NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399469 |
1u64   |
6307 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u64
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 75
_Distance_constraint_stats_list.Viol_count 592
_Distance_constraint_stats_list.Viol_total 22664.104
_Distance_constraint_stats_list.Viol_max 12.089
_Distance_constraint_stats_list.Viol_rms 3.1648
_Distance_constraint_stats_list.Viol_average_all_restraints 4.7217
_Distance_constraint_stats_list.Viol_average_violations_only 4.7855
_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 DG 304.338 7.777 8 8 [-******+]
1 2 DG 281.099 9.447 7 8 [******+-]
1 3 DG 463.078 12.089 7 8 [*****-+*]
1 4 DT 94.163 11.893 2 8 [*+*-****]
1 6 DT 42.470 5.995 5 8 [****+*-*]
1 7 DT 208.376 8.115 2 8 [*+*****-]
1 8 DG 572.657 11.365 7 8 [******+-]
1 9 DG 437.360 9.056 8 8 [*******+]
1 10 DG 508.322 10.153 5 8 [-***+***]
1 11 DG 466.690 11.339 3 8 [-*+*****]
2 1 DG 268.306 6.442 5 8 [****+-**]
2 2 DG 233.263 6.879 3 8 [-*+*****]
2 3 DG 16.995 2.218 7 8 [******+-]
2 6 DT 240.516 8.442 5 8 [****+**-]
2 7 DT 388.975 9.056 8 8 [*-*****+]
2 8 DG 137.295 5.787 8 8 [*-*****+]
2 9 DG 355.905 10.153 5 8 [****+***]
2 10 DG 646.218 12.089 7 8 [******+-]
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 8 DG H1 2 1 DG H1 . . 2.600 4.222 4.150 4.308 1.708 5 8 [****+*-*] 1
2 1 8 DG Q2' 2 1 DG H1 . . 3.500 6.776 6.748 6.814 3.314 5 8 [*-**+***] 1
3 1 9 DG H1 2 1 DG H1 . . 2.600 3.672 3.581 3.849 1.249 1 8 [+******-] 1
4 1 10 DG H1 2 1 DG H1 . . 2.600 6.820 6.681 7.012 4.412 1 8 [+******-] 1
5 1 2 DG H1 2 1 DG H8 . . 2.600 4.996 4.942 5.038 2.438 1 8 [+******-] 1
6 1 2 DG Q2 2 1 DG H8 . . 1.800 2.969 2.930 2.994 1.194 3 8 [**+****-] 1
7 1 3 DG H1 2 1 DG H8 . . 2.600 3.691 3.461 4.148 1.548 2 8 [*+***-**] 1
8 2 1 DG H8 2 2 DG H1 . . 3.500 6.594 6.539 6.629 3.129 7 8 [-*****+*] 1
9 2 2 DG H1 2 7 DT M7 . . 3.500 8.361 8.189 8.412 4.912 3 8 [**+****-] 1
10 1 9 DG H1 2 2 DG H1 . . 2.600 4.318 4.304 4.325 1.725 3 8 [**+****-] 1
11 1 9 DG Q2 2 2 DG H1 . . 2.600 5.262 5.247 5.275 2.675 3 8 [**+****-] 1
12 1 9 DG H1 2 2 DG H8 . . 3.500 5.051 5.047 5.055 1.555 3 8 [**+-****] 1
13 1 9 DG Q2 2 2 DG H8 . . 2.600 3.029 3.021 3.039 0.439 1 0 "[ . ]" 1
14 2 2 DG Q2 2 3 DG H8 . . 2.600 4.724 4.634 4.818 2.218 7 8 [******+-] 1
15 2 2 DG H1 2 6 DT M7 . . 2.600 9.427 9.304 9.479 6.879 3 8 [**+****-] 1
16 1 1 DG H1 2 6 DT M7 . . 2.600 9.905 9.739 9.954 7.354 5 8 [****+**-] 1
17 2 7 DT H6 2 8 DG H1 . . 2.600 4.988 4.907 5.089 2.489 8 8 [*-*****+] 1
18 1 1 DG H1 2 7 DT H6 . . 2.600 8.517 8.448 8.569 5.969 5 8 [****+**-] 1
19 1 9 DG H1 2 7 DT H6 . . 2.600 11.413 11.331 11.656 9.056 8 8 [******-+] 1
20 1 9 DG Q2 2 7 DT H6 . . 3.500 12.174 12.104 12.393 8.893 8 8 [******-+] 1
