NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586994 |
2may   |
19381 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2may
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 517
_Distance_constraint_stats_list.Viol_count 568
_Distance_constraint_stats_list.Viol_total 239.294
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 DT 0.446 0.061 8 0 "[ . 1]"
1 2 DT 0.101 0.032 9 0 "[ . 1]"
1 3 DG 1.871 0.106 4 0 "[ . 1]"
1 4 LCG 5.116 0.177 6 0 "[ . 1]"
1 5 DG 0.674 0.080 5 0 "[ . 1]"
1 6 DT 0.207 0.042 3 0 "[ . 1]"
1 7 DT 1.573 0.111 1 0 "[ . 1]"
1 8 DA 2.845 0.193 7 0 "[ . 1]"
1 9 DG 1.541 0.093 7 0 "[ . 1]"
1 10 DG 2.092 0.107 7 0 "[ . 1]"
1 11 DG 0.903 0.131 6 0 "[ . 1]"
1 12 DT 0.095 0.035 7 0 "[ . 1]"
1 13 DT 0.474 0.045 2 0 "[ . 1]"
1 14 DA 0.188 0.032 2 0 "[ . 1]"
1 15 DG 1.577 0.156 5 0 "[ . 1]"
1 16 DG 2.355 0.156 5 0 "[ . 1]"
1 17 DG 2.139 0.152 8 0 "[ . 1]"
1 18 DT 0.739 0.085 9 0 "[ . 1]"
1 19 DT 0.784 0.054 9 0 "[ . 1]"
1 20 DA 3.343 0.122 5 0 "[ . 1]"
1 21 DG 1.875 0.102 4 0 "[ . 1]"
1 22 DG 1.685 0.119 9 0 "[ . 1]"
1 23 DG 2.702 0.130 1 0 "[ . 1]"
1 24 DA 0.425 0.063 9 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 10 DG H1 1 17 DG H1 2.600 . 3.400 3.381 3.086 3.426 0.026 7 0 "[ . 1]" 1
2 1 10 DG H1 1 11 DG H1 2.600 . 3.400 3.443 3.415 3.458 0.058 4 0 "[ . 1]" 1
3 1 10 DG H1 1 16 DG H1 4.800 3.600 6.000 4.427 4.319 4.500 . 0 0 "[ . 1]" 1
4 1 22 DG H1 1 23 DG H1 2.600 . 3.400 3.483 3.445 3.519 0.119 9 0 "[ . 1]" 1
5 1 3 DG H1 1 16 DG H1 4.800 3.600 6.000 5.902 5.601 6.017 0.017 8 0 "[ . 1]" 1
6 1 15 DG H1 1 22 DG H1 4.800 3.600 6.000 4.323 3.839 5.080 . 0 0 "[ . 1]" 1
7 1 3 DG H1 1 21 DG H1 4.800 3.600 6.000 4.502 4.447 4.530 . 0 0 "[ . 1]" 1
8 1 3 DG H1 1 9 DG H1 4.800 3.600 6.000 4.264 4.169 4.346 . 0 0 "[ . 1]" 1
9 1 4 LCG H1 1 23 DG H1 4.800 3.600 6.000 4.583 4.011 4.859 . 0 0 "[ . 1]" 1
10 1 4 LCG H1 1 5 DG H1 2.600 . 3.400 3.441 3.413 3.480 0.080 5 0 "[ . 1]" 1
11 1 4 LCG H1 1 9 DG H1 2.600 . 3.400 3.470 3.441 3.493 0.093 7 0 "[ . 1]" 1
12 1 16 DG H1 1 17 DG H1 4.800 3.600 6.000 5.880 5.602 6.023 0.023 5 0 "[ . 1]" 1
13 1 17 DG H1 1 21 DG H1 4.800 3.600 6.000 4.486 4.440 4.525 . 0 0 "[ . 1]" 1
14 1 11 DG H1 1 16 DG H1 4.800 3.600 6.000 5.549 5.040 6.024 0.024 5 0 "[ . 1]" 1
15 1 16 DG H1 1 21 DG H1 2.600 . 3.400 3.452 3.419 3.476 0.076 6 0 "[ . 1]" 1
16 1 15 DG H1 1 23 DG H1 4.800 3.600 6.000 4.128 4.039 4.332 . 0 0 "[ . 1]" 1
17 1 5 DG H1 1 23 DG H1 4.800 3.600 6.000 4.468 4.424 4.511 . 0 0 "[ . 1]" 1
18 1 10 DG H1 1 16 DG H8 4.800 3.600 6.000 5.283 5.083 5.461 . 0 0 "[ . 1]" 1
19 1 3 DG H1 1 21 DG H8 4.800 3.600 6.000 5.085 4.855 5.458 . 0 0 "[ . 1]" 1
20 1 4 LCG H8 1 22 DG H1 4.800 3.600 6.000 5.204 5.039 5.402 . 0 0 "[ . 1]" 1
21 1 4 LCG H1 1 10 DG H8 4.800 3.600 6.000 4.529 4.372 4.691 . 0 0 "[ . 1]" 1
22 1 9 DG H8 1 17 DG H1 4.800 3.600 6.000 4.873 4.409 5.163 . 0 0 "[ . 1]" 1
23 1 3 DG H8 1 9 DG H1 4.800 3.600 6.000 5.187 4.934 5.434 . 0 0 "[ . 1]" 1
24 1 11 DG H1 1 15 DG H8 4.800 3.600 6.000 4.502 4.061 5.249 . 0 0 "[ . 1]" 1
25 1 17 DG H8 1 21 DG H1 4.800 3.600 6.000 4.960 4.787 5.084 . 0 0 "[ . 1]" 1
26 1 15 DG H1 1 23 DG H8 4.800 3.600 6.000 5.741 4.972 6.019 0.019 9 0 "[ . 1]" 1
27 1 5 DG H1 1 11 DG H8 4.800 3.600 6.000 5.625 4.905 5.988 . 0 0 "[ . 1]" 1
28 1 5 DG H8 1 23 DG H1 4.800 3.600 6.000 4.664 4.241 5.069 . 0 0 "[ . 1]" 1
29 1 16 DG H1 1 22 DG H8 4.800 3.600 6.000 4.701 4.617 4.835 . 0 0 "[ . 1]" 1
30 1 20 DA H2 1 21 DG H1 4.000 3.000 5.000 3.539 3.249 3.807 . 0 0 "[ . 1]" 1
31 1 3 DG H1 1 20 DA H2 4.000 3.000 5.000 3.591 3.351 4.202 . 0 0 "[ . 1]" 1
32 1 17 DG H1 1 20 DA H2 4.000 3.000 5.000 4.827 4.555 5.015 0.015 5 0 "[ . 1]" 1
33 1 9 DG H1 1 20 DA H2 4.000 3.000 5.000 4.956 4.626 5.026 0.026 2 0 "[ . 1]" 1
34 1 1 DT H6 1 9 DG H1 4.800 3.600 6.000 4.938 4.741 5.149 . 0 0 "[ . 1]" 1
35 1 11 DG H1 1 13 DT H6 4.800 3.600 6.000 4.365 4.181 4.617 . 0 0 "[ . 1]" 1
36 1 5 DG H1 1 13 DT H6 4.800 3.600 6.000 5.626 5.155 5.901 . 0 0 "[ . 1]" 1
37 1 5 DG H1 1 24 DA H2 4.800 3.600 6.000 5.520 4.871 6.009 0.009 4 0 "[ . 1]" 1
38 1 23 DG H1 1 24 DA H2 4.000 3.000 5.000 4.526 4.064 5.015 0.015 9 0 "[ . 1]" 1
39 1 11 DG H1 1 13 DT H1' 2.600 . 3.400 3.339 3.010 3.439 0.039 7 0 "[ . 1]" 1
40 1 1 DT H1' 1 9 DG H1 2.600 . 3.400 3.239 3.007 3.421 0.021 7 0 "[ . 1]" 1
41 1 20 DA H1' 1 21 DG H1 2.600 . 3.400 3.452 3.431 3.474 0.074 9 0 "[ . 1]" 1
42 1 14 DA H1' 1 15 DG H1 4.800 3.600 6.000 5.514 4.457 6.025 0.025 9 0 "[ . 1]" 1
43 1 5 DG H1 1 13 DT C7 4.000 2.800 5.700 5.178 4.756 5.465 . 0 0 "[ . 1]" 1
44 1 1 DT C7 1 9 DG H1 4.800 3.600 6.500 6.009 5.791 6.303 . 0 0 "[ . 1]" 1
45 1 1 DT C7 1 17 DG H1 4.800 3.600 6.500 6.209 5.895 6.502 0.002 2 0 "[ . 1]" 1
46 1 1 DT H2' 1 9 DG H1 4.800 3.600 6.000 5.238 4.917 5.805 . 0 0 "[ . 1]" 1
47 1 1 DT H2'' 1 9 DG H1 4.800 3.600 6.000 4.364 3.909 5.355 . 0 0 "[ . 1]" 1
48 1 5 DG H1 1 10 DG H1 4.800 3.600 6.000 4.699 4.148 5.022 . 0 0 "[ . 1]" 1
49 1 11 DG H1 1 13 DT H2'' 4.800 3.600 6.000 5.725 5.449 5.976 . 0 0 "[ . 1]" 1
50 1 20 DA H2'' 1 21 DG H1 4.800 3.600 6.000 4.471 3.921 4.785 . 0 0 "[ . 1]" 1
51 1 20 DA H2' 1 21 DG H1 4.800 3.600 6.000 5.328 5.163 5.593 . 0 0 "[ . 1]" 1
52 1 2 DT H4' 1 3 DG H1 4.000 3.000 5.000 4.433 3.957 5.005 0.005 8 0 "[ . 1]" 1
53 1 1 DT H4' 1 9 DG H1 4.800 3.600 6.000 5.948 5.806 6.021 0.021 7 0 "[ . 1]" 1
54 1 11 DG H1 1 13 DT H4' 4.000 3.000 5.000 4.159 3.684 4.628 . 0 0 "[ . 1]" 1
55 1 4 LCG H1 1 9 DG H2' 4.800 3.600 6.000 5.614 4.977 5.835 . 0 0 "[ . 1]" 1
56 1 16 DG H1 1 21 DG H2' 4.800 3.600 6.000 5.178 4.826 5.391 . 0 0 "[ . 1]" 1
57 1 14 DA H4' 1 15 DG H1 4.800 3.600 6.000 4.748 4.100 5.610 . 0 0 "[ . 1]" 1
58 1 1 DT C7 1 1 DT H6 3.040 2.430 4.150 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
59 1 1 DT H2' 1 1 DT H6 3.540 2.830 4.250 4.157 3.870 4.257 0.007 8 0 "[ . 1]" 1
60 1 1 DT H2'' 1 1 DT H6 4.080 3.260 4.900 4.876 4.840 4.910 0.010 1 0 "[ . 1]" 1
61 1 1 DT H1' 1 1 DT H2'' 3.010 2.410 3.610 2.462 2.396 2.539 0.014 7 0 "[ . 1]" 1
