NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368667 |
1axl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1axl
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 224
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 159.322
_Distance_constraint_stats_list.Viol_max 0.423
_Distance_constraint_stats_list.Viol_rms 0.0544
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.1116
_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 1.138 0.208 5 0 "[ . ]"
1 2 DC 1.833 0.251 5 0 "[ . ]"
1 3 DA 1.732 0.222 2 0 "[ . ]"
1 4 DT 2.968 0.293 1 0 "[ . ]"
1 5 DC 0.503 0.090 4 0 "[ . ]"
1 6 DG 0.910 0.214 2 0 "[ . ]"
1 7 DC 3.518 0.423 1 0 "[ . ]"
1 8 DT 3.146 0.423 1 0 "[ . ]"
1 9 DA 1.247 0.120 2 0 "[ . ]"
1 10 DC 2.359 0.184 4 0 "[ . ]"
1 11 DC 1.130 0.184 4 0 "[ . ]"
2 1 DG 1.081 0.191 4 0 "[ . ]"
2 2 DG 3.165 0.290 4 0 "[ . ]"
2 3 DT 3.674 0.233 5 0 "[ . ]"
2 4 DA 0.911 0.153 6 0 "[ . ]"
2 5 DG 0.586 0.153 6 0 "[ . ]"
2 6 DG 1.020 0.181 5 0 "[ . ]"
2 7 DA 1.210 0.181 5 0 "[ . ]"
2 8 DT 4.705 0.316 3 0 "[ . ]"
2 9 DG 2.873 0.316 3 0 "[ . ]"
2 10 DG 0.775 0.154 2 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'' 2.260 . 2.720 2.292 2.273 2.312 . 0 0 "[ . ]" 1
2 1 1 DC H1' 1 1 DC H3' 3.510 2.810 4.210 3.655 3.606 3.690 . 0 0 "[ . ]" 1
3 1 1 DC H1' 1 1 DC H4' 2.930 2.350 3.510 3.175 2.897 3.363 . 0 0 "[ . ]" 1
4 1 1 DC H2' 1 1 DC H3' 2.560 2.040 3.080 2.315 2.272 2.346 . 0 0 "[ . ]" 1
5 1 1 DC H2' 1 1 DC H6 2.590 2.070 3.110 2.264 2.241 2.281 . 0 0 "[ . ]" 1
6 1 1 DC H2' 1 2 DC H5 3.410 2.730 4.090 2.913 2.825 2.966 . 0 0 "[ . ]" 1
7 1 1 DC H2'' 1 1 DC H6 3.060 2.440 3.680 3.644 3.600 3.690 0.010 2 0 "[ . ]" 1
8 1 1 DC H2'' 1 2 DC H5 2.960 2.360 3.560 3.027 2.850 3.326 . 0 0 "[ . ]" 1
9 1 1 DC H2'' 1 2 DC H6 2.750 2.210 3.290 2.448 2.345 2.620 . 0 0 "[ . ]" 1
10 1 1 DC H3' 1 1 DC H6 3.340 2.680 4.000 4.134 4.079 4.208 0.208 5 0 "[ . ]" 1
11 1 1 DC H3' 1 2 DC H6 3.650 2.910 4.390 4.414 4.207 4.512 0.122 6 0 "[ . ]" 1
12 1 1 DC H6 1 2 DC H5 3.580 2.860 4.300 4.027 3.757 4.213 . 0 0 "[ . ]" 1
13 1 2 DC H1' 1 2 DC H2' 3.150 2.530 3.770 3.108 3.099 3.117 . 0 0 "[ . ]" 1
14 1 2 DC H1' 1 2 DC H2'' 2.540 2.040 3.040 2.521 2.484 2.543 . 0 0 "[ . ]" 1
15 1 2 DC H1' 1 2 DC H6 3.410 2.730 4.090 3.674 3.611 3.721 . 0 0 "[ . ]" 1
16 1 2 DC H1' 1 3 DA H8 3.600 2.880 4.320 3.679 3.470 3.888 . 0 0 "[ . ]" 1
