NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487206 |
1jtw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jtw
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 324
_Distance_constraint_stats_list.Viol_count 1251
_Distance_constraint_stats_list.Viol_total 4935.066
_Distance_constraint_stats_list.Viol_max 2.499
_Distance_constraint_stats_list.Viol_rms 0.2252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0777
_Distance_constraint_stats_list.Viol_average_violations_only 0.2818
_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 23.518 1.268 13 6 "[ - *** *1 + ]"
1 2 G 24.854 1.596 13 12 "[*** **-*****+ ]"
1 3 G 26.113 0.859 13 10 "[-** *** *1**+ ]"
1 4 U 19.220 0.849 13 8 "[- * ** ***+ ]"
1 5 G 27.386 1.241 8 14 [******-+******]
1 6 C 27.683 1.241 8 14 [******-+******]
1 7 G 25.405 1.195 5 14 [****+********-]
1 8 A 51.219 1.195 5 14 [****+*******-*]
1 9 G 46.095 2.499 7 12 "[*-* **+* *****]"
1 10 A 84.188 2.499 7 14 [*-****+*******]
1 11 G 66.824 2.172 6 14 [*****+******-*]
1 12 C 16.024 0.896 13 5 "[ . * *** + ]"
1 13 G 46.377 1.647 11 14 [**********+***]
1 14 U 60.373 1.647 11 14 [**********+***]
1 15 C 28.813 1.222 10 13 "[-******* +****]"
1 16 A 13.586 1.596 13 6 "[ * . - ** +*]"
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 2 G O6 1 15 C H41 . . 2.100 2.201 1.999 2.656 0.556 10 3 "[ . +* - ]" 1
2 1 2 G H1 1 15 C N3 . . 2.140 2.094 2.023 2.199 0.059 10 0 "[ . 1 ]" 1
3 1 2 G H21 1 15 C O2 . . 2.100 2.002 1.919 2.122 0.022 11 0 "[ . 1 ]" 1
4 1 2 G N1 1 15 C N3 . 2.750 3.050 3.027 2.975 3.126 0.076 10 0 "[ . 1 ]" 1
5 1 2 G N2 1 15 C O2 . 2.800 3.100 2.965 2.901 3.043 . 0 0 "[ . 1 ]" 1
6 1 2 G O6 1 15 C N4 . 2.800 3.100 3.046 2.952 3.140 0.040 12 0 "[ . 1 ]" 1
7 1 5 G O6 1 12 C H41 . . 2.100 2.017 1.945 2.112 0.012 13 0 "[ . 1 ]" 1
8 1 5 G H1 1 12 C N3 . . 2.140 2.032 2.011 2.058 . 0 0 "[ . 1 ]" 1
9 1 5 G H21 1 12 C O2 . . 2.100 1.999 1.941 2.060 . 0 0 "[ . 1 ]" 1
10 1 5 G N1 1 12 C N3 . 2.750 3.050 3.029 2.994 3.065 0.015 5 0 "[ . 1 ]" 1
11 1 5 G N2 1 12 C O2 . 2.800 3.100 3.000 2.952 3.059 . 0 0 "[ . 1 ]" 1
12 1 5 G O6 1 12 C N4 . 2.800 3.100 3.020 2.956 3.120 0.020 13 0 "[ . 1 ]" 1
13 1 6 C H41 1 11 G O6 . . 2.100 2.031 1.950 2.160 0.060 12 0 "[ . 1 ]" 1
14 1 6 C N3 1 11 G H1 . . 2.140 2.125 2.067 2.265 0.125 4 0 "[ . 1 ]" 1
15 1 6 C O2 1 11 G H21 . . 2.100 2.135 2.055 2.351 0.251 4 0 "[ . 1 ]" 1
16 1 6 C N3 1 11 G N1 . 2.750 3.050 3.077 3.036 3.185 0.135 4 0 "[ . 1 ]" 1
17 1 6 C O2 1 11 G N2 . 2.800 3.100 3.103 3.027 3.304 0.204 4 0 "[ . 1 ]" 1
18 1 6 C N4 1 11 G O6 . 2.800 3.100 2.985 2.929 3.066 . 0 0 "[ . 1 ]" 1
19 1 1 G C4' 1 1 G O4' . . 1.400 1.415 1.411 1.422 0.022 9 0 "[ . 1 ]" 1
20 1 2 G C4' 1 2 G O4' . . 1.400 1.423 1.417 1.426 0.026 6 0 "[ . 1 ]" 1
21 1 3 G C4' 1 3 G O4' . . 1.400 1.422 1.417 1.424 0.024 2 0 "[ . 1 ]" 1
22 1 4 U C4' 1 4 U O4' . . 1.400 1.422 1.417 1.426 0.026 11 0 "[ . 1 ]" 1
23 1 5 G C4' 1 5 G O4' . . 1.400 1.420 1.415 1.422 0.022 3 0 "[ . 1 ]" 1
24 1 6 C C4' 1 6 C O4' . . 1.400 1.423 1.420 1.425 0.025 5 0 "[ . 1 ]" 1
25 1 7 G C4' 1 7 G O4' . . 1.400 1.419 1.416 1.423 0.023 2 0 "[ . 1 ]" 1
26 1 8 A C4' 1 8 A O4' . . 1.400 1.420 1.413 1.424 0.024 10 0 "[ . 1 ]" 1
27 1 9 G C4' 1 9 G O4' . . 1.400 1.422 1.420 1.424 0.024 7 0 "[ . 1 ]" 1
28 1 10 A C4' 1 10 A O4' . . 1.400 1.420 1.418 1.422 0.022 9 0 "[ . 1 ]" 1
29 1 11 G C4' 1 11 G O4' . . 1.400 1.420 1.413 1.424 0.024 2 0 "[ . 1 ]" 1
30 1 12 C C4' 1 12 C O4' . . 1.400 1.421 1.417 1.424 0.024 8 0 "[ . 1 ]" 1
31 1 13 G C4' 1 13 G O4' . . 1.400 1.420 1.416 1.423 0.023 5 0 "[ . 1 ]" 1
