NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379183 |
1ht4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ht4
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 257
_Distance_constraint_stats_list.Viol_count 401
_Distance_constraint_stats_list.Viol_total 147.944
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0412
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0160
_Distance_constraint_stats_list.Viol_average_violations_only 0.0615
_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 DC 0.606 0.090 6 0 "[ . ]"
1 2 DG 0.739 0.088 1 0 "[ . ]"
1 3 DC 1.904 0.126 5 0 "[ . ]"
1 4 DA 1.438 0.117 5 0 "[ . ]"
1 5 DT 0.954 0.117 5 0 "[ . ]"
1 6 DG 0.378 0.079 3 0 "[ . ]"
1 7 3DR 0.076 0.035 3 0 "[ . ]"
1 8 DG 0.157 0.058 2 0 "[ . ]"
1 9 DT 1.546 0.157 6 0 "[ . ]"
1 10 DA 1.404 0.083 1 0 "[ . ]"
1 11 DC 4.465 0.205 3 0 "[ . ]"
1 12 DG 1.650 0.146 5 0 "[ . ]"
1 13 DC 1.044 0.109 1 0 "[ . ]"
2 1 DG 2.090 0.200 2 0 "[ . ]"
2 2 DC 1.534 0.163 3 0 "[ . ]"
2 3 DG 1.074 0.089 5 0 "[ . ]"
2 4 DT 0.836 0.089 5 0 "[ . ]"
2 5 DA 2.371 0.168 3 0 "[ . ]"
2 6 DC 2.604 0.168 3 0 "[ . ]"
2 7 DA 0.218 0.058 3 0 "[ . ]"
2 8 3DR 0.207 0.075 5 0 "[ . ]"
2 9 DA 1.137 0.116 1 0 "[ . ]"
2 10 DT 0.784 0.116 1 0 "[ . ]"
2 11 DG 0.647 0.081 1 0 "[ . ]"
2 12 DC 3.439 0.382 6 0 "[ . ]"
2 13 DG 1.079 0.109 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 1 1 DC H1' 1 1 DC H3' 3.869 3.269 4.469 3.815 3.806 3.833 . 0 0 "[ . ]" 1
2 1 1 DC H1' 1 1 DC H6 3.150 2.550 3.750 3.708 3.646 3.760 0.010 1 0 "[ . ]" 1
3 1 1 DC H1' 1 2 DG H8 4.005 3.405 4.605 4.115 3.518 4.625 0.020 6 0 "[ . ]" 1
4 1 1 DC H2' 1 1 DC H6 2.710 2.110 3.310 2.729 2.076 3.383 0.073 5 0 "[ . ]" 1
5 1 1 DC H2'' 1 1 DC H3' 4.165 3.065 4.265 3.073 3.032 3.114 0.033 2 0 "[ . ]" 1
6 1 1 DC H2'' 1 1 DC H6 3.421 2.821 4.021 3.787 3.406 4.111 0.090 6 0 "[ . ]" 1
7 1 2 DG H1' 1 2 DG H3' 3.954 3.354 4.554 3.732 3.688 3.773 . 0 0 "[ . ]" 1
8 1 2 DG H1' 1 2 DG H8 3.858 3.258 4.458 3.854 3.836 3.872 . 0 0 "[ . ]" 1
9 1 2 DG H1' 1 3 DC H6 3.144 2.544 3.744 2.748 2.577 2.947 . 0 0 "[ . ]" 1
10 1 2 DG H2' 1 2 DG H8 2.264 . 2.864 2.174 2.095 2.278 . 0 0 "[ . ]" 1
11 1 2 DG H2'' 1 3 DC H5 3.127 2.527 3.727 2.583 2.491 2.714 0.036 6 0 "[ . ]" 1
12 1 2 DG H2'' 1 3 DC H6 2.644 2.044 3.244 2.361 2.089 2.679 . 0 0 "[ . ]" 1
13 1 2 DG H3' 1 2 DG H8 3.771 3.171 4.371 4.402 4.378 4.424 0.053 3 0 "[ . ]" 1
14 1 2 DG H3' 1 3 DC H6 4.562 3.962 5.162 4.825 4.662 5.020 . 0 0 "[ . ]" 1
15 1 2 DG H8 1 3 DC H5 4.074 3.474 4.674 3.596 3.509 3.650 . 0 0 "[ . ]" 1
16 1 2 DG H8 1 3 DC H6 4.186 3.586 4.786 4.858 4.832 4.874 0.088 1 0 "[ . ]" 1
17 1 3 DC H1' 1 3 DC H2' 2.900 2.300 3.500 3.028 3.025 3.031 . 0 0 "[ . ]" 1