17 1 2 DC H2' 1 2 DC H5 3.290 2.630 4.290 4.323 4.308 4.337 0.047 2 0 "[ . ]" 1
18 1 2 DC H2' 1 2 DC H6 2.230 . 2.670 1.969 1.945 1.986 . 0 0 "[ . ]" 1
19 1 2 DC H2' 1 3 DA H8 3.970 3.170 4.770 4.672 4.494 4.813 0.043 1 0 "[ . ]" 1
20 1 2 DC H2'' 1 3 DA H8 3.320 2.320 3.980 3.036 2.977 3.147 . 0 0 "[ . ]" 1
21 1 2 DC H3' 1 2 DC H6 3.400 2.720 4.080 4.289 4.256 4.331 0.251 5 0 "[ . ]" 1
22 1 2 DC H5 1 2 DC H6 2.390 . 2.870 2.367 2.353 2.388 . 0 0 "[ . ]" 1
23 1 3 DA H1' 1 3 DA H2' 2.680 2.140 3.220 3.060 3.053 3.067 . 0 0 "[ . ]" 1
24 1 3 DA H1' 1 3 DA H2'' 2.310 . 2.770 2.331 2.280 2.351 . 0 0 "[ . ]" 1
25 1 3 DA H1' 1 3 DA H3' 3.620 2.900 4.340 3.714 3.665 3.784 . 0 0 "[ . ]" 1
26 1 3 DA H1' 1 3 DA H4' 3.160 2.520 3.800 2.928 2.875 2.992 . 0 0 "[ . ]" 1
27 1 3 DA H1' 1 3 DA H8 3.620 2.900 4.340 3.867 3.828 3.896 . 0 0 "[ . ]" 1
28 1 3 DA H1' 1 4 DT H6 3.380 2.700 4.060 3.246 3.081 3.415 . 0 0 "[ . ]" 1
29 1 3 DA H1' 1 4 DT M7 4.530 3.630 5.430 3.568 3.508 3.721 0.122 2 0 "[ . ]" 1
30 1 3 DA H2' 1 4 DT H6 3.370 2.690 4.050 4.223 4.206 4.272 0.222 2 0 "[ . ]" 1
31 1 3 DA H2'' 1 4 DT H6 2.790 2.230 3.350 2.507 2.477 2.523 . 0 0 "[ . ]" 1
32 1 3 DA H3' 1 3 DA H8 3.370 2.690 4.370 4.371 4.209 4.449 0.079 6 0 "[ . ]" 1
33 1 3 DA H3' 1 4 DT H6 4.500 3.600 5.400 4.924 4.726 5.005 . 0 0 "[ . ]" 1
34 1 3 DA H8 1 4 DT H6 4.660 3.720 5.600 5.235 5.007 5.490 . 0 0 "[ . ]" 1
35 1 4 DT H1' 1 4 DT H2' 3.010 2.410 3.610 3.074 3.041 3.113 . 0 0 "[ . ]" 1
36 1 4 DT H1' 1 4 DT H2'' 2.400 . 2.880 2.357 2.319 2.388 . 0 0 "[ . ]" 1
37 1 4 DT H1' 1 4 DT H6 3.530 2.830 4.230 3.687 3.642 3.721 . 0 0 "[ . ]" 1
38 1 4 DT H1' 1 5 DC H6 4.030 3.230 4.830 4.873 4.814 4.920 0.090 4 0 "[ . ]" 1
39 1 4 DT H2' 1 4 DT H3' 2.790 2.230 3.350 2.363 2.330 2.398 . 0 0 "[ . ]" 1
40 1 4 DT H2' 1 4 DT H6 2.580 2.060 3.100 2.272 2.211 2.353 . 0 0 "[ . ]" 1
41 1 4 DT H2' 1 5 DC H6 3.360 2.680 4.040 3.894 3.380 4.116 0.076 2 0 "[ . ]" 1
42 1 4 DT H2'' 1 4 DT H6 3.110 2.490 3.730 3.655 3.495 3.819 0.089 5 0 "[ . ]" 1
43 1 4 DT H2'' 1 5 DC H6 3.200 2.560 3.840 2.778 2.682 2.830 . 0 0 "[ . ]" 1
44 1 4 DT H3' 1 4 DT H6 3.020 2.420 4.020 4.109 3.680 4.313 0.293 1 0 "[ . ]" 1
45 1 4 DT H3' 1 5 DC H6 3.890 3.110 4.670 4.583 4.424 4.733 0.063 5 0 "[ . ]" 1
46 1 4 DT H6 1 4 DT M7 2.570 2.050 3.090 2.480 2.424 2.557 . 0 0 "[ . ]" 1