32 1 14 U C4' 1 14 U O4' . . 1.400 1.420 1.416 1.425 0.025 10 0 "[ . 1 ]" 1
33 1 15 C C4' 1 15 C O4' . . 1.400 1.419 1.416 1.423 0.023 10 0 "[ . 1 ]" 1
34 1 16 A C4' 1 16 A O4' . . 1.400 1.422 1.418 1.426 0.026 12 0 "[ . 1 ]" 1
35 1 1 G H1' 1 1 G H8 . 2.951 3.451 3.782 3.432 3.907 0.456 6 0 "[ . 1 ]" 1
36 1 1 G H2' 1 1 G H8 . 3.105 3.605 3.330 2.157 3.952 0.948 9 1 "[ . +1 ]" 1
37 1 1 G H3' 1 1 G H8 . 3.168 3.668 3.368 2.536 4.771 1.103 5 4 "[ +*- 1 * ]" 1
38 1 1 G H4' 1 1 G H8 . 4.000 4.579 4.786 4.442 5.756 1.177 13 2 "[ . -1 + ]" 1
39 1 1 G H5' 1 1 G H8 . 3.000 6.000 4.622 3.604 5.415 . 0 0 "[ . 1 ]" 1
40 1 1 G H5'' 1 1 G H8 . 3.000 6.000 4.384 3.240 6.169 0.169 13 0 "[ . 1 ]" 1
41 1 1 G H1' 1 1 G H2' . 2.675 3.175 2.843 2.413 3.031 0.262 13 0 "[ . 1 ]" 1
42 1 1 G H1' 1 1 G H3' . 3.346 3.846 3.718 2.447 3.845 0.899 13 1 "[ . 1 + ]" 1
43 1 1 G H1' 1 1 G H4' . 3.162 3.662 2.910 2.642 3.788 0.520 5 2 "[ - + 1 ]" 1
44 1 1 G H1' 1 1 G H5' . 3.000 6.000 4.734 4.386 5.180 . 0 0 "[ . 1 ]" 1
45 1 1 G H1' 1 1 G H5'' . 3.000 6.000 4.642 4.237 5.148 . 0 0 "[ . 1 ]" 1
46 1 2 G H1' 1 2 G H3' . . 4.000 3.762 3.682 4.003 0.003 13 0 "[ . 1 ]" 1
47 1 2 G H1' 1 2 G H2' . 2.509 3.009 2.730 2.709 2.754 . 0 0 "[ . 1 ]" 1
48 1 2 G H3' 1 2 G H8 . 3.278 3.778 2.744 2.453 3.522 0.825 9 9 "[**- ** *+* * ]" 1
49 1 2 G H2' 1 2 G H8 . . 4.000 3.935 3.717 4.231 0.231 11 0 "[ . 1 ]" 1
50 1 2 G H1' 1 2 G H8 . 3.544 4.044 3.825 3.738 3.876 . 0 0 "[ . 1 ]" 1
51 1 2 G H1 1 2 G H21 . . 4.000 2.238 2.228 2.252 . 0 0 "[ . 1 ]" 1
52 1 2 G H1 1 2 G H22 . . 4.000 3.497 3.492 3.505 . 0 0 "[ . 1 ]" 1
53 1 2 G H4' 1 2 G H8 . . 6.000 4.198 2.102 4.395 . 0 0 "[ . 1 ]" 1
54 1 2 G H1' 1 2 G H4' . 3.014 3.514 3.390 3.314 3.768 0.254 13 0 "[ . 1 ]" 1
55 1 2 G H5' 1 2 G H8 . 3.000 6.000 3.991 3.773 4.884 . 0 0 "[ . 1 ]" 1
56 1 2 G H5'' 1 2 G H8 . 3.000 6.000 4.075 2.526 4.483 0.474 5 0 "[ . 1 ]" 1
57 1 3 G H1' 1 3 G H8 . 3.349 3.849 3.760 3.687 3.822 . 0 0 "[ . 1 ]" 1
58 1 3 G H2' 1 3 G H8 . 4.000 6.000 4.074 3.871 4.291 0.129 14 0 "[ . 1 ]" 1
59 1 3 G H1' 1 3 G H2' . 2.669 3.169 2.742 2.714 2.781 . 0 0 "[ . 1 ]" 1
60 1 3 G H1 1 3 G H21 . . 3.500 2.217 2.201 2.261 . 0 0 "[ . 1 ]" 1
61 1 3 G H1 1 3 G H22 . . 3.500 3.476 3.467 3.498 . 0 0 "[ . 1 ]" 1
62 1 3 G H3' 1 3 G H8 . . 4.000 3.124 2.722 4.859 0.859 13 1 "[ . 1 + ]" 1
63 1 3 G H4' 1 3 G H8 . 3.000 6.000 4.391 4.257 4.479 . 0 0 "[ . 1 ]" 1
64 1 3 G H5' 1 3 G H8 . 3.000 4.000 4.088 3.935 4.474 0.474 13 0 "[ . 1 ]" 1
65 1 3 G H5'' 1 3 G H8 . 3.000 4.000 3.527 2.218 4.458 0.782 9 5 "[ *- * +1 * ]" 1
66 1 4 U H1' 1 4 U H6 . 3.560 4.560 3.650 3.562 3.704 . 0 0 "[ . 1 ]" 1
67 1 4 U H3' 1 4 U H6 . 2.654 3.154 2.652 2.515 2.946 0.139 2 0 "[ . 1 ]" 1
68 1 4 U H5 1 4 U H6 . . 3.000 2.400 2.391 2.404 . 0 0 "[ . 1 ]" 1
69 1 4 U H2' 1 4 U H6 . . 4.000 3.818 3.529 4.176 0.176 11 0 "[ . 1 ]" 1
70 1 4 U H1' 1 4 U H3' . 4.000 6.000 3.753 3.717 3.796 0.283 3 0 "[ . 1 ]" 1
71 1 4 U H1' 1 4 U H2' . 2.170 3.190 2.756 2.719 2.793 . 0 0 "[ . 1 ]" 1
72 1 4 U H1' 1 4 U H4' . 2.620 3.620 3.272 3.194 3.493 . 0 0 "[ . 1 ]" 1
73 1 4 U H4' 1 4 U H6 . . 6.000 4.159 4.086 4.182 . 0 0 "[ . 1 ]" 1
74 1 4 U H5' 1 4 U H6 . 3.000 6.000 3.780 3.634 3.949 . 0 0 "[ . 1 ]" 1
75 1 4 U H5'' 1 4 U H6 . 3.000 6.000 4.041 2.239 4.219 0.761 11 1 "[ . 1+ ]" 1
76 1 4 U H2' 1 4 U H5 . . 6.000 5.235 5.088 5.463 . 0 0 "[ . 1 ]" 1
77 1 5 G H1' 1 5 G H8 . 4.000 6.000 3.826 3.751 3.866 0.249 11 0 "[ . 1 ]" 1
78 1 5 G H2' 1 5 G H8 . . 4.000 3.845 3.641 4.128 0.128 11 0 "[ . 1 ]" 1