62 1 1 DT H1' 1 1 DT H2' 2.700 . 3.600 3.020 2.999 3.029 . 0 0 "[ . 1]" 1
63 1 1 DT H1' 1 1 DT H3' 3.800 3.000 4.600 3.847 3.811 3.901 . 0 0 "[ . 1]" 1
64 1 1 DT C7 1 1 DT H1' 5.500 3.800 7.700 5.407 5.353 5.552 . 0 0 "[ . 1]" 1
65 1 1 DT H1' 1 1 DT H4' 2.700 . 3.600 2.824 2.699 2.973 . 0 0 "[ . 1]" 1
66 1 1 DT H4' 1 1 DT H6 5.500 3.800 7.200 4.184 4.168 4.197 . 0 0 "[ . 1]" 1
67 1 1 DT H3' 1 1 DT H4' 2.700 . 3.600 2.919 2.859 2.988 . 0 0 "[ . 1]" 1
68 1 1 DT H2' 1 1 DT H3' 2.860 2.290 3.430 2.307 2.283 2.334 0.007 7 0 "[ . 1]" 1
69 1 1 DT H2'' 1 1 DT H3' 3.190 2.550 3.830 2.726 2.625 2.870 . 0 0 "[ . 1]" 1
70 1 1 DT H1' 1 1 DT H6 3.810 3.050 4.570 3.136 3.054 3.343 . 0 0 "[ . 1]" 1
71 1 1 DT H3' 1 1 DT H6 5.870 4.700 7.040 5.224 4.820 5.394 . 0 0 "[ . 1]" 1
72 1 1 DT H2' 1 2 DT H6 5.500 3.800 7.200 4.568 3.841 5.461 . 0 0 "[ . 1]" 1
73 1 1 DT H2'' 1 2 DT H6 3.800 3.000 4.600 4.510 4.171 4.632 0.032 9 0 "[ . 1]" 1
74 1 1 DT H3' 1 2 DT C7 5.310 4.250 6.870 5.483 4.899 6.467 . 0 0 "[ . 1]" 1
75 1 1 DT H3' 1 2 DT H6 5.500 3.800 7.200 4.416 3.858 5.494 . 0 0 "[ . 1]" 1
76 1 1 DT H1' 1 3 DG H8 5.500 3.800 7.200 3.985 3.796 4.625 0.004 1 0 "[ . 1]" 1
77 1 1 DT H1' 1 8 DA H2'' 4.650 3.720 5.580 5.544 5.159 5.641 0.061 8 0 "[ . 1]" 1
78 1 1 DT C7 1 9 DG H8 4.140 3.310 5.470 3.948 3.553 4.319 . 0 0 "[ . 1]" 1
79 1 1 DT C7 1 9 DG H1' 5.500 3.800 7.700 4.108 3.926 4.430 . 0 0 "[ . 1]" 1
80 1 1 DT C7 1 9 DG H4' 3.900 3.120 5.180 4.470 4.058 4.766 . 0 0 "[ . 1]" 1
81 1 1 DT H6 1 9 DG H4' 4.580 3.660 5.500 5.151 4.799 5.355 . 0 0 "[ . 1]" 1
82 1 2 DT C7 1 2 DT H6 3.090 2.470 4.210 2.660 2.659 2.661 . 0 0 "[ . 1]" 1
83 1 2 DT H2'' 1 2 DT H6 3.800 3.000 4.600 4.213 3.809 4.600 . 0 0 "[ . 1]" 1
84 1 2 DT H2' 1 2 DT H6 2.700 . 3.600 2.915 2.341 3.612 0.012 10 0 "[ . 1]" 1
85 1 2 DT H1' 1 2 DT H2' 3.390 2.710 4.070 3.027 3.025 3.028 . 0 0 "[ . 1]" 1
86 1 2 DT H1' 1 2 DT H2'' 2.700 . 3.600 2.408 2.376 2.441 . 0 0 "[ . 1]" 1
87 1 2 DT H1' 1 2 DT H3' 3.800 3.000 4.600 3.812 3.796 3.825 . 0 0 "[ . 1]" 1
88 1 2 DT H1' 1 2 DT H4' 2.700 . 3.600 3.011 2.834 3.226 . 0 0 "[ . 1]" 1
89 1 2 DT H4' 1 2 DT H6 5.500 3.800 7.200 4.345 4.131 4.605 . 0 0 "[ . 1]" 1
90 1 2 DT H3' 1 2 DT H4' 2.700 . 3.600 2.850 2.787 2.901 . 0 0 "[ . 1]" 1
91 1 2 DT H2' 1 2 DT H3' 2.700 . 3.600 2.337 2.317 2.361 . 0 0 "[ . 1]" 1
92 1 2 DT H2'' 1 2 DT H3' 2.700 . 3.600 2.754 2.680 2.825 . 0 0 "[ . 1]" 1
93 1 2 DT H2' 1 2 DT H4' 3.800 3.000 4.600 3.854 3.831 3.875 . 0 0 "[ . 1]" 1
94 1 2 DT H2'' 1 2 DT H4' 3.800 3.000 4.600 3.934 3.823 4.037 . 0 0 "[ . 1]" 1
95 1 2 DT H1' 1 2 DT H6 3.800 3.000 4.600 3.633 3.442 3.730 . 0 0 "[ . 1]" 1
96 1 2 DT H3' 1 2 DT H6 4.330 3.030 5.630 4.426 4.036 4.913 . 0 0 "[ . 1]" 1
97 1 2 DT C7 1 20 DA H2 5.500 3.800 7.700 7.135 6.549 7.519 . 0 0 "[ . 1]" 1
98 1 3 DG H1' 1 3 DG H2' 2.700 . 3.600 3.027 3.025 3.030 . 0 0 "[ . 1]" 1
99 1 3 DG H1' 1 3 DG H2'' 2.700 . 3.600 2.546 2.508 2.613 . 0 0 "[ . 1]" 1
100 1 3 DG H1' 1 3 DG H3' 3.800 3.000 4.600 3.779 3.765 3.816 . 0 0 "[ . 1]" 1
101 1 3 DG H2' 1 3 DG H8 5.500 3.800 7.200 4.623 4.439 4.671 . 0 0 "[ . 1]" 1
102 1 3 DG H2'' 1 3 DG H8 3.770 3.020 4.520 4.535 4.375 4.563 0.043 7 0 "[ . 1]" 1
103 1 3 DG H1' 1 3 DG H4' 2.700 . 3.600 2.690 2.542 3.074 . 0 0 "[ . 1]" 1
104 1 3 DG H4' 1 3 DG H8 5.500 3.800 7.200 4.967 4.815 5.371 . 0 0 "[ . 1]" 1
105 1 3 DG H3' 1 3 DG H4' 2.700 . 3.600 2.922 2.818 2.957 . 0 0 "[ . 1]" 1
106 1 3 DG H2' 1 3 DG H3' 2.700 . 3.600 2.312 2.302 2.351 . 0 0 "[ . 1]" 1
107 1 3 DG H1' 1 3 DG H8 2.700 . 3.600 2.584 2.578 2.591 . 0 0 "[ . 1]" 1
108 1 3 DG H2'' 1 3 DG H3' 3.310 2.320 4.300 2.570 2.367 2.642 . 0 0 "[ . 1]" 1
109 1 3 DG H2'' 1 3 DG H4' 3.800 3.000 4.600 3.684 3.598 3.850 . 0 0 "[ . 1]" 1
110 1 3 DG H3' 1 3 DG H8 5.500 3.800 7.200 6.097 6.056 6.114 . 0 0 "[ . 1]" 1
111 1 3 DG H2'' 1 4 LCG H1' 5.440 4.350 6.530 4.620 4.318 5.080 0.032 8 0 "[ . 1]" 1
112 1 3 DG H2' 1 4 LCG H8 3.290 2.630 3.950 2.975 2.623 3.056 0.007 8 0 "[ . 1]" 1
113 1 3 DG H2'' 1 4 LCG H8 2.870 2.300 3.440 2.201 2.194 2.216 0.106 4 0 "[ . 1]" 1
114 1 3 DG H1' 1 4 LCG H1' 3.800 3.000 4.600 3.869 3.684 4.184 . 0 0 "[ . 1]" 1
115 1 3 DG H8 1 4 LCG H1' 3.800 3.000 4.600 2.986 2.932 3.134 0.068 7 0 "[ . 1]" 1
116 1 3 DG H1' 1 4 LCG H8 4.490 3.590 5.390 3.823 3.571 4.197 0.019 1 0 "[ . 1]" 1
117 1 3 DG H8 1 4 LCG H6'2 5.500 3.800 7.200 5.959 5.856 6.111 . 0 0 "[ . 1]" 1
118 1 3 DG H8 1 4 LCG H6'1 5.500 3.800 7.200 4.307 4.201 4.445 . 0 0 "[ . 1]" 1
119 1 3 DG H2' 1 4 LCG H1' 5.500 3.800 7.200 5.506 5.120 5.850 . 0 0 "[ . 1]" 1
120 1 3 DG H3' 1 4 LCG H8 3.800 3.000 4.600 4.564 4.140 4.641 0.041 7 0 "[ . 1]" 1
121 1 3 DG H8 1 4 LCG H8 5.500 3.800 7.200 4.705 4.248 4.884 . 0 0 "[ . 1]" 1
122 1 3 DG H8 1 8 DA H2'' 5.500 3.800 7.200 5.163 4.567 5.846 . 0 0 "[ . 1]" 1
123 1 4 LCG H1' 1 4 LCG H3' 3.800 3.000 4.600 3.598 3.569 3.611 . 0 0 "[ . 1]" 1
124 1 4 LCG H1' 1 4 LCG H8 3.800 3.000 4.600 3.807 3.794 3.818 . 0 0 "[ . 1]" 1
125 1 4 LCG H6'1 1 4 LCG H8 5.500 3.800 7.200 5.159 5.115 5.183 . 0 0 "[ . 1]" 1
126 1 4 LCG H2' 1 4 LCG H8 5.500 3.800 7.200 4.224 4.193 4.253 . 0 0 "[ . 1]" 1
127 1 4 LCG H1' 1 4 LCG H2' 2.700 . 3.600 2.711 2.704 2.715 . 0 0 "[ . 1]" 1
128 1 4 LCG H1' 1 4 LCG H6'2 3.800 3.000 4.600 4.041 4.033 4.050 . 0 0 "[ . 1]" 1
129 1 4 LCG H1' 1 4 LCG H6'1 3.800 3.000 4.600 2.907 2.899 2.923 0.101 9 0 "[ . 1]" 1
130 1 4 LCG H2' 1 4 LCG H6'2 3.800 3.000 4.600 3.888 3.884 3.897 . 0 0 "[ . 1]" 1
131 1 4 LCG H2' 1 4 LCG H6'1 3.800 3.000 4.600 3.972 3.969 3.977 . 0 0 "[ . 1]" 1
132 1 4 LCG H3' 1 4 LCG H5'' 2.700 . 3.600 3.198 3.156 3.224 . 0 0 "[ . 1]" 1
133 1 4 LCG H3' 1 4 LCG H5' 3.800 3.000 4.600 3.867 3.853 3.877 . 0 0 "[ . 1]" 1
134 1 4 LCG H5'' 1 4 LCG H8 4.730 3.780 5.680 4.628 4.546 4.674 . 0 0 "[ . 1]" 1
135 1 4 LCG H5' 1 4 LCG H8 5.500 3.800 7.200 4.464 4.436 4.507 . 0 0 "[ . 1]" 1
136 1 4 LCG H1' 1 4 LCG H5'' 5.500 3.800 7.200 5.133 5.125 5.141 . 0 0 "[ . 1]" 1
137 1 4 LCG H1' 1 4 LCG H5' 5.500 3.800 7.200 4.621 4.601 4.644 . 0 0 "[ . 1]" 1