18 1 3 DC H1' 1 3 DC H2'' 2.372 . 2.972 2.459 2.454 2.465 . 0 0 "[ . ]" 1
19 1 3 DC H1' 1 3 DC H6 3.846 3.246 4.446 3.680 3.660 3.697 . 0 0 "[ . ]" 1
20 1 3 DC H2' 1 3 DC H5 3.529 2.929 4.129 4.187 4.180 4.192 0.063 6 0 "[ . ]" 1
21 1 3 DC H2' 1 3 DC H6 2.252 . 2.852 2.102 2.093 2.108 . 0 0 "[ . ]" 1
22 1 3 DC H2' 1 4 DA H8 3.495 2.895 4.095 3.313 3.234 3.386 . 0 0 "[ . ]" 1
23 1 3 DC H2'' 1 3 DC H6 3.255 2.655 3.855 3.639 3.621 3.657 . 0 0 "[ . ]" 1
24 1 3 DC H2'' 1 4 DA H8 2.924 2.324 3.524 2.395 2.290 2.569 0.034 1 0 "[ . ]" 1
25 1 3 DC H3' 1 3 DC H6 4.059 3.459 4.659 4.020 3.985 4.044 . 0 0 "[ . ]" 1
26 1 3 DC H3' 1 4 DA H8 4.647 4.047 5.247 5.025 4.932 5.168 . 0 0 "[ . ]" 1
27 1 3 DC H4' 1 3 DC H6 3.431 2.831 4.031 4.152 4.143 4.157 0.126 5 0 "[ . ]" 1
28 1 3 DC H6 1 4 DA H8 3.724 3.124 4.324 4.370 4.349 4.382 0.058 1 0 "[ . ]" 1
29 1 4 DA H1' 1 4 DA H2 3.945 3.345 4.545 4.522 4.501 4.548 0.003 2 0 "[ . ]" 1
30 1 4 DA H1' 1 4 DA H2' 2.918 2.318 3.518 3.007 2.999 3.017 . 0 0 "[ . ]" 1
31 1 4 DA H1' 1 4 DA H3' 4.241 3.641 4.841 3.742 3.730 3.748 . 0 0 "[ . ]" 1
32 1 4 DA H1' 1 5 DT H6 3.557 2.957 4.157 3.578 3.461 3.644 . 0 0 "[ . ]" 1
33 1 4 DA H2 2 10 DT H1' 4.583 3.983 5.183 5.097 5.024 5.203 0.020 2 0 "[ . ]" 1
34 1 4 DA H2' 1 4 DA H8 2.332 . 2.932 2.383 2.319 2.439 . 0 0 "[ . ]" 1
35 1 4 DA H2' 1 5 DT H6 3.397 2.797 3.997 4.062 4.035 4.097 0.100 3 0 "[ . ]" 1
36 1 4 DA H2'' 1 5 DT H6 2.580 . 3.180 2.504 2.482 2.519 . 0 0 "[ . ]" 1
37 1 4 DA H3' 1 4 DA H8 3.754 3.154 4.354 4.381 4.349 4.400 0.046 1 0 "[ . ]" 1
38 1 4 DA H3' 1 5 DT H6 4.440 3.840 5.040 5.129 5.091 5.157 0.117 5 0 "[ . ]" 1
39 1 5 DT H1' 1 5 DT H2' 3.342 2.742 3.942 3.094 3.087 3.103 . 0 0 "[ . ]" 1
40 1 5 DT H1' 1 5 DT H2'' 2.261 . 2.861 2.523 2.491 2.557 . 0 0 "[ . ]" 1
41 1 5 DT H1' 1 5 DT H4' 2.835 2.235 3.435 2.955 2.843 3.031 . 0 0 "[ . ]" 1
42 1 5 DT H1' 1 5 DT H6 3.473 2.873 4.073 3.726 3.685 3.753 . 0 0 "[ . ]" 1
43 1 5 DT H1' 1 6 DG H8 4.744 4.144 5.344 4.522 4.231 5.214 . 0 0 "[ . ]" 1
44 1 5 DT H1' 2 9 DA H2 4.603 4.003 5.203 5.054 4.932 5.187 . 0 0 "[ . ]" 1
45 1 5 DT H2'' 1 5 DT H3' 3.034 2.434 3.634 2.725 2.696 2.752 . 0 0 "[ . ]" 1
46 1 5 DT H2'' 1 6 DG H8 3.868 3.268 4.468 4.366 4.216 4.442 . 0 0 "[ . ]" 1
47 1 5 DT H4' 1 5 DT H6 4.116 3.516 4.716 4.701 4.679 4.740 0.024 1 0 "[ . ]" 1
48 1 5 DT H6 1 6 DG H4' 4.612 4.012 5.212 5.187 5.165 5.213 0.001 4 0 "[ . ]" 1
49 1 5 DT H6 1 6 DG H8 6.000 5.000 7.000 5.503 5.213 5.722 . 0 0 "[ . ]" 1
50 1 6 DG H1' 1 6 DG H2' 3.043 2.443 3.643 3.032 3.031 3.034 . 0 0 "[ . ]" 1
51 1 6 DG H1' 1 6 DG H2'' 2.538 . 3.138 2.464 2.449 2.483 . 0 0 "[ . ]" 1
52 1 6 DG H1' 1 6 DG H3' 4.174 3.574 4.774 3.608 3.591 3.621 . 0 0 "[ . ]" 1
