NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631208 |
5z8f   |
36160 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5z8f
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 418
_Distance_constraint_stats_list.Viol_count 670
_Distance_constraint_stats_list.Viol_total 4130.191
_Distance_constraint_stats_list.Viol_max 4.095
_Distance_constraint_stats_list.Viol_rms 0.4863
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0988
_Distance_constraint_stats_list.Viol_average_violations_only 0.6164
_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 DA 42.541 3.863 5 10 [****+*-***]
1 2 DA 43.697 3.863 5 10 [****+*-***]
1 3 DA 1.144 0.071 5 0 "[ . 1]"
1 4 DG 0.822 0.082 9 0 "[ . 1]"
1 5 DG 1.405 0.082 9 0 "[ . 1]"
1 6 DG 0.647 0.079 2 0 "[ . 1]"
1 8 DT 15.496 1.475 8 9 "[ ****-*+**]"
1 9 DA 14.302 1.475 8 9 "[ ****-*+**]"
1 10 DG 1.687 0.173 8 0 "[ . 1]"
1 11 DG 4.717 0.457 5 0 "[ . 1]"
1 12 DG 0.382 0.035 6 0 "[ . 1]"
1 13 DT 76.091 4.028 2 10 [*+*-******]
1 14 DT 185.975 4.095 4 10 [***+*-****]
1 15 DA 37.400 1.995 2 10 [*+***-****]
1 16 DG 26.903 1.995 2 10 [*+*****-**]
1 17 DG 3.019 0.151 10 0 "[ . 1]"
1 18 DG 7.218 0.568 9 1 "[ . +1]"
1 19 DT 10.841 1.178 10 7 "[* * *- **+]"
1 20 DT 13.861 1.178 10 9 "[*** *****+]"
1 21 DA 23.036 1.464 10 10 [*********+]
1 22 DG 1.728 0.073 8 0 "[ . 1]"
1 23 DG 3.035 0.149 2 0 "[ . 1]"
1 24 DG 10.460 1.081 1 10 [+*-*******]
1 25 DA 2.952 0.267 9 0 "[ . 1]"
1 26 DA 246.227 4.095 4 10 [***+******]
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 DA H2 1 2 DA H8 4.610 3.690 5.530 8.124 6.271 9.393 3.863 5 10 [****+**-**] 1
2 1 1 DA H8 1 2 DA H2 4.500 3.600 5.400 7.046 6.029 7.682 2.282 10 10 [******-**+] 1
3 1 1 DA H1' 1 2 DA H8 5.000 3.500 6.500 5.923 5.224 6.467 . 0 0 "[ . 1]" 1
4 1 1 DA H2' 1 2 DA H8 3.300 2.300 4.300 3.899 3.372 4.322 0.022 5 0 "[ . 1]" 1
5 1 1 DA H2'' 1 2 DA H8 3.500 2.500 4.500 4.304 3.902 4.537 0.037 8 0 "[ . 1]" 1
6 1 2 DA H2 1 3 DA H2 4.000 3.200 4.800 4.553 4.275 4.806 0.006 2 0 "[ . 1]" 1
7 1 2 DA H8 1 3 DA H8 4.500 3.600 5.400 5.438 5.408 5.471 0.071 5 0 "[ . 1]" 1
8 1 2 DA H1' 1 3 DA H8 4.000 3.200 4.800 4.730 4.533 4.861 0.061 8 0 "[ . 1]" 1
9 1 2 DA H2' 1 3 DA H8 3.500 2.800 4.200 2.759 2.737 2.776 0.063 2 0 "[ . 1]" 1
10 1 2 DA H2'' 1 3 DA H8 3.200 2.500 3.900 2.946 2.678 3.222 . 0 0 "[ . 1]" 1
11 1 2 DA H3' 1 3 DA H8 5.000 4.000 6.000 4.400 4.171 4.557 . 0 0 "[ . 1]" 1
12 1 3 DA H2 1 9 DA H1' 6.500 5.300 7.700 7.188 6.886 7.428 . 0 0 "[ . 1]" 1
13 1 3 DA H2 1 9 DA H2 3.940 3.150 4.730 3.521 3.264 3.791 . 0 0 "[ . 1]" 1
14 1 3 DA H1' 1 9 DA H2 4.000 3.200 4.800 3.603 3.279 3.915 . 0 0 "[ . 1]" 1
15 1 3 DA H2'' 1 9 DA H2 5.000 4.000 6.000 4.733 4.428 5.348 . 0 0 "[ . 1]" 1
16 1 8 DT H1' 1 9 DA H8 6.000 4.800 7.200 8.325 7.634 8.675 1.475 8 9 "[ -*****+**]" 1
17 1 8 DT Q2' 1 9 DA H8 . 4.400 5.040 5.297 4.730 5.632 0.592 8 3 "[ .- +*1]" 1
18 1 8 DT H3' 1 9 DA H8 5.500 4.400 6.600 5.035 4.647 5.426 . 0 0 "[ . 1]" 1
19 1 19 DT H2'' 1 20 DT H6 4.500 3.640 5.360 4.617 4.324 5.038 . 0 0 "[ . 1]" 1
20 1 19 DT H3' 1 20 DT H6 4.000 3.240 4.760 5.346 4.769 5.938 1.178 10 7 "[* * -* **+]" 1
21 1 19 DT H3' 1 21 DA H8 6.000 4.800 7.200 5.310 4.360 6.074 0.440 4 0 "[ . 1]" 1
22 1 20 DT H6 1 21 DA H8 5.500 5.000 6.000 5.173 4.981 5.606 0.019 9 0 "[ . 1]" 1
23 1 20 DT H1' 1 21 DA H8 5.000 4.500 5.500 5.532 5.498 5.567 0.067 10 0 "[ . 1]" 1
24 1 20 DT H2' 1 21 DA H1' 4.320 3.460 5.180 4.668 4.398 4.900 . 0 0 "[ . 1]" 1
25 1 20 DT H2' 1 21 DA Q5' 5.500 4.400 6.600 3.735 3.553 4.067 0.847 1 9 "[+** *****-]" 1
26 1 20 DT H2' 1 21 DA H8 3.230 2.730 3.730 2.711 2.660 2.996 0.070 8 0 "[ . 1]" 1
27 1 20 DT H2'' 1 21 DA H1' 4.590 3.670 5.510 4.490 4.003 4.612 . 0 0 "[ . 1]" 1
28 1 20 DT H2'' 1 21 DA H8 3.000 2.400 3.600 3.627 3.320 3.690 0.090 10 0 "[ . 1]" 1
29 1 20 DT H3' 1 21 DA H8 3.300 2.640 3.960 3.557 3.063 3.741 . 0 0 "[ . 1]" 1
30 1 20 DT H4' 1 21 DA H8 5.500 4.410 6.590 6.171 5.831 6.305 . 0 0 "[ . 1]" 1
31 1 4 DG H1 1 21 DA H2 5.300 4.240 6.360 5.905 5.377 6.400 0.040 7 0 "[ . 1]" 1
32 1 10 DG H1 1 21 DA H2 6.100 4.880 7.320 5.542 5.094 5.967 . 0 0 "[ . 1]" 1
33 1 18 DG H1 1 21 DA H2 4.560 3.650 5.470 5.192 4.875 5.501 0.031 7 0 "[ . 1]" 1
34 1 21 DA H2 1 22 DG H1 4.300 3.500 5.100 4.427 3.942 4.986 . 0 0 "[ . 1]" 1
35 1 18 DG H8 1 21 DA H8 4.300 3.440 5.160 4.054 3.427 4.547 0.013 7 0 "[ . 1]" 1
36 1 18 DG H3' 1 21 DA H8 4.500 3.600 5.400 4.088 3.814 4.554 . 0 0 "[ . 1]" 1
37 1 21 DA H8 1 22 DG H1 6.570 5.180 7.960 7.159 6.759 7.327 . 0 0 "[ . 1]" 1
38 1 18 DG H8 1 21 DA H1' 6.000 4.800 7.200 5.804 5.676 6.006 . 0 0 "[ . 1]" 1
39 1 21 DA H1' 1 22 DG H1 4.560 3.650 5.470 5.368 5.111 5.492 0.022 10 0 "[ . 1]" 1
40 1 18 DG H8 1 21 DA H2' 3.850 3.080 4.620 3.168 3.060 3.424 0.020 2 0 "[ . 1]" 1
41 1 21 DA H2' 1 22 DG H1 4.500 3.600 5.400 5.051 4.888 5.237 . 0 0 "[ . 1]" 1
42 1 18 DG H8 1 21 DA H2'' 4.800 3.840 5.760 4.722 4.526 5.017 . 0 0 "[ . 1]" 1
43 1 21 DA H2'' 1 22 DG H1 4.700 3.760 5.640 4.563 4.364 4.743 . 0 0 "[ . 1]" 1
44 1 18 DG H8 1 21 DA H3' 5.000 4.000 6.000 4.528 4.167 4.962 . 0 0 "[ . 1]" 1