138 1 4 LCG H3' 1 4 LCG H8 3.340 2.670 4.010 2.527 2.493 2.557 0.177 6 0 "[ . 1]" 1
139 1 4 LCG H1' 1 5 DG H8 5.080 3.560 6.600 4.862 4.553 5.028 . 0 0 "[ . 1]" 1
140 1 4 LCG H2' 1 5 DG H8 3.160 2.210 4.110 2.326 2.189 2.461 0.021 4 0 "[ . 1]" 1
141 1 4 LCG H2' 1 5 DG H1' 3.800 3.000 4.600 4.468 4.303 4.605 0.005 3 0 "[ . 1]" 1
142 1 4 LCG H2' 1 5 DG H2' 3.800 3.000 4.600 4.291 3.711 4.621 0.021 4 0 "[ . 1]" 1
143 1 4 LCG H2' 1 5 DG H2'' 5.500 3.800 7.200 5.495 5.050 5.786 . 0 0 "[ . 1]" 1
144 1 4 LCG H3' 1 5 DG H8 4.570 3.200 5.940 3.351 3.221 3.512 . 0 0 "[ . 1]" 1
145 1 4 LCG H2' 1 5 DG H3' 5.500 3.800 7.200 4.922 4.202 5.324 . 0 0 "[ . 1]" 1
146 1 4 LCG H1' 1 6 DT C7 5.800 4.640 7.460 7.162 6.416 7.479 0.019 9 0 "[ . 1]" 1
147 1 4 LCG H6'2 1 8 DA H2 5.500 3.800 7.200 6.644 5.283 7.182 . 0 0 "[ . 1]" 1
148 1 4 LCG H6'1 1 8 DA H2 5.500 3.800 7.200 5.204 4.768 5.987 . 0 0 "[ . 1]" 1
149 1 5 DG H1' 1 5 DG H3' 4.390 3.510 5.270 3.900 3.837 3.950 . 0 0 "[ . 1]" 1
150 1 5 DG H1' 1 5 DG H8 3.800 3.000 4.600 3.906 3.869 3.914 . 0 0 "[ . 1]" 1
151 1 5 DG H1' 1 5 DG H4' 2.700 . 3.600 3.410 2.864 3.552 . 0 0 "[ . 1]" 1
152 1 5 DG H1' 1 5 DG H2'' 2.700 . 3.600 2.380 2.199 2.431 . 0 0 "[ . 1]" 1
153 1 5 DG H1' 1 5 DG H2' 2.700 . 3.600 3.000 2.930 3.023 . 0 0 "[ . 1]" 1
154 1 5 DG H2' 1 5 DG H8 2.700 . 3.600 2.689 2.599 3.033 . 0 0 "[ . 1]" 1
155 1 5 DG H2'' 1 5 DG H8 3.800 3.000 4.600 4.177 4.090 4.452 . 0 0 "[ . 1]" 1
156 1 5 DG H4' 1 5 DG H8 5.500 3.800 7.200 4.544 4.319 4.809 . 0 0 "[ . 1]" 1
157 1 5 DG H3' 1 5 DG H4' 2.700 . 3.600 2.764 2.709 3.014 . 0 0 "[ . 1]" 1
158 1 5 DG H2' 1 5 DG H3' 2.700 . 3.600 2.346 2.279 2.372 . 0 0 "[ . 1]" 1
159 1 5 DG H2'' 1 5 DG H3' 2.700 . 3.600 2.721 2.633 3.050 . 0 0 "[ . 1]" 1
160 1 5 DG H2'' 1 5 DG H4' 3.800 3.000 4.600 3.975 3.244 4.097 . 0 0 "[ . 1]" 1
161 1 5 DG H2' 1 5 DG H4' 3.800 3.000 4.600 3.839 3.807 3.878 . 0 0 "[ . 1]" 1
162 1 5 DG H3' 1 5 DG H8 4.630 3.240 6.020 4.243 3.284 4.571 . 0 0 "[ . 1]" 1
163 1 5 DG H4' 1 6 DT H6 4.870 3.900 5.840 4.862 4.155 5.852 0.012 2 0 "[ . 1]" 1
164 1 5 DG H4' 1 6 DT H2' 5.500 3.800 7.200 5.037 3.758 5.980 0.042 3 0 "[ . 1]" 1
165 1 5 DG H3' 1 6 DT H6 5.500 3.800 7.200 6.331 5.196 7.217 0.017 8 0 "[ . 1]" 1
166 1 5 DG H1' 1 7 DT C7 4.280 3.000 6.060 5.159 4.070 6.070 0.010 1 0 "[ . 1]" 1
167 1 5 DG H4' 1 7 DT C7 5.500 3.800 7.700 4.152 3.780 6.079 0.020 10 0 "[ . 1]" 1
168 1 5 DG H4' 1 7 DT H6 5.500 3.800 7.200 4.960 4.285 5.610 . 0 0 "[ . 1]" 1
169 1 6 DT C7 1 6 DT H6 3.030 2.420 4.140 2.658 2.656 2.660 . 0 0 "[ . 1]" 1
170 1 6 DT H2' 1 6 DT H6 2.730 2.180 3.280 2.197 2.173 2.270 0.007 3 0 "[ . 1]" 1
171 1 6 DT H2'' 1 6 DT H6 3.270 2.620 3.920 3.357 2.616 3.825 0.004 8 0 "[ . 1]" 1
172 1 6 DT H1' 1 6 DT H2' 3.270 2.620 3.920 3.018 2.997 3.030 . 0 0 "[ . 1]" 1
173 1 6 DT H1' 1 6 DT H2'' 2.700 . 3.600 2.360 2.199 2.622 . 0 0 "[ . 1]" 1
174 1 6 DT H1' 1 6 DT H3' 4.060 3.250 4.870 3.842 3.804 3.888 . 0 0 "[ . 1]" 1
175 1 6 DT H1' 1 6 DT H4' 2.700 . 3.600 2.871 2.712 3.179 . 0 0 "[ . 1]" 1
176 1 6 DT H4' 1 6 DT H6 5.500 3.800 7.200 4.873 4.565 5.437 . 0 0 "[ . 1]" 1
177 1 6 DT H1' 1 6 DT H6 3.640 2.550 4.730 3.588 3.222 3.739 . 0 0 "[ . 1]" 1
178 1 6 DT H3' 1 6 DT H4' 2.700 . 3.600 2.904 2.800 2.979 . 0 0 "[ . 1]" 1
179 1 6 DT H2' 1 6 DT H3' 2.700 . 3.600 2.311 2.281 2.357 . 0 0 "[ . 1]" 1
180 1 6 DT H2'' 1 6 DT H3' 2.700 . 3.600 2.810 2.382 3.020 . 0 0 "[ . 1]" 1
181 1 6 DT H2' 1 6 DT H4' 3.800 3.000 4.600 3.873 3.842 3.893 . 0 0 "[ . 1]" 1
182 1 6 DT H2'' 1 6 DT H4' 3.800 3.000 4.600 3.755 3.527 4.058 . 0 0 "[ . 1]" 1
183 1 6 DT H3' 1 6 DT H6 4.560 3.190 5.930 3.991 3.503 4.432 . 0 0 "[ . 1]" 1
184 1 6 DT H4' 1 7 DT C7 5.500 3.800 7.700 6.851 5.773 7.736 0.036 7 0 "[ . 1]" 1
185 1 6 DT H4' 1 7 DT H6 5.500 3.800 7.200 6.285 4.421 7.230 0.030 2 0 "[ . 1]" 1
186 1 6 DT H1' 1 7 DT H6 5.500 3.800 7.200 6.615 5.932 7.203 0.003 5 0 "[ . 1]" 1
187 1 6 DT H3' 1 7 DT C7 5.500 3.800 7.700 5.517 4.835 6.132 . 0 0 "[ . 1]" 1
188 1 6 DT H3' 1 7 DT H6 4.230 2.960 5.500 4.281 2.942 4.994 0.018 9 0 "[ . 1]" 1
189 1 6 DT H6 1 7 DT H3' 5.500 3.800 7.200 6.661 5.868 7.130 . 0 0 "[ . 1]" 1
190 1 7 DT C7 1 7 DT H6 3.090 2.470 4.210 2.658 2.656 2.659 . 0 0 "[ . 1]" 1
191 1 7 DT H1' 1 7 DT H3' 3.800 3.000 4.600 3.877 3.822 3.928 . 0 0 "[ . 1]" 1
192 1 7 DT H1' 1 7 DT H4' 2.700 . 3.600 3.286 2.729 3.604 0.004 2 0 "[ . 1]" 1
193 1 7 DT H1' 1 7 DT H2' 3.550 2.840 4.260 2.795 2.729 2.986 0.111 1 0 "[ . 1]" 1
194 1 7 DT H1' 1 7 DT H2'' 2.700 . 3.600 2.301 2.179 2.493 . 0 0 "[ . 1]" 1
195 1 7 DT H2'' 1 7 DT H6 3.800 3.000 4.600 4.220 3.879 4.606 0.006 9 0 "[ . 1]" 1
196 1 7 DT H4' 1 7 DT H6 5.500 3.800 7.200 5.324 4.242 5.601 . 0 0 "[ . 1]" 1
197 1 7 DT H3' 1 7 DT H4' 2.700 . 3.600 3.018 2.980 3.031 . 0 0 "[ . 1]" 1
198 1 7 DT H2' 1 7 DT H3' 2.890 2.020 3.760 2.323 2.284 2.342 . 0 0 "[ . 1]" 1
199 1 7 DT H2'' 1 7 DT H3' 2.950 2.060 3.840 3.042 2.874 3.124 . 0 0 "[ . 1]" 1
200 1 7 DT H1' 1 7 DT H6 4.500 . 7.200 2.397 2.257 3.432 . 0 0 "[ . 1]" 1
201 1 7 DT H3' 1 7 DT H6 5.610 4.490 6.730 5.109 4.449 5.470 0.041 9 0 "[ . 1]" 1
202 1 7 DT H1' 1 8 DA H2 5.500 3.800 7.200 7.037 5.280 7.252 0.052 7 0 "[ . 1]" 1
203 1 7 DT H6 1 8 DA H8 5.500 3.800 7.200 5.865 5.035 6.791 . 0 0 "[ . 1]" 1
204 1 7 DT H2'' 1 8 DA H8 3.730 2.980 4.480 3.118 2.960 4.101 0.020 8 0 "[ . 1]" 1
205 1 7 DT H2' 1 8 DA H8 4.030 3.220 4.840 4.097 3.416 4.746 . 0 0 "[ . 1]" 1
206 1 7 DT H2'' 1 8 DA H3' 5.500 3.800 7.200 3.805 3.743 4.073 0.057 2 0 "[ . 1]" 1
207 1 7 DT H3' 1 8 DA H8 5.790 4.630 6.950 5.827 5.288 6.857 . 0 0 "[ . 1]" 1
208 1 7 DT H1' 1 8 DA H8 4.870 3.900 5.840 4.510 3.998 4.870 . 0 0 "[ . 1]" 1
209 1 8 DA H1' 1 8 DA H2 5.500 3.800 7.200 4.810 4.692 5.375 . 0 0 "[ . 1]" 1
210 1 8 DA H1' 1 8 DA H2'' 2.790 2.230 3.350 2.180 2.140 2.328 0.090 7 0 "[ . 1]" 1
211 1 8 DA H1' 1 8 DA H2' 3.350 2.680 4.020 3.027 3.019 3.031 . 0 0 "[ . 1]" 1
212 1 8 DA H1' 1 8 DA H3' 3.800 3.000 4.600 3.842 3.816 3.882 . 0 0 "[ . 1]" 1