53 1 6 DG H1' 1 6 DG H4' 3.133 2.533 3.733 3.680 3.668 3.690 . 0 0 "[ . ]" 1
54 1 6 DG H1' 1 6 DG H8 3.875 3.275 4.475 3.900 3.880 3.914 . 0 0 "[ . ]" 1
55 1 6 DG H1' 1 8 DG H8 5.304 4.704 5.904 5.777 5.463 5.962 0.058 2 0 "[ . ]" 1
56 1 6 DG H2' 1 6 DG H8 2.561 . 3.161 2.382 2.353 2.458 . 0 0 "[ . ]" 1
57 1 6 DG H2'' 1 6 DG H8 4.051 3.451 4.651 3.552 3.502 3.696 . 0 0 "[ . ]" 1
58 1 6 DG H3' 1 6 DG H8 4.169 3.569 4.769 4.729 4.719 4.739 . 0 0 "[ . ]" 1
59 1 6 DG H4' 1 6 DG H8 4.563 3.963 5.163 3.912 3.884 3.934 0.079 3 0 "[ . ]" 1
60 1 6 DG N2 2 7 DA H2 7.000 5.000 7.500 6.680 6.399 6.822 . 0 0 "[ . ]" 1
61 1 6 DG N2 2 9 DA H2 7.000 5.000 7.500 5.882 5.452 6.268 . 0 0 "[ . ]" 1
62 1 7 3DR H3' 1 8 DG H8 3.335 2.735 3.935 3.083 2.700 3.634 0.035 3 0 "[ . ]" 1
63 1 8 DG H1' 1 8 DG H2' 2.596 . 3.196 3.028 3.021 3.039 . 0 0 "[ . ]" 1
64 1 8 DG H1' 1 8 DG H8 4.098 3.498 4.698 3.852 3.847 3.857 . 0 0 "[ . ]" 1
65 1 8 DG H1' 1 9 DT H6 3.193 2.593 3.793 3.147 2.937 3.381 . 0 0 "[ . ]" 1
66 1 8 DG H2' 1 8 DG H3' 2.162 . 2.762 2.208 2.167 2.233 . 0 0 "[ . ]" 1
67 1 8 DG H2' 1 8 DG H8 2.292 . 2.892 2.029 1.943 2.089 . 0 0 "[ . ]" 1
68 1 8 DG H2'' 1 8 DG H3' 2.473 . 3.073 2.625 2.607 2.635 . 0 0 "[ . ]" 1
69 1 8 DG H2'' 1 8 DG H8 3.690 3.090 4.290 3.509 3.423 3.569 . 0 0 "[ . ]" 1
70 1 8 DG H2'' 1 9 DT H2' 3.234 2.634 3.834 3.807 3.773 3.838 0.004 3 0 "[ . ]" 1
71 1 8 DG H2'' 1 9 DT H6 2.677 2.077 3.277 2.328 2.309 2.356 . 0 0 "[ . ]" 1
72 1 8 DG H3' 1 8 DG H4' 2.545 . 3.145 2.736 2.717 2.759 . 0 0 "[ . ]" 1
73 1 8 DG H4' 1 8 DG H8 3.947 3.347 4.547 4.538 4.518 4.552 0.005 1 0 "[ . ]" 1
74 1 8 DG H8 1 9 DT H6 4.844 4.244 5.444 5.119 4.933 5.245 . 0 0 "[ . ]" 1
75 1 9 DT H1' 1 9 DT H2' 2.803 2.203 3.403 3.057 3.048 3.060 . 0 0 "[ . ]" 1
76 1 9 DT H1' 1 9 DT H2'' 2.370 . 2.970 2.514 2.506 2.531 . 0 0 "[ . ]" 1
77 1 9 DT H1' 1 9 DT H3' 3.985 3.385 4.585 3.732 3.716 3.751 . 0 0 "[ . ]" 1
78 1 9 DT H1' 1 9 DT H6 3.935 3.335 4.535 3.660 3.658 3.665 . 0 0 "[ . ]" 1
79 1 9 DT H2' 1 9 DT H6 2.246 . 2.846 1.925 1.912 1.936 . 0 0 "[ . ]" 1
80 1 9 DT H2' 1 10 DA H8 3.455 2.855 4.055 3.996 3.864 4.059 0.004 6 0 "[ . ]" 1
81 1 9 DT H2'' 1 9 DT H6 2.692 2.092 3.292 3.314 3.308 3.329 0.037 2 0 "[ . ]" 1
82 1 9 DT H2'' 1 10 DA H8 3.013 2.413 3.613 2.354 2.330 2.369 0.083 1 0 "[ . ]" 1
83 1 9 DT H3' 1 10 DA H8 4.184 3.584 4.784 4.809 4.780 4.855 0.071 1 0 "[ . ]" 1
84 1 9 DT H4' 1 9 DT H6 3.710 3.110 4.310 4.460 4.436 4.467 0.157 6 0 "[ . ]" 1
85 1 10 DA H1' 1 10 DA H2 4.260 3.660 4.860 4.621 4.610 4.636 . 0 0 "[ . ]" 1
86 1 10 DA H1' 1 10 DA H2' 2.429 . 3.029 3.027 3.025 3.029 0.000 5 0 "[ . ]" 1
87 1 10 DA H1' 1 11 DC H5 4.546 3.946 5.146 4.241 4.167 4.289 . 0 0 "[ . ]" 1