21 2 7 DT M7 2 8 DG H1 . . 3.500 3.213 2.810 3.316 . 0 0 "[ . ]" 1
22 2 7 DT H1' 2 8 DG H1 . . 3.500 6.072 5.917 6.640 3.140 8 8 [-******+] 1
23 1 1 DG H1 2 8 DG H8 . . 2.600 6.466 6.411 6.503 3.903 8 8 [**-****+] 1
24 1 1 DG Q2 2 8 DG H8 . . 2.600 5.160 5.087 5.394 2.794 8 8 [*****-*+] 1
25 2 9 DG H1 2 10 DG H1 . . 1.800 6.454 6.399 6.591 4.791 7 8 [-*****+*] 1
26 1 1 DG H1 2 9 DG H1 . . 2.600 3.910 3.798 4.067 1.467 8 8 [****-**+] 1
27 1 11 DG H1 2 9 DG H8 . . 2.600 10.822 10.585 10.932 8.332 5 8 [****+**-] 1
28 1 10 DG H1 2 9 DG H8 . . 2.600 11.802 11.575 11.883 9.283 5 8 [****+**-] 1
29 1 10 DG Q2 2 9 DG H8 . . 2.600 12.684 12.488 12.753 10.153 5 8 [****+**-] 1
30 2 9 DG Q2 2 10 DG H1 . . 1.800 7.523 7.475 7.648 5.848 7 8 [***-**+*] 1
31 1 7 DT M7 2 10 DG H1 . . 3.500 6.960 6.886 7.168 3.668 2 8 [-+******] 1
32 1 11 DG H1 2 10 DG H8 . . 2.600 8.879 8.711 8.960 6.360 7 8 [******+-] 1
33 1 11 DG H1 2 10 DG H1 . . 2.600 6.072 5.969 6.105 3.505 6 8 [*****+*-] 1
34 1 7 DT M7 1 11 DG H1 . . 3.500 11.410 11.261 11.615 8.115 2 8 [*+*****-] 1
35 1 8 DG H1 1 11 DG H1 . . 2.600 9.343 9.259 9.381 6.781 6 8 [*****+*-] 1
36 1 11 DG Q2 2 10 DG H1 . . 3.500 6.249 6.153 6.285 2.785 4 8 [***+***-] 1
37 1 7 DT M7 1 11 DG Q2 . . 3.500 9.981 9.806 10.145 6.645 2 8 [*+*****-] 1
38 1 1 DG H1 2 2 DG H1 . . 2.600 4.408 4.402 4.415 1.815 1 8 [+******-] 1
39 1 1 DG H1 2 7 DT M7 . . 3.500 6.542 6.145 6.646 3.146 5 8 [****+**-] 1
40 1 1 DG H1 2 6 DT H1' . . 1.500 9.044 8.947 9.277 7.777 8 8 [*****-*+] 1
41 1 1 DG H8 2 2 DG H1 . . 2.600 4.359 4.274 4.473 1.873 7 8 [-*****+*] 1
42 1 1 DG H8 2 2 DG Q2 . . 1.800 2.452 2.374 2.558 0.758 7 8 [-*****+*] 1
43 1 2 DG H1 2 10 DG H1 . . 2.600 8.196 8.131 8.304 5.704 8 8 [-******+] 1
44 1 1 DG H8 1 2 DG H1 . . 3.500 5.778 5.737 5.862 2.362 5 8 [***-+***] 1
45 1 2 DG H8 2 2 DG Q2 . . 3.500 5.174 5.081 5.241 1.741 7 8 [****-*+*] 1
46 1 2 DG H8 2 9 DG H1 . . 2.600 6.194 6.156 6.215 3.615 4 8 [*-*+****] 1
47 1 2 DG H8 2 9 DG Q2 . . 1.800 3.499 3.471 3.508 1.708 3 8 [*-+*****] 1
48 1 2 DG H8 2 10 DG H1 . . 2.600 11.911 11.813 12.047 9.447 7 8 [*-****+*] 1
49 1 3 DG H1 2 10 DG H1 . . 2.600 14.221 13.851 14.689 12.089 7 8 [-*****+*] 1
50 1 2 DG H1 1 3 DG H1 . . 1.800 7.213 6.795 7.707 5.907 7 8 [****-*+*] 1
51 1 2 DG Q2 1 3 DG H1 . . 2.600 4.608 4.525 4.769 2.169 7 8 [-*****+*] 1
52 1 3 DG H1 1 7 DT M7 . . 3.500 9.159 8.026 9.867 6.367 7 8 [*-****+*] 1
53 1 3 DG H1 1 8 DG H1 . . 2.600 13.158 12.555 13.774 11.174 7 8 [*-****+*] 1
54 1 3 DG H8 2 10 DG H1 . . 2.600 13.434 13.351 13.541 10.941 2 8 [*+*-****] 1
55 1 4 DT M7 2 10 DG H1 . . 3.500 15.270 15.207 15.393 11.893 2 8 [*+*-****] 1
56 1 6 DT M7 2 10 DG H1 . . 3.500 8.809 8.441 9.495 5.995 5 8 [****+*-*] 1
57 1 7 DT H6 1 8 DG H1 . . 2.600 3.474 3.403 3.672 1.072 2 8 [*+*****-] 1