47 1 4 DT H6 1 5 DC H5 3.880 3.100 4.660 4.087 3.907 4.239 . 0 0 "[ . ]" 1
48 1 5 DC H1' 1 5 DC H2'' 2.570 2.050 3.090 2.404 2.371 2.480 . 0 0 "[ . ]" 1
49 1 5 DC H1' 1 5 DC H6 3.720 2.980 4.460 3.738 3.640 3.770 . 0 0 "[ . ]" 1
50 1 5 DC H2' 1 5 DC H6 2.710 2.190 3.230 2.522 2.414 2.631 . 0 0 "[ . ]" 1
51 1 5 DC H2'' 1 5 DC H3' 3.410 2.730 4.090 3.057 3.020 3.104 . 0 0 "[ . ]" 1
52 1 5 DC H2'' 1 5 DC H6 3.840 3.080 4.600 3.934 3.895 4.001 . 0 0 "[ . ]" 1
53 1 5 DC H3' 1 5 DC H6 2.530 2.030 3.530 2.291 2.210 2.334 . 0 0 "[ . ]" 1
54 1 5 DC H5 1 5 DC H6 2.580 2.060 3.100 2.432 2.411 2.447 . 0 0 "[ . ]" 1
55 1 6 DG H1' 1 6 DG H2' 2.980 2.380 3.580 3.053 2.753 3.138 . 0 0 "[ . ]" 1
56 1 6 DG H1' 1 6 DG H2'' 2.580 2.060 3.100 2.434 2.397 2.505 . 0 0 "[ . ]" 1
57 1 6 DG H1' 1 6 DG H3' 3.770 3.010 4.530 3.804 3.711 3.906 . 0 0 "[ . ]" 1
58 1 6 DG H1' 1 6 DG H4' 3.650 2.910 4.390 3.494 3.408 3.653 . 0 0 "[ . ]" 1
59 1 6 DG H1' 1 6 DG H8 3.630 2.910 4.350 3.415 3.287 3.514 . 0 0 "[ . ]" 1
60 1 6 DG H1' 1 7 DC H6 4.170 3.330 5.010 4.347 3.675 5.048 0.038 6 0 "[ . ]" 1
61 1 6 DG H2' 1 7 DC H6 3.030 2.430 3.630 3.628 2.754 3.844 0.214 2 0 "[ . ]" 1
62 1 6 DG H2'' 1 6 DG H3' 2.740 2.200 3.280 2.772 2.680 2.949 . 0 0 "[ . ]" 1
63 1 6 DG H2'' 1 7 DC H6 2.840 2.280 3.400 2.597 2.464 2.801 . 0 0 "[ . ]" 1
64 1 6 DG H3' 1 7 DC H6 3.310 2.650 3.970 3.337 3.102 3.593 . 0 0 "[ . ]" 1
65 1 7 DC H1' 1 7 DC H2' 2.950 2.350 3.550 2.628 2.542 2.738 . 0 0 "[ . ]" 1
66 1 7 DC H1' 1 7 DC H2'' 2.670 2.130 3.210 2.401 2.372 2.437 . 0 0 "[ . ]" 1
67 1 7 DC H1' 1 7 DC H6 3.110 2.490 3.730 3.416 3.297 3.622 . 0 0 "[ . ]" 1
68 1 7 DC H1' 1 8 DT H6 3.530 2.830 4.230 4.500 4.408 4.653 0.423 1 0 "[ . ]" 1
69 1 7 DC H2' 1 7 DC H3' 2.850 2.270 3.430 2.584 2.512 2.630 . 0 0 "[ . ]" 1
70 1 7 DC H2' 1 8 DT H6 2.590 2.070 3.590 2.117 2.057 2.228 0.013 5 0 "[ . ]" 1
71 1 7 DC H2'' 1 7 DC H3' 3.060 2.440 3.680 3.077 3.035 3.092 . 0 0 "[ . ]" 1
72 1 7 DC H2'' 1 8 DT H6 2.880 2.300 3.460 3.441 2.980 3.711 0.251 5 0 "[ . ]" 1
73 1 7 DC H3' 1 7 DC H6 3.040 2.440 3.640 3.194 2.751 3.645 0.005 6 0 "[ . ]" 1
74 1 7 DC H3' 1 8 DT H6 3.400 2.720 4.400 3.287 2.803 4.279 . 0 0 "[ . ]" 1
75 1 7 DC H5 1 7 DC H6 2.460 . 2.960 2.458 2.414 2.498 . 0 0 "[ . ]" 1
76 1 7 DC H5 1 8 DT M7 3.780 3.020 4.540 3.285 2.828 3.680 0.192 5 0 "[ . ]" 1
