 THR HA 2.990 2.090 3.890 2.796 2.766 2.852 . 0 0 "[ .]" 1
794 2 8 THR H 2 8 THR HB 2.700 . 3.510 3.849 3.796 3.900 0.390 1 0 "[ .]" 1
795 2 8 THR HB 2 8 THR HG1 2.480 . 3.220 2.409 2.157 2.518 . 0 0 "[ .]" 1
796 2 8 THR HG1 2 8 THR MG 2.810 . 3.650 1.783 1.714 1.955 0.256 1 0 "[ .]" 1
797 2 8 THR H 2 8 THR MG 3.190 2.230 4.150 3.079 2.917 3.229 . 0 0 "[ .]" 1
798 2 8 THR MG 2 9 ARG H 3.640 2.550 4.730 3.948 3.889 4.044 . 0 0 "[ .]" 1
799 2 8 THR HB 2 9 ARG H 2.500 . 3.250 2.392 2.251 2.454 . 0 0 "[ .]" 1
800 2 8 THR HA 2 9 ARG H 2.790 . 3.630 2.469 2.335 2.591 . 0 0 "[ .]" 1
801 2 8 THR HB 2 10 GLY H 2.600 . 4.000 3.457 2.945 3.666 . 0 0 "[ .]" 1
802 2 8 THR MG 2 10 GLY H 3.540 2.480 4.600 3.700 3.524 3.870 . 0 0 "[ .]" 1
803 2 8 THR HG1 2 10 GLY H 2.670 . 3.470 2.576 2.158 2.828 . 0 0 "[ .]" 1
804 2 8 THR HG1 2 10 GLY HA2 3.590 2.510 4.670 3.649 3.057 4.443 . 0 0 "[ .]" 1
805 2 8 THR HG1 2 12 GLY H 3.020 2.110 3.930 3.181 2.688 3.463 . 0 0 "[ .]" 1
806 2 8 THR HB 2 12 GLY H 3.610 2.530 4.690 4.731 4.659 4.796 0.106 2 0 "[ .]" 1
807 2 8 THR MG 2 12 GLY H 4.150 2.900 5.400 3.787 3.494 4.162 . 0 0 "[ .]" 1
808 2 8 THR MG 2 13 ARG H 4.010 2.810 5.210 4.470 4.230 4.588 . 0 0 "[ .]" 1
809 2 8 THR HB 2 13 ARG H 2.970 2.080 4.170 3.967 3.700 4.201 0.031 4 0 "[ .]" 1
810 2 8 THR MG 2 14 ARG H 4.060 2.840 5.280 3.926 3.531 4.238 . 0 0 "[ .]" 1
811 2 8 THR MG 2 14 ARG HG2 3.310 2.320 4.300 2.485 2.101 2.840 0.219 1 0 "[ .]" 1
812 2 8 THR HB 2 14 ARG HA 2.350 . 3.050 1.843 1.720 1.989 . 0 0 "[ .]" 1
813 2 8 THR H 2 14 ARG HA 3.160 2.210 4.110 4.274 4.203 4.374 0.264 3 0 "[ .]" 1
814 2 8 THR HG1 2 14 ARG HA 2.380 . 3.680 4.155 4.073 4.229 0.549 3 2 "[ -+ .]" 1
815 2 8 THR MG 2 15 ILE H 3.620 2.530 4.710 3.787 3.552 3.967 . 0 0 "[ .]" 1
816 2 8 THR HB 2 15 ILE H 3.560 2.490 4.630 3.670 3.547 3.908 . 0 0 "[ .]" 1
817 2 8 THR HA 2 15 ILE H 2.820 . 3.670 2.444 2.297 2.596 . 0 0 "[ .]" 1