45 1 13 DT H3 1 25 DA H2 2.700 2.300 3.100 2.812 2.747 2.883 . 0 0 "[ . 1]" 1
46 1 14 DT H3 1 25 DA H8 2.470 . 2.970 3.157 3.035 3.237 0.267 9 0 "[ . 1]" 1
47 1 14 DT H1' 1 15 DA H8 5.020 4.020 6.020 3.451 3.164 3.637 0.856 5 6 "[ ***+- * 1]" 1
48 1 14 DT H1' 1 15 DA Q2' . 4.000 4.170 4.154 3.756 4.567 0.397 9 0 "[ . 1]" 1
49 1 14 DT H1' 1 15 DA H3' 3.000 2.400 3.600 3.048 2.916 3.357 . 0 0 "[ . 1]" 1
50 1 14 DT H4' 1 15 DA H8 4.550 3.650 5.450 3.515 2.963 3.798 0.687 4 1 "[ +. 1]" 1
51 1 14 DT H4' 1 15 DA H1' 4.900 3.920 5.880 5.721 5.330 5.865 . 0 0 "[ . 1]" 1
52 1 12 DG H1 1 15 DA H8 5.080 4.140 6.020 5.901 5.590 6.037 0.017 3 0 "[ . 1]" 1
53 1 15 DA H8 1 16 DG H1 5.070 4.150 5.990 5.830 5.654 6.011 0.021 4 0 "[ . 1]" 1
54 1 15 DA H2 1 16 DG H8 5.630 4.530 6.730 6.734 6.527 6.832 0.102 8 0 "[ . 1]" 1
55 1 15 DA H1' 1 16 DG H8 4.090 3.270 4.910 4.306 3.857 4.643 . 0 0 "[ . 1]" 1
56 1 15 DA H1' 1 16 DG H1' 5.120 4.100 6.140 6.200 5.800 6.513 0.373 5 0 "[ . 1]" 1
57 1 15 DA Q2' 1 16 DG H1 4.060 3.260 4.860 4.993 4.561 5.382 0.522 8 1 "[ . + 1]" 1
58 1 15 DA Q2' 1 16 DG H8 4.900 3.920 5.880 3.956 3.220 4.298 0.700 4 2 "[ +. -1]" 1
59 1 15 DA Q2' 1 16 DG H1' 5.230 4.230 6.230 4.848 4.174 5.198 0.056 9 0 "[ . 1]" 1
60 1 15 DA H4' 1 16 DG H8 4.830 3.870 5.790 6.427 5.520 7.115 1.325 2 7 "[*+* * *- *]" 1
61 1 15 DA H4' 1 16 DG H1' 4.900 3.940 5.860 7.267 6.468 7.855 1.995 2 10 [*+******-*] 1
62 1 25 DA H8 1 26 DA H8 4.600 3.700 5.500 4.717 4.568 4.936 . 0 0 "[ . 1]" 1
63 1 25 DA H1' 1 26 DA H8 4.800 3.840 5.760 5.761 5.656 5.804 0.044 10 0 "[ . 1]" 1
64 1 25 DA H2' 1 26 DA H8 4.150 3.320 4.980 3.621 3.490 3.701 . 0 0 "[ . 1]" 1
65 1 25 DA H2'' 1 26 DA H8 4.800 4.000 5.600 5.186 5.010 5.268 . 0 0 "[ . 1]" 1
66 1 25 DA H3' 1 26 DA H8 6.050 4.850 7.250 5.175 5.011 5.462 . 0 0 "[ . 1]" 1
67 1 25 DA H2 1 26 DA H2 4.760 3.880 5.640 4.755 4.458 5.140 . 0 0 "[ . 1]" 1
68 1 25 DA H2 1 26 DA H8 5.870 4.750 6.990 5.955 5.749 6.074 . 0 0 "[ . 1]" 1
69 1 25 DA H2 1 26 DA H1' 4.170 3.340 5.000 3.991 3.887 4.087 . 0 0 "[ . 1]" 1
70 1 13 DT H3 1 26 DA H2 4.080 3.780 4.380 4.027 3.856 4.242 . 0 0 "[ . 1]" 1
71 1 14 DT H3 1 26 DA H8 4.650 4.350 4.950 4.589 4.560 4.713 . 0 0 "[ . 1]" 1
72 1 13 DT H6 1 26 DA H2 5.520 5.220 5.820 6.993 6.705 7.087 1.267 1 10 [+**-******] 1
73 1 13 DT H3' 1 26 DA H2 . 4.850 5.710 9.538 8.951 9.738 4.028 2 10 [*+*-******] 1
74 1 14 DT H3' 1 26 DA H8 4.210 3.570 5.050 8.879 8.745 9.145 4.095 4 10 [***+*-****] 1
75 1 14 DT Q5' 1 26 DA H8 . 4.000 4.320 6.941 6.821 7.500 3.180 4 10 [***+****-*] 1
76 1 13 DT Q2' 1 26 DA H1' 5.500 4.400 6.600 9.063 8.788 9.236 2.636 2 10 [*+*-******] 1
77 1 14 DT Q5' 1 26 DA H2 . 3.550 3.750 7.597 7.521 7.824 4.074 4 10 [***+*-****] 1
78 1 14 DT H6 1 26 DA H8 4.920 4.620 5.220 8.849 8.754 9.080 3.860 5 10 [****+****-] 1
79 1 14 DT H1' 1 26 DA H8 5.200 4.200 6.200 9.410 9.343 9.568 3.368 5 10 [****+****-] 1
80 1 4 DG H8 1 5 DG H8 4.510 3.610 5.410 5.241 5.025 5.442 0.032 10 0 "[ . 1]" 1
81 1 5 DG H8 1 6 DG H8 5.100 4.130 6.060 5.485 5.270 5.653 . 0 0 "[ . 1]" 1
82 1 10 DG H8 1 11 DG H8 4.030 2.230 4.830 4.322 4.226 4.399 . 0 0 "[ . 1]" 1
83 1 11 DG H8 1 12 DG H8 4.780 3.830 5.730 4.371 4.265 4.441 . 0 0 "[ . 1]" 1
84 1 16 DG H8 1 17 DG H8 4.230 3.370 5.080 4.504 4.370 4.749 . 0 0 "[ . 1]" 1
85 1 17 DG H8 1 18 DG H8 3.970 3.180 4.760 4.301 4.126 4.445 . 0 0 "[ . 1]" 1
86 1 22 DG H8 1 23 DG H8 4.300 3.440 5.160 4.544 4.486 4.655 . 0 0 "[ . 1]" 1
87 1 23 DG H8 1 24 DG H8 4.620 3.700 5.540 4.454 4.305 4.582 . 0 0 "[ . 1]" 1
88 1 4 DG H1 1 10 DG H1 4.270 3.420 5.120 4.319 4.233 4.417 . 0 0 "[ . 1]" 1
89 1 10 DG H1 1 18 DG H1 4.500 3.610 5.390 4.571 4.528 4.601 . 0 0 "[ . 1]" 1
90 1 18 DG H1 1 22 DG H1 4.500 3.670 5.330 4.286 4.151 4.469 . 0 0 "[ . 1]" 1
91 1 4 DG H1 1 22 DG H1 4.120 3.300 4.940 4.457 4.342 4.530 . 0 0 "[ . 1]" 1
92 1 5 DG H1 1 11 DG H1 4.330 3.460 5.200 4.437 4.374 4.478 . 0 0 "[ . 1]" 1
93 1 11 DG H1 1 17 DG H1 4.580 3.670 5.490 4.488 4.475 4.512 . 0 0 "[ . 1]" 1
94 1 17 DG H1 1 23 DG H1 4.500 3.600 5.400 4.511 4.488 4.533 . 0 0 "[ . 1]" 1
95 1 5 DG H1 1 23 DG H1 4.370 3.530 5.210 4.517 4.489 4.561 . 0 0 "[ . 1]" 1
96 1 6 DG H1 1 12 DG H1 4.600 3.710 5.490 4.637 4.619 4.657 . 0 0 "[ . 1]" 1
97 1 12 DG H1 1 16 DG H1 4.700 3.950 5.450 4.449 4.397 4.486 . 0 0 "[ . 1]" 1
98 1 16 DG H1 1 24 DG H1 4.510 3.620 5.400 4.550 4.513 4.575 . 0 0 "[ . 1]" 1
99 1 6 DG H1 1 24 DG H1 4.550 3.740 5.360 4.439 4.355 4.510 . 0 0 "[ . 1]" 1
100 1 4 DG H1 1 22 DG H8 5.230 4.640 5.820 5.022 4.734 5.250 . 0 0 "[ . 1]" 1
101 1 18 DG H8 1 22 DG H1 5.230 4.690 5.770 5.615 5.456 5.768 . 0 0 "[ . 1]" 1
102 1 10 DG H8 1 18 DG H1 5.220 4.680 5.760 4.741 4.652 4.918 0.028 4 0 "[ . 1]" 1
103 1 4 DG H8 1 10 DG H1 5.170 4.630 5.710 5.362 5.193 5.503 . 0 0 "[ . 1]" 1
104 1 5 DG H1 1 11 DG H8 5.000 4.500 5.500 5.111 5.005 5.260 . 0 0 "[ . 1]" 1
105 1 11 DG H1 1 17 DG H8 4.950 4.450 5.450 5.418 5.367 5.458 0.008 2 0 "[ . 1]" 1
106 1 17 DG H1 1 23 DG H8 4.800 4.360 5.240 5.111 5.031 5.212 . 0 0 "[ . 1]" 1
107 1 5 DG H8 1 23 DG H1 4.870 4.380 5.360 5.053 4.830 5.208 . 0 0 "[ . 1]" 1