77 1 7 DC H6 1 8 DT M7 3.550 2.850 4.250 3.086 2.726 3.303 0.124 3 0 "[ . ]" 1
78 1 8 DT H1' 1 8 DT H2'' 2.330 . 2.560 2.537 2.510 2.561 0.001 6 0 "[ . ]" 1
79 1 8 DT H1' 1 8 DT H3' 3.070 2.450 3.690 3.529 3.486 3.569 . 0 0 "[ . ]" 1
80 1 8 DT H1' 1 8 DT H4' 2.600 2.080 3.600 2.889 2.667 3.009 . 0 0 "[ . ]" 1
81 1 8 DT H1' 1 8 DT H6 3.410 2.730 4.090 3.688 3.665 3.745 . 0 0 "[ . ]" 1
82 1 8 DT H1' 1 9 DA H8 3.470 2.770 4.170 3.644 3.553 3.793 . 0 0 "[ . ]" 1
83 1 8 DT H2' 1 8 DT H6 . 2.280 2.780 2.237 2.134 2.339 0.146 4 0 "[ . ]" 1
84 1 8 DT H2'' 1 8 DT H6 2.880 2.300 3.460 3.366 3.270 3.472 0.012 6 0 "[ . ]" 1
85 1 8 DT H3' 1 8 DT H6 3.190 2.550 4.190 4.215 4.129 4.293 0.103 6 0 "[ . ]" 1
86 1 8 DT H3' 1 9 DA H8 4.210 3.370 5.050 4.625 4.114 4.861 . 0 0 "[ . ]" 1
87 1 8 DT H6 1 8 DT M7 2.650 2.130 3.170 2.428 2.370 2.546 . 0 0 "[ . ]" 1
88 1 8 DT H6 1 9 DA H8 4.950 3.950 5.950 5.483 4.772 5.910 . 0 0 "[ . ]" 1
89 1 9 DA H1' 1 9 DA H2'' 2.230 . 2.670 2.283 2.254 2.299 . 0 0 "[ . ]" 1
90 1 9 DA H1' 1 9 DA H3' 3.590 2.870 4.310 3.675 3.586 3.710 . 0 0 "[ . ]" 1
91 1 9 DA H1' 1 9 DA H4' 2.830 2.270 3.390 3.106 2.982 3.332 . 0 0 "[ . ]" 1
92 1 9 DA H1' 1 9 DA H8 3.590 2.870 4.310 3.902 3.873 3.931 . 0 0 "[ . ]" 1
93 1 9 DA H1' 1 10 DC H6 3.100 2.480 3.720 3.387 3.130 3.741 0.021 3 0 "[ . ]" 1
94 1 9 DA H2' 1 9 DA H8 2.280 2.190 2.740 2.342 2.316 2.358 . 0 0 "[ . ]" 1
95 1 9 DA H2' 1 10 DC H5 3.600 2.880 4.320 3.654 3.526 3.720 . 0 0 "[ . ]" 1
96 1 9 DA H2' 1 10 DC H6 2.710 2.170 3.710 3.535 3.297 3.695 . 0 0 "[ . ]" 1
97 1 9 DA H2'' 1 9 DA H8 2.950 2.350 3.550 3.631 3.596 3.646 0.096 4 0 "[ . ]" 1
98 1 9 DA H2'' 1 10 DC H5 3.450 2.770 4.130 3.526 3.306 3.730 . 0 0 "[ . ]" 1
99 1 9 DA H2'' 1 10 DC H6 2.540 2.040 3.040 2.251 2.212 2.291 . 0 0 "[ . ]" 1
100 1 9 DA H3' 1 9 DA H8 3.610 2.890 4.330 4.353 4.310 4.432 0.102 1 0 "[ . ]" 1
101 1 9 DA H3' 1 10 DC H6 3.990 3.190 4.790 4.884 4.849 4.910 0.120 2 0 "[ . ]" 1
102 1 9 DA H8 1 10 DC H5 3.520 2.820 4.220 3.667 3.363 3.894 . 0 0 "[ . ]" 1
103 1 9 DA H8 1 10 DC H6 4.530 3.630 5.430 4.588 4.406 4.835 . 0 0 "[ . ]" 1
104 1 10 DC H1' 1 10 DC H2'' 2.280 . 2.740 2.204 2.176 2.230 . 0 0 "[ . ]" 1
105 1 10 DC H1' 1 10 DC H3' 3.300 2.640 3.960 3.703 3.671 3.765 . 0 0 "[ . ]" 1
106 1 10 DC H1' 1 10 DC H4' 2.690 2.150 3.230 2.662 2.584 2.738 . 0 0 "[ . ]" 1