79 1 5 G H1' 1 5 G H2' . . 3.000 2.762 2.740 2.801 . 0 0 "[ . 1 ]" 1
80 1 5 G H1 1 5 G H22 . . 4.000 3.493 3.486 3.499 . 0 0 "[ . 1 ]" 1
81 1 5 G H1 1 5 G H21 . . 4.000 2.242 2.231 2.256 . 0 0 "[ . 1 ]" 1
82 1 5 G H3' 1 5 G H8 . . 4.000 2.782 2.502 3.048 . 0 0 "[ . 1 ]" 1
83 1 5 G H4' 1 5 G H8 . 3.000 6.000 4.389 4.292 4.492 . 0 0 "[ . 1 ]" 1
84 1 5 G H5' 1 5 G H8 . 3.000 6.000 3.990 3.852 4.214 . 0 0 "[ . 1 ]" 1
85 1 5 G H5'' 1 5 G H8 . 3.000 6.000 4.081 2.396 4.684 0.604 2 1 "[ + . 1 ]" 1
86 1 5 G H1' 1 5 G H3' . 3.000 6.000 3.784 3.744 3.852 . 0 0 "[ . 1 ]" 1
87 1 5 G H1' 1 5 G H4' . . 4.000 3.266 3.072 3.368 . 0 0 "[ . 1 ]" 1
88 1 6 C H1' 1 6 C H6 . 3.425 3.925 3.668 3.598 3.711 . 0 0 "[ . 1 ]" 1
89 1 6 C H5 1 6 C H6 . . 3.000 2.398 2.392 2.405 . 0 0 "[ . 1 ]" 1
90 1 6 C H2' 1 6 C H6 . . 4.000 3.745 3.523 4.076 0.076 5 0 "[ . 1 ]" 1
91 1 6 C H1' 1 6 C H2' . . 4.000 2.757 2.731 2.782 . 0 0 "[ . 1 ]" 1
92 1 6 C H41 1 6 C H6 . 3.000 6.000 5.351 5.343 5.356 . 0 0 "[ . 1 ]" 1
93 1 6 C H42 1 6 C H6 . 3.000 6.000 4.640 4.625 4.658 . 0 0 "[ . 1 ]" 1
94 1 6 C H2' 1 6 C H5 . 3.000 6.000 5.154 4.988 5.443 . 0 0 "[ . 1 ]" 1
95 1 6 C H3' 1 6 C H5 . 3.000 6.000 4.311 4.192 4.516 . 0 0 "[ . 1 ]" 1
96 1 6 C H3' 1 6 C H6 . . 4.000 2.494 2.275 2.844 . 0 0 "[ . 1 ]" 1
97 1 6 C H5' 1 6 C H6 . 3.000 6.000 3.767 3.574 3.841 . 0 0 "[ . 1 ]" 1
98 1 6 C H5'' 1 6 C H6 . 3.000 6.000 3.432 2.134 4.191 0.866 7 5 "[ **+- 1 *]" 1
99 1 6 C H1' 1 6 C H5' . . 6.000 4.878 4.662 5.267 . 0 0 "[ . 1 ]" 1
100 1 6 C H1' 1 6 C H5'' . . 6.000 4.964 4.533 5.231 . 0 0 "[ . 1 ]" 1
101 1 7 G H1' 1 7 G H8 . 3.672 4.172 3.880 3.754 3.912 . 0 0 "[ . 1 ]" 1
102 1 7 G H2' 1 7 G H8 . 3.000 6.000 3.603 3.355 4.115 . 0 0 "[ . 1 ]" 1
103 1 7 G H1' 1 7 G H2' . 2.431 2.931 2.772 2.735 2.791 . 0 0 "[ . 1 ]" 1
104 1 7 G H3' 1 7 G H8 . 2.450 2.950 2.316 2.166 2.953 0.284 12 0 "[ . 1 ]" 1
105 1 7 G H4' 1 7 G H8 . 3.000 6.000 4.390 4.332 4.472 . 0 0 "[ . 1 ]" 1
106 1 7 G H5' 1 7 G H8 . 3.000 6.000 4.105 3.924 4.301 . 0 0 "[ . 1 ]" 1
107 1 7 G H5'' 1 7 G H8 . 3.000 6.000 4.513 4.317 4.661 . 0 0 "[ . 1 ]" 1
108 1 7 G H1' 1 7 G H3' . 3.000 6.000 3.704 3.680 3.731 . 0 0 "[ . 1 ]" 1
109 1 8 A H1' 1 8 A H8 . 3.555 4.055 3.634 3.587 3.681 . 0 0 "[ . 1 ]" 1
110 1 8 A H1' 1 8 A H2 . 4.000 6.000 4.897 4.830 4.969 . 0 0 "[ . 1 ]" 1
111 1 8 A H1' 1 8 A H3' . 3.147 3.647 3.809 3.792 3.834 0.187 10 0 "[ . 1 ]" 1
112 1 8 A H3' 1 8 A H8 . 2.907 3.407 3.587 3.375 3.970 0.563 2 3 "[ + . 1 -*]" 1
113 1 8 A H1' 1 8 A H2' . 2.496 2.996 2.761 2.718 2.890 . 0 0 "[ . 1 ]" 1
114 1 8 A H2' 1 8 A H8 . 3.092 3.592 4.335 4.217 4.452 0.860 10 14 [*********+***-] 1
115 1 8 A H4' 1 8 A H8 . 3.791 4.291 4.406 4.221 4.679 0.388 14 0 "[ . 1 ]" 1
116 1 8 A H1' 1 8 A H4' . 2.940 3.440 3.350 2.766 3.580 0.174 14 0 "[ . 1 ]" 1
117 1 8 A H5' 1 8 A H8 . 3.000 6.000 3.590 3.129 4.411 . 0 0 "[ . 1 ]" 1
118 1 8 A H5'' 1 8 A H8 . 3.000 6.000 4.517 4.133 5.472 . 0 0 "[ . 1 ]" 1
119 1 8 A H1' 1 8 A H5' . 3.000 6.000 4.646 4.454 4.718 . 0 0 "[ . 1 ]" 1
120 1 8 A H1' 1 8 A H5'' . 3.000 6.000 5.188 4.893 5.283 . 0 0 "[ . 1 ]" 1
121 1 9 G H1' 1 9 G H8 . 3.616 4.116 3.841 3.790 3.881 . 0 0 "[ . 1 ]" 1
122 1 9 G H2' 1 9 G H8 . 3.000 6.000 3.907 3.676 4.094 . 0 0 "[ . 1 ]" 1
123 1 9 G H3' 1 9 G H8 . . 4.000 2.714 2.458 2.977 . 0 0 "[ . 1 ]" 1
124 1 9 G H1' 1 9 G H2' . 2.817 3.317 2.720 2.711 2.735 0.106 6 0 "[ . 1 ]" 1
125 1 9 G H1' 1 9 G H3' . 3.430 3.930 3.773 3.753 3.796 . 0 0 "[ . 1 ]" 1
126 1 9 G H4' 1 9 G H8 . . 4.000 4.355 4.304 4.392 0.392 4 0 "[ . 1 ]" 1