213 1 8 DA H2'' 1 8 DA H8 3.290 2.300 4.280 4.235 2.621 4.473 0.193 7 0 "[ . 1]" 1
214 1 8 DA H2' 1 8 DA H8 2.720 . 3.540 3.407 2.789 3.545 0.005 7 0 "[ . 1]" 1
215 1 8 DA H1' 1 8 DA H4' 2.700 . 3.600 2.875 2.739 3.355 . 0 0 "[ . 1]" 1
216 1 8 DA H4' 1 8 DA H8 5.500 3.800 7.200 4.667 4.368 5.709 . 0 0 "[ . 1]" 1
217 1 8 DA H3' 1 8 DA H4' 2.700 . 3.600 2.896 2.754 2.955 . 0 0 "[ . 1]" 1
218 1 8 DA H2'' 1 8 DA H3' 3.170 2.540 3.800 3.018 2.866 3.078 . 0 0 "[ . 1]" 1
219 1 8 DA H2' 1 8 DA H3' 2.830 2.260 3.400 2.320 2.290 2.361 . 0 0 "[ . 1]" 1
220 1 8 DA H2'' 1 8 DA H4' 3.800 3.000 4.600 3.845 3.665 4.122 . 0 0 "[ . 1]" 1
221 1 8 DA H2' 1 8 DA H4' 3.800 3.000 4.600 3.865 3.813 3.888 . 0 0 "[ . 1]" 1
222 1 8 DA H3' 1 8 DA H8 4.130 3.300 4.960 4.827 4.637 4.987 0.027 8 0 "[ . 1]" 1
223 1 8 DA H1' 1 8 DA H8 4.230 3.380 5.080 3.690 3.312 3.772 0.068 9 0 "[ . 1]" 1
224 1 8 DA H2'' 1 9 DG H3' 5.500 3.800 7.200 5.651 3.796 6.815 0.004 8 0 "[ . 1]" 1
225 1 8 DA H2' 1 9 DG H3' 5.500 3.800 7.200 5.973 4.379 6.658 . 0 0 "[ . 1]" 1
226 1 8 DA H4' 1 9 DG H3' 5.500 3.800 7.200 6.282 5.714 6.710 . 0 0 "[ . 1]" 1
227 1 9 DG H1' 1 9 DG H2'' 3.060 2.450 3.670 2.419 2.400 2.432 0.050 6 0 "[ . 1]" 1
228 1 9 DG H1' 1 9 DG H2' 3.500 2.800 4.200 3.034 3.030 3.036 . 0 0 "[ . 1]" 1
229 1 9 DG H1' 1 9 DG H3' 3.800 3.000 4.600 3.764 3.728 3.805 . 0 0 "[ . 1]" 1
230 1 9 DG H2' 1 9 DG H8 5.500 3.800 7.200 4.609 4.488 4.699 . 0 0 "[ . 1]" 1
231 1 9 DG H2'' 1 9 DG H8 4.680 3.280 6.080 4.195 3.943 4.370 . 0 0 "[ . 1]" 1
232 1 9 DG H1' 1 9 DG H4' 2.700 . 3.600 2.905 2.798 3.113 . 0 0 "[ . 1]" 1
233 1 9 DG H4' 1 9 DG H8 5.500 3.800 7.200 5.200 5.097 5.451 . 0 0 "[ . 1]" 1
234 1 9 DG H3' 1 9 DG H4' 2.700 . 3.600 2.858 2.815 2.888 . 0 0 "[ . 1]" 1
235 1 9 DG H2' 1 9 DG H3' 2.700 . 3.600 2.343 2.332 2.364 . 0 0 "[ . 1]" 1
236 1 9 DG H2' 1 9 DG H4' 3.800 3.000 4.600 3.831 3.804 3.845 . 0 0 "[ . 1]" 1
237 1 9 DG H2'' 1 9 DG H3' 3.180 2.540 3.820 2.779 2.717 2.820 . 0 0 "[ . 1]" 1
238 1 9 DG H2'' 1 9 DG H4' 3.800 3.000 4.600 3.956 3.895 4.029 . 0 0 "[ . 1]" 1
239 1 9 DG H1' 1 9 DG H8 2.700 . 3.600 2.587 2.578 2.597 . 0 0 "[ . 1]" 1
240 1 9 DG H3' 1 9 DG H8 5.500 3.800 7.200 6.109 6.050 6.126 . 0 0 "[ . 1]" 1
241 1 9 DG H1' 1 10 DG H8 5.250 4.200 6.300 4.168 4.153 4.184 0.047 8 0 "[ . 1]" 1
242 1 9 DG H2' 1 10 DG H8 3.530 2.470 4.590 3.288 2.794 3.669 . 0 0 "[ . 1]" 1
243 1 9 DG H2'' 1 10 DG H8 3.030 2.120 3.940 2.424 2.190 2.586 . 0 0 "[ . 1]" 1
244 1 9 DG H2'' 1 10 DG H3' 5.500 3.800 7.200 4.404 4.240 4.820 . 0 0 "[ . 1]" 1
245 1 9 DG H8 1 10 DG H8 5.500 3.800 7.200 4.680 4.567 4.859 . 0 0 "[ . 1]" 1
246 1 9 DG H8 1 10 DG H1' 4.680 3.740 5.620 3.939 3.726 4.250 0.014 10 0 "[ . 1]" 1
247 1 9 DG H3' 1 10 DG H8 5.910 4.140 7.680 4.928 4.478 5.216 . 0 0 "[ . 1]" 1
248 1 10 DG H1' 1 10 DG H2'' 2.900 2.320 3.480 2.492 2.277 2.610 0.043 3 0 "[ . 1]" 1
249 1 10 DG H1' 1 10 DG H2' 3.330 2.660 4.000 3.019 3.008 3.033 . 0 0 "[ . 1]" 1
250 1 10 DG H1' 1 10 DG H8 5.540 3.880 7.200 3.912 3.904 3.918 . 0 0 "[ . 1]" 1
251 1 10 DG H1' 1 10 DG H3' 3.800 3.000 4.600 3.861 3.767 3.901 . 0 0 "[ . 1]" 1
252 1 10 DG H2' 1 10 DG H8 2.700 . 3.600 2.559 2.262 2.792 . 0 0 "[ . 1]" 1
253 1 10 DG H2'' 1 10 DG H8 3.560 2.490 4.630 4.091 3.789 4.343 . 0 0 "[ . 1]" 1
254 1 10 DG H1' 1 10 DG H4' 2.700 . 3.600 2.910 2.800 3.066 . 0 0 "[ . 1]" 1
255 1 10 DG H4' 1 10 DG H8 5.500 3.800 7.200 4.911 4.825 5.075 . 0 0 "[ . 1]" 1
256 1 10 DG H3' 1 10 DG H4' 2.700 . 3.600 2.898 2.813 2.949 . 0 0 "[ . 1]" 1
257 1 10 DG H2' 1 10 DG H3' 3.020 2.420 3.620 2.328 2.313 2.369 0.107 7 0 "[ . 1]" 1
258 1 10 DG H2'' 1 10 DG H3' 3.100 2.170 4.030 2.649 2.401 2.938 . 0 0 "[ . 1]" 1
259 1 10 DG H3' 1 10 DG H8 5.970 4.180 7.760 4.234 4.113 4.445 0.067 9 0 "[ . 1]" 1
260 1 10 DG H1' 1 11 DG H8 3.800 3.000 4.600 4.059 3.299 4.614 0.014 3 0 "[ . 1]" 1
261 1 10 DG H2'' 1 11 DG H8 2.700 . 3.600 2.209 2.171 2.396 . 0 0 "[ . 1]" 1
262 1 10 DG H2' 1 11 DG H8 2.950 2.060 3.840 3.157 2.768 3.709 . 0 0 "[ . 1]" 1
263 1 10 DG H3' 1 11 DG H8 5.500 3.800 7.200 4.394 4.185 4.636 . 0 0 "[ . 1]" 1
264 1 11 DG H1' 1 11 DG H8 3.800 3.000 4.600 3.907 3.836 3.922 . 0 0 "[ . 1]" 1
265 1 11 DG H1' 1 11 DG H2'' 2.840 2.270 3.410 2.319 2.180 2.530 0.090 6 0 "[ . 1]" 1
266 1 11 DG H1' 1 11 DG H2' 3.440 2.750 4.130 3.022 3.002 3.041 . 0 0 "[ . 1]" 1
267 1 11 DG H1' 1 11 DG H3' 3.800 3.000 4.600 3.821 3.775 3.871 . 0 0 "[ . 1]" 1
268 1 11 DG H2' 1 11 DG H8 2.700 . 3.600 2.428 2.229 3.049 . 0 0 "[ . 1]" 1
269 1 11 DG H2'' 1 11 DG H8 3.040 2.130 3.950 3.802 3.648 4.081 0.131 6 0 "[ . 1]" 1
270 1 11 DG H1' 1 11 DG H4' 2.700 . 3.600 2.938 2.633 3.235 . 0 0 "[ . 1]" 1
271 1 11 DG H4' 1 11 DG H8 5.500 3.800 7.200 4.976 4.558 5.109 . 0 0 "[ . 1]" 1
272 1 11 DG H3' 1 11 DG H4' 2.700 . 3.600 2.873 2.762 2.987 . 0 0 "[ . 1]" 1
273 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.600 2.865 2.542 2.991 . 0 0 "[ . 1]" 1
274 1 11 DG H2' 1 11 DG H3' 2.700 . 3.600 2.331 2.289 2.383 . 0 0 "[ . 1]" 1
275 1 11 DG H2'' 1 11 DG H4' 3.800 3.000 4.600 3.850 3.488 4.136 . 0 0 "[ . 1]" 1
276 1 11 DG H2' 1 11 DG H4' 3.800 3.000 4.600 3.846 3.771 3.879 . 0 0 "[ . 1]" 1
277 1 11 DG H3' 1 11 DG H8 4.250 2.980 5.520 4.302 3.911 4.835 . 0 0 "[ . 1]" 1
278 1 11 DG H8 1 13 DT C7 4.520 3.620 5.920 4.819 3.723 5.936 0.016 7 0 "[ . 1]" 1
279 1 12 DT C7 1 12 DT H6 2.600 2.080 3.620 2.660 2.658 2.661 . 0 0 "[ . 1]" 1
280 1 12 DT H1' 1 12 DT H2' 3.050 2.140 3.960 3.024 3.015 3.027 . 0 0 "[ . 1]" 1
281 1 12 DT H1' 1 12 DT H2'' 2.890 2.020 3.760 2.403 2.362 2.473 . 0 0 "[ . 1]" 1
282 1 12 DT H1' 1 12 DT H3' 3.800 3.000 4.600 3.827 3.800 3.855 . 0 0 "[ . 1]" 1
283 1 12 DT H2' 1 12 DT H6 3.800 3.000 4.600 3.897 2.988 4.314 0.012 6 0 "[ . 1]" 1
284 1 12 DT H2'' 1 12 DT H6 4.200 3.360 5.040 4.265 3.737 4.888 . 0 0 "[ . 1]" 1
285 1 12 DT H1' 1 12 DT H4' 2.700 . 3.600 2.912 2.766 3.100 . 0 0 "[ . 1]" 1
286 1 12 DT H4' 1 12 DT H6 5.500 3.800 7.200 4.582 4.182 5.180 . 0 0 "[ . 1]" 1