107 1 10 DC H1' 1 10 DC H6 3.240 2.600 3.880 3.653 3.643 3.682 . 0 0 "[ . ]" 1
108 1 10 DC H1' 1 11 DC H6 3.180 2.540 3.820 3.877 3.841 3.925 0.105 1 0 "[ . ]" 1
109 1 10 DC H2' 1 10 DC H5 4.060 3.240 4.880 4.324 4.263 4.408 . 0 0 "[ . ]" 1
110 1 10 DC H2' 1 10 DC H6 2.310 . 2.770 2.208 2.184 2.240 . 0 0 "[ . ]" 1
111 1 10 DC H2' 1 11 DC H5 3.430 2.750 4.110 3.037 3.004 3.109 . 0 0 "[ . ]" 1
112 1 10 DC H2'' 1 10 DC H3' 2.910 2.330 3.490 2.806 2.761 2.854 . 0 0 "[ . ]" 1
113 1 10 DC H2'' 1 10 DC H6 2.990 2.390 3.590 3.674 3.655 3.697 0.107 6 0 "[ . ]" 1
114 1 10 DC H2'' 1 11 DC H5 3.460 2.760 4.160 3.567 3.392 3.745 . 0 0 "[ . ]" 1
115 1 10 DC H3' 1 10 DC H6 3.020 2.420 3.620 3.593 3.414 3.702 0.082 6 0 "[ . ]" 1
116 1 10 DC H3' 1 11 DC H6 3.470 2.770 4.170 4.301 4.250 4.354 0.184 4 0 "[ . ]" 1
117 1 10 DC H5 1 10 DC H6 2.380 . 2.860 2.490 2.470 2.509 . 0 0 "[ . ]" 1
118 1 10 DC H6 1 11 DC H5 3.520 2.820 4.220 3.593 3.398 3.795 . 0 0 "[ . ]" 1
119 1 11 DC H1' 1 11 DC H3' 3.400 2.720 4.080 3.566 3.532 3.584 . 0 0 "[ . ]" 1
120 1 11 DC H1' 1 11 DC H4' 2.850 2.290 3.410 3.042 2.949 3.095 . 0 0 "[ . ]" 1
121 1 11 DC H5 1 11 DC H6 2.390 . 2.870 2.464 2.456 2.471 . 0 0 "[ . ]" 1
122 2 1 DG H1' 2 1 DG H2' 2.750 2.210 3.290 3.074 3.039 3.122 . 0 0 "[ . ]" 1
123 2 1 DG H1' 2 1 DG H2'' 2.480 . 2.980 2.455 2.412 2.480 . 0 0 "[ . ]" 1
124 2 1 DG H1' 2 1 DG H8 3.360 2.680 4.040 3.825 3.778 3.859 . 0 0 "[ . ]" 1
125 2 1 DG H1' 2 2 DG H8 3.110 2.490 3.730 3.022 2.882 3.274 . 0 0 "[ . ]" 1
126 2 1 DG H2' 2 1 DG H3' 2.640 2.120 3.160 2.434 2.422 2.450 . 0 0 "[ . ]" 1
127 2 1 DG H2' 2 1 DG H8 2.370 . 2.850 2.160 2.097 2.205 . 0 0 "[ . ]" 1
128 2 1 DG H2'' 2 1 DG H3' 2.850 2.270 3.430 2.706 2.677 2.725 . 0 0 "[ . ]" 1
129 2 1 DG H2'' 2 1 DG H8 2.790 2.230 3.790 3.551 3.460 3.642 . 0 0 "[ . ]" 1
130 2 1 DG H3' 2 1 DG H8 3.510 2.810 4.210 4.337 4.299 4.401 0.191 4 0 "[ . ]" 1
131 2 1 DG H3' 2 2 DG H8 3.350 2.670 4.350 4.368 4.224 4.468 0.118 2 0 "[ . ]" 1
132 2 2 DG H1' 2 2 DG H2' 2.690 2.150 3.230 3.082 3.071 3.094 . 0 0 "[ . ]" 1
133 2 2 DG H1' 2 2 DG H2'' 2.350 . 2.810 2.328 2.305 2.349 . 0 0 "[ . ]" 1
134 2 2 DG H1' 2 2 DG H3' 3.820 3.060 4.580 3.703 3.680 3.773 . 0 0 "[ . ]" 1
135 2 2 DG H1' 2 2 DG H4' 3.050 2.430 3.670 3.145 3.028 3.234 . 0 0 "[ . ]" 1
136 2 2 DG H1' 2 2 DG H8 3.500 2.800 4.200 3.883 3.846 3.915 . 0 0 "[ . ]" 1