127 1 9 G H5' 1 9 G H8 . 3.000 6.000 3.908 3.824 4.018 . 0 0 "[ . 1 ]" 1
128 1 9 G H5'' 1 9 G H8 . 3.000 6.000 4.176 4.127 4.222 . 0 0 "[ . 1 ]" 1
129 1 9 G H1' 1 9 G H4' . . 4.000 3.352 3.291 3.386 . 0 0 "[ . 1 ]" 1
130 1 10 A H1' 1 10 A H8 . 3.291 3.791 3.838 3.741 3.910 0.119 8 0 "[ . 1 ]" 1
131 1 10 A H1' 1 10 A H2 . 4.000 6.000 4.639 4.526 4.755 . 0 0 "[ . 1 ]" 1
132 1 10 A H1' 1 10 A H3' . 2.960 3.960 3.803 3.783 3.841 . 0 0 "[ . 1 ]" 1
133 1 10 A H3' 1 10 A H8 . 2.674 3.174 2.694 2.260 3.113 0.414 8 0 "[ . 1 ]" 1
134 1 10 A H1' 1 10 A H2' . 2.292 2.792 2.743 2.720 2.760 . 0 0 "[ . 1 ]" 1
135 1 10 A H2' 1 10 A H8 . 3.354 3.854 3.819 3.501 4.178 0.324 6 0 "[ . 1 ]" 1
136 1 10 A H1' 1 10 A H4' . 3.059 3.559 3.340 3.275 3.560 0.001 6 0 "[ . 1 ]" 1
137 1 10 A H4' 1 10 A H8 . 3.000 6.000 4.305 4.175 4.368 . 0 0 "[ . 1 ]" 1
138 1 10 A H2 1 10 A H2' . 4.000 6.000 5.063 4.657 5.573 . 0 0 "[ . 1 ]" 1
139 1 11 G H1' 1 11 G H2' . . 4.000 2.699 2.674 2.740 . 0 0 "[ . 1 ]" 1
140 1 11 G H2' 1 11 G H8 . . 4.000 4.125 3.978 4.287 0.287 4 0 "[ . 1 ]" 1
141 1 11 G H1' 1 11 G H8 . 3.000 6.000 3.752 3.706 3.797 . 0 0 "[ . 1 ]" 1
142 1 11 G H1 1 11 G H21 . . 4.000 2.225 2.216 2.233 . 0 0 "[ . 1 ]" 1
143 1 11 G H1 1 11 G H22 . . 4.000 3.491 3.487 3.495 . 0 0 "[ . 1 ]" 1
144 1 11 G H3' 1 11 G H8 . 2.870 3.370 3.064 2.894 3.345 . 0 0 "[ . 1 ]" 1
145 1 11 G H4' 1 11 G H8 . . 6.000 4.214 4.078 4.343 . 0 0 "[ . 1 ]" 1
146 1 11 G H5' 1 11 G H8 . . 4.000 3.962 3.769 4.279 0.279 3 0 "[ . 1 ]" 1
147 1 11 G H5'' 1 11 G H8 . . 3.000 2.300 2.127 2.623 . 0 0 "[ . 1 ]" 1
148 1 12 C H1' 1 12 C H6 . 3.574 4.074 3.692 3.646 3.722 . 0 0 "[ . 1 ]" 1
149 1 12 C H41 1 12 C H6 . 3.000 6.000 5.358 5.340 5.370 . 0 0 "[ . 1 ]" 1
150 1 12 C H42 1 12 C H6 . 3.000 6.000 4.633 4.618 4.646 . 0 0 "[ . 1 ]" 1
151 1 12 C H1' 1 12 C H2' . 2.587 3.087 2.766 2.729 2.810 . 0 0 "[ . 1 ]" 1
152 1 12 C H2' 1 12 C H6 . 3.083 3.582 3.626 3.379 3.861 0.279 14 0 "[ . 1 ]" 1
153 1 12 C H3' 1 12 C H5 . 3.000 6.000 4.379 4.219 4.588 . 0 0 "[ . 1 ]" 1
154 1 12 C H2' 1 12 C H5 . 3.000 6.000 5.123 5.006 5.280 . 0 0 "[ . 1 ]" 1
155 1 12 C H5 1 12 C H6 . . 3.000 2.398 2.390 2.406 . 0 0 "[ . 1 ]" 1
156 1 12 C H3' 1 12 C H6 . . 4.000 2.416 2.253 2.579 . 0 0 "[ . 1 ]" 1
157 1 12 C H1' 1 12 C H3' . 3.000 6.000 3.751 3.718 3.812 . 0 0 "[ . 1 ]" 1
158 1 12 C H1' 1 12 C H4' . 2.942 3.442 3.234 3.166 3.296 . 0 0 "[ . 1 ]" 1
159 1 12 C H4' 1 12 C H6 . 3.000 6.000 4.132 4.102 4.170 . 0 0 "[ . 1 ]" 1
160 1 12 C Q5' 1 12 C H6 . 3.000 6.000 3.501 3.412 3.586 . 0 0 "[ . 1 ]" 1
161 1 13 G H1' 1 13 G H8 . 3.779 4.779 3.759 3.641 3.825 0.138 3 0 "[ . 1 ]" 1
162 1 13 G H1' 1 13 G H2' . 2.634 3.134 2.755 2.729 2.782 . 0 0 "[ . 1 ]" 1
163 1 13 G H1' 1 13 G H4' . 3.329 3.829 3.349 3.216 3.583 0.113 7 0 "[ . 1 ]" 1
164 1 13 G H2' 1 13 G H8 . 4.000 6.000 4.068 3.832 4.363 0.168 7 0 "[ . 1 ]" 1
165 1 13 G H1 1 13 G H21 . . 4.000 2.215 2.200 2.251 . 0 0 "[ . 1 ]" 1
166 1 13 G H1 1 13 G H22 . . 4.000 3.475 3.464 3.499 . 0 0 "[ . 1 ]" 1
167 1 13 G H3' 1 13 G H8 . 3.000 6.000 3.082 2.859 3.546 0.141 6 0 "[ . 1 ]" 1
168 1 13 G H4' 1 13 G H8 . 3.000 6.000 4.379 4.258 4.448 . 0 0 "[ . 1 ]" 1
169 1 13 G H5' 1 13 G H8 . 3.000 4.000 3.990 3.862 4.227 0.227 13 0 "[ . 1 ]" 1
170 1 13 G H5'' 1 13 G H8 . 3.000 4.000 3.550 2.217 4.503 0.783 1 5 "[+ * * 1*- ]" 1
171 1 13 G H1' 1 13 G H3' . . 4.000 3.795 3.746 3.839 . 0 0 "[ . 1 ]" 1
172 1 14 U H2' 1 14 U H6 . . 4.000 3.578 3.297 3.816 . 0 0 "[ . 1 ]" 1
173 1 14 U H4' 1 14 U H6 . . 4.000 4.134 4.109 4.157 0.157 7 0 "[ . 1 ]" 1
