NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379203 |
1ht7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ht7
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 207
_Distance_constraint_stats_list.Viol_count 314
_Distance_constraint_stats_list.Viol_total 188.830
_Distance_constraint_stats_list.Viol_max 1.100
_Distance_constraint_stats_list.Viol_rms 0.1004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.1002
_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 0.551 0.098 4 0 "[ . ]"
1 2 DG 1.511 0.151 4 0 "[ . ]"
1 3 DC 2.542 0.151 4 0 "[ . ]"
1 4 DA 0.432 0.064 4 0 "[ . ]"
1 5 DT 0.616 0.078 3 0 "[ . ]"
1 6 DG 0.815 0.124 3 0 "[ . ]"
1 8 DG 3.324 0.562 4 6 [**-+**]
1 9 DT 3.983 0.562 4 6 [**-+**]
1 10 DA 3.993 0.264 6 0 "[ . ]"
1 11 DC 3.500 0.264 6 0 "[ . ]"
1 12 DG 1.984 0.151 1 0 "[ . ]"
1 13 DC 2.206 0.190 4 0 "[ . ]"
2 1 DG 0.106 0.032 4 0 "[ . ]"
2 2 DC 2.307 0.225 3 0 "[ . ]"
2 3 DG 11.733 1.100 6 6 [**-**+]
2 4 DT 11.744 1.100 6 6 [**-**+]
2 5 DA 0.800 0.073 3 0 "[ . ]"
2 7 DA 1.239 0.162 4 0 "[ . ]"
2 8 DC 0.039 0.018 6 0 "[ . ]"
2 9 DA 0.344 0.060 5 0 "[ . ]"
2 10 DT 0.415 0.060 5 0 "[ . ]"
2 11 DG 0.893 0.101 1 0 "[ . ]"
2 12 DC 1.211 0.101 1 0 "[ . ]"
2 13 DG 0.105 0.023 6 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 H2' 3.507 2.907 4.107 3.031 3.027 3.035 . 0 0 "[ . ]" 1
2 1 1 DC H1' 1 1 DC H6 2.979 2.379 3.579 3.671 3.665 3.677 0.098 4 0 "[ . ]" 1
3 1 1 DC H1' 1 2 DG H8 4.347 3.747 4.947 4.033 3.926 4.174 . 0 0 "[ . ]" 1
4 1 1 DC H2' 1 1 DC H3' 2.438 . 3.038 2.431 2.420 2.440 . 0 0 "[ . ]" 1
5 1 1 DC H2' 1 1 DC H6 2.310 . 2.910 2.271 2.175 2.409 . 0 0 "[ . ]" 1
6 1 1 DC H2' 1 2 DG H8 3.580 2.980 4.180 3.652 3.460 3.758 . 0 0 "[ . ]" 1
7 1 1 DC H2'' 1 2 DG H8 3.000 2.400 3.600 2.722 2.568 2.850 . 0 0 "[ . ]" 1
8 1 2 DG H1' 1 2 DG H2'' 2.022 . 2.622 2.526 2.515 2.535 . 0 0 "[ . ]" 1
9 1 2 DG H1' 1 2 DG H8 4.254 3.654 4.854 3.918 3.914 3.921 . 0 0 "[ . ]" 1
10 1 2 DG H1' 1 3 DC H5 3.310 2.710 3.910 3.712 3.684 3.726 . 0 0 "[ . ]" 1
11 1 2 DG H1' 1 3 DC H6 3.305 2.705 3.905 2.695 2.683 2.711 0.022 5 0 "[ . ]" 1
12 1 2 DG H2' 1 3 DC H5 3.357 2.757 3.957 3.168 3.141 3.188 . 0 0 "[ . ]" 1