88 1 10 DA H1' 1 11 DC H6 3.422 2.822 4.022 3.180 3.112 3.284 . 0 0 "[ . ]" 1
89 1 10 DA H1' 2 5 DA H2 4.583 4.283 5.483 4.519 4.276 4.858 0.007 1 0 "[ . ]" 1
90 1 10 DA H2 1 11 DC H1' 4.244 3.644 4.844 4.337 4.140 4.553 . 0 0 "[ . ]" 1
91 1 10 DA H2 2 4 DT H1' 4.466 4.166 5.366 5.175 5.046 5.333 . 0 0 "[ . ]" 1
92 1 10 DA H2 2 5 DA H1' 4.970 4.670 5.870 4.648 4.628 4.676 0.042 3 0 "[ . ]" 1
93 1 10 DA H2' 1 10 DA H3' 2.082 . 2.682 2.342 2.332 2.353 . 0 0 "[ . ]" 1
94 1 10 DA H2' 1 10 DA H8 2.141 . 2.741 2.156 2.098 2.207 . 0 0 "[ . ]" 1
95 1 10 DA H2' 1 11 DC H5 3.753 3.153 4.353 3.278 3.263 3.294 . 0 0 "[ . ]" 1
96 1 10 DA H2' 1 11 DC H6 2.860 2.260 3.460 3.507 3.495 3.521 0.061 3 0 "[ . ]" 1
97 1 10 DA H2'' 1 10 DA H3' 2.897 2.297 3.497 2.692 2.688 2.694 . 0 0 "[ . ]" 1
98 1 10 DA H2'' 1 11 DC H5 3.807 3.207 4.407 3.148 3.141 3.156 0.066 6 0 "[ . ]" 1
99 1 10 DA H2'' 1 11 DC H6 2.647 2.047 3.247 2.229 2.216 2.239 . 0 0 "[ . ]" 1
100 1 10 DA H3' 1 10 DA H4' 2.595 . 3.195 2.736 2.718 2.774 . 0 0 "[ . ]" 1
101 1 10 DA H3' 1 10 DA H8 3.580 2.980 4.180 4.128 4.085 4.181 0.001 1 0 "[ . ]" 1
102 1 10 DA H3' 1 11 DC H5 4.750 4.150 5.350 5.368 5.362 5.380 0.030 1 0 "[ . ]" 1
103 1 10 DA H8 1 11 DC H5 3.849 3.249 4.449 3.656 3.513 3.732 . 0 0 "[ . ]" 1
104 1 11 DC H1' 1 11 DC H2'' 2.415 . 3.015 2.462 2.456 2.470 . 0 0 "[ . ]" 1
105 1 11 DC H1' 1 11 DC H4' 2.848 2.248 3.448 3.019 2.987 3.039 . 0 0 "[ . ]" 1
106 1 11 DC H1' 1 11 DC H6 3.673 3.073 4.273 3.680 3.674 3.685 . 0 0 "[ . ]" 1
107 1 11 DC H1' 1 12 DG H3' 4.135 3.535 4.735 4.873 4.866 4.881 0.146 5 0 "[ . ]" 1
108 1 11 DC H2'' 1 11 DC H5 3.984 3.384 4.584 4.783 4.774 4.789 0.205 3 0 "[ . ]" 1
109 1 11 DC H3' 1 11 DC H5 4.485 4.485 5.885 5.834 5.824 5.839 . 0 0 "[ . ]" 1
110 1 11 DC H3' 1 11 DC H6 4.445 3.845 5.045 3.740 3.730 3.750 0.115 4 0 "[ . ]" 1
111 1 11 DC H4' 1 11 DC H6 3.581 2.981 4.181 4.358 4.350 4.363 0.182 1 0 "[ . ]" 1
112 1 11 DC H6 1 12 DG H8 4.639 4.039 5.239 4.610 4.530 4.676 . 0 0 "[ . ]" 1
113 1 12 DG H1' 1 12 DG H2' 2.684 2.084 3.284 3.028 3.024 3.032 . 0 0 "[ . ]" 1
114 1 12 DG H1' 1 12 DG H8 4.358 3.758 4.958 3.845 3.832 3.871 . 0 0 "[ . ]" 1
115 1 12 DG H1' 1 13 DC H6 3.262 2.662 3.862 2.713 2.646 2.805 0.016 2 0 "[ . ]" 1
116 1 12 DG H2'' 1 12 DG H8 2.612 2.012 3.212 3.274 3.263 3.283 0.071 4 0 "[ . ]" 1
117 1 12 DG H3' 1 12 DG H4' 2.563 . 3.163 2.745 2.722 2.781 . 0 0 "[ . ]" 1
118 1 12 DG H3' 1 13 DC H6 4.095 3.495 4.695 4.718 4.701 4.737 0.042 1 0 "[ . ]" 1
119 1 12 DG H4' 1 12 DG H8 4.721 4.121 5.321 5.044 4.996 5.112 . 0 0 "[ . ]" 1
120 1 12 DG H8 1 13 DC H6 4.091 3.491 4.691 4.695 4.422 4.758 0.067 6 0 "[ . ]" 1
121 1 13 DC H1' 1 13 DC H4' 2.810 2.210 3.410 3.364 3.185 3.413 0.003 4 0 "[ . ]" 1