287 1 12 DT H3' 1 12 DT H4' 2.700 . 3.600 2.883 2.817 2.939 . 0 0 "[ . 1]" 1
288 1 12 DT H2' 1 12 DT H3' 2.700 . 3.600 2.322 2.298 2.353 . 0 0 "[ . 1]" 1
289 1 12 DT H2'' 1 12 DT H3' 2.700 . 3.600 2.779 2.688 2.846 . 0 0 "[ . 1]" 1
290 1 12 DT H1' 1 12 DT H6 4.500 . 7.200 2.932 2.284 3.654 . 0 0 "[ . 1]" 1
291 1 12 DT H3' 1 12 DT H6 5.500 3.800 7.200 5.265 4.177 5.846 . 0 0 "[ . 1]" 1
292 1 12 DT H2'' 1 13 DT H6 5.500 3.800 7.200 5.586 4.448 6.639 . 0 0 "[ . 1]" 1
293 1 12 DT H2' 1 13 DT H6 5.500 3.800 7.200 6.950 6.046 7.219 0.019 3 0 "[ . 1]" 1
294 1 12 DT H1' 1 13 DT H6 5.040 4.030 6.050 5.203 4.066 6.085 0.035 7 0 "[ . 1]" 1
295 1 12 DT H3' 1 13 DT H6 5.500 3.800 7.200 6.430 5.782 6.935 . 0 0 "[ . 1]" 1
296 1 13 DT C7 1 13 DT H6 3.020 2.420 4.120 2.660 2.657 2.661 . 0 0 "[ . 1]" 1
297 1 13 DT H2' 1 13 DT H6 3.170 2.540 3.800 3.309 2.957 3.813 0.013 1 0 "[ . 1]" 1
298 1 13 DT H2'' 1 13 DT H6 4.210 3.370 5.050 4.500 4.214 4.785 . 0 0 "[ . 1]" 1
299 1 13 DT H1' 1 13 DT H2' 3.530 2.820 4.240 3.024 2.993 3.033 . 0 0 "[ . 1]" 1
300 1 13 DT H1' 1 13 DT H2'' 3.020 2.420 3.620 2.458 2.375 2.619 0.045 2 0 "[ . 1]" 1
301 1 13 DT H1' 1 13 DT H3' 3.800 3.000 4.600 3.818 3.765 3.946 . 0 0 "[ . 1]" 1
302 1 13 DT H1' 1 13 DT H6 4.180 3.340 5.020 3.548 3.350 3.653 . 0 0 "[ . 1]" 1
303 1 13 DT H1' 1 13 DT H4' 2.700 . 3.600 3.057 2.863 3.636 0.036 7 0 "[ . 1]" 1
304 1 13 DT H4' 1 13 DT H6 5.500 3.800 7.200 4.189 3.778 4.285 0.022 7 0 "[ . 1]" 1
305 1 13 DT H3' 1 13 DT H4' 2.700 . 3.600 2.835 2.697 2.891 . 0 0 "[ . 1]" 1
306 1 13 DT H2' 1 13 DT H3' 2.700 . 3.600 2.342 2.319 2.364 . 0 0 "[ . 1]" 1
307 1 13 DT H2'' 1 13 DT H3' 2.700 . 3.600 2.669 2.372 2.794 . 0 0 "[ . 1]" 1
308 1 13 DT H2' 1 13 DT H4' 3.800 3.000 4.600 3.847 3.813 3.877 . 0 0 "[ . 1]" 1
309 1 13 DT H2'' 1 13 DT H4' 3.800 3.000 4.600 3.918 3.823 4.069 . 0 0 "[ . 1]" 1
310 1 13 DT H3' 1 13 DT H6 5.080 4.060 6.100 4.676 4.398 5.021 . 0 0 "[ . 1]" 1
311 1 13 DT H2' 1 14 DA H8 3.740 2.990 4.490 3.799 3.239 4.522 0.032 2 0 "[ . 1]" 1
312 1 13 DT H2'' 1 14 DA H8 3.190 2.550 3.830 2.734 2.540 3.257 0.010 9 0 "[ . 1]" 1
313 1 13 DT H1' 1 14 DA H8 3.800 3.000 4.600 4.480 3.904 4.617 0.017 3 0 "[ . 1]" 1
314 1 13 DT H4' 1 14 DA H8 5.500 3.800 7.200 6.500 6.285 6.939 . 0 0 "[ . 1]" 1
315 1 13 DT H3' 1 14 DA H8 4.710 3.770 5.650 4.992 4.550 5.548 . 0 0 "[ . 1]" 1
316 1 13 DT C7 1 24 DA H2 5.500 3.800 7.700 6.243 5.852 6.661 . 0 0 "[ . 1]" 1
317 1 14 DA H1' 1 14 DA H2' 3.310 2.650 3.970 3.022 3.001 3.029 . 0 0 "[ . 1]" 1
318 1 14 DA H1' 1 14 DA H2'' 2.850 2.280 3.420 2.409 2.278 2.466 0.002 6 0 "[ . 1]" 1
319 1 14 DA H1' 1 14 DA H3' 3.800 3.000 4.600 3.836 3.802 3.913 . 0 0 "[ . 1]" 1
320 1 14 DA H2' 1 14 DA H8 3.280 2.300 4.260 3.386 2.648 4.028 . 0 0 "[ . 1]" 1
321 1 14 DA H2'' 1 14 DA H8 4.500 . 7.200 4.574 4.087 4.967 . 0 0 "[ . 1]" 1
322 1 14 DA H1' 1 14 DA H4' 2.700 . 3.600 3.172 2.775 3.557 . 0 0 "[ . 1]" 1
323 1 14 DA H4' 1 14 DA H8 5.500 3.800 7.200 4.541 4.279 4.765 . 0 0 "[ . 1]" 1
324 1 14 DA H1' 1 14 DA H8 4.590 3.210 5.970 3.748 3.535 3.914 . 0 0 "[ . 1]" 1
325 1 14 DA H3' 1 14 DA H4' 2.700 . 3.600 2.811 2.717 2.966 . 0 0 "[ . 1]" 1
326 1 14 DA H2'' 1 14 DA H3' 2.700 . 3.600 2.725 2.636 2.952 . 0 0 "[ . 1]" 1
327 1 14 DA H2' 1 14 DA H3' 2.700 . 3.600 2.346 2.279 2.375 . 0 0 "[ . 1]" 1
328 1 14 DA H2' 1 14 DA H4' 3.800 3.000 4.600 3.839 3.792 3.898 . 0 0 "[ . 1]" 1
329 1 14 DA H2'' 1 14 DA H4' 3.800 3.000 4.600 3.967 3.599 4.114 . 0 0 "[ . 1]" 1
330 1 14 DA H3' 1 14 DA H8 5.500 3.800 7.200 4.894 4.551 5.428 . 0 0 "[ . 1]" 1
331 1 14 DA H2 1 24 DA H2'' 5.500 3.800 7.200 6.311 5.552 7.209 0.009 6 0 "[ . 1]" 1
332 1 14 DA H2 1 24 DA H2' 5.500 3.800 7.200 5.298 4.470 5.969 . 0 0 "[ . 1]" 1
333 1 15 DG H1' 1 15 DG H2'' 3.130 2.500 3.760 2.466 2.435 2.494 0.065 2 0 "[ . 1]" 1
334 1 15 DG H1' 1 15 DG H2' 2.700 . 3.600 2.860 2.715 2.987 . 0 0 "[ . 1]" 1
335 1 15 DG H1' 1 15 DG H3' 3.800 3.000 4.600 3.897 3.868 3.946 . 0 0 "[ . 1]" 1
336 1 15 DG H2' 1 15 DG H8 3.800 3.000 4.600 3.492 2.897 4.428 0.103 2 0 "[ . 1]" 1
337 1 15 DG H2'' 1 15 DG H8 3.800 3.000 4.600 4.072 3.627 4.619 0.019 5 0 "[ . 1]" 1
338 1 15 DG H1' 1 15 DG H4' 2.700 . 3.600 3.163 2.738 3.607 0.007 10 0 "[ . 1]" 1
339 1 15 DG H4' 1 15 DG H8 5.500 3.800 7.200 5.612 5.104 5.984 . 0 0 "[ . 1]" 1
340 1 15 DG H3' 1 15 DG H4' 2.700 . 3.600 2.983 2.718 3.031 . 0 0 "[ . 1]" 1
341 1 15 DG H2' 1 15 DG H3' 2.700 . 3.600 2.302 2.261 2.334 . 0 0 "[ . 1]" 1
342 1 15 DG H2'' 1 15 DG H3' 3.250 2.600 3.900 2.861 2.561 2.990 0.039 10 0 "[ . 1]" 1
343 1 15 DG H2'' 1 15 DG H4' 3.800 3.000 4.600 3.163 2.936 4.024 0.064 2 0 "[ . 1]" 1
344 1 15 DG H1' 1 15 DG H8 2.700 . 3.600 2.749 2.593 2.899 . 0 0 "[ . 1]" 1
345 1 15 DG H8 1 16 DG H1' 5.500 3.800 7.200 4.991 4.354 5.489 . 0 0 "[ . 1]" 1
346 1 15 DG H3' 1 16 DG H8 5.500 3.800 7.200 7.215 6.888 7.356 0.156 5 0 "[ . 1]" 1
347 1 16 DG H1' 1 16 DG H2'' 3.060 2.450 3.670 2.430 2.380 2.501 0.070 8 0 "[ . 1]" 1
348 1 16 DG H1' 1 16 DG H2' 2.700 . 3.600 3.033 3.029 3.039 . 0 0 "[ . 1]" 1
349 1 16 DG H1' 1 16 DG H3' 3.800 3.000 4.600 3.757 3.709 3.785 . 0 0 "[ . 1]" 1
350 1 16 DG H2'' 1 16 DG H8 4.790 3.350 6.230 4.035 3.402 4.328 . 0 0 "[ . 1]" 1
351 1 16 DG H2' 1 16 DG H8 5.500 3.800 7.200 4.515 4.257 4.647 . 0 0 "[ . 1]" 1
352 1 16 DG H1' 1 16 DG H4' 2.700 . 3.600 2.863 2.528 2.995 . 0 0 "[ . 1]" 1
353 1 16 DG H4' 1 16 DG H8 5.500 3.800 7.200 5.248 4.842 5.582 . 0 0 "[ . 1]" 1
354 1 16 DG H3' 1 16 DG H4' 2.700 . 3.600 2.862 2.805 2.955 . 0 0 "[ . 1]" 1
355 1 16 DG H2'' 1 16 DG H3' 2.700 . 3.600 2.767 2.641 2.869 . 0 0 "[ . 1]" 1
356 1 16 DG H2' 1 16 DG H3' 2.700 . 3.600 2.351 2.314 2.392 . 0 0 "[ . 1]" 1
357 1 16 DG H1' 1 16 DG H8 2.700 . 3.600 2.575 2.551 2.642 . 0 0 "[ . 1]" 1
358 1 16 DG H3' 1 16 DG H8 5.500 3.800 7.200 6.045 5.846 6.091 . 0 0 "[ . 1]" 1
359 1 16 DG H2'' 1 17 DG H8 2.890 2.020 3.760 2.238 2.175 2.475 . 0 0 "[ . 1]" 1
360 1 16 DG H2' 1 17 DG H8 2.700 . 3.600 2.700 2.419 2.916 . 0 0 "[ . 1]" 1