13 1 2 DG H2' 1 3 DC H6 3.031 2.431 3.631 3.686 3.682 3.691 0.060 1 0 "[ . ]" 1
14 1 2 DG H2'' 1 3 DC H5 3.167 2.567 3.767 2.519 2.510 2.535 0.057 4 0 "[ . ]" 1
15 1 2 DG H3' 1 2 DG H8 3.998 3.398 4.598 4.397 4.363 4.422 . 0 0 "[ . ]" 1
16 1 2 DG H4' 1 3 DC H6 3.877 3.277 4.477 4.614 4.599 4.628 0.151 4 0 "[ . ]" 1
17 1 2 DG H8 1 3 DC H5 3.592 2.992 4.192 3.585 3.507 3.667 . 0 0 "[ . ]" 1
18 1 3 DC H1' 1 3 DC H2'' 2.181 . 2.781 2.464 2.457 2.480 . 0 0 "[ . ]" 1
19 1 3 DC H1' 1 3 DC H4' 2.726 2.126 3.326 3.257 3.240 3.272 . 0 0 "[ . ]" 1
20 1 3 DC H1' 1 3 DC H6 3.204 2.604 3.804 3.765 3.758 3.768 . 0 0 "[ . ]" 1
21 1 3 DC H1' 1 4 DA H8 3.614 3.014 4.214 3.527 3.336 3.583 . 0 0 "[ . ]" 1
22 1 3 DC H2' 1 3 DC H5 3.403 2.803 4.003 4.137 4.132 4.144 0.141 6 0 "[ . ]" 1
23 1 3 DC H2' 1 4 DA H8 3.212 2.612 3.812 3.805 3.769 3.854 0.042 4 0 "[ . ]" 1
24 1 3 DC H2'' 1 4 DA H8 2.950 2.350 3.550 2.321 2.286 2.333 0.064 4 0 "[ . ]" 1
25 1 4 DA H1' 1 4 DA H2 4.302 3.702 4.902 4.564 4.552 4.582 . 0 0 "[ . ]" 1
26 1 4 DA H1' 1 5 DT H6 3.309 2.709 3.909 3.476 3.359 3.571 . 0 0 "[ . ]" 1
27 1 4 DA H2' 1 5 DT H6 3.237 2.637 3.837 3.871 3.865 3.883 0.046 2 0 "[ . ]" 1
28 1 4 DA H2'' 1 5 DT H6 2.505 . 3.105 2.420 2.333 2.483 . 0 0 "[ . ]" 1
29 1 4 DA H3' 1 5 DT H6 4.799 4.199 5.399 5.108 4.988 5.186 . 0 0 "[ . ]" 1
30 1 5 DT H1' 1 5 DT H2' 3.551 2.951 4.151 3.034 3.030 3.041 . 0 0 "[ . ]" 1
31 1 5 DT H1' 1 5 DT H2'' 2.371 . 2.971 2.475 2.470 2.485 . 0 0 "[ . ]" 1
32 1 5 DT H1' 1 5 DT H4' 2.589 . 3.189 3.071 3.039 3.120 . 0 0 "[ . ]" 1
33 1 5 DT H1' 1 5 DT H6 3.668 3.068 4.268 3.728 3.717 3.742 . 0 0 "[ . ]" 1
34 1 5 DT H2' 1 5 DT H3' 2.464 . 3.064 2.413 2.406 2.419 . 0 0 "[ . ]" 1
35 1 5 DT H2' 1 5 DT H6 2.308 . 2.908 2.016 1.994 2.062 . 0 0 "[ . ]" 1
36 1 5 DT H2' 1 6 DG H8 3.566 2.966 4.166 4.110 4.035 4.180 0.014 5 0 "[ . ]" 1
37 1 5 DT H2'' 1 5 DT H3' 2.621 2.021 3.221 2.696 2.678 2.709 . 0 0 "[ . ]" 1
38 1 5 DT H2'' 1 5 DT H6 3.720 3.120 4.320 3.164 3.112 3.282 0.008 6 0 "[ . ]" 1
39 1 5 DT H2'' 1 6 DG H8 3.144 2.544 3.744 2.572 2.520 2.663 0.024 4 0 "[ . ]" 1
40 1 5 DT H3' 1 6 DG H8 5.400 4.800 6.200 5.098 5.016 5.192 . 0 0 "[ . ]" 1
41 1 5 DT H6 1 6 DG H8 3.876 3.276 4.476 4.533 4.510 4.554 0.078 3 0 "[ . ]" 1