174 1 14 U H1' 1 14 U H6 . 3.773 4.273 3.698 3.649 3.741 0.124 10 0 "[ . 1 ]" 1
175 1 14 U H1' 1 14 U H2' . 2.428 2.928 2.770 2.737 2.789 . 0 0 "[ . 1 ]" 1
176 1 14 U H5 1 14 U H6 . . 3.000 2.401 2.394 2.409 . 0 0 "[ . 1 ]" 1
177 1 14 U H2' 1 14 U H5 . 3.000 6.000 5.075 4.862 5.221 . 0 0 "[ . 1 ]" 1
178 1 14 U H3' 1 14 U H6 . 2.399 2.899 2.405 2.181 2.681 0.218 7 0 "[ . 1 ]" 1
179 1 14 U H1' 1 14 U H3' . 3.398 3.898 3.762 3.740 3.790 . 0 0 "[ . 1 ]" 1
180 1 14 U H1' 1 14 U H4' . 3.099 3.599 3.211 3.147 3.296 . 0 0 "[ . 1 ]" 1
181 1 14 U H3' 1 14 U H5 . 3.487 3.987 4.379 4.200 4.531 0.544 6 1 "[ .+ 1 ]" 1
182 1 14 U H5' 1 14 U H6 . 3.000 6.000 3.750 3.592 3.896 . 0 0 "[ . 1 ]" 1
183 1 14 U H5'' 1 14 U H6 . 3.000 6.000 4.176 4.107 4.254 . 0 0 "[ . 1 ]" 1
184 1 15 C H1' 1 15 C H6 . 3.000 6.000 3.737 3.700 3.773 . 0 0 "[ . 1 ]" 1
185 1 15 C H1' 1 15 C H2' . 2.742 3.242 2.782 2.762 2.837 . 0 0 "[ . 1 ]" 1
186 1 15 C H2' 1 15 C H6 . 2.963 3.463 3.361 3.149 3.629 0.166 12 0 "[ . 1 ]" 1
187 1 15 C H5 1 15 C H6 . . 3.000 2.404 2.392 2.415 . 0 0 "[ . 1 ]" 1
188 1 15 C H3' 1 15 C H6 . . 4.000 2.224 2.032 2.549 . 0 0 "[ . 1 ]" 1
189 1 15 C H1' 1 15 C H3' . 2.969 3.469 3.764 3.735 3.782 0.313 13 0 "[ . 1 ]" 1
190 1 15 C H1' 1 15 C H4' . . 6.000 3.163 2.978 3.219 . 0 0 "[ . 1 ]" 1
191 1 15 C H2' 1 15 C H5 . 3.000 6.000 4.826 4.586 5.085 . 0 0 "[ . 1 ]" 1
192 1 15 C H4' 1 15 C H6 . . 6.000 4.175 4.115 4.295 . 0 0 "[ . 1 ]" 1
193 1 16 A H1' 1 16 A H8 . 3.874 4.284 3.862 3.796 3.922 0.078 1 0 "[ . 1 ]" 1
194 1 16 A H1' 1 16 A H2 . 4.000 6.000 4.586 4.470 4.712 . 0 0 "[ . 1 ]" 1
195 1 16 A H1' 1 16 A H2' . 2.855 3.355 2.883 2.761 3.045 0.094 10 0 "[ . 1 ]" 1
196 1 16 A H2' 1 16 A H8 . 3.110 3.610 3.368 2.403 3.938 0.707 14 1 "[ . 1 +]" 1
197 1 16 A H1' 1 16 A H3' . . 6.000 3.801 3.729 3.875 . 0 0 "[ . 1 ]" 1
198 1 16 A H3' 1 16 A H8 . . 6.000 3.565 2.454 4.816 . 0 0 "[ . 1 ]" 1
199 1 16 A H4' 1 16 A H8 . . 6.000 4.532 4.346 5.075 . 0 0 "[ . 1 ]" 1
200 1 16 A H1' 1 16 A H4' . 3.146 3.646 3.254 3.026 3.566 0.120 14 0 "[ . 1 ]" 1
201 1 16 A H5' 1 16 A H8 . 3.000 6.000 4.034 3.475 4.726 . 0 0 "[ . 1 ]" 1
202 1 16 A H5'' 1 16 A H8 . 3.000 6.000 4.366 2.401 5.165 0.599 3 1 "[ + . 1 ]" 1
203 1 1 G H1' 1 2 G H8 . 4.000 6.000 5.159 2.732 6.275 1.268 13 1 "[ . 1 + ]" 1
204 1 1 G H2' 1 2 G H8 . . 3.000 2.618 2.115 4.162 1.162 9 1 "[ . +1 ]" 1
205 1 1 G H3' 1 2 G H8 . . 4.000 3.433 2.131 3.939 . 0 0 "[ . 1 ]" 1
206 1 2 G H1' 1 3 G H8 . 3.000 6.000 5.024 4.697 5.775 . 0 0 "[ . 1 ]" 1
207 1 2 G H8 1 3 G H8 . 3.000 6.000 4.805 4.582 5.499 . 0 0 "[ . 1 ]" 1
208 1 2 G H2' 1 3 G H8 . 2.292 2.792 2.626 2.185 3.438 0.646 13 1 "[ . 1 + ]" 1
209 1 2 G H3' 1 3 G H8 . . 4.000 3.622 3.162 4.031 0.031 3 0 "[ . 1 ]" 1
210 1 2 G H2' 1 3 G H1' . 3.553 4.053 4.008 3.770 4.209 0.156 11 0 "[ . 1 ]" 1
211 1 2 G H1 1 14 U H3 . 3.000 6.000 4.611 3.951 5.290 . 0 0 "[ . 1 ]" 1
212 1 2 G H1 1 16 A H2 . . 6.000 5.672 4.746 7.596 1.596 13 4 "[ . - ** + ]" 1
213 1 2 G N2 1 3 G H1' . 3.500 6.000 3.212 2.708 3.730 0.792 13 3 "[ . * 1 -+ ]" 1
214 1 3 G H1' 1 4 U H6 . 4.000 6.000 5.001 4.809 5.460 . 0 0 "[ . 1 ]" 1
215 1 3 G H8 1 4 U H5 . 4.000 6.000 3.979 3.574 5.234 0.426 9 0 "[ . 1 ]" 1
216 1 3 G H8 1 4 U H6 . 4.000 6.000 4.546 4.331 5.011 . 0 0 "[ . 1 ]" 1
217 1 3 G H2' 1 4 U H6 . 2.632 3.132 2.590 2.313 3.174 0.319 6 0 "[ . 1 ]" 1
218 1 3 G H2' 1 4 U H1' . 3.000 6.000 4.071 3.781 4.215 . 0 0 "[ . 1 ]" 1
219 1 3 G H1 1 4 U H3 . 3.000 6.000 3.805 3.224 4.545 . 0 0 "[ . 1 ]" 1
220 1 3 G H1 1 13 G H1 . . 6.000 3.671 3.271 4.368 . 0 0 "[ . 1 ]" 1