122 1 13 DC H1' 1 13 DC H6 3.515 2.915 4.115 3.727 3.655 3.754 . 0 0 "[ . ]" 1
123 1 13 DC H3' 1 13 DC H4' 2.500 . 3.200 2.757 2.690 3.066 . 0 0 "[ . ]" 1
124 1 13 DC H3' 1 13 DC H6 3.526 2.926 4.126 4.000 2.850 4.235 0.109 1 0 "[ . ]" 1
125 2 1 DG H1' 2 1 DG H3' 4.707 4.107 5.307 3.913 3.907 3.919 0.200 2 0 "[ . ]" 1
126 2 1 DG H1' 2 1 DG H4' 2.733 2.133 3.333 3.380 3.378 3.383 0.050 3 0 "[ . ]" 1
127 2 1 DG H1' 2 1 DG H8 4.642 4.042 5.242 3.972 3.969 3.976 0.073 2 0 "[ . ]" 1
128 2 1 DG H1' 2 2 DC H5 3.681 3.081 4.281 3.850 3.810 3.902 . 0 0 "[ . ]" 1
129 2 1 DG H1' 2 2 DC H6 3.078 2.478 3.678 2.797 2.733 2.831 . 0 0 "[ . ]" 1
130 2 1 DG H2' 2 1 DG H8 2.672 2.072 3.272 2.317 2.262 2.340 . 0 0 "[ . ]" 1
131 2 1 DG H2' 2 2 DC H5 3.246 2.646 3.846 3.459 3.426 3.500 . 0 0 "[ . ]" 1
132 2 1 DG H2'' 2 1 DG H3' 2.513 . 3.113 2.735 2.729 2.743 . 0 0 "[ . ]" 1
133 2 1 DG H2'' 2 1 DG H8 3.201 2.601 3.801 3.725 3.667 3.753 . 0 0 "[ . ]" 1
134 2 1 DG H2'' 2 2 DC H5 3.134 2.534 3.734 2.509 2.496 2.523 0.038 4 0 "[ . ]" 1
135 2 1 DG H3' 2 2 DC H5 4.875 4.275 5.475 5.161 5.133 5.199 . 0 0 "[ . ]" 1
136 2 1 DG H8 2 2 DC H5 4.807 4.207 5.407 4.195 4.188 4.206 0.019 1 0 "[ . ]" 1
137 2 1 DG H8 2 2 DC H6 4.777 4.177 5.377 5.348 5.313 5.379 0.002 3 0 "[ . ]" 1
138 2 2 DC H1' 2 2 DC H2' 3.239 2.639 3.839 3.011 3.009 3.014 . 0 0 "[ . ]" 1
139 2 2 DC H1' 2 2 DC H6 3.418 2.818 4.018 3.826 3.809 3.838 . 0 0 "[ . ]" 1
140 2 2 DC H1' 2 3 DG H8 3.504 2.904 4.104 3.379 3.266 3.488 . 0 0 "[ . ]" 1
141 2 2 DC H2' 2 2 DC H6 2.019 . 2.619 2.338 2.314 2.374 . 0 0 "[ . ]" 1
142 2 2 DC H2' 2 3 DG H8 3.666 3.066 4.266 3.361 3.341 3.387 . 0 0 "[ . ]" 1
143 2 2 DC H2'' 2 2 DC H6 4.448 4.048 5.248 3.902 3.885 3.921 0.163 3 0 "[ . ]" 1
144 2 2 DC H2'' 2 3 DG H8 2.718 2.118 3.318 2.475 2.456 2.506 . 0 0 "[ . ]" 1
145 2 2 DC H3' 2 3 DG H8 4.467 3.867 5.067 5.090 5.082 5.102 0.035 5 0 "[ . ]" 1
146 2 2 DC H6 2 3 DG H8 3.894 3.294 4.494 4.543 4.532 4.558 0.064 2 0 "[ . ]" 1
147 2 3 DG H1' 2 3 DG H3' 3.635 3.035 4.235 3.770 3.743 3.783 . 0 0 "[ . ]" 1
148 2 3 DG H1' 2 3 DG H8 3.971 3.371 4.571 3.906 3.900 3.912 . 0 0 "[ . ]" 1
149 2 3 DG H1' 2 4 DT H6 3.517 2.917 4.117 4.012 3.864 4.125 0.008 2 0 "[ . ]" 1
150 2 3 DG H2' 2 3 DG H8 2.275 . 2.875 2.518 2.447 2.630 . 0 0 "[ . ]" 1
151 2 3 DG H2' 2 4 DT H6 2.927 2.327 3.527 3.607 3.592 3.616 0.089 5 0 "[ . ]" 1
152 2 3 DG H2'' 2 3 DG H8 3.673 3.073 4.273 3.931 3.875 4.004 . 0 0 "[ . ]" 1
153 2 3 DG H3' 2 3 DG H8 4.014 3.414 4.614 4.467 4.374 4.603 . 0 0 "[ . ]" 1
154 2 3 DG H4' 2 3 DG H8 4.222 3.622 4.822 4.848 4.836 4.852 0.030 5 0 "[ . ]" 1
155 2 4 DT H1' 2 4 DT H2'' 2.352 . 2.952 2.503 2.491 2.517 . 0 0 "[ . ]" 1