42 1 6 DG H1 2 7 DA H2 4.800 4.200 5.800 4.469 4.445 4.491 . 0 0 "[ . ]" 1
43 1 6 DG H1 2 9 DA H2 4.800 4.200 5.800 4.486 4.465 4.535 . 0 0 "[ . ]" 1
44 1 6 DG H1' 1 6 DG H2'' 2.185 . 2.785 2.471 2.451 2.504 . 0 0 "[ . ]" 1
45 1 6 DG H1' 1 8 DG H8 3.985 3.385 4.585 3.460 3.411 3.489 . 0 0 "[ . ]" 1
46 1 6 DG H2' 1 8 DG H8 3.895 3.295 4.495 4.487 4.467 4.505 0.010 5 0 "[ . ]" 1
47 1 6 DG H2'' 1 6 DG H3' 2.266 . 2.866 2.523 2.503 2.548 . 0 0 "[ . ]" 1
48 1 6 DG H2'' 1 6 DG H8 2.749 2.149 3.349 3.415 3.389 3.473 0.124 3 0 "[ . ]" 1
49 1 6 DG H2'' 1 8 DG H8 3.286 2.686 3.886 2.734 2.714 2.749 . 0 0 "[ . ]" 1
50 1 6 DG H3' 1 6 DG H8 5.200 4.600 6.000 4.918 4.886 4.957 . 0 0 "[ . ]" 1
51 1 8 DG H1' 1 8 DG H8 3.343 2.743 3.943 3.813 3.756 3.859 . 0 0 "[ . ]" 1
52 1 8 DG H1' 1 9 DT H6 4.342 3.742 4.942 4.744 4.462 4.892 . 0 0 "[ . ]" 1
53 1 8 DG H1' 1 9 DT M7 5.279 4.679 5.879 4.139 4.117 4.154 0.562 4 6 [**-+**] 1
54 1 8 DG H1' 2 7 DA H2 4.752 4.152 5.352 5.297 5.260 5.369 0.017 5 0 "[ . ]" 1
55 1 8 DG H3' 1 9 DT M7 4.472 3.872 5.072 4.044 3.941 4.186 . 0 0 "[ . ]" 1
56 1 8 DG H8 1 9 DT M7 4.227 3.627 4.827 3.759 3.603 3.916 0.024 4 0 "[ . ]" 1
57 1 9 DT H1' 1 9 DT H2'' 2.322 . 2.922 2.514 2.496 2.530 . 0 0 "[ . ]" 1
58 1 9 DT H1' 1 10 DA H8 4.414 3.814 5.014 3.915 3.799 4.062 0.015 2 0 "[ . ]" 1
59 1 9 DT H1' 2 5 DA H2 4.258 3.658 4.858 4.728 4.515 4.821 . 0 0 "[ . ]" 1
60 1 9 DT H1' 2 7 DA H2 4.185 3.585 4.785 4.148 3.565 4.774 0.020 1 0 "[ . ]" 1
61 1 9 DT H2'' 1 9 DT H3' 3.145 2.545 3.745 2.687 2.671 2.705 . 0 0 "[ . ]" 1
62 1 9 DT H2'' 1 10 DA H8 3.511 2.911 4.111 3.430 3.271 3.588 . 0 0 "[ . ]" 1
63 1 9 DT H3 2 7 DA H2 4.800 4.200 5.800 4.637 4.038 5.425 0.162 4 0 "[ . ]" 1
64 1 9 DT H3' 1 10 DA H8 5.220 4.620 5.820 5.890 5.857 5.921 0.101 2 0 "[ . ]" 1
65 1 10 DA H1' 1 10 DA H2 4.138 3.538 4.738 4.792 4.787 4.798 0.060 2 0 "[ . ]" 1
66 1 10 DA H1' 1 10 DA H2' 2.368 . 2.968 3.026 3.024 3.028 0.060 1 0 "[ . ]" 1
67 1 10 DA H1' 1 10 DA H8 3.569 2.969 4.169 3.784 3.775 3.795 . 0 0 "[ . ]" 1
68 1 10 DA H1' 1 11 DC H6 3.291 2.691 3.891 3.413 3.345 3.493 . 0 0 "[ . ]" 1
69 1 10 DA H2 1 11 DC H1' 4.505 3.905 5.105 3.798 3.767 3.819 0.138 2 0 "[ . ]" 1