818 2 8 THR H 2 15 ILE MD 4.000 2.800 5.200 2.765 2.605 2.879 0.195 3 0 "[ .]" 1
819 2 9 ARG H 2 9 ARG HG3 2.660 . 3.460 2.593 2.206 2.770 . 0 0 "[ .]" 1
820 2 9 ARG QD 2 9 ARG HE 2.520 . 3.280 2.379 2.201 2.504 . 0 0 "[ .]" 1
821 2 9 ARG H 2 9 ARG HB3 3.310 2.320 4.300 3.749 3.571 3.892 . 0 0 "[ .]" 1
822 2 9 ARG H 2 9 ARG QG 2.790 . 3.630 2.554 2.180 2.725 . 0 0 "[ .]" 1
823 2 9 ARG HB2 2 9 ARG HG2 2.200 . 2.860 2.987 2.963 3.002 0.142 3 0 "[ .]" 1
824 2 9 ARG H 2 9 ARG HB2 2.810 . 3.650 2.607 2.358 2.897 . 0 0 "[ .]" 1
825 2 9 ARG H 2 10 GLY H 2.780 . 3.610 2.686 2.431 2.933 . 0 0 "[ .]" 1
826 2 9 ARG QG 2 10 GLY H 3.190 2.230 4.790 4.424 4.387 4.456 . 0 0 "[ .]" 1
827 2 9 ARG H 2 15 ILE MD 4.410 3.090 5.730 3.513 3.243 3.632 . 0 0 "[ .]" 1
828 2 9 ARG HE 2 15 ILE MD 3.840 2.690 4.990 2.906 2.857 2.961 . 0 0 "[ .]" 1
829 2 9 ARG HE 2 15 ILE HG13 2.750 . 3.570 3.936 3.742 4.102 0.532 4 1 "[ +.]" 1
830 2 10 GLY H 2 10 GLY HA2 2.670 . 3.470 2.315 2.138 2.491 . 0 0 "[ .]" 1
831 2 10 GLY H 2 10 GLY HA3 2.670 . 3.470 2.930 2.839 3.026 . 0 0 "[ .]" 1
832 2 10 GLY HA3 2 11 LYS H 2.820 . 3.670 2.710 2.084 3.426 . 0 0 "[ .]" 1
833 2 10 GLY HA2 2 11 LYS H 2.700 . 3.510 3.140 2.160 3.524 0.014 3 0 "[ .]" 1
834 2 10 GLY H 2 11 LYS H 2.840 . 3.690 3.453 2.969 3.931 0.241 5 0 "[ .]" 1
835 2 11 LYS HA 2 11 LYS HB3 2.410 . 3.130 2.514 2.416 2.588 . 0 0 "[ .]" 1
836 2 11 LYS H 2 11 LYS HA 2.220 . 2.890 2.700 2.135 2.945 0.055 1 0 "[ .]" 1
837 2 11 LYS H 2 12 GLY H 2.890 2.020 3.760 3.285 2.812 3.882 0.122 4 0 "[ .]" 1
838 2 11 LYS HA 2 12 GLY H 2.670 . 3.470 2.583 2.072 3.277 . 0 0 "[ .]" 1
839 2 11 LYS HA 2 13 ARG H 3.800 2.660 4.940 4.532 4.260 4.668 . 0 0 "[ .]" 1
840 2 12 GLY H 2 12 GLY HA3 2.650 . 3.450 2.829 2.777 2.947 . 0 0 "[ .]" 1
841 2 12 GLY H 2 12 GLY HA2 2.430 . 3.160 2.223 2.162 2.322 . 0 0 "[ .]" 1
842 2 12 GLY H 2 13 ARG H 2.720 . 3.540 3.068 2.095 3.436 . 0 0 "[ .]" 1