108 1 6 DG H1 1 12 DG H8 4.830 4.350 5.310 4.416 4.325 4.482 0.025 2 0 "[ . 1]" 1
109 1 12 DG H1 1 16 DG H8 4.800 4.360 5.240 5.251 5.206 5.273 0.033 9 0 "[ . 1]" 1
110 1 16 DG H1 1 24 DG H8 4.400 4.010 4.790 4.545 4.443 4.635 . 0 0 "[ . 1]" 1
111 1 6 DG H8 1 24 DG H1 5.200 4.730 5.670 5.434 5.269 5.595 . 0 0 "[ . 1]" 1
112 1 4 DG H1' 1 5 DG H4' 3.220 2.580 3.860 3.280 2.880 3.684 . 0 0 "[ . 1]" 1
113 1 4 DG H1' 1 5 DG H5' 3.800 3.040 4.560 4.405 4.051 4.588 0.028 4 0 "[ . 1]" 1
114 1 4 DG H1' 1 5 DG H5'' 4.200 3.360 5.040 3.990 3.492 4.456 . 0 0 "[ . 1]" 1
115 1 4 DG H1' 1 5 DG H8 3.500 2.800 4.200 4.131 3.932 4.223 0.023 4 0 "[ . 1]" 1
116 1 4 DG H2' 1 5 DG H8 3.740 2.990 4.490 4.169 3.828 4.495 0.005 1 0 "[ . 1]" 1
117 1 4 DG H2'' 1 5 DG H8 3.000 2.400 3.600 3.201 3.017 3.434 . 0 0 "[ . 1]" 1
118 1 4 DG H4' 1 5 DG H8 5.920 4.880 6.960 6.939 6.814 6.980 0.020 1 0 "[ . 1]" 1
119 1 4 DG H8 1 5 DG H1' 3.500 2.800 4.200 3.611 3.359 3.777 . 0 0 "[ . 1]" 1
120 1 5 DG H1' 1 6 DG H8 4.900 3.920 5.880 4.617 4.424 4.750 . 0 0 "[ . 1]" 1
121 1 4 DG H8 1 5 DG H2' 5.210 4.210 6.210 6.211 6.178 6.248 0.038 8 0 "[ . 1]" 1
122 1 5 DG H2' 1 6 DG H8 3.400 2.720 4.080 2.658 2.641 2.676 0.079 2 0 "[ . 1]" 1
123 1 4 DG H8 1 5 DG H2'' 5.010 4.010 6.010 5.844 5.587 6.030 0.020 4 0 "[ . 1]" 1
124 1 5 DG H2'' 1 6 DG H8 3.300 2.640 3.960 2.837 2.683 2.977 . 0 0 "[ . 1]" 1
125 1 4 DG H8 1 5 DG H3' 5.680 4.550 6.810 6.800 6.713 6.892 0.082 9 0 "[ . 1]" 1
126 1 5 DG H3' 1 6 DG H8 4.790 3.810 5.770 4.288 4.043 4.450 . 0 0 "[ . 1]" 1
127 1 4 DG H8 1 5 DG H4' 4.700 3.760 5.640 4.834 4.708 5.007 . 0 0 "[ . 1]" 1
128 1 5 DG H4' 1 6 DG H8 6.800 5.440 8.160 6.257 6.126 6.376 . 0 0 "[ . 1]" 1
129 1 4 DG H8 1 5 DG H5' 6.000 4.800 7.200 6.656 6.480 7.004 . 0 0 "[ . 1]" 1
130 1 4 DG H8 1 5 DG H5'' 5.460 4.410 6.510 6.103 5.855 6.543 0.033 6 0 "[ . 1]" 1
131 1 10 DG H1' 1 11 DG H8 3.900 3.120 4.680 4.182 3.955 4.446 . 0 0 "[ . 1]" 1
132 1 10 DG H2' 1 11 DG H8 3.000 2.400 3.600 3.231 2.899 3.448 . 0 0 "[ . 1]" 1
133 1 10 DG H2'' 1 11 DG H8 3.000 2.400 3.600 2.679 2.606 2.753 . 0 0 "[ . 1]" 1
134 1 10 DG H3' 1 11 DG H8 4.800 3.840 5.760 4.958 4.570 5.193 . 0 0 "[ . 1]" 1
135 1 10 DG H4' 1 11 DG H8 5.610 4.610 6.610 6.510 6.381 6.596 . 0 0 "[ . 1]" 1
136 1 11 DG H1' 1 12 DG H8 3.460 2.850 4.070 4.072 3.935 4.105 0.035 6 0 "[ . 1]" 1
137 1 10 DG H8 1 11 DG H1' 3.570 2.820 4.320 3.567 3.498 3.685 . 0 0 "[ . 1]" 1
138 1 11 DG H2' 1 12 DG H8 2.630 2.100 3.160 2.323 2.305 2.338 . 0 0 "[ . 1]" 1
139 1 11 DG H2'' 1 12 DG H8 2.610 2.090 3.130 2.597 2.527 2.680 . 0 0 "[ . 1]" 1
140 1 10 DG H8 1 11 DG H3' 4.800 3.840 5.760 5.921 5.909 5.933 0.173 8 0 "[ . 1]" 1
141 1 11 DG H3' 1 12 DG H8 4.340 3.470 5.210 4.293 4.245 4.359 . 0 0 "[ . 1]" 1
142 1 11 DG H4' 1 12 DG H8 5.250 4.200 6.300 5.893 5.843 5.936 . 0 0 "[ . 1]" 1
143 1 16 DG H1' 1 17 DG H8 6.000 4.800 7.200 6.027 5.900 6.143 . 0 0 "[ . 1]" 1
144 1 16 DG H2' 1 17 DG H8 7.600 6.080 9.120 8.409 8.321 8.552 . 0 0 "[ . 1]" 1
145 1 16 DG H2'' 1 17 DG H8 7.000 5.600 8.400 7.817 7.599 8.009 . 0 0 "[ . 1]" 1
146 1 16 DG H8 1 17 DG H1' 4.570 3.660 5.480 3.892 3.658 4.270 0.002 4 0 "[ . 1]" 1
147 1 17 DG H1' 1 18 DG H8 3.800 3.040 4.560 4.490 4.454 4.537 . 0 0 "[ . 1]" 1
148 1 17 DG H2' 1 18 DG H8 2.460 . 2.920 2.428 2.376 2.552 . 0 0 "[ . 1]" 1
149 1 17 DG H2' 1 18 DG H1' 5.930 4.930 6.930 5.245 5.044 5.419 . 0 0 "[ . 1]" 1
150 1 17 DG H2'' 1 18 DG H1' 5.000 4.000 6.000 4.258 3.886 4.445 0.114 9 0 "[ . 1]" 1
151 1 17 DG H2'' 1 18 DG H8 2.000 . 2.400 2.533 2.500 2.551 0.151 10 0 "[ . 1]" 1
152 1 16 DG H1' 1 17 DG H3' 4.260 3.390 5.130 5.080 4.981 5.147 0.017 9 0 "[ . 1]" 1
153 1 16 DG H8 1 17 DG H3' 5.460 4.320 6.600 6.509 6.365 6.627 0.027 9 0 "[ . 1]" 1
154 1 17 DG H3' 1 18 DG H8 4.360 3.490 5.230 4.019 3.932 4.175 . 0 0 "[ . 1]" 1
155 1 16 DG H8 1 17 DG H4' 4.840 4.070 5.610 4.892 4.682 5.018 . 0 0 "[ . 1]" 1
156 1 16 DG H8 1 17 DG H5' 6.000 4.800 7.200 6.240 6.167 6.344 . 0 0 "[ . 1]" 1
157 1 16 DG H1' 1 17 DG H5'' 2.900 2.320 3.480 3.116 2.899 3.314 . 0 0 "[ . 1]" 1
158 1 16 DG H8 1 17 DG H5'' 4.300 3.440 5.160 5.227 5.194 5.282 0.122 8 0 "[ . 1]" 1
159 1 17 DG H8 1 18 DG H1' 3.660 2.940 4.390 3.363 2.933 3.615 0.007 9 0 "[ . 1]" 1
160 1 18 DG H1' 1 19 DT H6 4.510 3.610 5.410 5.218 4.853 5.411 0.001 5 0 "[ . 1]" 1
161 1 17 DG H8 1 18 DG H2' 5.130 4.110 6.150 5.657 5.523 5.692 . 0 0 "[ . 1]" 1
162 1 17 DG H8 1 18 DG H2'' 5.510 4.420 6.600 5.593 5.214 5.789 . 0 0 "[ . 1]" 1
163 1 17 DG H8 1 18 DG H3' 5.420 4.370 6.470 6.525 6.495 6.545 0.075 9 0 "[ . 1]" 1
164 1 18 DG H3' 1 19 DT H6 5.000 4.000 6.000 4.658 4.089 4.823 . 0 0 "[ . 1]" 1
165 1 17 DG H8 1 18 DG H4' 4.230 3.370 5.090 5.079 4.992 5.118 0.028 5 0 "[ . 1]" 1
166 1 22 DG H1' 1 23 DG H8 3.200 2.560 3.840 3.873 3.857 3.902 0.062 8 0 "[ . 1]" 1
167 1 22 DG H2' 1 23 DG H8 2.620 2.100 3.140 3.160 3.143 3.183 0.043 10 0 "[ . 1]" 1
168 1 22 DG H2'' 1 23 DG H8 2.100 . 2.510 2.440 2.415 2.479 . 0 0 "[ . 1]" 1
169 1 22 DG H3' 1 23 DG H8 4.080 3.260 4.900 4.822 4.774 4.890 . 0 0 "[ . 1]" 1
170 1 22 DG H4' 1 23 DG H8 5.640 4.550 6.730 6.307 6.266 6.323 . 0 0 "[ . 1]" 1