221 1 3 G H1 1 14 U H3 . . 3.500 2.183 1.915 3.450 . 0 0 "[ . 1 ]" 1
222 1 3 G H1 1 14 U H1' . 3.000 6.000 4.473 3.735 5.617 . 0 0 "[ . 1 ]" 1
223 1 3 G N2 1 4 U H1' . 3.500 6.000 3.057 2.651 3.556 0.849 13 7 "[- * ** 1**+ ]" 1
224 1 4 U H1' 1 5 G H8 . 4.000 6.000 4.776 4.605 5.121 . 0 0 "[ . 1 ]" 1
225 1 4 U H2' 1 5 G H8 . 2.346 2.846 2.248 2.028 2.859 0.318 12 0 "[ . 1 ]" 1
226 1 4 U H3' 1 5 G H8 . . 4.000 3.703 3.364 4.268 0.268 7 0 "[ . 1 ]" 1
227 1 4 U H2' 1 5 G H1' . 3.000 6.000 4.465 4.176 4.900 . 0 0 "[ . 1 ]" 1
228 1 4 U H3 1 13 G H1 . . 3.500 2.167 1.898 3.021 . 0 0 "[ . 1 ]" 1
229 1 4 U H1' 1 13 G H1 . 3.000 6.000 4.404 3.949 4.794 . 0 0 "[ . 1 ]" 1
230 1 4 U H3 1 14 U H3 . 3.000 6.000 3.806 2.441 4.760 0.559 10 1 "[ . + ]" 1
231 1 5 G H1' 1 6 C H6 . 3.500 4.000 4.932 4.743 5.241 1.241 8 14 [****-**+******] 1
232 1 5 G H3' 1 6 C H6 . 2.911 3.411 3.361 3.112 3.758 0.347 8 0 "[ . 1 ]" 1
233 1 5 G H8 1 6 C H5 . 4.000 6.000 3.912 3.637 4.281 0.363 13 0 "[ . 1 ]" 1
234 1 5 G H3' 1 6 C H5 . 3.000 6.000 4.024 3.589 4.970 . 0 0 "[ . 1 ]" 1
235 1 5 G H2' 1 6 C H5 . 2.817 4.000 4.077 3.670 4.842 0.842 14 3 "[ . -* 1 +]" 1
236 1 5 G H8 1 6 C H6 . 3.000 6.000 4.540 4.054 4.913 . 0 0 "[ . 1 ]" 1
237 1 5 G H2' 1 6 C H6 . . 3.317 2.415 2.250 2.905 . 0 0 "[ . 1 ]" 1
238 1 5 G H2' 1 6 C H1' . . 4.000 4.088 3.811 4.250 0.250 2 0 "[ . 1 ]" 1
239 1 5 G H1 1 6 C H42 . . 6.300 5.268 5.010 5.471 . 0 0 "[ . 1 ]" 1
240 1 5 G H1 1 6 C H41 . . 6.000 4.379 4.066 4.679 . 0 0 "[ . 1 ]" 1
241 1 5 G H1 1 11 G H1 . 3.000 6.000 3.467 3.292 3.816 . 0 0 "[ . 1 ]" 1
242 1 5 G H1 1 13 G H8 . 3.000 6.000 4.887 4.234 5.607 . 0 0 "[ . 1 ]" 1
243 1 5 G N2 1 6 C H1' . 3.500 6.000 3.743 3.010 4.203 0.490 11 0 "[ . 1 ]" 1
244 1 6 C H1' 1 7 G H8 . 4.000 6.000 5.083 4.573 5.779 . 0 0 "[ . 1 ]" 1
245 1 6 C H5 1 7 G H8 . 3.693 6.000 4.797 4.478 5.152 . 0 0 "[ . 1 ]" 1
246 1 6 C H2' 1 7 G H8 . . 3.000 2.644 2.237 3.551 0.551 5 1 "[ + 1 ]" 1
247 1 6 C H2' 1 7 G H1' . 3.000 6.000 4.452 4.083 5.128 . 0 0 "[ . 1 ]" 1
248 1 6 C H3' 1 7 G H8 . . 4.000 3.439 3.197 3.670 . 0 0 "[ . 1 ]" 1
249 1 6 C H6 1 11 G H1 . 5.500 6.000 5.845 5.778 5.958 . 0 0 "[ . 1 ]" 1
250 1 7 G H1' 1 8 A H8 . 4.000 6.000 5.977 5.658 6.360 0.360 7 0 "[ . 1 ]" 1
251 1 7 G H2' 1 8 A H8 . 3.488 3.988 4.488 4.171 4.755 0.767 14 7 "[-* ** *1 *+]" 1
252 1 7 G H3' 1 8 A H8 . 3.548 4.048 4.996 4.582 5.243 1.195 5 14 [****+********-] 1
253 1 7 G H1' 1 9 G H8 . 3.500 6.000 4.000 3.616 4.409 . 0 0 "[ . 1 ]" 1
254 1 7 G H2' 1 9 G H8 . 3.145 3.645 3.439 2.939 3.829 0.206 2 0 "[ . 1 ]" 1
255 1 7 G H1 1 11 G H1 . 3.000 6.000 4.772 4.329 5.535 . 0 0 "[ . 1 ]" 1
256 1 7 G H8 1 11 G H1 . 3.000 6.000 5.007 3.926 5.568 . 0 0 "[ . 1 ]" 1
257 1 7 G H1 1 10 A H8 . . 6.000 4.951 4.497 5.341 . 0 0 "[ . 1 ]" 1
258 1 7 G H1 1 11 G H8 . . 6.000 5.101 4.267 5.707 . 0 0 "[ . 1 ]" 1
259 1 7 G H1 1 9 G H8 . . 6.000 5.301 4.605 6.541 0.541 6 1 "[ .+ 1 ]" 1
260 1 8 A H1' 1 9 G H8 . 3.000 6.000 5.226 4.925 5.484 . 0 0 "[ . 1 ]" 1
261 1 8 A H2 1 9 G H1' . 3.137 3.637 2.933 2.599 3.381 0.538 10 1 "[ . + ]" 1
262 1 8 A H8 1 9 G H8 . 4.000 6.000 5.765 5.373 6.382 0.382 2 0 "[ . 1 ]" 1
263 1 8 A H2' 1 9 G H8 . 2.738 3.238 2.545 2.309 2.800 0.429 7 0 "[ . 1 ]" 1
264 1 8 A H3' 1 9 G H8 . . 3.000 3.211 2.751 3.879 0.879 2 3 "[ + . 1 *-]" 1
265 1 8 A H2' 1 9 G H1' . 4.000 6.000 3.965 3.692 4.522 0.308 7 0 "[ . 1 ]" 1
266 1 9 G H1' 1 10 A H8 . 3.000 6.000 5.138 4.636 6.058 0.058 8 0 "[ . 1 ]" 1
267 1 9 G H8 1 10 A H8 . 4.000 6.000 4.971 4.207 5.759 . 0 0 "[ . 1 ]" 1