58 1 8 DG H1 2 1 DG Q2 . . 2.600 5.136 5.045 5.248 2.648 2 8 [*+****-*] 1
59 1 7 DT M7 1 8 DG H1 . . 2.600 4.263 4.174 4.545 1.945 2 8 [*+*****-] 1
60 1 8 DG H1 1 10 DG Q2' . . 3.500 10.978 10.896 11.019 7.519 6 8 [*-***+**] 1
61 1 8 DG H8 2 1 DG H1 . . 3.500 5.178 5.131 5.209 1.709 7 8 [*-****+*] 1
62 1 3 DG H1 1 8 DG H8 . . 2.600 13.302 12.737 13.965 11.365 7 8 [****-*+*] 1
63 1 9 DG H1 2 1 DG Q2 . . 3.500 3.721 3.564 3.991 0.491 1 0 "[ . ]" 1
64 1 9 DG H1 2 7 DT M7 . . 1.800 7.646 7.605 7.679 5.879 8 8 [******-+] 1
65 1 9 DG Q2 2 7 DT M7 . . 1.800 8.309 8.270 8.380 6.580 8 8 [******-+] 1
66 1 9 DG Q2 2 6 DT H6 . . 3.500 11.888 11.717 11.942 8.442 5 8 [****+**-] 1
67 1 9 DG H8 2 8 DG H1 . . 2.600 8.376 8.360 8.387 5.787 8 8 [*****-*+] 1
68 1 9 DG H8 1 10 DG H8 . . 1.800 4.811 4.795 4.822 3.022 3 8 [**+****-] 1
69 1 10 DG H1 1 11 DG H1 . . 2.600 5.577 5.523 5.600 3.000 7 8 [***-**+*] 1
70 1 8 DG H1 1 10 DG H1 . . 2.600 8.353 8.179 8.428 5.828 3 8 [**+****-] 1
71 1 10 DG H8 2 1 DG H1 . . 2.600 8.943 8.875 9.042 6.442 5 8 [*-**+***] 1
72 1 10 DG H8 2 1 DG Q2 . . 1.800 6.621 6.534 6.783 4.983 1 8 [+*-*****] 1
73 1 8 DG H1 1 10 DG H8 . . 2.600 10.024 9.934 10.066 7.466 6 8 [*-***+**] 1
74 1 8 DG H1 1 11 DG H8 . . 1.800 13.076 12.957 13.139 11.339 3 8 [*-+*****] 1
75 1 10 DG H8 1 11 DG H8 . . 1.800 4.027 4.015 4.041 2.241 8 8 [-******+] 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 270
_Distance_constraint_stats_list.Viol_count 2083
_Distance_constraint_stats_list.Viol_total 27335.924
_Distance_constraint_stats_list.Viol_max 11.039
_Distance_constraint_stats_list.Viol_rms 1.6037
_Distance_constraint_stats_list.Viol_average_all_restraints 1.5819
_Distance_constraint_stats_list.Viol_average_violations_only 1.6404
_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 DG 343.922 9.094 8 8 [*******+]
1 2 DG 196.493 3.508 2 8 [*+*****-]
1 3 DG 227.783 3.508 2 8 [*+****-*]
1 4 DT 197.237 6.144 4 8 [***+-***]
1 5 DT 247.927 9.582 2 8 [*+*****-]
1 6 DT 364.642 11.039 5 8 [***-+***]
1 7 DT 219.182 5.351 2 8 [*+****-*]
1 8 DG 207.102 9.582 2 8 [*+*-****]
1 9 DG 114.385 2.990 7 8 [******+-]
1 10 DG 124.111 2.990 7 8 [******+-]
1 11 DG 70.491 2.367 8 8 [**-****+]
2 1 DG 108.964 2.379 6 8 [*****+**]
2 2 DG 190.896 6.167 8 8 [******-+]
2 3 DG 214.015 6.167 8 8 [*-*****+]
2 4 DT 178.040 5.269 4 8 [*-*+****]
2 5 DT 258.530 4.708 6 8 [**-**+**]
2 6 DT 566.163 9.094 8 8 [-******+]
2 7 DT 188.662 2.861 1 8 [+******-]
2 8 DG 376.591 8.258 8 8 [*******+]
2 9 DG 366.138 8.258 8 8 [****-**+]
2 10 DG 191.602 5.960 2 8 [*+*****-]
2 11 DG 203.689 11.039 5 8 [****+**-]
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 2 1 DG H1' 2 1 DG Q2' . . 1.500 2.142 2.124 2.158 0.658 2 8 [*+***-**] 2
2 2 1 DG H1' 2 1 DG H3' . . 2.161 3.744 3.721 3.768 1.607 4 8 [***+*-**] 2