171 1 22 DG H8 1 23 DG H1' 3.230 2.600 3.860 3.479 3.381 3.529 . 0 0 "[ . 1]" 1
172 1 23 DG H1' 1 24 DG H8 3.140 2.510 3.770 3.799 3.781 3.820 0.050 8 0 "[ . 1]" 1
173 1 22 DG H8 1 23 DG H2' 4.950 3.960 5.500 5.540 5.525 5.563 0.063 9 0 "[ . 1]" 1
174 1 23 DG H2' 1 24 DG H8 2.600 2.080 3.120 2.676 2.612 2.776 . 0 0 "[ . 1]" 1
175 1 22 DG H8 1 23 DG H2'' 5.180 4.140 6.220 5.620 5.558 5.653 . 0 0 "[ . 1]" 1
176 1 23 DG H2'' 1 24 DG H8 2.600 2.180 3.020 2.657 2.608 2.701 . 0 0 "[ . 1]" 1
177 1 23 DG H3' 1 24 DG H8 5.260 4.210 6.310 4.737 4.683 4.788 . 0 0 "[ . 1]" 1
178 1 22 DG H1' 1 23 DG H4' 3.330 2.670 3.990 3.833 3.716 3.889 . 0 0 "[ . 1]" 1
179 1 22 DG H8 1 23 DG H4' 3.840 3.070 4.610 4.646 4.616 4.668 0.058 10 0 "[ . 1]" 1
180 1 23 DG H4' 1 24 DG H8 5.660 4.540 6.780 6.162 6.129 6.207 . 0 0 "[ . 1]" 1
181 1 22 DG H8 1 23 DG H5' 5.000 4.000 6.000 5.985 5.950 6.035 0.035 6 0 "[ . 1]" 1
182 1 1 DA H1' 1 1 DA H8 2.670 2.140 3.200 2.690 2.671 2.738 . 0 0 "[ . 1]" 1
183 1 1 DA H2' 1 1 DA H8 4.300 3.440 5.160 3.600 3.534 3.707 . 0 0 "[ . 1]" 1
184 1 1 DA H2'' 1 1 DA H8 4.000 3.200 4.800 3.775 3.564 3.937 . 0 0 "[ . 1]" 1
185 1 1 DA H3' 1 1 DA H8 5.500 4.400 6.600 5.591 5.466 5.710 . 0 0 "[ . 1]" 1
186 1 1 DA H4' 1 1 DA H8 5.530 4.420 6.640 5.887 5.842 5.956 . 0 0 "[ . 1]" 1
187 1 2 DA H1' 1 2 DA H8 3.800 3.040 4.560 3.853 3.813 3.887 . 0 0 "[ . 1]" 1
188 1 2 DA H2' 1 2 DA H8 3.000 2.400 3.600 3.148 2.967 3.330 . 0 0 "[ . 1]" 1
189 1 2 DA H2'' 1 2 DA H8 3.800 3.040 4.560 4.497 4.390 4.602 0.042 8 0 "[ . 1]" 1
190 1 2 DA H3' 1 2 DA H8 4.000 3.200 4.800 4.122 3.854 4.393 . 0 0 "[ . 1]" 1
191 1 2 DA H4' 1 2 DA H8 4.990 3.990 5.990 4.632 4.615 4.642 . 0 0 "[ . 1]" 1
192 1 2 DA H5' 1 2 DA H8 4.990 3.990 5.990 4.656 4.523 4.811 . 0 0 "[ . 1]" 1
193 1 2 DA H5'' 1 2 DA H8 3.500 2.800 4.200 3.000 2.823 3.215 . 0 0 "[ . 1]" 1
194 1 3 DA H1' 1 3 DA H8 3.430 2.740 4.120 3.890 3.860 3.916 . 0 0 "[ . 1]" 1
195 1 3 DA H1' 1 3 DA H2' 2.610 2.090 3.130 2.960 2.933 2.982 . 0 0 "[ . 1]" 1
196 1 3 DA H2' 1 3 DA H8 3.400 2.720 4.080 2.969 2.738 3.220 . 0 0 "[ . 1]" 1
197 1 3 DA H1' 1 3 DA H2'' 2.350 . 2.820 2.282 2.275 2.291 . 0 0 "[ . 1]" 1
198 1 3 DA H2'' 1 3 DA H8 4.000 3.200 4.800 4.386 4.241 4.530 . 0 0 "[ . 1]" 1
199 1 3 DA H1' 1 3 DA H3' 3.800 3.040 4.560 4.015 3.991 4.042 . 0 0 "[ . 1]" 1
200 1 3 DA H3' 1 3 DA H8 3.490 2.790 4.190 3.804 3.624 3.971 . 0 0 "[ . 1]" 1
201 1 3 DA H1' 1 3 DA H4' 3.930 3.140 4.720 3.242 3.110 3.382 0.030 5 0 "[ . 1]" 1
202 1 3 DA H4' 1 3 DA H8 4.700 3.760 5.640 4.675 4.504 4.830 . 0 0 "[ . 1]" 1
203 1 8 DT H1' 1 8 DT H6 3.920 3.140 4.700 3.517 3.490 3.562 . 0 0 "[ . 1]" 1
204 1 8 DT H3' 1 8 DT H6 5.000 4.000 6.000 3.930 3.657 4.424 0.343 7 0 "[ . 1]" 1
205 1 8 DT H4' 1 8 DT H6 4.300 3.440 5.160 4.088 4.063 4.122 . 0 0 "[ . 1]" 1
206 1 9 DA H1' 1 9 DA H8 3.620 2.900 4.340 3.633 3.565 3.683 . 0 0 "[ . 1]" 1
207 1 9 DA H2' 1 9 DA H8 4.000 3.200 4.800 3.871 3.768 3.985 . 0 0 "[ . 1]" 1
208 1 9 DA H1' 1 9 DA H2'' 2.200 . 2.640 2.305 2.289 2.315 . 0 0 "[ . 1]" 1
209 1 9 DA H2'' 1 9 DA H8 4.800 3.840 5.760 4.868 4.827 4.902 . 0 0 "[ . 1]" 1
210 1 9 DA H1' 1 9 DA H3' 4.000 3.200 4.800 4.004 3.966 4.038 . 0 0 "[ . 1]" 1
211 1 9 DA H3' 1 9 DA H8 4.660 3.730 5.590 4.963 4.736 5.185 . 0 0 "[ . 1]" 1
212 1 9 DA H1' 1 9 DA H4' 3.650 2.920 4.380 3.408 3.287 3.451 . 0 0 "[ . 1]" 1
213 1 9 DA H4' 1 9 DA H8 4.300 3.440 5.160 4.529 4.487 4.608 . 0 0 "[ . 1]" 1
214 1 19 DT H1' 1 19 DT H6 3.520 2.820 4.220 3.696 3.652 3.737 . 0 0 "[ . 1]" 1
215 1 19 DT H2' 1 19 DT H6 3.500 2.800 4.200 3.275 3.108 3.459 . 0 0 "[ . 1]" 1
216 1 19 DT H2'' 1 19 DT H6 5.000 4.000 6.000 4.409 4.265 4.527 . 0 0 "[ . 1]" 1
217 1 19 DT H3' 1 19 DT H6 4.700 3.760 5.640 3.342 2.818 4.072 0.942 10 4 "[ .- **+]" 1
218 1 19 DT H4' 1 19 DT H6 3.930 3.140 4.720 4.144 4.116 4.165 . 0 0 "[ . 1]" 1
219 1 20 DT H1' 1 20 DT H6 3.560 2.850 4.270 3.700 3.639 3.766 . 0 0 "[ . 1]" 1
220 1 20 DT H1' 1 20 DT H2' 3.540 2.830 4.250 2.992 2.970 3.000 . 0 0 "[ . 1]" 1
221 1 20 DT H2' 1 20 DT H6 3.080 2.460 3.700 3.050 2.700 3.338 . 0 0 "[ . 1]" 1
222 1 20 DT H1' 1 20 DT H2'' 2.450 . 2.940 2.307 2.295 2.314 . 0 0 "[ . 1]" 1
223 1 20 DT H2'' 1 20 DT H6 4.400 3.520 5.280 4.362 4.146 4.524 . 0 0 "[ . 1]" 1
224 1 20 DT H1' 1 20 DT H3' 3.400 2.720 4.080 3.978 3.965 4.022 . 0 0 "[ . 1]" 1
225 1 20 DT H3' 1 20 DT H6 3.800 3.040 4.560 4.040 3.555 4.296 . 0 0 "[ . 1]" 1
226 1 20 DT H1' 1 20 DT H4' 3.200 2.560 3.840 3.163 3.043 3.420 . 0 0 "[ . 1]" 1
227 1 20 DT H4' 1 20 DT H6 3.810 3.050 4.570 4.392 4.224 4.530 . 0 0 "[ . 1]" 1
228 1 21 DA H1' 1 21 DA H8 3.800 3.040 4.560 3.887 3.858 3.921 . 0 0 "[ . 1]" 1
229 1 21 DA H1' 1 21 DA H2' 2.800 2.240 3.360 2.951 2.927 2.985 . 0 0 "[ . 1]" 1
230 1 21 DA H2' 1 21 DA H8 2.600 2.080 3.120 2.996 2.667 3.169 0.049 4 0 "[ . 1]" 1
231 1 21 DA H1' 1 21 DA H2'' 2.500 . 3.000 2.281 2.272 2.292 . 0 0 "[ . 1]" 1
232 1 21 DA H2'' 1 21 DA H8 4.000 3.200 4.800 4.399 4.192 4.508 . 0 0 "[ . 1]" 1
233 1 21 DA H1' 1 21 DA H3' 3.730 2.980 4.480 4.042 4.016 4.054 . 0 0 "[ . 1]" 1