268 1 9 G H2' 1 10 A H8 . 2.281 2.781 2.553 2.035 3.498 0.717 8 1 "[ . + 1 ]" 1
269 1 9 G H3' 1 10 A H8 . . 3.000 3.115 2.554 3.526 0.526 2 1 "[ + . 1 ]" 1
270 1 9 G H2' 1 10 A H1' . 2.813 6.000 3.735 2.904 4.146 . 0 0 "[ . 1 ]" 1
271 1 9 G H1' 1 10 A H2 . 3.000 6.000 7.450 6.223 8.499 2.499 7 11 "[*** **+ -****]" 1
272 1 9 G H1 1 10 A H2 . 3.000 6.000 4.282 3.671 4.768 . 0 0 "[ . 1 ]" 1
273 1 10 A H1' 1 11 G H8 . 4.000 6.000 7.293 6.499 7.972 1.972 6 13 "[*** *+***-****]" 1
274 1 10 A H8 1 11 G H8 . 3.000 6.000 4.685 3.646 5.655 . 0 0 "[ . 1 ]" 1
275 1 10 A H2' 1 11 G H8 . 3.417 3.917 5.260 4.537 6.089 2.172 6 14 [***-*+********] 1
276 1 10 A H3' 1 11 G H8 . . 4.000 3.979 3.179 4.620 0.620 6 1 "[ .+ 1 ]" 1
277 1 10 A H2 1 11 G H1' . . 4.305 5.241 4.965 5.709 1.404 13 14 [*******-****+*] 1
278 1 10 A H8 1 11 G H1' . 3.511 4.011 3.382 3.110 3.663 0.401 11 0 "[ . 1 ]" 1
279 1 10 A H2' 1 11 G H1' . 3.500 6.000 3.678 3.394 4.030 0.106 3 0 "[ . 1 ]" 1
280 1 10 A H62 1 11 G H1 . . 6.000 4.985 4.296 5.524 . 0 0 "[ . 1 ]" 1
281 1 11 G H1' 1 12 C H6 . 4.000 6.000 4.835 4.668 5.202 . 0 0 "[ . 1 ]" 1
282 1 11 G H8 1 12 C H5 . 4.000 6.000 4.063 3.823 4.404 0.177 6 0 "[ . 1 ]" 1
283 1 11 G H2' 1 12 C H5 . 3.079 3.579 3.753 3.600 3.879 0.300 5 0 "[ . 1 ]" 1
284 1 11 G H3' 1 12 C H5 . 3.162 3.662 3.386 2.992 3.754 0.170 4 0 "[ . 1 ]" 1
285 1 11 G H8 1 12 C H6 . 4.000 6.000 4.999 4.763 5.376 . 0 0 "[ . 1 ]" 1
286 1 11 G H2' 1 12 C H6 . 2.244 2.752 2.268 2.158 2.614 0.086 14 0 "[ . 1 ]" 1
287 1 11 G H2' 1 12 C H1' . 3.837 4.337 4.020 3.843 4.268 . 0 0 "[ . 1 ]" 1
288 1 11 G H3' 1 12 C H6 . 2.887 3.387 3.039 2.644 3.205 0.243 4 0 "[ . 1 ]" 1
289 1 11 G H1 1 12 C H6 . 3.000 6.000 6.215 5.586 6.725 0.725 9 2 "[ . +1 - ]" 1
290 1 11 G H1' 1 12 C Q5' . 3.000 6.000 4.761 4.657 5.157 . 0 0 "[ . 1 ]" 1
291 1 11 G H1 1 12 C H41 . . 6.000 4.149 3.920 4.482 . 0 0 "[ . 1 ]" 1
292 1 11 G H21 1 12 C H1' . . 6.000 4.184 3.836 4.569 . 0 0 "[ . 1 ]" 1
293 1 11 G N2 1 12 C H1' . 3.500 6.000 3.694 3.364 4.003 0.136 11 0 "[ . 1 ]" 1
294 1 12 C H1' 1 13 G H8 . 3.000 6.000 4.741 4.523 5.506 . 0 0 "[ . 1 ]" 1
295 1 12 C H2' 1 13 G H8 . . 4.000 2.327 2.032 3.323 . 0 0 "[ . 1 ]" 1
296 1 12 C H2' 1 13 G H1' . 3.430 3.930 4.287 4.055 4.525 0.595 11 3 "[ . - *+ ]" 1
297 1 12 C H3' 1 13 G H8 . . 4.000 3.565 3.174 4.112 0.112 13 0 "[ . 1 ]" 1
298 1 12 C H2' 1 14 U H5 . 3.000 6.000 5.892 5.172 6.896 0.896 13 1 "[ . 1 + ]" 1
299 1 12 C H5 1 13 G H8 . 3.000 6.000 4.914 4.053 5.405 . 0 0 "[ . 1 ]" 1
300 1 13 G H1' 1 14 U H6 . 3.454 3.954 5.167 4.877 5.601 1.647 11 14 [*********-+***] 1
301 1 13 G H2' 1 14 U H5 . 3.296 3.796 4.134 3.698 4.662 0.866 14 4 "[- . * 1* +]" 1
302 1 13 G H3' 1 14 U H5 . . 4.000 3.386 2.980 3.744 . 0 0 "[ . 1 ]" 1
303 1 13 G H8 1 14 U H5 . 3.636 4.136 3.685 3.452 3.978 0.184 14 0 "[ . 1 ]" 1
304 1 13 G H8 1 14 U H6 . 3.000 6.000 4.684 4.410 5.088 . 0 0 "[ . 1 ]" 1
305 1 13 G H2' 1 14 U H6 . 2.491 3.491 2.648 2.320 3.209 0.171 10 0 "[ . 1 ]" 1
306 1 13 G H2' 1 14 U H1' . 3.468 3.968 4.131 3.893 4.469 0.501 11 1 "[ . 1+ ]" 1
307 1 13 G H3' 1 14 U H6 . . 4.000 2.882 2.481 3.230 . 0 0 "[ . 1 ]" 1
308 1 13 G H1 1 14 U H3 . 3.000 4.500 3.636 3.317 4.428 . 0 0 "[ . 1 ]" 1
309 1 13 G H8 1 14 U H3 . 3.000 6.000 6.364 5.254 6.801 0.801 12 8 "[*-* ** **+ ]" 1
310 1 4 U H1' 1 13 G N2 . . 6.000 5.046 4.346 6.188 0.188 10 0 "[ . 1 ]" 1
311 1 14 U H1' 1 15 C H6 . 3.000 6.000 5.142 4.886 5.804 . 0 0 "[ . 1 ]" 1
312 1 14 U H2' 1 15 C H6 . 2.187 2.687 2.474 2.252 3.225 0.538 10 1 "[ . + ]" 1