3 2 1 DG H1' 2 1 DG H4' . . 1.910 3.303 3.224 3.389 1.479 4 8 [***+-***] 2
4 2 1 DG H2' 2 1 DG H2'' . . 1.500 1.766 1.749 1.785 0.285 6 0 "[ . ]" 2
5 2 1 DG H1' 2 1 DG H8 . . 1.500 2.485 2.409 2.563 1.063 5 8 [***-+***] 2
6 2 1 DG Q2' 2 1 DG H8 . . 2.077 3.472 3.349 3.570 1.493 6 8 [-****+**] 2
7 2 1 DG H3' 2 1 DG H8 . . 4.605 5.877 5.771 5.966 1.361 7 8 [-*****+*] 2
8 2 1 DG H4' 2 1 DG H8 . . 3.277 5.614 5.568 5.656 2.379 6 8 [*-***+**] 2
9 2 1 DG H8 2 2 DG H4' . . 4.695 3.715 3.626 3.810 . 0 0 "[ . ]" 2
10 2 1 DG H8 2 2 DG H8 . . 2.537 4.309 4.171 4.420 1.883 7 8 [-*****+*] 2
11 2 2 DG H1' 2 2 DG Q2' . . 1.500 2.325 2.322 2.329 0.829 4 8 [***+**-*] 2
12 2 2 DG H1' 2 2 DG H3' . . 1.967 3.775 3.763 3.784 1.817 2 8 [*+***-**] 2
13 2 2 DG H1' 2 2 DG H4' . . 1.650 3.026 3.012 3.034 1.384 5 8 [****+-**] 2
14 2 2 DG H1' 2 3 DG H4' . . 2.403 4.547 4.414 4.624 2.221 1 8 [+**-****] 2
15 2 2 DG Q2' 2 2 DG H3' . . 1.605 2.085 2.081 2.090 0.485 5 0 "[ . ]" 2
16 2 1 DG H1' 2 2 DG H8 . . 2.204 3.830 3.769 3.881 1.677 3 8 [**+*-***] 2
17 2 1 DG Q2' 2 2 DG H8 . . 1.529 1.877 1.859 1.889 0.360 1 0 "[ . ]" 2
18 2 2 DG H1' 2 2 DG H8 . . 2.065 3.834 3.830 3.841 1.776 7 8 [*-****+*] 2
19 2 2 DG Q2' 2 2 DG H8 . . 1.500 2.366 2.335 2.384 0.884 3 8 [**+-****] 2
20 2 2 DG H3' 2 2 DG H8 . . 2.133 4.132 4.111 4.143 2.010 5 8 [***-+***] 2
21 2 2 DG H8 2 3 DG H3' . . 2.256 8.353 8.287 8.423 6.167 8 8 [-******+] 2
22 2 2 DG H8 2 3 DG H8 . . 3.040 4.385 4.342 4.434 1.394 8 8 [-******+] 2
23 2 3 DG H1' 2 3 DG Q2' . . 1.655 2.276 2.267 2.285 0.630 8 8 [**-****+] 2
24 2 3 DG H1' 2 3 DG H3' . . 2.785 3.742 3.733 3.751 0.966 1 8 [+**-****] 2
25 2 3 DG H1' 2 3 DG H4' . . 2.502 3.092 3.079 3.103 0.601 6 8 [*-***+**] 2
26 2 3 DG H1' 2 4 DT M7 . . 2.285 4.682 4.645 4.764 2.479 8 8 [**-****+] 2
27 2 3 DG H2' 2 3 DG H2'' . . 1.500 1.766 1.762 1.769 0.269 6 0 "[ . ]" 2
28 2 3 DG Q2' 2 4 DT M7 . . 2.383 2.294 2.243 2.323 . 0 0 "[ . ]" 2
29 2 3 DG Q2' 2 3 DG H3' . . 1.500 2.165 2.162 2.168 0.668 8 8 [-******+] 2
30 2 2 DG Q2' 2 3 DG H8 . . 2.422 1.980 1.971 1.989 . 0 0 "[ . ]" 2
31 2 2 DG H3' 2 3 DG H8 . . 3.121 4.529 4.519 4.541 1.420 4 8 [***+-***] 2
32 2 3 DG H1' 2 3 DG H8 . . 2.112 3.871 3.848 3.885 1.773 6 8 [*-***+**] 2
33 2 3 DG Q2' 2 3 DG H8 . . 1.500 2.374 2.348 2.417 0.917 2 8 [-+******] 2
34 2 3 DG H3' 2 3 DG H8 . . 1.992 4.495 4.479 4.511 2.519 8 8 [****-**+] 2
35 2 3 DG H8 2 4 DT M7 . . 2.969 3.382 3.320 3.464 0.495 3 0 "[ . ]" 2
36 2 4 DT H1' 2 4 DT Q2' . . 1.500 2.235 2.214 2.250 0.750 3 8 [**+****-] 2
37 2 4 DT H1' 2 4 DT H4' . . 2.177 3.229 3.095 3.433 1.256 4 8 [***+**-*] 2
38 2 4 DT H1' 2 5 DT Q5' . . 2.574 3.422 3.271 3.465 0.891 1 8 [+*-*****] 2
39 2 4 DT H2' 2 4 DT H2'' . . 1.500 1.764 1.755 1.769 0.269 1 0 "[ . ]" 2