234 1 21 DA H3' 1 21 DA H8 3.340 2.670 4.010 3.827 3.500 4.082 0.072 6 0 "[ . 1]" 1
235 1 21 DA H1' 1 21 DA H4' 3.610 2.890 4.330 3.422 3.385 3.513 . 0 0 "[ . 1]" 1
236 1 21 DA H4' 1 21 DA H8 4.550 3.640 5.460 4.543 4.413 4.653 . 0 0 "[ . 1]" 1
237 1 21 DA Q5' 1 21 DA H8 5.000 4.000 5.880 2.582 2.536 2.662 1.464 10 10 [*****-***+] 1
238 1 13 DT H1' 1 13 DT H6 3.770 3.010 4.530 3.755 3.748 3.765 . 0 0 "[ . 1]" 1
239 1 13 DT H1' 1 13 DT Q2' . 2.410 2.860 2.265 2.263 2.267 0.147 3 0 "[ . 1]" 1
240 1 13 DT H1' 1 13 DT H3' 3.780 3.030 4.530 3.853 3.848 3.858 . 0 0 "[ . 1]" 1
241 1 13 DT H3' 1 13 DT H6 4.510 3.610 5.410 4.392 4.347 4.421 . 0 0 "[ . 1]" 1
242 1 13 DT H1' 1 13 DT H4' 3.040 2.440 3.640 2.987 2.951 3.022 . 0 0 "[ . 1]" 1
243 1 13 DT H4' 1 13 DT H6 4.710 3.770 5.650 4.626 4.607 4.643 . 0 0 "[ . 1]" 1
244 1 14 DT H1' 1 14 DT H6 2.500 2.030 2.970 2.571 2.546 2.636 . 0 0 "[ . 1]" 1
245 1 14 DT H1' 1 14 DT Q2' . 2.440 2.860 2.230 2.225 2.248 0.215 5 0 "[ . 1]" 1
246 1 14 DT Q2' 1 14 DT H6 . 3.000 3.680 2.805 2.667 2.863 0.333 4 0 "[ . 1]" 1
247 1 14 DT H1' 1 14 DT H3' 3.860 3.120 4.600 3.964 3.916 3.979 . 0 0 "[ . 1]" 1
248 1 14 DT H3' 1 14 DT H6 5.520 4.420 6.620 5.307 5.187 5.348 . 0 0 "[ . 1]" 1
249 1 14 DT H4' 1 14 DT H6 5.460 4.360 6.560 5.643 5.438 5.686 . 0 0 "[ . 1]" 1
250 1 15 DA H1' 1 15 DA H8 3.880 3.140 4.620 3.910 3.886 3.928 . 0 0 "[ . 1]" 1
251 1 15 DA H1' 1 15 DA Q2' . 2.420 2.770 2.186 2.182 2.192 0.238 7 0 "[ . 1]" 1
252 1 15 DA H1' 1 15 DA H3' 3.920 3.160 4.680 3.981 3.964 3.992 . 0 0 "[ . 1]" 1
253 1 15 DA H3' 1 15 DA H8 4.260 3.410 5.110 3.371 3.069 3.624 0.341 9 0 "[ . 1]" 1
254 1 15 DA H1' 1 15 DA H4' 2.950 2.430 3.470 3.146 3.078 3.210 . 0 0 "[ . 1]" 1
255 1 15 DA H4' 1 15 DA H8 5.490 4.410 6.570 5.212 5.075 5.364 . 0 0 "[ . 1]" 1
256 1 25 DA H1' 1 25 DA H8 3.830 3.070 4.590 3.888 3.873 3.900 . 0 0 "[ . 1]" 1
257 1 25 DA H1' 1 25 DA H2' 2.990 2.450 3.530 2.836 2.828 2.865 . 0 0 "[ . 1]" 1
258 1 25 DA H1' 1 25 DA H2'' 2.320 . 2.780 2.272 2.266 2.278 . 0 0 "[ . 1]" 1
259 1 25 DA H2' 1 25 DA H8 2.600 2.080 3.120 3.103 3.028 3.167 0.047 4 0 "[ . 1]" 1
260 1 25 DA H2'' 1 25 DA H8 3.580 2.860 4.300 4.370 4.342 4.392 0.092 3 0 "[ . 1]" 1
261 1 25 DA H1' 1 25 DA H3' 4.000 3.200 4.800 3.966 3.955 3.976 . 0 0 "[ . 1]" 1
262 1 25 DA H3' 1 25 DA H8 3.000 2.400 3.600 2.849 2.786 2.936 . 0 0 "[ . 1]" 1
263 1 25 DA H1' 1 25 DA H4' 3.830 3.070 4.590 3.329 3.223 3.391 . 0 0 "[ . 1]" 1
264 1 25 DA H4' 1 25 DA H8 4.770 3.830 5.710 4.497 4.427 4.603 . 0 0 "[ . 1]" 1
265 1 26 DA H1' 1 26 DA H8 3.880 3.120 4.640 3.798 3.778 3.840 . 0 0 "[ . 1]" 1
266 1 26 DA H1' 1 26 DA H2' 3.030 2.450 3.610 2.990 2.982 3.000 . 0 0 "[ . 1]" 1
267 1 26 DA H2' 1 26 DA H8 3.540 2.840 4.240 3.469 3.386 3.518 . 0 0 "[ . 1]" 1
268 1 26 DA H1' 1 26 DA H2'' 2.350 . 2.810 2.301 2.292 2.310 . 0 0 "[ . 1]" 1
269 1 26 DA H2'' 1 26 DA H8 4.600 3.680 5.520 4.684 4.640 4.722 . 0 0 "[ . 1]" 1
270 1 26 DA H1' 1 26 DA H3' 3.840 3.080 4.600 3.956 3.939 3.975 . 0 0 "[ . 1]" 1
271 1 26 DA H3' 1 26 DA H8 4.540 3.640 5.440 4.592 4.466 4.708 . 0 0 "[ . 1]" 1
272 1 26 DA H1' 1 26 DA H4' 3.390 2.730 4.050 3.072 2.908 3.163 . 0 0 "[ . 1]" 1
273 1 26 DA H4' 1 26 DA H8 4.780 3.900 5.660 4.752 4.696 4.861 . 0 0 "[ . 1]" 1
274 1 4 DG H1' 1 4 DG H2' 3.000 2.400 3.600 3.029 3.023 3.038 . 0 0 "[ . 1]" 1
275 1 4 DG H1' 1 4 DG H2'' 2.380 . 2.860 2.332 2.325 2.338 . 0 0 "[ . 1]" 1
276 1 4 DG H1' 1 4 DG H4' 3.120 2.500 3.740 3.296 3.217 3.379 . 0 0 "[ . 1]" 1
277 1 4 DG H1' 1 4 DG H5' 4.600 3.680 5.520 5.014 4.994 5.053 . 0 0 "[ . 1]" 1
278 1 4 DG H1' 1 4 DG H5'' 5.000 4.000 6.000 4.434 4.402 4.475 . 0 0 "[ . 1]" 1
279 1 4 DG H1' 1 4 DG H8 2.560 2.050 3.070 2.772 2.656 2.905 . 0 0 "[ . 1]" 1
280 1 4 DG H2' 1 4 DG H8 4.500 3.600 5.400 4.672 4.653 4.688 . 0 0 "[ . 1]" 1
281 1 4 DG H2' 1 4 DG H2'' 1.820 . 2.180 1.814 1.811 1.819 . 0 0 "[ . 1]" 1
282 1 4 DG H2'' 1 4 DG H8 4.230 3.380 5.080 4.679 4.506 4.826 . 0 0 "[ . 1]" 1
283 1 4 DG H3' 1 4 DG H8 6.000 4.800 7.200 6.125 6.061 6.168 . 0 0 "[ . 1]" 1
284 1 4 DG H4' 1 4 DG H8 5.300 4.240 6.360 5.121 5.014 5.256 . 0 0 "[ . 1]" 1
285 1 4 DG H5' 1 4 DG H8 6.050 4.840 7.260 6.565 6.328 6.820 . 0 0 "[ . 1]" 1
286 1 4 DG H5'' 1 4 DG H8 5.000 4.000 6.000 5.495 5.150 5.770 . 0 0 "[ . 1]" 1
287 1 5 DG H1' 1 5 DG H8 3.570 2.860 4.280 3.842 3.799 3.869 . 0 0 "[ . 1]" 1
288 1 5 DG H1' 1 5 DG H2' 3.000 2.400 3.600 2.961 2.929 2.991 . 0 0 "[ . 1]" 1
289 1 5 DG H2' 1 5 DG H8 3.100 2.480 3.720 3.178 3.025 3.335 . 0 0 "[ . 1]" 1
290 1 5 DG H1' 1 5 DG H2'' 2.300 . 2.760 2.290 2.279 2.306 . 0 0 "[ . 1]" 1
291 1 5 DG H2'' 1 5 DG H8 4.000 3.200 4.800 4.507 4.424 4.594 . 0 0 "[ . 1]" 1
292 1 5 DG H1' 1 5 DG H3' 4.000 3.200 4.800 4.025 4.003 4.045 . 0 0 "[ . 1]" 1
293 1 5 DG H3' 1 5 DG H8 3.800 3.040 4.560 4.028 3.732 4.407 . 0 0 "[ . 1]" 1
294 1 5 DG H1' 1 5 DG H4' 3.200 2.560 3.840 3.349 3.269 3.475 . 0 0 "[ . 1]" 1
295 1 5 DG H4' 1 5 DG H8 4.800 3.840 5.760 4.529 4.387 4.642 . 0 0 "[ . 1]" 1
296 1 5 DG H1' 1 5 DG H5' 4.660 3.730 5.590 5.132 5.093 5.169 . 0 0 "[ . 1]" 1
297 1 5 DG H5' 1 5 DG H8 4.340 3.470 5.210 4.435 4.256 4.597 . 0 0 "[ . 1]" 1