313 1 14 U H2' 1 15 C H5 . 2.622 3.122 3.601 3.293 3.803 0.681 8 8 "[-* ** + * ** ]" 1
314 1 14 U H3' 1 15 C H5 . 3.000 6.000 4.087 2.986 4.602 0.014 10 0 "[ . 1 ]" 1
315 1 14 U H2' 1 15 C H1' . 3.126 3.626 4.115 3.562 4.533 0.907 14 6 "[- **. * 1* +]" 1
316 1 14 U H3' 1 15 C H6 . . 4.000 3.612 2.936 4.060 0.060 13 0 "[ . 1 ]" 1
317 1 14 U H3 1 15 C H41 . 3.000 5.500 3.254 2.905 3.675 0.095 13 0 "[ . 1 ]" 1
318 1 14 U H3 1 15 C H42 . 3.000 5.500 3.647 2.910 4.211 0.090 8 0 "[ . 1 ]" 1
319 1 14 U H3 1 15 C H6 . 3.000 5.500 5.556 4.794 6.722 1.222 10 1 "[ . + ]" 1
320 1 15 C H1' 1 16 A H8 . 4.000 6.000 4.986 4.529 6.040 0.040 13 0 "[ . 1 ]" 1
321 1 15 C H6 1 16 A H8 . 4.000 6.000 4.541 3.757 5.404 0.243 7 0 "[ . 1 ]" 1
322 1 15 C H2' 1 16 A H8 . 2.590 3.090 2.416 2.147 3.332 0.443 1 0 "[ . 1 ]" 1
323 1 15 C H3' 1 16 A H8 . . 4.000 3.605 2.936 4.156 0.156 11 0 "[ . 1 ]" 1
324 1 15 C H2' 1 16 A H1' . 4.000 6.000 4.939 4.254 6.153 0.153 13 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 22
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 411.740
_Distance_constraint_stats_list.Viol_max 1.594
_Distance_constraint_stats_list.Viol_rms 0.2493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0955
_Distance_constraint_stats_list.Viol_average_violations_only 0.4525
_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 10.269 1.594 11 9 "[*** -* * *+* ]"
1 2 G 4.859 0.840 11 4 "[ -* .* 1+ ]"
1 3 G 2.520 0.372 14 0 "[ . 1 ]"
1 4 U 2.520 0.372 14 0 "[ . 1 ]"
1 6 C 0.000 0.000 . 0 "[ . 1 ]"
1 7 G 3.813 1.259 14 3 "[ * . 1 *+]"
1 8 A 3.813 1.259 14 3 "[ * . 1 *+]"
1 9 G 0.000 0.000 . 0 "[ . 1 ]"
1 10 A 1.584 0.810 6 2 "[ .+ 1 -]"
1 11 G 0.000 0.000 . 0 "[ . 1 ]"
1 13 G 1.183 0.385 12 0 "[ . 1 ]"
1 14 U 7.271 0.917 9 5 "[ * *- * +1 ]"
1 15 C 6.107 0.917 9 5 "[ * *- * +1 ]"
1 16 A 13.276 1.594 11 9 "[*** -* * *+* ]"
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 10 A H5' 1 10 A H8 . 3.000 . 3.955 3.842 4.102 . 0 0 "[ . 1 ]" 2
2 1 10 A H5'' 1 10 A H8 . 3.000 . 3.908 2.190 4.282 0.810 6 2 "[ .+ 1 -]" 2
3 1 15 C H5' 1 15 C H6 . 3.000 . 4.014 3.811 4.438 . 0 0 "[ . 1 ]" 2
4 1 15 C H5'' 1 15 C H6 . 3.000 . 4.079 2.980 4.246 0.020 8 0 "[ . 1 ]" 2
5 1 1 G H2' 1 2 G H1' . 4.500 . 4.736 4.221 5.697 0.279 11 0 "[ . 1 ]" 2
6 1 1 G H2' 1 16 A H2 . 4.500 . 4.615 2.906 9.067 1.594 11 9 "[*** -* * *+* ]" 2
7 1 2 G H8 1 16 A H2 . 4.500 . 4.967 3.660 9.210 0.840 11 4 "[ -* .* 1+ ]" 2
8 1 3 G H3' 1 4 U H6 . . . 3.090 2.474 5.176 . 0 0 "[ . 1 ]" 2
9 1 3 G H2' 1 4 U H5 . 4.500 . 4.395 4.128 5.160 0.372 14 0 "[ . 1 ]" 2
10 1 4 U H2' 1 6 C H5 . 4.500 . 6.070 5.557 6.990 . 0 0 "[ . 1 ]" 2
11 1 4 U H1' 1 15 C H1' . 4.500 . 7.154 5.881 8.324 . 0 0 "[ . 1 ]" 2
12 1 7 G H1' 1 8 A H2 . 3.000 . 7.211 6.826 7.732 . 0 0 "[ . 1 ]" 2
13 1 7 G H5' 1 8 A H8 . 4.500 . 6.606 5.084 7.404 . 0 0 "[ . 1 ]" 2
14 1 7 G H5'' 1 8 A H8 . 4.500 . 5.355 3.875 6.154 0.625 14 1 "[ . 1 +]" 2
15 1 7 G H4' 1 9 G H8 . 4.500 . 6.042 5.708 6.444 . 0 0 "[ . 1 ]" 2
16 1 7 G H4' 1 8 A H8 . 4.500 . 4.496 3.241 5.374 1.259 14 3 "[ - . 1 *+]" 2
17 1 9 G H1' 1 10 A H1' . 4.500 . 5.352 5.052 5.589 . 0 0 "[ . 1 ]" 2
18 1 10 A H2 1 11 G H2' . 4.500 . 6.428 5.875 6.841 . 0 0 "[ . 1 ]" 2
19 1 10 A H1' 1 11 G H4' . 4.500 . 5.085 4.835 5.468 . 0 0 "[ . 1 ]" 2
20 1 13 G N2 1 14 U H1' . 3.500 . 3.830 3.115 4.604 0.385 12 0 "[ . 1 ]" 2
21 1 13 G H1' 1 14 U H5' . 4.500 . 5.030 4.804 5.401 . 0 0 "[ . 1 ]" 2
22 1 14 U H5 1 15 C H5 . 4.500 . 4.067 3.583 4.527 0.917 9 5 "[ * *- * +1 ]" 2
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