40 2 4 DT Q2' 2 4 DT H4' . . 1.916 3.483 3.460 3.518 1.602 4 8 [***+**-*] 2
41 2 4 DT H4' 2 6 DT M7 . . 3.189 8.310 8.203 8.458 5.269 4 8 [***+**-*] 2
42 2 3 DG H1' 2 4 DT H6 . . 1.810 4.449 4.253 4.774 2.964 8 8 [**-****+] 2
43 2 3 DG Q2' 2 4 DT H6 . . 2.291 2.325 2.216 2.500 0.209 8 0 "[ . ]" 2
44 2 3 DG H8 2 4 DT H6 . . 3.253 5.255 5.123 5.457 2.204 2 8 [*+****-*] 2
45 2 4 DT H1' 2 4 DT H6 . . 1.910 3.729 3.728 3.730 1.820 7 8 [***-**+*] 2
46 2 4 DT Q2' 2 4 DT H6 . . 1.510 1.986 1.964 2.022 0.512 4 2 "[ - +. ]" 2
47 2 4 DT H4' 2 4 DT H6 . . 3.213 4.659 4.542 4.736 1.523 1 8 [+**-****] 2
48 2 4 DT H6 2 4 DT M7 . . 2.010 2.261 2.251 2.278 0.268 4 0 "[ . ]" 2
49 2 5 DT H1' 2 5 DT Q2' . . 1.500 2.316 2.313 2.321 0.821 3 8 [**+**-**] 2
50 2 5 DT H1' 2 5 DT H3' . . 2.312 3.929 3.918 3.933 1.621 7 8 [**-***+*] 2
51 2 5 DT H1' 2 5 DT H4' . . 1.890 3.599 3.583 3.648 1.758 3 8 [**+****-] 2
52 2 5 DT H2' 2 5 DT H2'' . . 1.500 1.793 1.791 1.795 0.295 3 0 "[ . ]" 2
53 2 5 DT Q2' 2 5 DT H3' . . 1.500 2.218 2.215 2.222 0.722 4 8 [-**+****] 2
54 2 5 DT H3' 2 6 DT M7 . . 2.491 6.835 6.780 6.875 4.384 6 8 [*-***+**] 2
55 2 5 DT Q2' 2 5 DT H4' . . 2.161 3.425 3.423 3.427 1.266 6 8 [*-***+**] 2
56 2 5 DT H4' 2 6 DT Q2' . . 2.082 4.737 4.710 4.766 2.684 3 8 [*-+*****] 2
57 2 5 DT H4' 2 6 DT M7 . . 3.349 5.813 5.769 5.845 2.496 3 8 [*-+*****] 2
58 2 5 DT Q5' 2 6 DT M7 . . 4.198 4.990 4.718 5.060 0.862 6 8 [**-**+**] 2
59 2 4 DT Q2' 2 5 DT H6 . . 1.789 2.941 2.844 3.009 1.220 7 8 [******+-] 2
60 2 5 DT H1' 2 5 DT H6 . . 1.884 3.574 3.568 3.579 1.695 6 8 [*-***+**] 2
61 2 5 DT Q2' 2 5 DT H6 . . 1.553 2.923 2.915 2.931 1.378 4 8 [-**+****] 2
62 2 5 DT H3' 2 5 DT H6 . . 2.291 4.353 4.332 4.373 2.082 3 8 [-*+*****] 2
63 2 5 DT Q5' 2 5 DT H6 . . 3.356 2.264 1.921 2.321 . 0 0 "[ . ]" 2
64 2 5 DT H6 2 6 DT M7 . . 3.844 3.631 3.586 3.680 . 0 0 "[ . ]" 2
65 2 5 DT H4' 2 6 DT H1' . . 1.540 4.107 4.054 4.169 2.629 4 8 [***+***-] 2
66 2 6 DT H1' 2 6 DT Q2' . . 1.500 2.293 2.278 2.315 0.815 8 8 [*****-*+] 2
67 2 6 DT H1' 2 6 DT H3' . . 2.258 3.895 3.873 3.944 1.686 8 8 [***-***+] 2
68 2 6 DT H1' 2 6 DT H4' . . 1.789 2.889 2.856 2.950 1.161 8 8 [**-****+] 2
69 2 6 DT H1' 2 6 DT Q5' . . 3.169 4.105 4.087 4.147 0.978 8 8 [**-****+] 2
70 2 6 DT H1' 2 7 DT M7 . . 1.993 4.628 4.578 4.645 2.652 7 8 [******+-] 2
71 2 6 DT H2' 2 6 DT H2'' . . 1.500 1.728 1.715 1.733 0.233 3 0 "[ . ]" 2
72 2 6 DT Q2' 2 6 DT H3' . . 1.539 2.042 2.025 2.052 0.513 6 7 "[- ***+**]" 2
73 2 6 DT Q2' 2 6 DT Q5' . . 2.068 3.269 3.239 3.325 1.257 8 8 [*-*****+] 2
74 2 6 DT Q5' 2 6 DT M7 . . 3.430 4.777 4.714 4.804 1.374 6 8 [*****+*-] 2
75 2 6 DT Q5' 2 7 DT M7 . . 3.672 6.312 6.253 6.357 2.685 3 8 [*-+*****] 2
76 2 5 DT H3' 2 6 DT H6 . . 2.001 6.671 6.627 6.709 4.708 6 8 [*-***+**] 2