137 2 2 DG H1' 2 3 DT H6 3.220 2.580 3.860 3.446 3.285 3.703 . 0 0 "[ . ]" 1
138 2 2 DG H1' 2 3 DT M7 4.210 3.370 5.050 3.493 3.376 3.746 . 0 0 "[ . ]" 1
139 2 2 DG H2' 2 3 DT H6 2.720 2.180 3.720 3.888 3.820 3.948 0.228 2 0 "[ . ]" 1
140 2 2 DG H2'' 2 2 DG H8 2.790 2.230 3.350 3.606 3.544 3.640 0.290 4 0 "[ . ]" 1
141 2 2 DG H2'' 2 3 DT H6 2.570 2.050 3.090 2.282 2.249 2.335 . 0 0 "[ . ]" 1
142 2 2 DG H3' 2 3 DT H6 3.650 2.910 4.650 4.699 4.637 4.722 0.072 2 0 "[ . ]" 1
143 2 2 DG H8 2 3 DT M7 2.930 2.350 3.510 2.705 2.644 2.795 . 0 0 "[ . ]" 1
144 2 3 DT H1' 2 3 DT H2' 2.720 2.180 3.260 3.116 3.097 3.132 . 0 0 "[ . ]" 1
145 2 3 DT H1' 2 3 DT H2'' 2.340 . 2.800 2.422 2.403 2.442 . 0 0 "[ . ]" 1
146 2 3 DT H1' 2 3 DT H3' 3.870 3.090 4.650 3.738 3.687 3.797 . 0 0 "[ . ]" 1
147 2 3 DT H1' 2 3 DT H4' 2.680 2.140 3.680 3.050 2.897 3.098 . 0 0 "[ . ]" 1
148 2 3 DT H1' 2 3 DT H6 3.380 2.700 4.060 3.697 3.654 3.763 . 0 0 "[ . ]" 1
149 2 3 DT H1' 2 4 DA H8 3.510 2.810 4.210 3.799 3.507 4.019 . 0 0 "[ . ]" 1
150 2 3 DT H2' 2 3 DT H3' 2.540 2.040 3.040 2.248 2.209 2.297 . 0 0 "[ . ]" 1
151 2 3 DT H2' 2 3 DT H6 2.260 . 2.720 2.034 1.985 2.121 . 0 0 "[ . ]" 1
152 2 3 DT H2'' 2 3 DT H3' 2.270 . 2.730 2.646 2.589 2.698 . 0 0 "[ . ]" 1
153 2 3 DT H2'' 2 3 DT H6 2.740 2.200 3.280 3.390 3.336 3.493 0.213 6 0 "[ . ]" 1
154 2 3 DT H3' 2 3 DT H6 3.170 2.530 3.810 3.998 3.912 4.043 0.233 5 0 "[ . ]" 1
155 2 3 DT H3' 2 4 DA H8 4.220 3.380 5.060 4.894 4.584 5.079 0.019 5 0 "[ . ]" 1
156 2 3 DT H4' 2 3 DT H6 3.620 2.900 4.340 4.429 4.352 4.489 0.149 5 0 "[ . ]" 1
157 2 3 DT H6 2 3 DT M7 2.530 2.030 3.030 2.501 2.459 2.563 . 0 0 "[ . ]" 1
158 2 4 DA H1' 2 4 DA H2' 2.650 2.110 3.190 3.036 3.021 3.057 . 0 0 "[ . ]" 1
159 2 4 DA H1' 2 4 DA H2'' 2.390 . 2.870 2.353 2.330 2.375 . 0 0 "[ . ]" 1
160 2 4 DA H1' 2 4 DA H3' 3.500 2.800 4.200 3.684 3.648 3.726 . 0 0 "[ . ]" 1
161 2 4 DA H1' 2 4 DA H4' 2.830 2.270 3.390 3.065 2.875 3.399 0.009 4 0 "[ . ]" 1
162 2 4 DA H1' 2 4 DA H8 3.580 2.860 4.300 3.878 3.839 3.917 . 0 0 "[ . ]" 1
163 2 4 DA H1' 2 5 DG H8 3.380 2.700 4.060 3.596 3.306 3.974 . 0 0 "[ . ]" 1
164 2 4 DA H2' 2 4 DA H8 2.210 . 2.650 2.137 2.115 2.153 . 0 0 "[ . ]" 1
165 2 4 DA H2' 2 5 DG H8 3.010 2.410 3.610 3.658 3.506 3.763 0.153 6 0 "[ . ]" 1