156 2 4 DT H1' 2 4 DT H3' 4.338 3.738 4.938 3.702 3.690 3.714 0.048 1 0 "[ . ]" 1
157 2 4 DT H1' 2 4 DT H6 4.030 3.430 4.630 3.784 3.778 3.789 . 0 0 "[ . ]" 1
158 2 4 DT H1' 2 5 DA H8 4.300 3.700 4.900 3.693 3.674 3.735 0.026 3 0 "[ . ]" 1
159 2 4 DT H2' 2 4 DT H6 2.257 . 2.857 2.123 2.081 2.158 . 0 0 "[ . ]" 1
160 2 4 DT H2' 2 5 DA H8 3.465 2.865 4.065 4.068 4.032 4.089 0.024 1 0 "[ . ]" 1
161 2 4 DT H2'' 2 5 DA H8 2.948 2.348 3.548 2.435 2.383 2.500 . 0 0 "[ . ]" 1
162 2 4 DT H3' 2 5 DA H8 4.587 3.987 5.187 5.026 4.959 5.135 . 0 0 "[ . ]" 1
163 2 4 DT H6 2 5 DA H8 4.502 3.902 5.102 4.989 4.886 5.092 . 0 0 "[ . ]" 1
164 2 5 DA H1' 2 5 DA H2 4.346 3.746 4.946 4.605 4.576 4.634 . 0 0 "[ . ]" 1
165 2 5 DA H1' 2 5 DA H2' 2.858 2.258 3.458 3.041 3.037 3.048 . 0 0 "[ . ]" 1
166 2 5 DA H1' 2 5 DA H2'' 2.355 . 2.955 2.514 2.503 2.525 . 0 0 "[ . ]" 1
167 2 5 DA H1' 2 5 DA H3' 4.415 3.815 5.015 3.799 3.790 3.811 0.025 3 0 "[ . ]" 1
168 2 5 DA H1' 2 5 DA H4' 3.141 2.541 3.741 3.308 3.247 3.349 . 0 0 "[ . ]" 1
169 2 5 DA H1' 2 5 DA H8 3.829 3.229 4.429 3.900 3.894 3.907 . 0 0 "[ . ]" 1
170 2 5 DA H1' 2 6 DC H1' 3.715 3.115 4.315 4.354 4.338 4.375 0.060 1 0 "[ . ]" 1
171 2 5 DA H1' 2 6 DC H5 4.427 3.827 5.027 4.011 3.973 4.047 . 0 0 "[ . ]" 1
172 2 5 DA H1' 2 6 DC H6 3.356 2.756 3.956 2.718 2.708 2.735 0.048 2 0 "[ . ]" 1
173 2 5 DA H2' 2 5 DA H8 2.374 . 2.974 2.060 2.036 2.084 . 0 0 "[ . ]" 1
174 2 5 DA H2' 2 6 DC H5 3.576 2.976 4.176 3.319 3.275 3.340 . 0 0 "[ . ]" 1
175 2 5 DA H2' 2 6 DC H6 2.993 2.393 3.593 3.603 3.586 3.613 0.020 4 0 "[ . ]" 1
176 2 5 DA H2'' 2 5 DA H8 3.177 2.577 3.777 3.429 3.410 3.441 . 0 0 "[ . ]" 1
177 2 5 DA H2'' 2 6 DC H5 3.401 2.801 4.001 2.774 2.756 2.802 0.045 6 0 "[ . ]" 1
178 2 5 DA H2'' 2 6 DC H6 2.678 2.078 3.278 2.041 2.036 2.045 0.042 6 0 "[ . ]" 1
179 2 5 DA H3' 2 5 DA H8 3.781 3.181 4.381 4.255 4.209 4.310 . 0 0 "[ . ]" 1
180 2 5 DA H3' 2 6 DC H6 3.746 3.146 4.346 4.504 4.494 4.514 0.168 3 0 "[ . ]" 1
181 2 5 DA H8 2 6 DC H5 3.509 2.909 4.109 3.340 3.274 3.422 . 0 0 "[ . ]" 1
182 2 5 DA H8 2 6 DC H6 3.959 3.359 4.559 4.576 4.530 4.604 0.045 2 0 "[ . ]" 1
183 2 6 DC H1' 2 6 DC H3' 3.593 2.993 4.193 3.773 3.745 3.803 . 0 0 "[ . ]" 1
184 2 6 DC H1' 2 6 DC H4' 2.618 2.018 3.218 2.978 2.930 3.011 . 0 0 "[ . ]" 1
185 2 6 DC H1' 2 6 DC H5 4.805 4.205 5.405 5.378 5.373 5.381 . 0 0 "[ . ]" 1
186 2 6 DC H1' 2 6 DC H6 4.236 3.636 4.836 3.613 3.604 3.619 0.032 1 0 "[ . ]" 1
187 2 6 DC H1' 2 7 DA H8 5.175 4.575 5.775 5.075 4.635 5.406 . 0 0 "[ . ]" 1
188 2 6 DC H2' 2 6 DC H6 2.456 . 3.056 2.155 2.125 2.187 . 0 0 "[ . ]" 1
189 2 6 DC H2'' 2 6 DC H3' 2.727 2.127 3.327 2.728 2.710 2.748 . 0 0 "[ . ]" 1