843 2 12 GLY HA2 2 13 ARG H 3.320 2.320 4.320 3.392 3.118 3.485 . 0 0 "[ .]" 1
844 2 12 GLY HA3 2 13 ARG H 3.010 2.110 3.910 3.228 2.973 3.367 . 0 0 "[ .]" 1
845 2 13 ARG HA 2 13 ARG HE 2.930 2.050 3.810 4.294 4.218 4.355 0.545 1 2 "[+ -.]" 1
846 2 13 ARG H 2 13 ARG HB3 2.650 . 3.450 3.378 3.352 3.410 . 0 0 "[ .]" 1
847 2 13 ARG HB3 2 13 ARG HE 2.270 . 2.950 2.291 2.178 2.413 . 0 0 "[ .]" 1
848 2 13 ARG HE 2 13 ARG QG 2.730 . 3.550 3.212 3.172 3.253 . 0 0 "[ .]" 1
849 2 13 ARG H 2 13 ARG HB2 2.230 . 3.330 2.405 2.243 2.508 . 0 0 "[ .]" 1
850 2 13 ARG H 2 13 ARG HA 2.780 . 3.610 2.723 2.691 2.750 . 0 0 "[ .]" 1
851 2 13 ARG HA 2 13 ARG HG3 2.470 . 3.470 3.407 3.190 3.589 0.119 2 0 "[ .]" 1
852 2 13 ARG HD2 2 13 ARG HE 2.440 . 3.170 2.264 2.183 2.343 . 0 0 "[ .]" 1
853 2 13 ARG HD3 2 13 ARG HG3 2.450 . 3.180 2.400 2.317 2.435 . 0 0 "[ .]" 1
854 2 13 ARG HD3 2 13 ARG HE 2.350 . 3.050 2.989 2.966 3.009 . 0 0 "[ .]" 1
855 2 13 ARG H 2 13 ARG HG3 2.730 . 3.930 2.249 1.915 2.560 . 0 0 "[ .]" 1
856 2 13 ARG H 2 13 ARG HD3 3.310 2.320 4.300 4.445 4.314 4.577 0.277 5 0 "[ .]" 1
857 2 13 ARG H 2 13 ARG HD2 3.370 2.360 4.380 4.527 4.453 4.671 0.291 3 0 "[ .]" 1
858 2 13 ARG H 2 13 ARG HG2 2.590 . 3.790 2.605 2.238 2.957 . 0 0 "[ .]" 1
859 2 13 ARG HB2 2 13 ARG HE 2.410 . 3.130 2.958 2.551 3.119 . 0 0 "[ .]" 1
860 2 13 ARG H 2 14 ARG H 2.900 2.030 3.770 3.832 3.660 3.957 0.187 3 0 "[ .]" 1
861 2 13 ARG HA 2 14 ARG H 2.220 . 2.890 2.803 2.650 2.912 0.022 2 0 "[ .]" 1
862 2 14 ARG QD 2 14 ARG HE 2.810 . 3.650 2.269 2.193 2.423 . 0 0 "[ .]" 1
863 2 14 ARG H 2 14 ARG HA 2.630 . 3.420 2.603 2.506 2.728 . 0 0 "[ .]" 1
864 2 14 ARG H 2 14 ARG QD 3.370 2.360 4.380 3.425 2.425 4.077 . 0 0 "[ .]" 1
865 2 14 ARG QB 2 14 ARG HE 2.950 2.060 3.840 3.055 2.344 3.856 0.016 4 0 "[ .]" 1
866 2 14 ARG HE 2 14 ARG QG 2.850 . 3.700 3.037 2.642 3.380 . 0 0 "[ .]" 1
867 2 14 ARG HA 2 14 ARG QB 2.500 . 3.250 2.439 2.307 2.548 . 0 0 "[ .]" 1