77 2 5 DT Q5' 2 6 DT H6 . . 3.303 4.588 4.519 4.635 1.332 6 8 [**-**+**] 2
78 2 6 DT H1' 2 6 DT H6 . . 1.915 3.770 3.755 3.781 1.866 8 8 [*****-*+] 2
79 2 6 DT Q2' 2 6 DT H6 . . 1.666 1.914 1.905 1.923 0.257 4 0 "[ . ]" 2
80 2 6 DT H3' 2 6 DT H6 . . 2.483 3.386 3.319 3.419 0.936 2 8 [*+*****-] 2
81 2 6 DT Q5' 2 6 DT H6 . . 2.384 3.485 3.455 3.499 1.115 6 8 [*****+*-] 2
82 2 6 DT H6 2 7 DT M7 . . 2.937 4.822 4.770 4.933 1.996 8 8 [***-***+] 2
83 2 6 DT Q2' 2 7 DT M7 . . 2.000 3.121 3.029 3.176 1.176 3 8 [**+****-] 2
84 2 7 DT H1' 2 7 DT Q2' . . 1.500 2.263 2.251 2.281 0.781 1 8 [+**-****] 2
85 2 7 DT H1' 2 7 DT H3' . . 2.453 3.838 3.826 3.845 1.392 5 8 [****+**-] 2
86 2 7 DT H1' 2 7 DT H4' . . 2.295 3.523 3.486 3.543 1.248 6 8 [-****+**] 2
87 2 7 DT H2' 2 7 DT H2'' . . 1.500 1.762 1.759 1.768 0.268 8 0 "[ . ]" 2
88 2 7 DT Q2' 2 7 DT H3' . . 1.500 2.142 2.097 2.165 0.665 4 8 [-**+****] 2
89 2 7 DT H3' 2 7 DT Q5' . . 1.711 2.242 2.217 2.262 0.551 2 8 [*+*****-] 2
90 2 7 DT H4' 2 7 DT Q5' . . 1.500 2.439 2.425 2.466 0.966 8 8 [**-****+] 2
91 2 6 DT H1' 2 7 DT H6 . . 2.187 5.001 4.972 5.048 2.861 1 8 [+**-****] 2
92 2 7 DT H1' 2 7 DT H6 . . 2.010 3.712 3.689 3.725 1.715 6 8 [-****+**] 2
93 2 7 DT Q2' 2 7 DT H6 . . 1.500 1.953 1.920 1.969 0.469 4 0 "[ . ]" 2
94 2 7 DT H3' 2 7 DT H6 . . 1.500 4.049 4.027 4.097 2.597 8 8 [***-***+] 2
95 2 7 DT H4' 2 7 DT H6 . . 3.169 4.867 4.749 5.077 1.908 1 8 [+**-****] 2
96 2 7 DT H6 2 7 DT M7 . . 1.999 2.334 2.327 2.339 0.340 1 0 "[ . ]" 2
97 2 8 DG H1' 2 8 DG Q2' . . 1.500 2.325 2.315 2.343 0.843 8 8 [*****-*+] 2
98 2 8 DG H1' 2 8 DG H3' . . 2.135 3.722 3.708 3.768 1.633 8 8 [***-***+] 2
99 2 8 DG H1' 2 8 DG H4' . . 1.743 2.739 2.665 2.760 1.017 6 8 [*****+*-] 2
100 2 8 DG H2' 2 8 DG H2'' . . 1.500 1.779 1.763 1.783 0.283 5 0 "[ . ]" 2
101 2 8 DG Q2' 2 8 DG H3' . . 1.507 2.120 2.081 2.133 0.626 6 8 [*****+*-] 2
102 2 8 DG H1' 2 8 DG H8 . . 1.500 2.592 2.580 2.608 1.108 8 8 [******-+] 2
103 2 8 DG Q2' 2 8 DG H8 . . 2.930 3.905 3.696 3.965 1.035 4 8 [***+***-] 2
104 2 8 DG H4' 2 8 DG H8 . . 3.146 5.092 5.067 5.181 2.035 8 8 [***-***+] 2
105 2 8 DG H8 2 9 DG H1' . . 2.021 10.014 9.923 10.279 8.258 8 8 [*****-*+] 2
106 2 8 DG H8 2 9 DG H4' . . 2.994 9.187 9.109 9.459 6.465 8 8 [*****-*+] 2
107 2 8 DG H8 2 9 DG H8 . . 2.538 10.166 10.090 10.287 7.749 8 8 [******-+] 2
108 2 9 DG H1' 2 9 DG Q2' . . 1.500 2.194 2.189 2.200 0.700 7 8 [******+-] 2
109 2 9 DG H1' 2 9 DG H4' . . 1.671 2.762 2.741 2.798 1.127 8 8 [***-***+] 2
110 2 9 DG H2' 2 9 DG H2'' . . 1.500 1.803 1.801 1.806 0.306 7 0 "[ . ]" 2
111 2 9 DG Q2' 2 9 DG H3' . . 1.500 2.051 2.044 2.056 0.556 7 8 [****-*+*] 2
112 2 8 DG H1' 2 9 DG H8 . . 2.331 9.337 9.249 9.595 7.264 8 8 [*****-*+] 2
113 2 8 DG Q2' 2 9 DG H8 . . 1.556 6.159 6.124 6.204 4.648 8 8 [******-+] 2