70 1 10 DA H2' 1 10 DA H8 2.125 . 2.725 1.878 1.858 1.898 . 0 0 "[ . ]" 1
71 1 10 DA H2' 1 11 DC H5 3.295 2.695 3.895 3.941 3.937 3.948 0.053 2 0 "[ . ]" 1
72 1 10 DA H2' 1 11 DC H6 3.089 2.489 3.689 3.349 3.325 3.368 . 0 0 "[ . ]" 1
73 1 10 DA H2'' 1 10 DA H8 2.860 2.260 3.460 3.067 3.014 3.114 . 0 0 "[ . ]" 1
74 1 10 DA H2'' 1 11 DC H5 2.947 2.347 3.547 3.622 3.617 3.629 0.082 2 0 "[ . ]" 1
75 1 10 DA H2'' 1 11 DC H6 2.633 2.033 3.233 2.021 2.005 2.040 0.028 2 0 "[ . ]" 1
76 1 10 DA H3' 1 11 DC H6 4.577 3.977 5.177 4.715 4.690 4.749 . 0 0 "[ . ]" 1
77 1 10 DA H4' 1 10 DA H8 4.615 4.015 5.215 5.055 5.025 5.112 . 0 0 "[ . ]" 1
78 1 10 DA H8 1 11 DC H1' 4.604 4.004 5.204 5.444 5.425 5.468 0.264 6 0 "[ . ]" 1
79 1 10 DA H8 1 11 DC H5 3.635 3.035 4.235 3.210 3.073 3.329 . 0 0 "[ . ]" 1
80 1 11 DC H1' 1 11 DC H2'' 2.337 . 2.937 2.275 2.259 2.293 . 0 0 "[ . ]" 1
81 1 11 DC H1' 1 12 DG H8 3.964 3.364 4.564 4.607 4.581 4.648 0.084 6 0 "[ . ]" 1
82 1 11 DC H2' 1 12 DG H8 3.126 2.226 3.426 2.167 2.152 2.193 0.074 2 0 "[ . ]" 1
83 1 11 DC H2'' 1 12 DG H8 3.041 2.741 3.941 3.902 3.879 3.936 . 0 0 "[ . ]" 1
84 1 12 DG H1' 1 12 DG H8 3.555 2.955 4.155 3.928 3.925 3.936 . 0 0 "[ . ]" 1
85 1 12 DG H2' 1 13 DC H5 4.662 4.062 5.262 3.950 3.911 3.979 0.151 1 0 "[ . ]" 1
86 1 12 DG H2' 1 13 DC H6 2.854 2.254 3.454 3.530 3.507 3.550 0.096 4 0 "[ . ]" 1
87 1 12 DG H2'' 1 13 DC H5 3.099 2.499 3.699 3.739 3.705 3.754 0.055 4 0 "[ . ]" 1
88 1 12 DG H2'' 1 13 DC H6 2.617 2.017 3.217 2.240 2.204 2.252 . 0 0 "[ . ]" 1
89 1 12 DG H3' 1 13 DC H6 4.841 4.241 5.441 4.925 4.886 4.956 . 0 0 "[ . ]" 1
90 1 12 DG H8 1 13 DC H5 3.255 2.655 3.855 3.712 3.641 3.781 . 0 0 "[ . ]" 1
91 1 13 DC H1' 1 13 DC H4' 2.675 2.075 3.275 2.899 2.858 2.949 . 0 0 "[ . ]" 1
92 1 13 DC H1' 1 13 DC H6 3.503 2.903 4.103 3.724 3.705 3.750 . 0 0 "[ . ]" 1
93 1 13 DC H3' 1 13 DC H4' 2.293 . 2.893 2.959 2.875 3.001 0.108 2 0 "[ . ]" 1
94 1 13 DC H3' 1 13 DC H6 3.196 2.596 3.796 3.052 2.580 3.986 0.190 4 0 "[ . ]" 1
95 2 1 DG H1' 2 1 DG H2' 2.492 . 3.092 3.028 3.025 3.030 . 0 0 "[ . ]" 1
96 2 1 DG H1' 2 1 DG H2'' 2.215 . 2.815 2.437 2.430 2.440 . 0 0 "[ . ]" 1