868 2 14 ARG HA 2 14 ARG QG 2.880 2.020 3.740 2.135 1.935 2.359 0.085 5 0 "[ .]" 1
869 2 14 ARG HA 2 15 ILE H 2.180 . 2.830 2.144 2.072 2.270 . 0 0 "[ .]" 1
870 2 14 ARG H 2 15 ILE H 3.250 2.280 4.220 4.380 4.289 4.449 0.229 5 0 "[ .]" 1
871 2 14 ARG QB 2 15 ILE H 2.740 . 3.560 2.382 2.098 2.667 . 0 0 "[ .]" 1
872 2 14 ARG QD 2 15 ILE H 3.770 2.640 4.900 3.742 2.668 4.457 . 0 0 "[ .]" 1
873 2 14 ARG QG 2 15 ILE H 3.060 2.140 3.980 3.366 2.700 3.885 . 0 0 "[ .]" 1
874 2 15 ILE H 2 15 ILE HB 2.170 . 2.820 2.925 2.885 2.962 0.142 5 0 "[ .]" 1
875 2 15 ILE H 2 15 ILE HA 2.650 . 3.450 2.961 2.943 2.980 . 0 0 "[ .]" 1
876 2 15 ILE H 2 15 ILE HG13 2.610 . 3.390 2.730 2.523 2.870 . 0 0 "[ .]" 1
877 2 15 ILE H 2 15 ILE MD 3.600 2.520 4.680 3.942 3.861 4.032 . 0 0 "[ .]" 1
878 2 15 ILE MG 2 16 ARG H 3.360 2.350 4.370 2.147 1.761 3.019 0.589 3 1 "[ + .]" 1
879 2 15 ILE MG 2 16 ARG HG3 3.300 2.310 4.290 3.054 2.504 3.745 . 0 0 "[ .]" 1
880 2 15 ILE HA 2 16 ARG H 2.340 . 3.040 2.392 2.178 2.717 . 0 0 "[ .]" 1
881 2 15 ILE H 2 16 ARG H 3.770 2.640 4.900 4.396 3.927 4.755 . 0 0 "[ .]" 1
882 2 15 ILE MG 2 16 ARG HG2 3.790 2.650 4.930 3.616 3.498 3.713 . 0 0 "[ .]" 1
883 2 15 ILE HB 2 16 ARG H 3.290 2.300 4.280 3.676 3.055 4.223 . 0 0 "[ .]" 1
884 2 15 ILE MG 2 17 ARG H 3.990 2.790 5.190 3.799 3.268 4.402 . 0 0 "[ .]" 1
885 2 15 ILE MD 2 17 ARG HE 4.460 3.120 5.800 4.975 4.843 5.088 . 0 0 "[ .]" 1
886 2 15 ILE HG13 2 17 ARG HE 3.180 2.230 4.130 4.217 4.178 4.271 0.141 2 0 "[ .]" 1
887 2 16 ARG HA 2 16 ARG HG2 2.600 . 3.380 2.520 2.397 2.729 . 0 0 "[ .]" 1
888 2 16 ARG H 2 16 ARG HG3 3.430 2.400 4.460 3.385 2.475 3.886 . 0 0 "[ .]" 1
889 2 16 ARG HA 2 16 ARG HG3 2.670 . 3.470 3.073 2.724 3.316 . 0 0 "[ .]" 1
890 2 16 ARG H 2 16 ARG HG2 2.920 2.040 3.800 3.786 3.391 4.150 0.350 5 0 "[ .]" 1
891 2 16 ARG HA 2 16 ARG QB 2.500 . 3.250 2.376 2.328 2.405 . 0 0 "[ .]" 1
892 2 16 ARG H 2 16 ARG HA 2.860 . 3.720 2.127 2.037 2.269 . 0 0 "[ .]" 1