114 2 8 DG H3' 2 9 DG H8 . . 2.372 7.710 7.310 7.812 5.440 4 8 [***+***-] 2
115 2 9 DG H1' 2 9 DG H8 . . 2.842 3.221 3.200 3.233 0.391 4 0 "[ . ]" 2
116 2 9 DG Q2' 2 9 DG H8 . . 1.612 2.029 2.019 2.039 0.427 2 0 "[ . ]" 2
117 2 9 DG H3' 2 9 DG H8 . . 2.240 4.276 4.267 4.289 2.049 5 8 [****+**-] 2
118 2 10 DG H1' 2 10 DG Q2' . . 1.500 2.300 2.295 2.305 0.805 4 8 [***+**-*] 2
119 2 10 DG H1' 2 10 DG H3' . . 1.917 3.801 3.796 3.810 1.893 7 8 [**-***+*] 2
120 2 10 DG H1' 2 10 DG H4' . . 1.626 3.090 3.071 3.133 1.507 7 8 [*-****+*] 2
121 2 10 DG H2' 2 10 DG H2'' . . 1.500 1.774 1.770 1.776 0.276 2 0 "[ . ]" 2
122 2 10 DG Q2' 2 10 DG H3' . . 1.587 2.229 2.227 2.231 0.644 6 8 [***-*+**] 2
123 2 9 DG Q2' 2 10 DG H8 . . 1.662 1.975 1.963 2.007 0.345 8 0 "[ . ]" 2
124 2 9 DG H3' 2 10 DG H8 . . 2.572 3.374 3.361 3.385 0.813 1 8 [+-******] 2
125 2 9 DG H8 2 10 DG H8 . . 2.578 2.997 2.933 3.038 0.460 2 0 "[ . ]" 2
126 2 10 DG H1' 2 10 DG H8 . . 2.016 3.772 3.768 3.779 1.763 8 8 [**-****+] 2
127 2 10 DG Q2' 2 10 DG H8 . . 1.533 2.890 2.880 2.895 1.362 3 8 [**+****-] 2
128 2 10 DG H3' 2 10 DG H8 . . 2.168 4.537 4.516 4.548 2.380 6 8 [*****+-*] 2
129 2 10 DG H4' 2 10 DG H8 . . 2.943 4.431 4.421 4.437 1.494 4 8 [***+**-*] 2
130 2 10 DG H8 2 11 DG H1' . . 1.500 7.443 7.404 7.460 5.960 2 8 [*+*****-] 2
131 2 11 DG H1' 2 11 DG Q2' . . 1.500 2.365 2.363 2.367 0.867 5 8 [****+**-] 2
132 1 6 DT M7 2 11 DG H1' . . 3.428 13.633 13.200 14.467 11.039 5 8 [****+*-*] 2
133 2 11 DG H2' 2 11 DG H2'' . . 1.500 1.751 1.749 1.752 0.252 8 0 "[ . ]" 2
134 2 11 DG Q2' 2 11 DG H4' . . 1.671 3.469 3.468 3.471 1.800 4 8 [**-+****] 2
135 2 10 DG H1' 2 11 DG H8 . . 2.745 3.940 3.913 3.993 1.248 8 8 [*-*****+] 2
136 2 10 DG Q2' 2 11 DG H8 . . 1.652 2.349 2.327 2.391 0.739 8 8 [*-*****+] 2
137 2 10 DG H3' 2 11 DG H8 . . 2.863 4.798 4.776 4.843 1.980 8 8 [*-*****+] 2
138 2 10 DG H8 2 11 DG H8 . . 3.303 3.914 3.896 3.923 0.620 3 8 [**+****-] 2
139 2 11 DG H1' 2 11 DG H8 . . 2.797 3.961 3.959 3.963 1.166 2 8 [*+*-****] 2
140 2 11 DG Q2' 2 11 DG H8 . . 1.536 2.333 2.330 2.338 0.802 1 8 [+*****-*] 2
141 1 1 DG H1' 2 6 DT M7 . . 3.641 11.032 10.904 11.286 7.645 8 8 [****-**+] 2
142 1 1 DG H1' 1 1 DG Q2' . . 1.500 2.172 2.167 2.180 0.680 5 8 [-***+***] 2
143 1 1 DG H1' 1 1 DG H3' . . 1.979 3.707 3.655 3.736 1.757 4 8 [***+-***] 2
144 1 1 DG H1' 1 2 DG H4' . . 1.966 4.945 4.846 5.090 3.124 5 8 [***-+***] 2
145 1 1 DG H2' 1 1 DG H2'' . . 1.500 1.778 1.772 1.790 0.290 7 0 "[ . ]" 2
146 1 1 DG Q2' 1 1 DG H3' . . 1.500 2.267 2.257 2.278 0.778 5 8 [****+*-*] 2
147 1 1 DG H4' 2 6 DT M7 . . 3.463 11.934 11.656 12.557 9.094 8 8 [****-**+] 2
148 1 1 DG H8 2 6 DT M7 . . 2.503 10.565 10.495 10.690 8.187 8 8 [*-*****+] 2
149 1 1 DG H1' 1 1 DG H8 . . 1.500 2.516 2.470 2.597 1.097 8 8 [*-*****+] 2