97 2 1 DG H1' 2 1 DG H4' 3.079 2.479 3.679 3.371 3.352 3.387 . 0 0 "[ . ]" 1
98 2 1 DG H1' 2 1 DG H8 3.330 2.730 3.930 3.910 3.896 3.928 . 0 0 "[ . ]" 1
99 2 1 DG H1' 2 2 DC H5 4.295 3.695 4.895 4.454 4.340 4.557 . 0 0 "[ . ]" 1
100 2 1 DG H2' 2 1 DG H3' 2.226 . 2.826 2.457 2.452 2.465 . 0 0 "[ . ]" 1
101 2 1 DG H2' 2 2 DC H5 2.819 2.219 3.419 3.437 3.429 3.451 0.032 4 0 "[ . ]" 1
102 2 1 DG H2' 2 2 DC H6 4.039 3.439 4.639 3.753 3.691 3.799 . 0 0 "[ . ]" 1
103 2 1 DG H2'' 2 1 DG H3' 2.703 2.103 3.303 2.705 2.703 2.709 . 0 0 "[ . ]" 1
104 2 1 DG H2'' 2 2 DC H5 3.365 2.765 3.965 2.951 2.882 3.005 . 0 0 "[ . ]" 1
105 2 1 DG H3' 2 1 DG H4' 2.407 . 3.007 2.689 2.684 2.693 . 0 0 "[ . ]" 1
106 2 1 DG H8 2 2 DC H5 4.049 3.449 4.649 4.432 4.083 4.647 . 0 0 "[ . ]" 1
107 2 2 DC H1' 2 2 DC H2' 2.884 2.284 3.484 3.037 3.035 3.039 . 0 0 "[ . ]" 1
108 2 2 DC H1' 2 2 DC H4' 2.748 2.148 3.348 3.156 3.111 3.197 . 0 0 "[ . ]" 1
109 2 2 DC H1' 2 2 DC H6 3.976 3.376 4.576 3.742 3.736 3.754 . 0 0 "[ . ]" 1
110 2 2 DC H1' 2 3 DG H8 3.601 3.001 4.201 3.063 2.985 3.143 0.016 1 0 "[ . ]" 1
111 2 2 DC H2' 2 2 DC H5 3.320 2.720 3.920 4.000 3.996 4.008 0.088 1 0 "[ . ]" 1
112 2 2 DC H2' 2 3 DG H8 3.271 2.671 3.871 3.917 3.907 3.931 0.060 1 0 "[ . ]" 1
113 2 2 DC H2'' 2 2 DC H5 3.945 3.345 4.545 4.762 4.746 4.770 0.225 3 0 "[ . ]" 1
114 2 2 DC H2'' 2 3 DG H8 2.836 2.236 3.436 2.454 2.432 2.466 . 0 0 "[ . ]" 1
115 2 2 DC H3' 2 3 DG H8 4.521 3.921 5.121 5.136 5.120 5.160 0.039 2 0 "[ . ]" 1
116 2 2 DC H6 2 3 DG H8 3.767 3.167 4.367 4.345 4.311 4.385 0.018 4 0 "[ . ]" 1
117 2 3 DG H1' 2 3 DG H8 3.609 3.009 4.209 3.946 3.933 3.959 . 0 0 "[ . ]" 1
118 2 3 DG H1' 2 4 DT H6 3.340 2.740 3.940 3.889 3.805 3.963 0.023 6 0 "[ . ]" 1
119 2 3 DG Q2' 2 4 DT H6 . 2.659 3.165 2.518 2.481 2.588 0.178 5 0 "[ . ]" 1
120 2 3 DG Q2' 2 4 DT M7 4.281 3.834 4.881 2.741 2.734 2.749 1.100 6 6 [-****+] 1
121 2 3 DG H3' 2 4 DT H6 4.860 4.260 5.460 5.183 5.139 5.251 . 0 0 "[ . ]" 1
122 2 3 DG H3' 2 4 DT M7 5.287 4.687 5.887 4.915 4.873 4.929 . 0 0 "[ . ]" 1
123 2 3 DG H8 2 4 DT M7 4.319 3.719 4.919 3.073 3.055 3.094 0.664 1 6 [+*-***] 1
124 2 4 DT H1' 2 4 DT H2' 3.458 2.858 4.058 3.023 3.018 3.029 . 0 0 "[ . ]" 1