166 2 4 DA H2'' 2 4 DA H3' 2.570 2.050 3.090 2.708 2.681 2.756 . 0 0 "[ . ]" 1
167 2 4 DA H2'' 2 4 DA H4' 3.990 3.190 4.790 3.996 3.901 4.134 . 0 0 "[ . ]" 1
168 2 4 DA H2'' 2 4 DA H8 2.840 2.280 3.400 3.480 3.437 3.519 0.119 6 0 "[ . ]" 1
169 2 4 DA H2'' 2 5 DG H8 2.840 2.280 3.400 2.555 2.466 2.823 . 0 0 "[ . ]" 1
170 2 4 DA H8 2 5 DG H8 4.300 3.440 5.160 4.321 3.809 4.721 . 0 0 "[ . ]" 1
171 2 5 DG H1' 2 5 DG H3' 3.580 2.860 4.300 3.705 3.617 3.826 . 0 0 "[ . ]" 1
172 2 5 DG H1' 2 5 DG H4' 2.840 2.280 3.400 2.805 2.605 2.931 . 0 0 "[ . ]" 1
173 2 5 DG H1' 2 5 DG H8 3.590 2.870 4.310 3.762 3.531 3.837 . 0 0 "[ . ]" 1
174 2 5 DG H1' 2 6 DG H8 4.000 3.200 4.800 4.455 3.760 4.911 0.111 3 0 "[ . ]" 1
175 2 6 DG H1' 2 6 DG H2'' 2.460 . 2.960 2.427 2.380 2.458 . 0 0 "[ . ]" 1
176 2 6 DG H1' 2 6 DG H3' 3.620 2.900 4.340 3.629 3.554 3.742 . 0 0 "[ . ]" 1
177 2 6 DG H1' 2 6 DG H4' 3.210 2.570 3.850 3.095 2.918 3.287 . 0 0 "[ . ]" 1
178 2 6 DG H1' 2 6 DG H8 3.320 2.660 3.980 3.859 3.833 3.887 . 0 0 "[ . ]" 1
179 2 6 DG H1' 2 7 DA H8 3.460 2.760 4.160 3.432 3.174 3.713 . 0 0 "[ . ]" 1
180 2 6 DG H2' 2 7 DA H8 3.240 2.600 3.880 4.015 3.982 4.061 0.181 5 0 "[ . ]" 1
181 2 6 DG H2'' 2 6 DG H4' 3.870 3.090 4.650 4.066 3.916 4.131 . 0 0 "[ . ]" 1
182 2 6 DG H2'' 2 6 DG H8 2.610 2.090 3.610 3.571 3.500 3.619 0.009 5 0 "[ . ]" 1
183 2 6 DG H8 2 7 DA H8 5.290 4.230 6.350 5.321 5.057 5.818 . 0 0 "[ . ]" 1
184 2 7 DA H1' 2 7 DA H2' 2.710 2.170 3.250 3.022 2.994 3.042 . 0 0 "[ . ]" 1
185 2 7 DA H1' 2 7 DA H2'' 2.370 . 2.850 2.332 2.302 2.356 . 0 0 "[ . ]" 1
186 2 7 DA H1' 2 7 DA H3' 3.510 2.810 4.210 3.667 3.529 3.790 . 0 0 "[ . ]" 1
187 2 7 DA H1' 2 7 DA H4' 2.880 2.300 3.460 3.178 3.118 3.279 . 0 0 "[ . ]" 1
188 2 7 DA H1' 2 7 DA H8 3.570 2.850 4.290 3.941 3.923 3.964 . 0 0 "[ . ]" 1
189 2 7 DA H1' 2 8 DT H6 3.220 2.580 3.860 3.299 3.119 3.522 . 0 0 "[ . ]" 1
190 2 7 DA H2' 2 8 DT H6 3.150 2.510 3.790 3.798 3.615 3.949 0.159 5 0 "[ . ]" 1
191 2 7 DA H2'' 2 7 DA H4' 3.710 2.970 4.450 4.046 3.999 4.089 . 0 0 "[ . ]" 1
192 2 7 DA H2'' 2 8 DT H6 2.690 2.150 3.230 2.402 2.326 2.451 . 0 0 "[ . ]" 1
193 2 7 DA H3' 2 8 DT H6 4.410 3.530 5.290 5.061 4.836 5.216 . 0 0 "[ . ]" 1
194 2 7 DA H8 2 8 DT H6 4.540 3.640 5.440 4.919 4.418 5.240 . 0 0 "[ . ]" 1
195 2 7 DA H8 2 8 DT M7 2.900 2.320 3.480 2.596 2.522 2.679 . 0 0 "[ . ]" 1