361 1 16 DG H8 1 17 DG H2' 5.500 3.800 7.200 5.877 5.133 6.368 . 0 0 "[ . 1]" 1
362 1 16 DG H1' 1 17 DG H8 5.050 4.040 6.060 4.111 4.012 4.286 0.028 10 0 "[ . 1]" 1
363 1 16 DG H8 1 17 DG H8 5.500 3.800 7.200 4.536 4.046 4.824 . 0 0 "[ . 1]" 1
364 1 16 DG H3' 1 17 DG H8 5.670 4.540 6.800 4.488 4.388 4.668 0.152 8 0 "[ . 1]" 1
365 1 17 DG H1' 1 17 DG H3' 3.800 3.000 4.600 3.869 3.825 3.899 . 0 0 "[ . 1]" 1
366 1 17 DG H2'' 1 17 DG H8 3.800 3.000 4.600 4.096 3.837 4.608 0.008 3 0 "[ . 1]" 1
367 1 17 DG H2' 1 17 DG H8 2.700 . 3.600 2.756 2.476 3.212 . 0 0 "[ . 1]" 1
368 1 17 DG H1' 1 17 DG H2'' 2.700 . 3.600 2.247 2.170 2.514 . 0 0 "[ . 1]" 1
369 1 17 DG H1' 1 17 DG H2' 2.700 . 3.600 3.014 3.004 3.026 . 0 0 "[ . 1]" 1
370 1 17 DG H1' 1 17 DG H4' 2.700 . 3.600 2.816 2.695 2.959 . 0 0 "[ . 1]" 1
371 1 17 DG H4' 1 17 DG H8 5.500 3.800 7.200 4.823 4.627 4.958 . 0 0 "[ . 1]" 1
372 1 17 DG H3' 1 17 DG H4' 2.700 . 3.600 2.933 2.884 2.965 . 0 0 "[ . 1]" 1
373 1 17 DG H1' 1 17 DG H8 3.800 3.000 4.600 3.887 3.820 3.906 . 0 0 "[ . 1]" 1
374 1 17 DG H2'' 1 17 DG H3' 2.700 . 3.600 2.956 2.652 3.048 . 0 0 "[ . 1]" 1
375 1 17 DG H2' 1 17 DG H3' 2.700 . 3.600 2.297 2.286 2.319 . 0 0 "[ . 1]" 1
376 1 17 DG H2'' 1 17 DG H4' 3.800 3.000 4.600 3.716 3.590 3.882 . 0 0 "[ . 1]" 1
377 1 17 DG H2' 1 17 DG H4' 3.800 3.000 4.600 3.888 3.871 3.905 . 0 0 "[ . 1]" 1
378 1 17 DG H3' 1 17 DG H8 5.150 4.120 6.180 4.211 4.095 4.404 0.025 9 0 "[ . 1]" 1
379 1 17 DG H1' 1 18 DT H2' 5.500 3.800 7.200 5.700 4.109 6.664 . 0 0 "[ . 1]" 1
380 1 17 DG H1' 1 18 DT C7 4.150 3.320 5.480 4.844 4.449 5.315 . 0 0 "[ . 1]" 1
381 1 17 DG H1' 1 18 DT H6 5.150 4.120 6.180 5.233 4.266 5.836 . 0 0 "[ . 1]" 1
382 1 17 DG H2'' 1 18 DT H6 5.500 3.800 7.200 3.884 3.784 4.600 0.016 8 0 "[ . 1]" 1
383 1 17 DG H3' 1 18 DT H2' 5.500 3.800 7.200 4.586 3.796 5.245 0.004 1 0 "[ . 1]" 1
384 1 17 DG H4' 1 18 DT C7 4.180 3.340 5.520 5.489 5.265 5.600 0.080 9 0 "[ . 1]" 1
385 1 17 DG H2'' 1 18 DT H4' 5.500 3.800 7.200 6.458 5.598 7.205 0.005 3 0 "[ . 1]" 1
386 1 17 DG H3' 1 18 DT H6 5.500 3.800 7.200 4.737 4.053 5.373 . 0 0 "[ . 1]" 1
387 1 17 DG H1' 1 20 DA H8 5.500 3.800 7.200 5.900 5.564 6.175 . 0 0 "[ . 1]" 1
388 1 17 DG H8 1 20 DA H2'' 5.500 3.800 7.200 3.836 3.712 4.034 0.088 2 0 "[ . 1]" 1
389 1 17 DG H8 1 20 DA H2' 5.500 3.800 7.200 3.735 3.708 3.756 0.092 9 0 "[ . 1]" 1
390 1 17 DG H2' 1 20 DA H8 3.800 3.000 4.600 3.354 2.998 3.690 0.002 3 0 "[ . 1]" 1
391 1 17 DG H2'' 1 20 DA H8 3.800 3.000 4.600 4.442 4.028 4.617 0.017 9 0 "[ . 1]" 1
392 1 17 DG H8 1 20 DA H1' 5.500 3.800 7.200 5.215 4.983 5.405 . 0 0 "[ . 1]" 1
393 1 17 DG H8 1 20 DA H8 4.650 3.720 5.580 3.985 3.695 4.610 0.025 5 0 "[ . 1]" 1
394 1 17 DG H3' 1 20 DA H8 5.500 3.800 7.200 5.110 4.304 5.492 . 0 0 "[ . 1]" 1
395 1 18 DT C7 1 18 DT H6 2.980 2.380 4.080 2.657 2.651 2.660 . 0 0 "[ . 1]" 1
396 1 18 DT H2' 1 18 DT H6 2.960 2.370 3.550 2.803 2.353 3.561 0.017 3 0 "[ . 1]" 1
397 1 18 DT H2'' 1 18 DT H6 3.560 2.850 4.270 4.117 3.873 4.355 0.085 9 0 "[ . 1]" 1
398 1 18 DT H1' 1 18 DT H2' 3.250 2.600 3.900 3.022 3.012 3.035 . 0 0 "[ . 1]" 1
399 1 18 DT H1' 1 18 DT H2'' 2.830 2.260 3.400 2.350 2.191 2.435 0.069 9 0 "[ . 1]" 1
400 1 18 DT H1' 1 18 DT H3' 3.800 3.000 4.600 3.842 3.796 3.885 . 0 0 "[ . 1]" 1
401 1 18 DT H1' 1 18 DT H6 4.370 3.500 5.240 3.663 3.453 3.730 0.047 9 0 "[ . 1]" 1
402 1 18 DT H1' 1 18 DT H4' 2.700 . 3.600 3.310 2.920 3.523 . 0 0 "[ . 1]" 1
403 1 18 DT H4' 1 18 DT H6 4.570 3.200 5.940 4.197 3.964 4.358 . 0 0 "[ . 1]" 1
404 1 18 DT H2' 1 18 DT H3' 2.700 . 3.600 2.363 2.333 2.374 . 0 0 "[ . 1]" 1
405 1 18 DT H2'' 1 18 DT H3' 2.700 . 3.600 2.766 2.673 3.006 . 0 0 "[ . 1]" 1
406 1 18 DT H2' 1 18 DT H4' 3.800 3.000 4.600 3.822 3.798 3.851 . 0 0 "[ . 1]" 1
407 1 18 DT H2'' 1 18 DT H4' 3.800 3.000 4.600 4.062 3.935 4.162 . 0 0 "[ . 1]" 1
408 1 18 DT H3' 1 18 DT H6 5.080 4.060 6.100 4.360 4.045 4.869 0.015 7 0 "[ . 1]" 1
409 1 18 DT H1' 1 19 DT C7 4.560 3.650 5.970 5.617 4.799 6.006 0.036 2 0 "[ . 1]" 1
410 1 18 DT H2' 1 19 DT H6 5.500 3.800 7.200 5.411 4.766 5.985 . 0 0 "[ . 1]" 1
411 1 18 DT H2'' 1 19 DT H6 4.770 3.820 5.720 4.135 3.783 4.400 0.037 2 0 "[ . 1]" 1
412 1 18 DT H1' 1 19 DT H6 5.500 3.800 7.200 5.552 4.805 5.951 . 0 0 "[ . 1]" 1
413 1 18 DT H3' 1 19 DT H6 5.160 4.130 6.190 4.580 4.118 5.693 0.012 9 0 "[ . 1]" 1
414 1 18 DT H3' 1 20 DA H8 5.500 3.800 7.200 5.225 4.259 6.117 . 0 0 "[ . 1]" 1
415 1 18 DT H2' 1 20 DA H8 5.500 3.800 7.200 5.171 4.611 5.787 . 0 0 "[ . 1]" 1
416 1 18 DT H2'' 1 20 DA H8 5.500 3.800 7.200 5.746 4.687 6.793 . 0 0 "[ . 1]" 1
417 1 19 DT H2' 1 19 DT H6 3.100 2.480 3.720 2.631 2.478 2.827 0.002 1 0 "[ . 1]" 1
418 1 19 DT H2'' 1 19 DT H6 3.790 3.030 4.550 3.868 3.754 4.019 . 0 0 "[ . 1]" 1
419 1 19 DT C7 1 19 DT H6 2.960 2.370 4.050 2.658 2.655 2.659 . 0 0 "[ . 1]" 1
420 1 19 DT H1' 1 19 DT H2' 3.530 2.820 4.240 3.027 3.017 3.032 . 0 0 "[ . 1]" 1
421 1 19 DT H1' 1 19 DT H2'' 2.700 . 3.600 2.189 2.178 2.195 . 0 0 "[ . 1]" 1
422 1 19 DT H1' 1 19 DT H3' 3.800 3.000 4.600 3.815 3.789 3.868 . 0 0 "[ . 1]" 1
423 1 19 DT H3' 1 19 DT H4' 2.700 . 3.600 2.757 2.720 2.790 . 0 0 "[ . 1]" 1
424 1 19 DT H1' 1 19 DT H4' 2.700 . 3.600 3.305 3.188 3.481 . 0 0 "[ . 1]" 1
425 1 19 DT H2' 1 19 DT H3' 2.700 . 3.600 2.375 2.365 2.382 . 0 0 "[ . 1]" 1
426 1 19 DT H2'' 1 19 DT H3' 2.700 . 3.600 2.946 2.909 2.967 . 0 0 "[ . 1]" 1
427 1 19 DT H2' 1 19 DT H4' 3.800 3.000 4.600 3.804 3.786 3.826 . 0 0 "[ . 1]" 1
428 1 19 DT H1' 1 19 DT H6 4.860 3.400 6.320 3.706 3.679 3.727 . 0 0 "[ . 1]" 1
429 1 19 DT H3' 1 19 DT H6 5.380 4.300 6.460 4.324 4.267 4.484 0.033 1 0 "[ . 1]" 1
430 1 19 DT H2' 1 20 DA H8 3.890 3.110 4.670 4.060 3.098 4.597 0.012 5 0 "[ . 1]" 1
431 1 19 DT H2'' 1 20 DA H8 3.580 2.860 4.300 3.067 2.835 3.602 0.025 5 0 "[ . 1]" 1
432 1 19 DT H1' 1 20 DA H8 5.130 4.100 6.160 4.956 4.530 5.593 . 0 0 "[ . 1]" 1
433 1 19 DT H6 1 20 DA H8 5.500 3.800 7.200 6.360 5.266 6.953 . 0 0 "[ . 1]" 1
434 1 19 DT H1' 1 20 DA H4' 3.800 3.000 4.600 4.640 4.615 4.654 0.054 9 0 "[ . 1]" 1