298 1 5 DG H5'' 1 5 DG H8 3.000 2.400 3.600 2.767 2.600 2.920 . 0 0 "[ . 1]" 1
299 1 6 DG H1' 1 6 DG H8 4.000 3.200 4.800 3.834 3.804 3.861 . 0 0 "[ . 1]" 1
300 1 6 DG H1' 1 6 DG H2' 2.930 2.340 3.520 2.990 2.983 3.013 . 0 0 "[ . 1]" 1
301 1 6 DG H2' 1 6 DG H8 3.700 2.960 4.440 3.225 3.082 3.355 . 0 0 "[ . 1]" 1
302 1 6 DG H1' 1 6 DG H2'' 2.160 . 2.590 2.305 2.303 2.316 . 0 0 "[ . 1]" 1
303 1 6 DG H2'' 1 6 DG H8 4.000 3.200 4.800 4.544 4.447 4.619 . 0 0 "[ . 1]" 1
304 1 6 DG H1' 1 6 DG H3' 4.000 3.200 4.800 4.008 3.964 4.025 . 0 0 "[ . 1]" 1
305 1 6 DG H3' 1 6 DG H4' 2.830 2.260 3.400 2.818 2.794 2.840 . 0 0 "[ . 1]" 1
306 1 6 DG H3' 1 6 DG H5' 2.700 2.160 3.240 2.544 2.511 2.605 . 0 0 "[ . 1]" 1
307 1 6 DG H3' 1 6 DG H5'' 2.510 2.010 3.010 2.573 2.507 2.662 . 0 0 "[ . 1]" 1
308 1 6 DG H3' 1 6 DG H8 4.200 3.360 5.040 4.385 4.290 4.493 . 0 0 "[ . 1]" 1
309 1 6 DG H1' 1 6 DG H4' 3.300 2.640 3.960 3.507 3.428 3.587 . 0 0 "[ . 1]" 1
310 1 6 DG H4' 1 6 DG H8 5.000 3.960 6.040 4.422 4.318 4.511 . 0 0 "[ . 1]" 1
311 1 6 DG H1' 1 6 DG H5' 4.700 3.760 5.640 5.126 5.074 5.153 . 0 0 "[ . 1]" 1
312 1 6 DG H5' 1 6 DG H8 4.900 3.920 5.880 4.252 4.132 4.365 . 0 0 "[ . 1]" 1
313 1 6 DG H1' 1 6 DG H5'' 5.000 4.000 6.000 4.439 4.386 4.478 . 0 0 "[ . 1]" 1
314 1 6 DG H5'' 1 6 DG H8 3.000 2.400 3.600 2.628 2.583 2.679 . 0 0 "[ . 1]" 1
315 1 10 DG H1' 1 10 DG H8 2.500 . 3.000 2.553 2.542 2.564 . 0 0 "[ . 1]" 1
316 1 10 DG H1' 1 10 DG H2' 3.080 2.460 3.700 3.026 3.024 3.028 . 0 0 "[ . 1]" 1
317 1 10 DG H2' 1 10 DG H8 4.500 3.600 5.400 4.383 4.165 4.518 . 0 0 "[ . 1]" 1
318 1 10 DG H1' 1 10 DG H2'' 2.270 . 2.730 2.328 2.323 2.332 . 0 0 "[ . 1]" 1
319 1 10 DG H2'' 1 10 DG H8 4.000 3.200 4.800 4.015 3.678 4.247 . 0 0 "[ . 1]" 1
320 1 10 DG H1' 1 10 DG H3' 3.900 3.120 4.680 3.903 3.891 3.914 . 0 0 "[ . 1]" 1
321 1 10 DG H3' 1 10 DG H8 5.880 4.690 7.070 6.056 5.910 6.131 . 0 0 "[ . 1]" 1
322 1 10 DG H1' 1 10 DG H4' 3.130 2.500 3.760 3.264 3.159 3.350 . 0 0 "[ . 1]" 1
323 1 10 DG H4' 1 10 DG H8 5.550 4.440 6.660 5.606 5.549 5.665 . 0 0 "[ . 1]" 1
324 1 11 DG H1' 1 11 DG H8 3.900 3.120 4.680 3.919 3.916 3.923 . 0 0 "[ . 1]" 1
325 1 11 DG H1' 1 11 DG H2' 2.970 2.370 3.570 2.964 2.959 2.971 . 0 0 "[ . 1]" 1
326 1 11 DG H2' 1 11 DG H8 2.600 2.080 3.120 2.688 2.660 2.700 . 0 0 "[ . 1]" 1
327 1 11 DG H1' 1 11 DG H2'' 2.400 . 2.880 2.287 2.285 2.289 . 0 0 "[ . 1]" 1
328 1 11 DG H2'' 1 11 DG H8 4.100 3.280 4.920 4.212 4.192 4.221 . 0 0 "[ . 1]" 1
329 1 11 DG H1' 1 11 DG H3' 3.900 3.120 4.680 3.987 3.978 3.997 . 0 0 "[ . 1]" 1
330 1 11 DG H3' 1 11 DG H8 3.700 2.960 4.440 3.594 3.524 3.659 . 0 0 "[ . 1]" 1
331 1 11 DG H1' 1 11 DG H4' 2.900 2.320 3.480 3.129 3.083 3.188 . 0 0 "[ . 1]" 1
332 1 11 DG H4' 1 11 DG H8 4.900 3.920 5.880 4.816 4.786 4.848 . 0 0 "[ . 1]" 1
333 1 11 DG H1' 1 11 DG H5'' 4.500 3.600 5.400 4.752 4.713 4.796 . 0 0 "[ . 1]" 1
334 1 11 DG H1' 1 11 DG H5' 4.990 3.990 5.990 5.086 5.063 5.106 . 0 0 "[ . 1]" 1
335 1 11 DG H5'' 1 11 DG H8 4.700 3.760 5.640 3.467 3.303 3.591 0.457 5 0 "[ . 1]" 1
336 1 11 DG H5' 1 11 DG H8 5.330 4.260 6.400 5.026 4.900 5.116 . 0 0 "[ . 1]" 1
337 1 12 DG H1' 1 12 DG H8 3.710 2.970 4.450 3.814 3.799 3.826 . 0 0 "[ . 1]" 1
338 1 12 DG H1' 1 12 DG H2' 2.800 2.240 3.360 2.797 2.780 2.811 . 0 0 "[ . 1]" 1
339 1 12 DG H2' 1 12 DG H8 3.200 2.600 3.800 3.628 3.583 3.659 . 0 0 "[ . 1]" 1
340 1 12 DG H1' 1 12 DG H2'' 2.250 . 2.700 2.324 2.315 2.331 . 0 0 "[ . 1]" 1
341 1 12 DG H2'' 1 12 DG H8 4.500 3.600 5.400 4.592 4.570 4.634 . 0 0 "[ . 1]" 1
342 1 12 DG H1' 1 12 DG H3' 3.900 3.120 4.680 3.903 3.890 3.922 . 0 0 "[ . 1]" 1
343 1 12 DG H3' 1 12 DG H8 2.850 2.270 3.430 2.878 2.786 3.035 . 0 0 "[ . 1]" 1
344 1 12 DG H1' 1 12 DG H4' 3.420 2.740 4.100 3.385 3.348 3.413 . 0 0 "[ . 1]" 1
345 1 12 DG H4' 1 12 DG H8 4.400 3.520 5.280 4.360 4.319 4.399 . 0 0 "[ . 1]" 1
346 1 16 DG H1' 1 16 DG H8 2.500 . 3.000 2.851 2.767 2.944 . 0 0 "[ . 1]" 1
347 1 16 DG H1' 1 16 DG H2' 3.000 2.400 3.600 3.023 3.019 3.029 . 0 0 "[ . 1]" 1
348 1 16 DG H2' 1 16 DG H8 4.800 3.840 5.760 4.674 4.639 4.700 . 0 0 "[ . 1]" 1
349 1 16 DG H1' 1 16 DG H2'' 2.310 . 2.770 2.325 2.313 2.342 . 0 0 "[ . 1]" 1
350 1 16 DG H2'' 1 16 DG H8 4.000 3.200 4.800 4.795 4.714 4.872 0.072 5 0 "[ . 1]" 1
351 1 16 DG H1' 1 16 DG H3' 3.870 3.100 4.640 3.931 3.900 3.947 . 0 0 "[ . 1]" 1
352 1 16 DG H3' 1 16 DG H8 6.000 4.800 7.200 6.043 5.982 6.112 . 0 0 "[ . 1]" 1
353 1 16 DG H1' 1 16 DG H4' 3.150 2.520 3.780 3.224 2.910 3.383 . 0 0 "[ . 1]" 1
354 1 16 DG H4' 1 16 DG H8 5.420 4.340 6.500 5.018 4.869 5.136 . 0 0 "[ . 1]" 1
355 1 16 DG H1' 1 16 DG H5' 4.940 3.950 5.930 4.619 4.530 4.660 . 0 0 "[ . 1]" 1
356 1 16 DG H1' 1 16 DG H5'' 4.200 3.360 5.040 5.071 4.968 5.106 0.066 10 0 "[ . 1]" 1
357 1 17 DG H1' 1 17 DG H8 2.560 2.050 3.070 2.664 2.607 2.687 . 0 0 "[ . 1]" 1
358 1 17 DG H1' 1 17 DG H2' 3.000 2.400 3.600 3.022 3.019 3.031 . 0 0 "[ . 1]" 1
359 1 17 DG H2' 1 17 DG H8 4.400 3.520 5.280 3.975 3.905 4.148 . 0 0 "[ . 1]" 1
360 1 17 DG H1' 1 17 DG H2'' 2.340 . 2.820 2.341 2.335 2.352 . 0 0 "[ . 1]" 1