125 2 4 DT H1' 2 4 DT H2'' 2.426 . 3.026 2.489 2.463 2.500 . 0 0 "[ . ]" 1
126 2 4 DT H1' 2 4 DT H4' 2.646 2.046 3.246 2.828 2.780 2.895 . 0 0 "[ . ]" 1
127 2 4 DT H1' 2 4 DT H6 4.170 3.570 4.770 3.799 3.790 3.806 . 0 0 "[ . ]" 1
128 2 4 DT H1' 2 5 DA H8 4.627 4.027 5.227 3.993 3.978 4.015 0.049 3 0 "[ . ]" 1
129 2 4 DT H2' 2 4 DT H3' 2.346 . 2.946 2.349 2.316 2.387 . 0 0 "[ . ]" 1
130 2 4 DT H2' 2 4 DT H6 2.235 . 2.835 2.059 2.013 2.102 . 0 0 "[ . ]" 1
131 2 4 DT H2' 2 5 DA H8 3.511 2.911 4.111 4.147 4.138 4.156 0.045 3 0 "[ . ]" 1
132 2 4 DT H2'' 2 4 DT H3' 2.964 2.364 3.564 2.732 2.726 2.737 . 0 0 "[ . ]" 1
133 2 4 DT H2'' 2 4 DT H6 3.491 2.891 4.091 3.331 3.236 3.394 . 0 0 "[ . ]" 1
134 2 4 DT H2'' 2 5 DA H8 3.156 2.556 3.756 2.666 2.545 2.818 0.011 4 0 "[ . ]" 1
135 2 4 DT H6 2 5 DA H8 4.614 4.014 5.214 4.789 4.371 4.998 . 0 0 "[ . ]" 1
136 2 5 DA H1' 2 5 DA H2 4.001 3.401 4.601 4.605 4.581 4.629 0.028 6 0 "[ . ]" 1
137 2 5 DA H1' 2 5 DA H8 3.497 2.897 4.097 3.865 3.848 3.882 . 0 0 "[ . ]" 1
138 2 5 DA H1' 2 7 DA H1' 3.586 2.986 4.186 3.888 3.726 4.020 . 0 0 "[ . ]" 1
139 2 5 DA H1' 2 7 DA H8 3.881 3.281 4.481 3.339 3.309 3.365 . 0 0 "[ . ]" 1
140 2 5 DA H2' 2 5 DA H8 2.168 . 2.768 2.049 1.991 2.115 . 0 0 "[ . ]" 1
141 2 5 DA H2' 2 7 DA H8 3.751 3.151 4.351 4.187 4.162 4.202 . 0 0 "[ . ]" 1
142 2 5 DA H2'' 2 5 DA H8 3.912 3.312 4.512 3.338 3.304 3.369 0.008 3 0 "[ . ]" 1
143 2 5 DA H2'' 2 7 DA H8 3.054 2.454 3.654 2.579 2.563 2.593 . 0 0 "[ . ]" 1
144 2 5 DA H3' 2 5 DA H8 3.770 3.470 4.670 4.252 4.035 4.389 . 0 0 "[ . ]" 1
145 2 5 DA H3' 2 7 DA H8 4.485 3.885 5.085 5.036 5.005 5.057 . 0 0 "[ . ]" 1
146 2 5 DA H4' 2 5 DA H8 4.308 3.708 4.908 4.951 4.929 4.981 0.073 3 0 "[ . ]" 1
147 2 5 DA H8 2 7 DA H8 4.385 3.785 4.985 4.969 4.931 5.018 0.033 6 0 "[ . ]" 1
148 2 7 DA H1' 2 7 DA H2' 2.709 2.109 3.309 2.973 2.957 2.985 . 0 0 "[ . ]" 1
149 2 7 DA H1' 2 7 DA H8 3.661 3.061 4.261 3.817 3.793 3.835 . 0 0 "[ . ]" 1
150 2 7 DA H1' 2 8 DC H6 3.915 3.315 4.515 4.243 4.234 4.267 . 0 0 "[ . ]" 1
151 2 7 DA H2 2 8 DC H1' 3.352 2.752 3.952 3.363 3.238 3.502 . 0 0 "[ . ]" 1
152 2 7 DA H2' 2 7 DA H3' 2.789 2.189 3.389 2.276 2.246 2.301 . 0 0 "[ . ]" 1