190 2 6 DC H2'' 2 6 DC H6 2.908 2.308 3.508 3.565 3.529 3.589 0.081 4 0 "[ . ]" 1
191 2 6 DC H2'' 2 7 DA H8 3.477 2.877 4.077 3.105 2.942 3.474 . 0 0 "[ . ]" 1
192 2 6 DC H3' 2 6 DC H4' 2.181 . 2.781 2.800 2.796 2.805 0.024 5 0 "[ . ]" 1
193 2 6 DC H3' 2 6 DC H6 4.031 3.431 4.631 4.175 4.116 4.250 . 0 0 "[ . ]" 1
194 2 6 DC H3' 2 7 DA H8 4.428 3.828 5.028 4.002 3.828 4.412 . 0 0 "[ . ]" 1
195 2 6 DC H4' 2 6 DC H6 3.790 3.190 4.390 4.359 4.345 4.377 . 0 0 "[ . ]" 1
196 2 6 DC H6 2 7 DA H8 6.000 5.000 7.000 6.025 4.980 6.881 0.020 4 0 "[ . ]" 1
197 2 7 DA H1' 2 7 DA H2' 2.630 2.030 3.230 3.048 3.038 3.055 . 0 0 "[ . ]" 1
198 2 7 DA H1' 2 7 DA H8 3.793 3.193 4.393 3.724 3.632 3.835 . 0 0 "[ . ]" 1
199 2 7 DA H1' 2 9 DA H8 5.082 4.482 5.682 5.020 4.807 5.317 . 0 0 "[ . ]" 1
200 2 7 DA H2 2 9 DA H1' 4.965 4.365 5.565 5.300 4.649 5.623 0.058 3 0 "[ . ]" 1
201 2 7 DA H2 2 9 DA H2 4.684 4.084 5.284 4.723 4.072 5.323 0.039 1 0 "[ . ]" 1
202 2 7 DA H2'' 2 7 DA H8 2.862 2.262 3.462 3.011 2.780 3.261 . 0 0 "[ . ]" 1
203 2 7 DA H3' 2 7 DA H8 4.284 3.684 4.884 4.442 4.379 4.574 . 0 0 "[ . ]" 1
204 2 7 DA H4' 2 7 DA H8 4.535 3.935 5.135 5.095 4.993 5.162 0.027 2 0 "[ . ]" 1
205 2 8 3DR H2' 2 9 DA H8 4.717 4.117 5.317 4.886 4.604 5.268 . 0 0 "[ . ]" 1
206 2 8 3DR H2'' 2 9 DA H8 4.128 3.528 4.728 4.633 4.515 4.724 . 0 0 "[ . ]" 1
207 2 8 3DR H3' 2 9 DA H8 3.184 2.584 3.784 2.678 2.509 3.070 0.075 5 0 "[ . ]" 1
208 2 9 DA H1' 2 9 DA H2 4.456 3.856 5.056 4.612 4.554 4.663 . 0 0 "[ . ]" 1
209 2 9 DA H1' 2 9 DA H2' 3.208 2.608 3.808 3.033 3.019 3.043 . 0 0 "[ . ]" 1
210 2 9 DA H1' 2 9 DA H2'' 2.412 . 3.012 2.454 2.425 2.475 . 0 0 "[ . ]" 1
211 2 9 DA H1' 2 9 DA H3' 4.085 3.485 4.685 3.868 3.826 3.900 . 0 0 "[ . ]" 1
212 2 9 DA H1' 2 9 DA H4' 3.478 2.878 4.078 3.471 3.443 3.491 . 0 0 "[ . ]" 1
213 2 9 DA H1' 2 9 DA H8 3.726 3.126 4.326 3.849 3.813 3.902 . 0 0 "[ . ]" 1
214 2 9 DA H1' 2 10 DT H3' 4.752 4.152 5.352 5.360 5.343 5.385 0.033 3 0 "[ . ]" 1
215 2 9 DA H1' 2 10 DT H6 3.313 2.713 3.913 3.659 3.502 3.880 . 0 0 "[ . ]" 1
216 2 9 DA H2 2 10 DT H1' 3.828 3.228 4.428 3.731 3.555 4.006 . 0 0 "[ . ]" 1
217 2 9 DA H2' 2 9 DA H4' 3.827 3.227 4.427 3.641 3.612 3.658 . 0 0 "[ . ]" 1
218 2 9 DA H2' 2 9 DA H8 2.377 . 2.977 2.188 2.142 2.269 . 0 0 "[ . ]" 1
219 2 9 DA H2'' 2 9 DA H3' 2.948 2.348 3.548 2.622 2.599 2.658 . 0 0 "[ . ]" 1
220 2 9 DA H2'' 2 9 DA H4' 3.921 3.321 4.521 4.087 4.064 4.119 . 0 0 "[ . ]" 1
221 2 9 DA H2'' 2 9 DA H8 3.198 2.598 3.798 3.742 3.713 3.788 . 0 0 "[ . ]" 1
222 2 9 DA H2'' 2 10 DT H2' 4.752 4.152 5.352 4.053 4.036 4.081 0.116 1 0 "[ . ]" 1
223 2 9 DA H2'' 2 10 DT H6 2.725 2.125 3.325 2.222 2.156 2.293 . 0 0 "[ . ]" 1
224 2 9 DA H3' 2 9 DA H4' 2.832 2.232 3.432 2.741 2.718 2.757 . 0 0 "[ . ]" 1