196 2 8 DT H1' 2 8 DT H2' 3.080 2.460 3.700 3.168 3.156 3.180 . 0 0 "[ . ]" 1
197 2 8 DT H1' 2 8 DT H2'' 2.420 . 2.900 2.462 2.441 2.505 . 0 0 "[ . ]" 1
198 2 8 DT H1' 2 8 DT H6 3.440 2.760 4.120 3.587 3.536 3.632 . 0 0 "[ . ]" 1
199 2 8 DT H1' 2 9 DG H8 3.810 3.050 4.570 3.404 3.200 3.609 . 0 0 "[ . ]" 1
200 2 8 DT H2' 2 8 DT H3' 2.600 2.080 3.120 2.386 2.332 2.437 . 0 0 "[ . ]" 1
201 2 8 DT H2' 2 8 DT H6 2.320 . 2.780 2.214 2.175 2.251 . 0 0 "[ . ]" 1
202 2 8 DT H2' 2 9 DG H8 3.440 2.760 4.120 4.356 4.255 4.415 0.295 1 0 "[ . ]" 1
203 2 8 DT H2'' 2 8 DT H3' 2.670 2.130 3.210 2.752 2.663 2.871 . 0 0 "[ . ]" 1
204 2 8 DT H2'' 2 8 DT H6 2.890 2.310 3.470 3.438 3.303 3.500 0.030 6 0 "[ . ]" 1
205 2 8 DT H2'' 2 9 DG H8 3.230 2.230 3.870 2.755 2.712 2.819 . 0 0 "[ . ]" 1
206 2 8 DT H3' 2 8 DT H6 3.210 2.570 3.850 4.023 3.943 4.089 0.239 5 0 "[ . ]" 1
207 2 8 DT H3' 2 9 DG H8 3.780 3.020 4.540 4.262 3.784 4.551 0.011 1 0 "[ . ]" 1
208 2 8 DT H4' 2 8 DT H6 3.710 2.970 4.450 4.483 4.384 4.627 0.177 2 0 "[ . ]" 1
209 2 8 DT H6 2 8 DT M7 2.520 2.020 3.020 2.467 2.436 2.491 . 0 0 "[ . ]" 1
210 2 8 DT H6 2 9 DG H8 4.790 3.830 5.750 5.988 5.873 6.066 0.316 3 0 "[ . ]" 1
211 2 9 DG H1' 2 9 DG H2' 2.510 2.010 3.010 3.010 2.999 3.016 0.006 2 0 "[ . ]" 1
212 2 9 DG H1' 2 9 DG H2'' 2.330 . 2.790 2.320 2.294 2.344 . 0 0 "[ . ]" 1
213 2 9 DG H1' 2 9 DG H3' 3.720 2.980 4.460 3.727 3.673 3.820 . 0 0 "[ . ]" 1
214 2 9 DG H1' 2 9 DG H4' 3.020 2.420 3.620 3.373 3.282 3.452 . 0 0 "[ . ]" 1
215 2 10 DG H1' 2 10 DG H2' 2.700 2.160 3.240 3.066 3.042 3.080 . 0 0 "[ . ]" 1
216 2 10 DG H1' 2 10 DG H2'' 2.310 . 2.770 2.356 2.332 2.370 . 0 0 "[ . ]" 1
217 2 10 DG H1' 2 10 DG H3' 3.460 2.760 4.160 3.726 3.694 3.788 . 0 0 "[ . ]" 1
218 2 10 DG H1' 2 10 DG H4' 2.530 2.030 3.030 2.789 2.612 2.930 . 0 0 "[ . ]" 1
219 2 10 DG H1' 2 10 DG H8 3.500 2.800 4.200 3.861 3.819 3.913 . 0 0 "[ . ]" 1
220 2 10 DG H2' 2 10 DG H8 2.300 . 2.760 2.157 2.110 2.195 . 0 0 "[ . ]" 1
221 2 10 DG H2'' 2 10 DG H3' 2.840 2.280 3.400 2.816 2.788 2.850 . 0 0 "[ . ]" 1
222 2 10 DG H2'' 2 10 DG H4' 3.670 2.930 4.410 3.890 3.803 3.933 . 0 0 "[ . ]" 1
223 2 10 DG H2'' 2 10 DG H8 2.970 2.370 3.570 3.568 3.507 3.667 0.097 1 0 "[ . ]" 1
224 2 10 DG H3' 2 10 DG H8 3.300 2.640 3.960 4.064 3.982 4.114 0.154 2 0 "[ . ]" 1
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