153 2 7 DA H2' 2 7 DA H8 3.025 2.625 3.825 2.708 2.663 2.773 . 0 0 "[ . ]" 1
154 2 7 DA H2' 2 8 DC H5 3.673 3.073 4.273 3.092 3.063 3.130 0.010 6 0 "[ . ]" 1
155 2 7 DA H2' 2 8 DC H6 3.021 2.421 3.621 2.669 2.403 2.898 0.018 6 0 "[ . ]" 1
156 2 7 DA H2'' 2 7 DA H8 3.261 2.861 4.061 4.140 4.112 4.178 0.117 6 0 "[ . ]" 1
157 2 7 DA H2'' 2 8 DC H5 3.515 2.915 4.115 3.916 3.761 4.101 . 0 0 "[ . ]" 1
158 2 7 DA H2'' 2 8 DC H6 2.706 2.106 3.306 2.195 2.168 2.226 . 0 0 "[ . ]" 1
159 2 7 DA H3' 2 7 DA H4' 2.877 2.277 3.477 2.692 2.663 2.706 . 0 0 "[ . ]" 1
160 2 7 DA H3' 2 7 DA H8 3.756 3.156 4.356 4.425 4.401 4.444 0.088 6 0 "[ . ]" 1
161 2 7 DA H3' 2 8 DC H5 4.269 3.669 4.869 4.824 4.797 4.837 . 0 0 "[ . ]" 1
162 2 7 DA H3' 2 8 DC H6 3.623 3.023 4.223 3.894 3.718 4.029 . 0 0 "[ . ]" 1
163 2 7 DA H4' 2 7 DA H8 4.355 3.755 4.955 4.186 4.077 4.249 . 0 0 "[ . ]" 1
164 2 7 DA H8 2 8 DC H5 4.381 3.781 4.981 4.203 4.070 4.457 . 0 0 "[ . ]" 1
165 2 7 DA H8 2 8 DC H6 4.603 4.003 5.203 4.896 4.713 5.125 . 0 0 "[ . ]" 1
166 2 8 DC H1' 2 8 DC H2'' 2.492 . 3.092 2.487 2.477 2.501 . 0 0 "[ . ]" 1
167 2 8 DC H1' 2 8 DC H6 3.414 2.814 4.014 3.757 3.752 3.762 . 0 0 "[ . ]" 1
168 2 8 DC H1' 2 9 DA H8 3.743 3.143 4.343 3.368 3.243 3.487 . 0 0 "[ . ]" 1
169 2 8 DC H2'' 2 8 DC H6 3.135 2.535 3.735 3.371 3.334 3.432 . 0 0 "[ . ]" 1
170 2 8 DC H2'' 2 9 DA H8 3.408 2.808 4.008 2.837 2.800 2.972 0.008 6 0 "[ . ]" 1
171 2 9 DA H1' 2 9 DA H2 4.505 3.905 5.105 4.628 4.620 4.639 . 0 0 "[ . ]" 1
172 2 9 DA H1' 2 10 DT H6 3.244 2.644 3.844 3.032 2.959 3.128 . 0 0 "[ . ]" 1
173 2 9 DA H2' 2 10 DT H6 3.215 2.615 3.815 3.692 3.647 3.770 . 0 0 "[ . ]" 1
174 2 9 DA H2'' 2 10 DT H6 2.493 . 3.093 2.213 2.189 2.252 . 0 0 "[ . ]" 1
175 2 9 DA H3' 2 10 DT H6 4.286 3.686 4.886 4.886 4.873 4.900 0.014 3 0 "[ . ]" 1
176 2 9 DA H8 2 10 DT H6 3.963 3.363 4.563 4.614 4.595 4.623 0.060 5 0 "[ . ]" 1
177 2 10 DT H1' 2 10 DT H2' 2.800 2.200 3.400 3.022 3.021 3.024 . 0 0 "[ . ]" 1
178 2 10 DT H1' 2 10 DT H2'' 2.317 . 2.917 2.470 2.466 2.474 . 0 0 "[ . ]" 1
179 2 10 DT H1' 2 10 DT H4' 2.700 2.100 3.300 3.028 3.014 3.051 . 0 0 "[ . ]" 1
180 2 10 DT H1' 2 10 DT H6 3.766 3.166 4.366 3.774 3.769 3.778 . 0 0 "[ . ]" 1