225 2 9 DA H3' 2 9 DA H8 3.827 3.227 4.427 4.055 3.963 4.188 . 0 0 "[ . ]" 1
226 2 9 DA H8 2 10 DT H6 4.174 3.574 4.774 4.791 4.777 4.820 0.046 6 0 "[ . ]" 1
227 2 10 DT H1' 2 10 DT H2' 2.874 2.274 3.474 3.027 3.023 3.031 . 0 0 "[ . ]" 1
228 2 10 DT H1' 2 10 DT H6 3.696 3.096 4.296 3.724 3.719 3.742 . 0 0 "[ . ]" 1
229 2 10 DT H1' 2 11 DG H8 3.990 3.390 4.590 3.852 3.669 3.960 . 0 0 "[ . ]" 1
230 2 10 DT H2' 2 10 DT H6 2.186 . 2.786 2.418 2.333 2.490 . 0 0 "[ . ]" 1
231 2 10 DT H2'' 2 10 DT H6 3.909 3.309 4.509 3.897 3.815 3.954 . 0 0 "[ . ]" 1
232 2 10 DT H6 2 11 DG H8 4.117 3.517 4.717 4.316 4.112 4.576 . 0 0 "[ . ]" 1
233 2 11 DG H1' 2 11 DG H2' 3.055 2.455 3.655 3.015 3.008 3.023 . 0 0 "[ . ]" 1
234 2 11 DG H1' 2 11 DG H2'' 2.333 . 2.933 2.528 2.513 2.553 . 0 0 "[ . ]" 1
235 2 11 DG H1' 2 11 DG H3' 4.196 3.596 4.796 3.764 3.749 3.772 . 0 0 "[ . ]" 1
236 2 11 DG H1' 2 11 DG H4' 3.241 2.641 3.841 2.757 2.686 2.821 . 0 0 "[ . ]" 1
237 2 11 DG H1' 2 11 DG H8 3.989 3.389 4.589 3.920 3.918 3.922 . 0 0 "[ . ]" 1
238 2 11 DG H1' 2 12 DC H6 3.228 2.628 3.828 2.594 2.571 2.604 0.057 2 0 "[ . ]" 1
239 2 11 DG H2' 2 12 DC H6 3.060 2.460 3.660 3.733 3.723 3.741 0.081 1 0 "[ . ]" 1
240 2 11 DG H3' 2 12 DC H6 4.252 3.652 4.852 4.603 4.541 4.671 . 0 0 "[ . ]" 1
241 2 12 DC H1' 2 12 DC H2'' 2.331 . 2.931 2.173 2.166 2.182 . 0 0 "[ . ]" 1
242 2 12 DC H1' 2 12 DC H6 3.554 2.954 4.154 3.384 3.371 3.393 . 0 0 "[ . ]" 1
243 2 12 DC H1' 2 13 DG H8 4.367 3.767 4.967 4.595 4.538 4.649 . 0 0 "[ . ]" 1
244 2 12 DC H2'' 2 12 DC H6 3.193 3.093 4.293 4.292 4.286 4.300 0.007 5 0 "[ . ]" 1
245 2 12 DC H3' 2 12 DC H5 4.054 3.454 4.654 4.748 4.743 4.752 0.098 1 0 "[ . ]" 1
246 2 12 DC H3' 2 12 DC H6 4.165 3.565 4.765 3.195 3.183 3.208 0.382 6 0 "[ . ]" 1
247 2 13 DG H1' 2 13 DG H2' 3.034 2.434 3.634 3.040 3.038 3.043 . 0 0 "[ . ]" 1
248 2 13 DG H1' 2 13 DG H2'' 2.264 . 2.864 2.423 2.413 2.429 . 0 0 "[ . ]" 1
249 2 13 DG H1' 2 13 DG H3' 3.991 3.391 4.591 3.761 3.743 3.778 . 0 0 "[ . ]" 1
250 2 13 DG H1' 2 13 DG H4' 2.828 2.228 3.428 3.447 3.440 3.458 0.030 3 0 "[ . ]" 1
251 2 13 DG H1' 2 13 DG H8 3.824 3.224 4.424 3.852 3.841 3.859 . 0 0 "[ . ]" 1
252 2 13 DG H2' 2 13 DG H3' 2.485 . 3.085 2.497 2.489 2.505 . 0 0 "[ . ]" 1
253 2 13 DG H2' 2 13 DG H8 2.369 . 2.969 2.406 2.349 2.448 . 0 0 "[ . ]" 1
254 2 13 DG H2'' 2 13 DG H3' 3.447 2.847 4.047 2.780 2.777 2.783 0.070 6 0 "[ . ]" 1
255 2 13 DG H3' 2 13 DG H4' 2.451 . 3.051 2.667 2.660 2.675 . 0 0 "[ . ]" 1
256 2 13 DG H3' 2 13 DG H8 4.313 3.713 4.913 4.569 4.512 4.617 . 0 0 "[ . ]" 1
257 2 13 DG H4' 2 13 DG H8 3.808 3.208 4.408 4.502 4.485 4.517 0.109 4 0 "[ . ]" 1
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