893 2 16 ARG H 2 16 ARG QB 2.730 . 3.550 3.360 3.189 3.420 . 0 0 "[ .]" 1
894 2 16 ARG HA 2 17 ARG H 2.130 . 2.770 2.390 2.307 2.526 . 0 0 "[ .]" 1
895 2 16 ARG H 2 17 ARG H 3.050 2.130 3.970 2.542 2.268 2.875 . 0 0 "[ .]" 1
896 2 17 ARG QB 2 17 ARG HE 2.760 . 4.060 3.801 3.371 4.112 0.052 3 0 "[ .]" 1
897 2 17 ARG H 2 17 ARG HG3 2.520 . 3.280 3.437 3.354 3.512 0.232 5 0 "[ .]" 1
898 2 17 ARG HA 2 17 ARG QD 2.750 . 3.570 2.975 2.644 3.377 . 0 0 "[ .]" 1
899 2 17 ARG H 2 17 ARG HA 2.710 . 3.520 2.812 2.765 2.849 . 0 0 "[ .]" 1
900 2 17 ARG H 2 17 ARG QB 2.770 . 3.600 2.675 2.351 2.955 . 0 0 "[ .]" 1
901 2 17 ARG H 2 17 ARG HG2 2.520 . 3.030 2.114 1.918 2.324 . 0 0 "[ .]" 1
902 2 17 ARG H 2 17 ARG QD 3.470 2.430 4.510 2.842 2.066 3.793 0.364 5 0 "[ .]" 1
903 2 17 ARG HE 2 17 ARG HG3 2.690 . 3.500 3.101 2.425 3.718 0.218 4 0 "[ .]" 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 60
_Distance_constraint_stats_list.Viol_count 188
_Distance_constraint_stats_list.Viol_total 120.016
_Distance_constraint_stats_list.Viol_max 0.412
_Distance_constraint_stats_list.Viol_rms 0.0901
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0800
_Distance_constraint_stats_list.Viol_average_violations_only 0.1277
_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 G 2.636 0.311 3 0 "[ .]"
1 2 G 2.559 0.412 1 0 "[ .]"
1 3 C 2.059 0.254 4 0 "[ .]"
1 4 U 1.635 0.319 5 0 "[ .]"
1 5 C 2.358 0.371 1 0 "[ .]"
1 6 G 2.199 0.203 1 0 "[ .]"
1 8 G 1.843 0.210 3 0 "[ .]"
1 10 A 2.985 0.245 3 0 "[ .]"
1 11 G 1.908 0.268 5 0 "[ .]"
1 12 C 2.799 0.226 1 0 "[ .]"
1 13 U 1.023 0.275 5 0 "[ .]"
1 18 A 1.023 0.275 5 0 "[ .]"
1 19 G 2.799 0.226 1 0 "[ .]"
1 20 C 1.908 0.268 5 0 "[ .]"
1 21 U 2.985 0.245 3 0 "[ .]"
1 22 C 1.843 0.210 3 0 "[ .]"
1 23 C 2.199 0.203 1 0 "[ .]"
1 24 G 2.358 0.371 1 0 "[ .]"
1 25 A 1.635 0.319 5 0 "[ .]"
1 26 G 2.059 0.254 4 0 "[ .]"
1 27 C 2.559 0.412 1 0 "[ .]"
1 28 C 2.636 0.311 3 0 "[ .]"