361 1 17 DG H2'' 1 17 DG H8 4.300 3.470 5.130 3.499 3.353 3.626 0.117 4 0 "[ . 1]" 1
362 1 17 DG H1' 1 17 DG H3' 4.000 3.200 4.800 3.913 3.880 3.932 . 0 0 "[ . 1]" 1
363 1 17 DG H3' 1 17 DG H8 6.000 4.800 7.200 5.819 5.736 5.905 . 0 0 "[ . 1]" 1
364 1 17 DG H1' 1 17 DG H4' 3.350 2.680 4.020 3.199 3.066 3.317 . 0 0 "[ . 1]" 1
365 1 17 DG H4' 1 17 DG H8 5.520 4.420 6.620 5.779 5.620 5.881 . 0 0 "[ . 1]" 1
366 1 17 DG H1' 1 17 DG H5' 4.340 3.470 5.210 5.001 4.949 5.035 . 0 0 "[ . 1]" 1
367 1 17 DG H1' 1 17 DG H5'' 4.650 3.720 5.580 4.490 4.442 4.528 . 0 0 "[ . 1]" 1
368 1 17 DG H5'' 1 17 DG H8 6.000 4.800 7.200 6.202 6.045 6.361 . 0 0 "[ . 1]" 1
369 1 18 DG H1' 1 18 DG H8 3.890 3.110 4.670 3.846 3.810 3.858 . 0 0 "[ . 1]" 1
370 1 18 DG H1' 1 18 DG H2' 2.950 2.360 3.540 2.952 2.932 2.974 . 0 0 "[ . 1]" 1
371 1 18 DG H1' 1 18 DG H2'' 2.300 . 2.760 2.282 2.277 2.291 . 0 0 "[ . 1]" 1
372 1 18 DG H2' 1 18 DG H3' 2.290 . 2.750 2.258 2.253 2.275 . 0 0 "[ . 1]" 1
373 1 18 DG H2'' 1 18 DG H3' 2.900 2.320 3.480 2.856 2.793 2.888 . 0 0 "[ . 1]" 1
374 1 18 DG H2' 1 18 DG H8 2.640 2.110 3.170 3.237 3.115 3.410 0.240 9 0 "[ . 1]" 1
375 1 18 DG H2'' 1 18 DG H8 4.110 3.290 4.930 4.544 4.477 4.647 . 0 0 "[ . 1]" 1
376 1 18 DG H1' 1 18 DG H3' 3.920 3.140 4.700 4.026 4.016 4.047 . 0 0 "[ . 1]" 1
377 1 18 DG H3' 1 18 DG H8 3.580 2.880 4.280 3.957 3.822 4.322 0.042 9 0 "[ . 1]" 1
378 1 18 DG H1' 1 18 DG H4' 2.980 2.390 3.570 3.333 3.281 3.551 . 0 0 "[ . 1]" 1
379 1 18 DG H4' 1 18 DG H8 4.900 3.900 5.900 4.538 4.347 4.588 . 0 0 "[ . 1]" 1
380 1 18 DG H1' 1 18 DG H5' 4.580 3.660 5.500 5.135 5.113 5.182 . 0 0 "[ . 1]" 1
381 1 18 DG H5' 1 18 DG H8 4.730 3.780 5.680 4.450 4.181 4.535 . 0 0 "[ . 1]" 1
382 1 18 DG H1' 1 18 DG H5'' 5.020 3.980 6.060 4.572 4.494 4.596 . 0 0 "[ . 1]" 1
383 1 18 DG H5'' 1 18 DG H8 4.000 3.200 4.800 2.782 2.632 2.859 0.568 9 1 "[ . +1]" 1
384 1 22 DG H1' 1 22 DG H8 2.530 2.020 3.040 2.585 2.580 2.596 . 0 0 "[ . 1]" 1
385 1 22 DG H1' 1 22 DG H2' 2.920 2.340 3.500 2.999 2.996 3.004 . 0 0 "[ . 1]" 1
386 1 22 DG H2' 1 22 DG H8 4.380 3.520 5.240 4.407 4.372 4.467 . 0 0 "[ . 1]" 1
387 1 22 DG H1' 1 22 DG H2'' 2.240 . 2.700 2.294 2.292 2.297 . 0 0 "[ . 1]" 1
388 1 22 DG H2'' 1 22 DG H8 4.420 3.480 5.360 4.241 4.200 4.331 . 0 0 "[ . 1]" 1
389 1 22 DG H1' 1 22 DG H3' 4.000 3.200 4.800 3.986 3.968 3.993 . 0 0 "[ . 1]" 1
390 1 22 DG H3' 1 22 DG H8 6.000 4.800 7.200 6.114 6.105 6.126 . 0 0 "[ . 1]" 1
391 1 22 DG H1' 1 22 DG H4' 3.700 3.050 4.350 3.461 3.353 3.516 . 0 0 "[ . 1]" 1
392 1 22 DG H4' 1 22 DG H8 5.560 4.440 6.680 5.711 5.624 5.771 . 0 0 "[ . 1]" 1
393 1 22 DG H1' 1 22 DG H5' 4.200 3.360 5.050 4.321 4.273 4.414 . 0 0 "[ . 1]" 1
394 1 22 DG H1' 1 22 DG H5'' 4.430 3.560 5.300 4.766 4.731 4.780 . 0 0 "[ . 1]" 1
395 1 22 DG H5'' 1 22 DG H8 5.200 4.160 6.240 6.269 6.212 6.313 0.073 8 0 "[ . 1]" 1
396 1 23 DG H1' 1 23 DG H8 3.880 3.090 4.670 3.914 3.909 3.921 . 0 0 "[ . 1]" 1
397 1 23 DG H1' 1 23 DG H2' 2.970 2.390 3.550 2.973 2.965 2.979 . 0 0 "[ . 1]" 1
398 1 23 DG H2' 1 23 DG H8 3.400 2.720 4.080 2.678 2.640 2.719 0.080 2 0 "[ . 1]" 1
399 1 23 DG H1' 1 23 DG H2'' 2.260 . 2.710 2.280 2.279 2.282 . 0 0 "[ . 1]" 1
400 1 23 DG H2'' 1 23 DG H8 3.940 3.150 4.730 4.196 4.167 4.226 . 0 0 "[ . 1]" 1
401 1 23 DG H1' 1 23 DG H3' 3.910 3.130 4.690 4.022 4.014 4.028 . 0 0 "[ . 1]" 1
402 1 23 DG H3' 1 23 DG H8 3.600 2.880 4.320 3.832 3.772 3.907 . 0 0 "[ . 1]" 1
403 1 23 DG H1' 1 23 DG H4' 2.900 2.320 3.480 3.334 3.308 3.367 . 0 0 "[ . 1]" 1
404 1 23 DG H4' 1 23 DG H8 4.500 3.600 5.400 4.718 4.688 4.753 . 0 0 "[ . 1]" 1
405 1 23 DG H1' 1 23 DG H5' 5.000 4.000 6.000 5.134 5.121 5.143 . 0 0 "[ . 1]" 1
406 1 23 DG H1' 1 23 DG H5'' 4.420 3.540 5.300 4.611 4.587 4.629 . 0 0 "[ . 1]" 1
407 1 23 DG H5'' 1 23 DG H8 3.800 3.040 4.560 2.944 2.891 2.989 0.149 2 0 "[ . 1]" 1
408 1 24 DG H1' 1 24 DG H8 3.880 3.090 4.670 3.821 3.806 3.836 . 0 0 "[ . 1]" 1
409 1 24 DG H1' 1 24 DG H2' 3.000 2.400 3.600 2.906 2.878 2.942 . 0 0 "[ . 1]" 1
410 1 24 DG H2' 1 24 DG H8 3.200 2.560 3.840 3.474 3.427 3.514 . 0 0 "[ . 1]" 1
411 1 24 DG H1' 1 24 DG H2'' 2.340 . 2.810 2.282 2.279 2.285 . 0 0 "[ . 1]" 1
412 1 24 DG H2'' 1 24 DG H8 4.600 3.680 5.520 4.649 4.627 4.681 . 0 0 "[ . 1]" 1
413 1 24 DG H1' 1 24 DG H3' 3.800 3.040 4.560 3.983 3.952 4.013 . 0 0 "[ . 1]" 1
414 1 24 DG H3' 1 24 DG H8 3.300 2.640 3.960 3.611 3.369 3.928 . 0 0 "[ . 1]" 1
415 1 24 DG H1' 1 24 DG H4' 3.000 2.400 3.600 3.213 3.179 3.246 . 0 0 "[ . 1]" 1
416 1 24 DG H4' 1 24 DG H8 5.100 4.080 6.120 4.581 4.560 4.605 . 0 0 "[ . 1]" 1
417 1 24 DG H1' 1 24 DG Q5' 4.540 3.920 5.450 4.335 4.309 4.353 . 0 0 "[ . 1]" 1
418 1 24 DG Q5' 1 24 DG H8 4.730 4.000 5.680 2.983 2.919 3.053 1.081 1 10 [+*-*******] 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 56
_Distance_constraint_stats_list.Viol_count 390
_Distance_constraint_stats_list.Viol_total 189.162
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0384
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0338
_Distance_constraint_stats_list.Viol_average_violations_only 0.0485
_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 4 DG 2.003 0.103 6 0 "[ . 1]"