435 1 19 DT H3' 1 20 DA H8 5.330 4.260 6.400 4.750 4.225 5.645 0.035 5 0 "[ . 1]" 1
436 1 20 DA H1' 1 20 DA H8 5.040 4.030 6.050 3.915 3.908 3.921 0.122 5 0 "[ . 1]" 1
437 1 20 DA H1' 1 20 DA H2'' 2.900 2.030 3.770 2.496 2.179 2.655 . 0 0 "[ . 1]" 1
438 1 20 DA H1' 1 20 DA H2' 3.280 2.290 4.270 3.017 2.998 3.038 . 0 0 "[ . 1]" 1
439 1 20 DA H1' 1 20 DA H2 5.500 3.800 7.200 4.500 4.484 4.523 . 0 0 "[ . 1]" 1
440 1 20 DA H1' 1 20 DA H3' 3.800 3.000 4.600 3.884 3.791 3.960 . 0 0 "[ . 1]" 1
441 1 20 DA H2'' 1 20 DA H8 2.990 2.090 3.890 3.737 3.655 3.820 . 0 0 "[ . 1]" 1
442 1 20 DA H2' 1 20 DA H8 2.770 . 3.600 2.180 2.144 2.203 . 0 0 "[ . 1]" 1
443 1 20 DA H1' 1 20 DA H4' 2.700 . 3.600 3.463 3.154 3.649 0.049 10 0 "[ . 1]" 1
444 1 20 DA H4' 1 20 DA H8 5.500 3.800 7.200 4.937 4.721 5.196 . 0 0 "[ . 1]" 1
445 1 20 DA H3' 1 20 DA H4' 2.700 . 3.600 2.732 2.690 2.805 . 0 0 "[ . 1]" 1
446 1 20 DA H2'' 1 20 DA H3' 2.700 . 3.600 2.524 2.269 2.891 . 0 0 "[ . 1]" 1
447 1 20 DA H2' 1 20 DA H3' 2.700 . 3.600 2.355 2.341 2.361 . 0 0 "[ . 1]" 1
448 1 20 DA H2'' 1 20 DA H4' 3.800 3.000 4.600 3.996 3.825 4.118 . 0 0 "[ . 1]" 1
449 1 20 DA H2' 1 20 DA H4' 3.800 3.000 4.600 3.814 3.794 3.850 . 0 0 "[ . 1]" 1
450 1 20 DA H3' 1 20 DA H8 4.570 3.660 5.480 4.253 4.049 4.426 . 0 0 "[ . 1]" 1
451 1 21 DG H1' 1 21 DG H2'' 3.200 2.560 3.840 2.503 2.458 2.593 0.102 4 0 "[ . 1]" 1
452 1 21 DG H1' 1 21 DG H2' 3.670 2.940 4.400 3.028 3.019 3.034 . 0 0 "[ . 1]" 1
453 1 21 DG H1' 1 21 DG H3' 3.800 3.000 4.600 3.811 3.769 3.845 . 0 0 "[ . 1]" 1
454 1 21 DG H2'' 1 21 DG H8 5.000 3.500 6.500 4.285 4.068 4.558 . 0 0 "[ . 1]" 1
455 1 21 DG H1' 1 21 DG H4' 2.700 . 3.600 2.650 2.501 3.052 . 0 0 "[ . 1]" 1
456 1 21 DG H4' 1 21 DG H8 5.500 3.800 7.200 5.053 4.951 5.390 . 0 0 "[ . 1]" 1
457 1 21 DG H3' 1 21 DG H4' 2.700 . 3.600 2.941 2.831 2.996 . 0 0 "[ . 1]" 1
458 1 21 DG H2' 1 21 DG H3' 2.930 2.050 3.810 2.309 2.290 2.343 . 0 0 "[ . 1]" 1
459 1 21 DG H2' 1 21 DG H4' 3.800 3.000 4.600 3.844 3.828 3.850 . 0 0 "[ . 1]" 1
460 1 21 DG H2'' 1 21 DG H3' 2.700 . 3.600 2.706 2.433 2.828 . 0 0 "[ . 1]" 1
461 1 21 DG H2'' 1 21 DG H4' 3.800 3.000 4.600 3.653 3.448 3.913 . 0 0 "[ . 1]" 1
462 1 21 DG H1' 1 21 DG H8 2.700 . 3.600 2.579 2.568 2.591 . 0 0 "[ . 1]" 1
463 1 21 DG H3' 1 21 DG H8 5.500 3.800 7.200 6.066 5.992 6.128 . 0 0 "[ . 1]" 1
464 1 21 DG H2' 1 22 DG H8 3.550 2.840 4.260 2.852 2.788 2.961 0.052 6 0 "[ . 1]" 1
465 1 21 DG H2'' 1 22 DG H8 3.020 2.420 3.620 2.474 2.389 2.946 0.031 7 0 "[ . 1]" 1
466 1 21 DG H1' 1 22 DG H8 5.370 4.300 6.440 4.573 4.288 4.975 0.012 2 0 "[ . 1]" 1
467 1 21 DG H2'' 1 22 DG H4' 3.800 3.000 4.600 4.077 3.793 4.454 . 0 0 "[ . 1]" 1
468 1 21 DG H2' 1 22 DG H4' 5.500 3.800 7.200 5.703 5.462 5.871 . 0 0 "[ . 1]" 1
469 1 21 DG H3' 1 22 DG H8 4.500 3.600 5.400 4.412 4.228 4.674 . 0 0 "[ . 1]" 1
470 1 22 DG H2' 1 22 DG H8 2.890 2.310 3.470 2.553 2.340 2.741 . 0 0 "[ . 1]" 1
471 1 22 DG H2'' 1 22 DG H8 3.210 2.250 4.170 4.094 3.801 4.288 0.118 4 0 "[ . 1]" 1
472 1 22 DG H1' 1 22 DG H2'' 3.090 2.470 3.710 2.542 2.452 2.589 0.018 1 0 "[ . 1]" 1
473 1 22 DG H1' 1 22 DG H2' 2.700 . 3.600 3.023 3.014 3.034 . 0 0 "[ . 1]" 1
474 1 22 DG H1' 1 22 DG H3' 3.800 3.000 4.600 3.834 3.743 3.876 . 0 0 "[ . 1]" 1
475 1 22 DG H1' 1 22 DG H8 3.800 3.000 4.600 3.909 3.879 3.917 . 0 0 "[ . 1]" 1
476 1 22 DG H1' 1 22 DG H4' 2.700 . 3.600 3.008 2.797 3.269 . 0 0 "[ . 1]" 1
477 1 22 DG H4' 1 22 DG H8 5.500 3.800 7.200 4.883 4.627 5.043 . 0 0 "[ . 1]" 1
478 1 22 DG H3' 1 22 DG H4' 2.700 . 3.600 2.860 2.780 2.942 . 0 0 "[ . 1]" 1
479 1 22 DG H2' 1 22 DG H3' 2.700 . 3.600 2.325 2.293 2.372 . 0 0 "[ . 1]" 1
480 1 22 DG H2'' 1 22 DG H3' 2.700 . 3.600 2.554 2.422 2.728 . 0 0 "[ . 1]" 1
481 1 22 DG H2' 1 22 DG H4' 3.800 3.000 4.600 3.862 3.792 3.899 . 0 0 "[ . 1]" 1
482 1 22 DG H2'' 1 22 DG H4' 3.800 3.000 4.600 3.801 3.631 3.997 . 0 0 "[ . 1]" 1
483 1 22 DG H3' 1 22 DG H8 5.190 4.150 6.230 4.327 4.133 4.528 0.017 6 0 "[ . 1]" 1
484 1 22 DG H2'' 1 23 DG H8 3.270 2.620 3.920 2.588 2.547 2.613 0.073 10 0 "[ . 1]" 1
485 1 22 DG H2' 1 23 DG H8 3.800 3.000 4.600 3.705 3.206 4.173 . 0 0 "[ . 1]" 1
486 1 22 DG H1' 1 23 DG H8 4.510 3.610 5.410 3.854 3.644 4.274 . 0 0 "[ . 1]" 1
487 1 22 DG H8 1 23 DG H8 4.640 3.710 5.570 5.409 4.845 5.604 0.034 9 0 "[ . 1]" 1
488 1 22 DG H3' 1 23 DG H8 4.280 3.420 5.140 5.014 4.850 5.147 0.007 1 0 "[ . 1]" 1
489 1 23 DG H2' 1 23 DG H8 2.700 . 3.600 2.524 2.328 2.891 . 0 0 "[ . 1]" 1
490 1 23 DG H2'' 1 23 DG H8 3.800 3.000 4.600 4.000 3.641 4.318 . 0 0 "[ . 1]" 1
491 1 23 DG H1' 1 23 DG H2' 3.280 2.620 3.940 3.029 3.023 3.035 . 0 0 "[ . 1]" 1
492 1 23 DG H1' 1 23 DG H2'' 2.920 2.340 3.500 2.468 2.323 2.621 0.017 1 0 "[ . 1]" 1
493 1 23 DG H1' 1 23 DG H3' 3.800 3.000 4.600 3.824 3.773 3.866 . 0 0 "[ . 1]" 1
494 1 23 DG H1' 1 23 DG H4' 2.700 . 3.600 3.002 2.677 3.351 . 0 0 "[ . 1]" 1
495 1 23 DG H4' 1 23 DG H8 5.500 3.800 7.200 4.942 4.670 5.148 . 0 0 "[ . 1]" 1
496 1 23 DG H3' 1 23 DG H4' 2.700 . 3.600 2.853 2.753 2.943 . 0 0 "[ . 1]" 1
497 1 23 DG H2' 1 23 DG H3' 2.700 . 3.600 2.333 2.304 2.363 . 0 0 "[ . 1]" 1
498 1 23 DG H2'' 1 23 DG H3' 2.700 . 3.600 2.652 2.318 2.904 . 0 0 "[ . 1]" 1
499 1 23 DG H1' 1 23 DG H8 5.060 4.050 6.070 3.939 3.920 3.947 0.130 1 0 "[ . 1]" 1
500 1 23 DG H3' 1 23 DG H8 5.500 3.800 7.200 4.402 4.229 4.540 . 0 0 "[ . 1]" 1
501 1 23 DG H2' 1 24 DA H8 3.800 3.000 4.600 4.056 3.430 4.459 . 0 0 "[ . 1]" 1
502 1 23 DG H1' 1 24 DA H8 4.390 3.510 5.270 4.823 4.569 5.198 . 0 0 "[ . 1]" 1
503 1 23 DG H2'' 1 24 DA H8 3.800 3.000 4.600 3.000 2.957 3.216 0.043 8 0 "[ . 1]" 1
504 1 23 DG H3' 1 24 DA H8 4.790 3.350 6.230 5.219 4.464 5.666 . 0 0 "[ . 1]" 1
505 1 24 DA H1' 1 24 DA H2'' 2.760 2.210 3.310 2.405 2.290 2.451 . 0 0 "[ . 1]" 1
506 1 24 DA H1' 1 24 DA H2' 3.470 2.780 4.160 3.020 2.995 3.031 . 0 0 "[ . 1]" 1
507 1 24 DA H1' 1 24 DA H3' 3.800 3.000 4.600 3.828 3.771 3.935 . 0 0 "[ . 1]" 1