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 G H1 1 28 C N3 1.990 . 2.090 1.941 1.771 2.163 0.119 3 0 "[ .]" 2
2 1 1 G O6 1 28 C H41 1.950 . 2.050 2.266 2.055 2.361 0.311 3 0 "[ .]" 2
3 1 1 G H21 1 28 C O2 1.950 . 2.050 1.844 1.707 2.034 0.143 5 0 "[ .]" 2
4 1 1 G N1 1 28 C N3 2.900 2.800 3.000 2.909 2.769 3.057 0.057 4 0 "[ .]" 2
5 1 1 G O6 1 28 C N4 2.950 2.850 3.050 3.071 2.956 3.216 0.166 5 0 "[ .]" 2
6 1 1 G N2 1 28 C O2 2.950 2.850 3.050 2.739 2.679 2.793 0.171 3 0 "[ .]" 2
7 1 2 G H1 1 27 C N3 1.990 . 2.090 1.971 1.828 2.276 0.186 1 0 "[ .]" 2
8 1 2 G O6 1 27 C H41 1.950 . 2.050 2.148 1.995 2.462 0.412 1 0 "[ .]" 2
9 1 2 G H21 1 27 C O2 1.950 . 2.050 1.761 1.667 1.903 0.183 4 0 "[ .]" 2
10 1 2 G N1 1 27 C N3 2.900 2.800 3.000 2.948 2.818 3.228 0.228 1 0 "[ .]" 2
11 1 2 G O6 1 27 C N4 2.950 2.850 3.050 3.049 2.852 3.382 0.332 1 0 "[ .]" 2
12 1 2 G N2 1 27 C O2 2.950 2.850 3.050 2.715 2.624 2.762 0.226 4 0 "[ .]" 2
13 1 3 C N3 1 26 G H1 1.990 . 2.090 1.974 1.877 2.052 0.013 2 0 "[ .]" 2
14 1 3 C H41 1 26 G O6 1.950 . 2.050 2.079 1.892 2.244 0.194 1 0 "[ .]" 2
15 1 3 C O2 1 26 G H21 1.950 . 2.050 1.745 1.636 1.878 0.214 1 0 "[ .]" 2
16 1 3 C N3 1 26 G N1 2.900 2.800 3.000 2.951 2.878 3.006 0.006 4 0 "[ .]" 2
17 1 3 C N4 1 26 G O6 2.950 2.850 3.050 3.051 2.871 3.198 0.148 1 0 "[ .]" 2
18 1 3 C O2 1 26 G N2 2.950 2.850 3.050 2.698 2.596 2.818 0.254 4 0 "[ .]" 2
19 1 4 U H3 1 25 A N1 1.990 . 2.090 1.833 1.684 1.916 0.206 1 0 "[ .]" 2
20 1 4 U O4 1 25 A H61 1.950 . 2.050 2.167 1.899 2.369 0.319 5 0 "[ .]" 2
21 1 4 U N3 1 25 A N1 2.900 2.800 3.000 2.826 2.706 2.886 0.094 1 0 "[ .]" 2
22 1 4 U O4 1 25 A N6 2.950 2.850 3.050 3.096 2.850 3.306 0.256 4 0 "[ .]" 2
23 1 5 C N3 1 24 G H1 1.990 . 2.090 1.900 1.734 2.066 0.156 4 0 "[ .]" 2
24 1 5 C H41 1 24 G O6 1.950 . 2.050 1.951 1.706 2.421 0.371 1 0 "[ .]" 2
25 1 5 C O2 1 24 G H21 1.950 . 2.050 1.939 1.679 2.166 0.171 1 0 "[ .]" 2
26 1 5 C N3 1 24 G N1 2.900 2.800 3.000 2.844 2.760 2.955 0.040 4 0 "[ .]" 2
27 1 5 C N4 1 24 G O6 2.950 2.850 3.050 2.859 2.688 3.256 0.206 1 0 "[ .]" 2
28 1 5 C O2 1 24 G N2 2.950 2.850 3.050 2.802 2.641 3.021 0.209 1 0 "[ .]" 2
29 1 6 G H1 1 23 C N3 1.990 . 2.090 1.896 1.736 2.077 0.154 5 0 "[ .]" 2
30 1 6 G O6 1 23 C H41 1.950 . 2.050 1.769 1.663 1.895 0.187 1 0 "[ .]" 2