1 5 DG 2.119 0.135 9 0 "[ . 1]"
1 6 DG 3.784 0.200 1 0 "[ . 1]"
1 10 DG 2.968 0.122 4 0 "[ . 1]"
1 11 DG 3.460 0.135 9 0 "[ . 1]"
1 12 DG 3.113 0.200 1 0 "[ . 1]"
1 13 DT 2.963 0.125 8 0 "[ . 1]"
1 14 DT 0.772 0.054 8 0 "[ . 1]"
1 16 DG 1.180 0.130 4 0 "[ . 1]"
1 17 DG 2.602 0.101 10 0 "[ . 1]"
1 18 DG 3.493 0.130 10 0 "[ . 1]"
1 22 DG 2.528 0.130 10 0 "[ . 1]"
1 23 DG 1.261 0.065 10 0 "[ . 1]"
1 24 DG 1.851 0.130 4 0 "[ . 1]"
1 25 DA 3.735 0.125 8 0 "[ . 1]"
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 13 DT N3 1 25 DA N1 3.000 2.800 3.200 3.260 3.235 3.287 0.087 5 0 "[ . 1]" 2
2 1 13 DT H3 1 25 DA N1 2.050 . 2.250 2.350 2.333 2.367 0.117 5 0 "[ . 1]" 2
3 1 13 DT O2 1 25 DA H61 2.050 . 2.250 1.809 1.756 1.835 0.094 4 0 "[ . 1]" 2
4 1 13 DT O2 1 25 DA N6 3.000 2.800 3.200 2.704 2.675 2.719 0.125 8 0 "[ . 1]" 2
5 1 14 DT N3 1 25 DA N7 3.000 2.900 3.100 3.083 2.954 3.144 0.044 1 0 "[ . 1]" 2
6 1 14 DT H3 1 25 DA N7 2.050 . 2.150 2.132 2.041 2.180 0.030 9 0 "[ . 1]" 2
7 1 14 DT O2 1 25 DA H62 2.050 . 2.150 1.922 1.896 1.942 0.054 8 0 "[ . 1]" 2
8 1 14 DT O2 1 25 DA N6 3.000 2.900 3.100 2.877 2.864 2.890 0.036 8 0 "[ . 1]" 2
9 1 4 DG N7 1 10 DG H21 1.990 . 2.090 2.134 2.097 2.164 0.074 1 0 "[ . 1]" 2
10 1 4 DG N7 1 10 DG N2 2.950 2.850 3.050 3.108 3.084 3.139 0.089 1 0 "[ . 1]" 2
11 1 4 DG O6 1 10 DG H1 1.950 . 2.050 1.911 1.849 1.985 0.001 1 0 "[ . 1]" 2
12 1 4 DG O6 1 10 DG N1 2.950 2.850 3.050 2.907 2.844 2.972 0.006 1 0 "[ . 1]" 2
13 1 4 DG H22 1 22 DG N7 1.990 . 2.090 2.097 2.022 2.151 0.061 6 0 "[ . 1]" 2
14 1 4 DG N2 1 22 DG N7 2.950 2.850 3.050 3.099 3.027 3.153 0.103 6 0 "[ . 1]" 2
15 1 4 DG H1 1 22 DG O6 1.950 . 2.050 2.045 1.949 2.111 0.061 4 0 "[ . 1]" 2
16 1 4 DG N1 1 22 DG O6 2.950 2.850 3.050 3.008 2.926 3.061 0.011 5 0 "[ . 1]" 2
17 1 18 DG N7 1 22 DG H22 1.990 . 2.090 2.172 2.123 2.220 0.130 10 0 "[ . 1]" 2
18 1 18 DG N7 1 22 DG N2 2.950 2.850 3.050 3.117 3.082 3.153 0.103 10 0 "[ . 1]" 2
19 1 18 DG O6 1 22 DG H1 1.950 . 2.050 1.919 1.835 2.062 0.015 4 0 "[ . 1]" 2
20 1 18 DG O6 1 22 DG N1 2.950 2.850 3.050 2.922 2.839 3.066 0.016 9 0 "[ . 1]" 2
21 1 10 DG N7 1 18 DG H21 1.990 . 2.090 1.850 1.815 1.882 0.075 4 0 "[ . 1]" 2
22 1 10 DG N7 1 18 DG N2 2.950 2.850 3.050 2.835 2.816 2.882 0.034 4 0 "[ . 1]" 2
23 1 10 DG O6 1 18 DG H1 1.950 . 2.050 2.142 2.110 2.172 0.122 4 0 "[ . 1]" 2
24 1 10 DG O6 1 18 DG N1 2.950 2.850 3.050 3.094 3.070 3.127 0.077 4 0 "[ . 1]" 2
25 1 5 DG H21 1 11 DG N7 1.990 . 2.090 2.140 2.107 2.182 0.092 9 0 "[ . 1]" 2
26 1 5 DG N2 1 11 DG N7 2.950 2.850 3.050 3.143 3.099 3.185 0.135 9 0 "[ . 1]" 2
27 1 5 DG H1 1 11 DG O6 1.950 . 2.050 2.034 1.972 2.065 0.015 7 0 "[ . 1]" 2
28 1 5 DG N1 1 11 DG O6 2.950 2.850 3.050 2.983 2.912 3.020 . 0 0 "[ . 1]" 2
29 1 5 DG N7 1 23 DG H22 1.990 . 2.090 1.924 1.826 2.033 0.064 10 0 "[ . 1]" 2
30 1 5 DG N7 1 23 DG N2 2.950 2.850 3.050 2.915 2.825 3.029 0.025 10 0 "[ . 1]" 2
31 1 5 DG O6 1 23 DG H1 1.950 . 2.050 2.078 2.057 2.115 0.065 10 0 "[ . 1]" 2
32 1 5 DG O6 1 23 DG N1 2.950 2.850 3.050 3.066 3.048 3.095 0.045 9 0 "[ . 1]" 2
33 1 17 DG H21 1 23 DG N7 1.990 . 2.090 2.077 2.041 2.103 0.013 9 0 "[ . 1]" 2
34 1 17 DG N2 1 23 DG N7 2.950 2.850 3.050 3.071 3.038 3.098 0.048 9 0 "[ . 1]" 2
35 1 17 DG H1 1 23 DG O6 1.950 . 2.050 2.076 2.058 2.093 0.043 5 0 "[ . 1]" 2
36 1 17 DG N1 1 23 DG O6 2.950 2.850 3.050 3.060 3.051 3.067 0.017 10 0 "[ . 1]" 2
37 1 11 DG H21 1 17 DG N7 1.990 . 2.090 2.158 2.137 2.179 0.089 10 0 "[ . 1]" 2
38 1 11 DG N2 1 17 DG N7 2.950 2.850 3.050 3.129 3.110 3.151 0.101 10 0 "[ . 1]" 2
39 1 11 DG H1 1 17 DG O6 1.950 . 2.050 2.076 2.065 2.091 0.041 4 0 "[ . 1]" 2
40 1 11 DG N1 1 17 DG O6 2.950 2.850 3.050 3.076 3.064 3.096 0.046 4 0 "[ . 1]" 2
41 1 6 DG H21 1 12 DG N7 1.990 . 2.090 1.856 1.823 1.890 0.067 7 0 "[ . 1]" 2
42 1 6 DG N2 1 12 DG N7 2.950 2.850 3.050 2.855 2.824 2.894 0.026 7 0 "[ . 1]" 2
43 1 6 DG H1 1 12 DG O6 1.950 . 2.050 2.228 2.207 2.250 0.200 1 0 "[ . 1]" 2
44 1 6 DG N1 1 12 DG O6 2.950 2.850 3.050 3.118 3.097 3.135 0.085 7 0 "[ . 1]" 2
45 1 6 DG N7 1 24 DG H21 1.990 . 2.090 2.134 2.096 2.169 0.079 10 0 "[ . 1]" 2
46 1 6 DG N7 1 24 DG N2 2.950 2.850 3.050 3.092 3.060 3.120 0.070 10 0 "[ . 1]" 2
47 1 6 DG O6 1 24 DG H1 1.950 . 2.050 2.028 1.946 2.077 0.027 4 0 "[ . 1]" 2
48 1 6 DG O6 1 24 DG N1 2.950 2.850 3.050 3.011 2.938 3.050 0.000 4 0 "[ . 1]" 2
49 1 16 DG H21 1 24 DG N7 1.990 . 2.090 1.902 1.828 2.016 0.062 4 0 "[ . 1]" 2
50 1 16 DG N2 1 24 DG N7 2.950 2.850 3.050 2.906 2.824 3.016 0.026 4 0 "[ . 1]" 2
51 1 16 DG H1 1 24 DG O6 1.950 . 2.050 2.125 2.080 2.180 0.130 4 0 "[ . 1]" 2
52 1 16 DG N1 1 24 DG O6 2.950 2.850 3.050 3.022 2.976 3.061 0.011 4 0 "[ . 1]" 2
53 1 12 DG H21 1 16 DG N7 1.990 . 2.090 2.081 2.053 2.115 0.025 4 0 "[ . 1]" 2
54 1 12 DG N2 1 16 DG N7 2.950 2.850 3.050 3.062 3.025 3.102 0.052 4 0 "[ . 1]" 2
55 1 12 DG H1 1 16 DG O6 1.950 . 2.050 2.025 1.974 2.059 0.009 8 0 "[ . 1]" 2
56 1 12 DG N1 1 16 DG O6 2.950 2.850 3.050 2.991 2.942 3.045 . 0 0 "[ . 1]" 2
stop_
save_
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