508 1 24 DA H2'' 1 24 DA H8 3.450 2.760 4.140 3.632 3.376 3.992 . 0 0 "[ . 1]" 1
509 1 24 DA H2' 1 24 DA H8 2.820 . 3.670 2.228 2.157 2.478 . 0 0 "[ . 1]" 1
510 1 24 DA H1' 1 24 DA H4' 2.700 . 3.600 3.370 3.164 3.663 0.063 9 0 "[ . 1]" 1
511 1 24 DA H1' 1 24 DA H8 3.690 2.950 4.430 3.894 3.881 3.917 . 0 0 "[ . 1]" 1
512 1 24 DA H4' 1 24 DA H8 5.500 3.800 7.200 4.946 4.593 5.196 . 0 0 "[ . 1]" 1
513 1 24 DA H3' 1 24 DA H4' 2.700 . 3.600 2.740 2.681 2.787 . 0 0 "[ . 1]" 1
514 1 24 DA H2'' 1 24 DA H3' 2.700 . 3.600 2.693 2.636 2.855 . 0 0 "[ . 1]" 1
515 1 24 DA H2' 1 24 DA H3' 2.700 . 3.600 2.351 2.342 2.361 . 0 0 "[ . 1]" 1
516 1 24 DA H1' 1 24 DA H2 5.820 4.070 7.570 4.499 4.444 4.523 . 0 0 "[ . 1]" 1
517 1 24 DA H3' 1 24 DA H8 4.790 3.350 6.230 4.330 4.098 4.428 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 255
_Distance_constraint_stats_list.Viol_total 36.043
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 0.028 0.009 8 0 "[ . 1]"
1 3 DG 0.288 0.024 8 0 "[ . 1]"
1 4 LCG 0.441 0.033 5 0 "[ . 1]"
1 5 DG 0.406 0.045 7 0 "[ . 1]"
1 9 DG 0.416 0.036 8 0 "[ . 1]"
1 10 DG 0.690 0.045 5 0 "[ . 1]"
1 11 DG 0.919 0.061 9 0 "[ . 1]"
1 13 DT 0.239 0.053 4 0 "[ . 1]"
1 15 DG 1.037 0.061 9 0 "[ . 1]"
1 16 DG 0.588 0.045 5 0 "[ . 1]"
1 17 DG 0.578 0.054 2 0 "[ . 1]"
1 20 DA 0.028 0.009 8 0 "[ . 1]"
1 21 DG 0.449 0.054 2 0 "[ . 1]"
1 22 DG 0.339 0.029 7 0 "[ . 1]"
1 23 DG 0.523 0.043 4 0 "[ . 1]"
1 24 DA 0.239 0.053 4 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 1 DT H3 1 20 DA N1 1.990 . 2.090 1.994 1.910 2.093 0.003 3 0 "[ . 1]" 2
2 1 1 DT N3 1 20 DA N1 2.990 2.890 3.090 2.975 2.886 3.090 0.004 4 0 "[ . 1]" 2
3 1 1 DT O4 1 20 DA H61 1.990 . 2.090 2.013 1.923 2.099 0.009 8 0 "[ . 1]" 2
4 1 1 DT O4 1 20 DA N6 2.990 2.890 3.090 2.978 2.887 3.089 0.003 2 0 "[ . 1]" 2
5 1 13 DT O2 1 24 DA H61 1.990 . 2.090 1.948 1.881 2.115 0.025 4 0 "[ . 1]" 2
6 1 13 DT O2 1 24 DA N6 2.990 2.890 3.090 2.877 2.837 2.893 0.053 4 0 "[ . 1]" 2
7 1 13 DT H3 1 24 DA N1 1.990 . 2.090 2.057 1.939 2.101 0.011 4 0 "[ . 1]" 2
8 1 13 DT N3 1 24 DA N1 2.990 2.890 3.090 3.023 2.885 3.101 0.011 9 0 "[ . 1]" 2
9 1 3 DG N7 1 9 DG H21 1.990 . 2.090 2.060 2.036 2.101 0.011 8 0 "[ . 1]" 2
10 1 3 DG N7 1 9 DG N2 2.900 2.800 3.000 3.007 2.996 3.014 0.014 6 0 "[ . 1]" 2
11 1 3 DG O6 1 9 DG H1 1.950 . 2.050 1.954 1.907 1.995 . 0 0 "[ . 1]" 2
12 1 3 DG O6 1 9 DG N1 2.950 2.850 3.050 2.863 2.842 2.921 0.008 10 0 "[ . 1]" 2
13 1 3 DG H21 1 21 DG N7 1.990 . 2.090 1.916 1.866 2.066 0.024 8 0 "[ . 1]" 2
14 1 3 DG N2 1 21 DG N7 2.900 2.800 3.000 2.891 2.834 3.004 0.004 6 0 "[ . 1]" 2
15 1 3 DG H1 1 21 DG O6 1.950 . 2.050 2.057 2.046 2.071 0.021 8 0 "[ . 1]" 2
16 1 3 DG N1 1 21 DG O6 2.950 2.850 3.050 3.043 3.027 3.056 0.006 2 0 "[ . 1]" 2
17 1 17 DG N7 1 21 DG H21 1.990 . 2.090 2.001 1.908 2.050 . 0 0 "[ . 1]" 2
18 1 17 DG N7 1 21 DG N2 2.900 2.800 3.000 3.003 2.917 3.054 0.054 2 0 "[ . 1]" 2
19 1 17 DG O6 1 21 DG H1 1.950 . 2.050 2.065 2.053 2.077 0.027 8 0 "[ . 1]" 2
20 1 17 DG O6 1 21 DG N1 2.950 2.850 3.050 3.014 2.992 3.051 0.001 8 0 "[ . 1]" 2
21 1 9 DG N7 1 17 DG H21 1.990 . 2.090 1.875 1.854 1.958 0.036 8 0 "[ . 1]" 2
22 1 9 DG N7 1 17 DG N2 2.900 2.800 3.000 2.857 2.787 2.947 0.013 8 0 "[ . 1]" 2
23 1 9 DG O6 1 17 DG H1 1.950 . 2.050 2.021 1.930 2.072 0.022 8 0 "[ . 1]" 2
24 1 9 DG O6 1 17 DG N1 2.950 2.850 3.050 2.965 2.847 3.020 0.003 1 0 "[ . 1]" 2
25 1 4 LCG H21 1 10 DG N7 1.990 . 2.090 1.885 1.857 1.994 0.033 5 0 "[ . 1]" 2
26 1 4 LCG N2 1 10 DG N7 2.900 2.800 3.000 2.885 2.851 3.002 0.002 6 0 "[ . 1]" 2
27 1 4 LCG H1 1 10 DG O6 1.950 . 2.050 2.068 2.052 2.078 0.028 3 0 "[ . 1]" 2
28 1 4 LCG N1 1 10 DG O6 2.950 2.850 3.050 2.958 2.911 3.000 . 0 0 "[ . 1]" 2
29 1 10 DG H21 1 16 DG N7 1.990 . 2.090 2.058 2.037 2.097 0.007 5 0 "[ . 1]" 2
30 1 10 DG N2 1 16 DG N7 2.900 2.800 3.000 3.030 3.015 3.045 0.045 5 0 "[ . 1]" 2
31 1 10 DG H1 1 16 DG O6 1.950 . 2.050 2.010 1.917 2.060 0.010 9 0 "[ . 1]" 2
32 1 10 DG N1 1 16 DG O6 2.950 2.850 3.050 3.005 2.924 3.058 0.008 9 0 "[ . 1]" 2
33 1 16 DG H21 1 22 DG N7 1.990 . 2.090 2.025 1.979 2.060 . 0 0 "[ . 1]" 2
34 1 16 DG N2 1 22 DG N7 2.900 2.800 3.000 2.990 2.952 3.021 0.021 2 0 "[ . 1]" 2
35 1 16 DG H1 1 22 DG O6 1.950 . 2.050 2.068 2.057 2.079 0.029 7 0 "[ . 1]" 2
36 1 16 DG N1 1 22 DG O6 2.950 2.850 3.050 2.970 2.933 3.011 . 0 0 "[ . 1]" 2
37 1 4 LCG N7 1 22 DG H21 1.990 . 2.090 1.942 1.877 2.045 0.013 6 0 "[ . 1]" 2
38 1 4 LCG N7 1 22 DG N2 2.900 2.800 3.000 2.912 2.857 3.015 0.015 1 0 "[ . 1]" 2
39 1 4 LCG O6 1 22 DG H1 1.950 . 2.050 2.005 1.850 2.067 0.017 4 0 "[ . 1]" 2
40 1 4 LCG O6 1 22 DG N1 2.950 2.850 3.050 3.002 2.859 3.057 0.007 8 0 "[ . 1]" 2
41 1 5 DG H21 1 11 DG N7 1.990 . 2.090 2.074 1.880 2.135 0.045 7 0 "[ . 1]" 2
42 1 5 DG N2 1 11 DG N7 2.900 2.800 3.000 2.935 2.846 3.007 0.007 8 0 "[ . 1]" 2
43 1 5 DG H1 1 11 DG O6 1.950 . 2.050 1.925 1.848 2.057 0.007 6 0 "[ . 1]" 2
44 1 5 DG N1 1 11 DG O6 2.950 2.850 3.050 2.903 2.833 3.041 0.017 4 0 "[ . 1]" 2
45 1 11 DG H21 1 15 DG N7 1.990 . 2.090 1.888 1.872 1.940 0.018 1 0 "[ . 1]" 2
46 1 11 DG N2 1 15 DG N7 2.900 2.800 3.000 2.799 2.754 2.909 0.046 9 0 "[ . 1]" 2
47 1 11 DG H1 1 15 DG O6 1.950 . 2.050 2.030 1.851 2.111 0.061 9 0 "[ . 1]" 2
48 1 11 DG N1 1 15 DG O6 2.950 2.850 3.050 2.828 2.808 2.848 0.042 7 0 "[ . 1]" 2
49 1 15 DG H21 1 23 DG N7 1.990 . 2.090 2.053 1.940 2.133 0.043 4 0 "[ . 1]" 2
50 1 15 DG N2 1 23 DG N7 2.900 2.800 3.000 2.883 2.795 2.952 0.005 1 0 "[ . 1]" 2
51 1 15 DG H1 1 23 DG O6 1.950 . 2.050 1.869 1.839 1.963 0.011 7 0 "[ . 1]" 2
52 1 15 DG N1 1 23 DG O6 2.950 2.850 3.050 2.833 2.813 2.851 0.037 9 0 "[ . 1]" 2
53 1 5 DG N7 1 23 DG H21 1.990 . 2.090 1.918 1.872 2.060 0.018 1 0 "[ . 1]" 2
54 1 5 DG N7 1 23 DG N2 2.900 2.800 3.000 2.866 2.788 3.010 0.012 4 0 "[ . 1]" 2
55 1 5 DG O6 1 23 DG H1 1.950 . 2.050 2.042 1.972 2.073 0.023 7 0 "[ . 1]" 2
56 1 5 DG O6 1 23 DG N1 2.950 2.850 3.050 2.916 2.839 3.051 0.011 4 0 "[ . 1]" 2
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