31 1 6 G H21 1 23 C O2 1.950 . 2.050 1.913 1.655 2.233 0.195 1 0 "[ .]" 2
32 1 6 G N1 1 23 C N3 2.900 2.800 3.000 2.857 2.715 3.006 0.085 5 0 "[ .]" 2
33 1 6 G O6 1 23 C N4 2.950 2.850 3.050 2.726 2.653 2.849 0.197 5 0 "[ .]" 2
34 1 6 G N2 1 23 C O2 2.950 2.850 3.050 2.807 2.647 3.033 0.203 1 0 "[ .]" 2
35 1 8 G H1 1 22 C N3 1.990 . 2.090 1.919 1.816 1.992 0.074 4 0 "[ .]" 2
36 1 8 G O6 1 22 C H41 1.950 . 2.050 1.793 1.692 2.093 0.158 4 0 "[ .]" 2
37 1 8 G H21 1 22 C O2 1.950 . 2.050 1.970 1.732 2.108 0.118 1 0 "[ .]" 2
38 1 8 G N1 1 22 C N3 2.900 2.800 3.000 2.873 2.813 2.934 . 0 0 "[ .]" 2
39 1 8 G O6 1 22 C N4 2.950 2.850 3.050 2.728 2.640 2.944 0.210 3 0 "[ .]" 2
40 1 8 G N2 1 22 C O2 2.950 2.850 3.050 2.845 2.697 2.983 0.153 1 0 "[ .]" 2
41 1 10 A N1 1 21 U H3 1.990 . 2.090 1.712 1.649 1.781 0.241 2 0 "[ .]" 2
42 1 10 A H61 1 21 U O4 1.950 . 2.050 1.735 1.614 2.027 0.236 3 0 "[ .]" 2
43 1 10 A N1 1 21 U N3 2.900 2.800 3.000 2.704 2.643 2.781 0.157 4 0 "[ .]" 2
44 1 10 A N6 1 21 U O4 2.950 2.850 3.050 2.703 2.605 2.978 0.245 3 0 "[ .]" 2
45 1 11 G H1 1 20 C N3 1.990 . 2.090 2.026 1.894 2.319 0.229 5 0 "[ .]" 2
46 1 11 G O6 1 20 C H41 1.950 . 2.050 2.001 1.826 2.261 0.211 5 0 "[ .]" 2
47 1 11 G H21 1 20 C O2 1.950 . 2.050 1.878 1.769 2.197 0.147 5 0 "[ .]" 2
48 1 11 G N1 1 20 C N3 2.900 2.800 3.000 3.014 2.880 3.268 0.268 5 0 "[ .]" 2
49 1 11 G O6 1 20 C N4 2.950 2.850 3.050 2.961 2.793 3.199 0.149 5 0 "[ .]" 2
50 1 11 G N2 1 20 C O2 2.950 2.850 3.050 2.816 2.687 3.130 0.163 4 0 "[ .]" 2
51 1 12 C N3 1 19 G H1 1.990 . 2.090 1.932 1.859 2.032 0.031 5 0 "[ .]" 2
52 1 12 C H41 1 19 G O6 1.950 . 2.050 2.022 1.712 2.262 0.212 1 0 "[ .]" 2
53 1 12 C O2 1 19 G H21 1.950 . 2.050 1.713 1.641 1.843 0.209 4 0 "[ .]" 2
54 1 12 C N3 1 19 G N1 2.900 2.800 3.000 2.900 2.801 2.966 . 0 0 "[ .]" 2
55 1 12 C N4 1 19 G O6 2.950 2.850 3.050 2.943 2.666 3.236 0.186 1 0 "[ .]" 2
56 1 12 C O2 1 19 G N2 2.950 2.850 3.050 2.669 2.624 2.800 0.226 1 0 "[ .]" 2
57 1 13 U H3 1 18 A N1 1.990 . 2.090 1.972 1.881 2.028 0.009 3 0 "[ .]" 2
58 1 13 U O4 1 18 A H61 1.950 . 2.050 2.040 1.706 2.279 0.229 4 0 "[ .]" 2
59 1 13 U N3 1 18 A N1 2.900 2.800 3.000 2.840 2.765 2.922 0.035 3 0 "[ .]" 2
60 1 13 U O4 1 18 A N6 2.950 2.850 3.050 2.900 2.575 3.132 0.275 5 0 "[ .]" 2
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