181 2 10 DT H2' 2 10 DT H3' 2.241 . 2.841 2.369 2.358 2.377 . 0 0 "[ . ]" 1
182 2 10 DT H2' 2 10 DT H6 2.093 . 2.693 2.141 2.087 2.184 . 0 0 "[ . ]" 1
183 2 10 DT H2' 2 11 DG H8 3.497 2.897 4.097 4.010 3.933 4.051 . 0 0 "[ . ]" 1
184 2 10 DT H2'' 2 10 DT H3' 2.881 2.281 3.481 2.709 2.701 2.714 . 0 0 "[ . ]" 1
185 2 10 DT H2'' 2 11 DG H8 2.971 2.371 3.571 2.424 2.400 2.446 . 0 0 "[ . ]" 1
186 2 10 DT H3' 2 11 DG H8 4.419 3.819 5.019 5.033 5.024 5.045 0.026 3 0 "[ . ]" 1
187 2 10 DT H6 2 11 DG H8 4.580 3.980 5.180 5.003 4.888 5.139 . 0 0 "[ . ]" 1
188 2 11 DG H1' 2 11 DG H2' 2.733 2.133 3.333 3.030 3.027 3.032 . 0 0 "[ . ]" 1
189 2 11 DG H1' 2 12 DC H6 3.313 2.713 3.913 3.786 3.596 3.846 . 0 0 "[ . ]" 1
190 2 11 DG H2' 2 12 DC H6 3.061 2.461 3.661 3.696 3.686 3.715 0.054 1 0 "[ . ]" 1
191 2 11 DG H2'' 2 12 DC H6 3.125 2.525 3.725 2.449 2.424 2.457 0.101 1 0 "[ . ]" 1
192 2 11 DG H3' 2 12 DC H6 4.831 4.231 5.431 5.085 5.075 5.105 . 0 0 "[ . ]" 1
193 2 11 DG H8 2 12 DC H5 4.237 3.637 4.837 3.766 3.737 3.806 . 0 0 "[ . ]" 1
194 2 11 DG H8 2 12 DC H6 4.002 3.402 4.602 4.626 4.614 4.634 0.032 2 0 "[ . ]" 1
195 2 12 DC H1' 2 12 DC H2'' 2.138 . 2.738 2.480 2.477 2.485 . 0 0 "[ . ]" 1
196 2 12 DC H1' 2 12 DC H4' 2.685 2.085 3.285 3.022 3.007 3.032 . 0 0 "[ . ]" 1
197 2 12 DC H1' 2 12 DC H6 3.344 2.744 3.944 3.745 3.739 3.749 . 0 0 "[ . ]" 1
198 2 12 DC H2' 2 13 DG H8 3.447 2.847 4.047 4.065 4.051 4.070 0.023 6 0 "[ . ]" 1
199 2 12 DC H2'' 2 12 DC H6 2.517 . 3.117 3.166 3.148 3.190 0.073 1 0 "[ . ]" 1
200 2 13 DG H1' 2 13 DG H2' 3.173 2.573 3.773 3.032 3.029 3.038 . 0 0 "[ . ]" 1
201 2 13 DG H1' 2 13 DG H2'' 2.299 . 2.899 2.441 2.435 2.445 . 0 0 "[ . ]" 1
202 2 13 DG H1' 2 13 DG H4' 2.984 2.384 3.584 3.322 3.252 3.371 . 0 0 "[ . ]" 1
203 2 13 DG H1' 2 13 DG H8 3.429 2.829 4.029 3.909 3.890 3.932 . 0 0 "[ . ]" 1
204 2 13 DG H2' 2 13 DG H3' 2.497 . 3.097 2.490 2.484 2.500 . 0 0 "[ . ]" 1
205 2 13 DG H2'' 2 13 DG H3' 2.961 2.361 3.561 2.705 2.702 2.707 . 0 0 "[ . ]" 1
206 2 13 DG H3' 2 13 DG H4' 2.591 . 3.191 2.695 2.687 2.701 . 0 0 "[ . ]" 1
207 2 13 DG H3' 2 13 DG H8 4.349 3.749 4.949 4.825 4.776 4.934 . 0 0 "[ . ]" 1
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