150 1 1 DG Q2' 1 1 DG H8 . . 2.007 3.183 3.096 3.223 1.216 6 8 [*****+*-] 2
151 1 1 DG H3' 1 1 DG H8 . . 3.201 5.718 5.668 5.755 2.554 6 8 [*****+*-] 2
152 1 1 DG H4' 1 1 DG H8 . . 3.833 5.802 5.654 5.930 2.097 8 8 [****-**+] 2
153 1 1 DG H8 1 2 DG H4' . . 2.588 4.644 4.631 4.655 2.067 8 8 [******-+] 2
154 1 2 DG H2' 1 2 DG H2'' . . 1.500 1.724 1.721 1.729 0.229 2 0 "[ . ]" 2
155 1 2 DG Q2' 1 2 DG H3' . . 1.500 2.095 2.086 2.105 0.605 8 8 [*-*****+] 2
156 1 1 DG Q2' 1 2 DG H8 . . 1.519 2.105 2.062 2.135 0.616 2 8 [*+*****-] 2
157 1 1 DG H3' 1 2 DG H8 . . 2.120 4.212 4.037 4.314 2.194 2 8 [*+*****-] 2
158 1 1 DG H8 1 2 DG H8 . . 2.879 4.111 4.047 4.164 1.285 6 8 [*****+*-] 2
159 1 2 DG H1' 1 2 DG H8 . . 2.055 3.753 3.741 3.763 1.708 5 8 [****+**-] 2
160 1 2 DG Q2' 1 2 DG H8 . . 1.557 1.931 1.922 1.942 0.385 2 0 "[ . ]" 2
161 1 2 DG H3' 1 2 DG H8 . . 2.156 4.077 4.038 4.120 1.964 2 8 [*+*****-] 2
162 1 2 DG H4' 1 2 DG H8 . . 3.565 4.926 4.850 5.003 1.438 2 8 [*+*****-] 2
163 1 2 DG H8 1 3 DG H8 . . 2.684 5.721 5.694 5.734 3.050 5 8 [****+*-*] 2
164 1 3 DG H1' 1 3 DG Q2' . . 1.500 2.324 2.312 2.338 0.838 7 8 [*-****+*] 2
165 1 3 DG H1' 1 3 DG H3' . . 2.220 3.926 3.918 3.943 1.723 7 8 [*-****+*] 2
166 1 3 DG H1' 1 3 DG H4' . . 2.034 3.498 3.458 3.547 1.513 2 8 [*+****-*] 2
167 1 3 DG H1' 1 4 DT M7 . . 3.588 2.991 2.700 3.296 . 0 0 "[ . ]" 2
168 1 3 DG H2' 1 3 DG H2'' . . 1.500 1.739 1.738 1.740 0.240 6 0 "[ . ]" 2
169 1 3 DG Q2' 1 3 DG H3' . . 1.500 2.097 2.082 2.118 0.618 5 8 [****+**-] 2
170 1 2 DG H1' 1 3 DG H8 . . 1.929 2.342 2.291 2.420 0.491 2 0 "[ . ]" 2
171 1 2 DG Q2' 1 3 DG H8 . . 1.626 4.124 4.061 4.164 2.538 8 8 [*-*****+] 2
172 1 2 DG H3' 1 3 DG H8 . . 2.375 5.871 5.862 5.883 3.508 2 8 [*+*****-] 2
173 1 3 DG H1' 1 3 DG H8 . . 2.116 3.838 3.810 3.865 1.749 7 8 [****-*+*] 2
174 1 3 DG Q2' 1 3 DG H8 . . 1.500 2.049 2.027 2.088 0.588 2 8 [*+****-*] 2
175 1 3 DG H3' 1 3 DG H8 . . 2.018 3.751 3.731 3.772 1.754 8 8 [*-*****+] 2
176 1 3 DG H4' 1 3 DG H8 . . 3.096 4.467 4.335 4.573 1.477 7 8 [****-*+*] 2
177 1 3 DG H5' 1 3 DG H8 . . 4.341 2.357 2.215 2.504 . 0 0 "[ . ]" 2
178 1 3 DG H8 1 4 DT M7 . . 3.286 5.539 5.524 5.551 2.265 7 8 [-*****+*] 2
179 1 3 DG H8 1 5 DT M7 . . 3.850 6.602 6.289 6.798 2.948 4 8 [***+-***] 2
180 1 4 DT M7 1 6 DT M7 . . 2.000 7.653 6.669 8.144 6.144 4 8 [-**+****] 2
181 1 4 DT H1' 1 4 DT Q2' . . 1.500 2.342 2.325 2.357 0.857 6 8 [*-***+**] 2
182 1 4 DT H1' 1 4 DT H3' . . 2.422 3.783 3.748 3.857 1.435 5 8 [*-**+***] 2
183 1 4 DT H1' 1 4 DT H4' . . 2.111 3.016 2.924 3.081 0.970 7 8 [*-****+*] 2
184 1 4 DT H1' 1 5 DT H3' . . 3.796 5.809 5.742 6.029 2.233 2 8 [-+******] 2
185 1 4 DT H2' 1 4 DT H2'' . . 1.500 1.759 1.739 1.770 0.270 3 0 "[ . ]" 2
186 1 4 DT Q2' 1 4 DT H3' . . 1.500 2.140 2.122 2.185 0.685 2 8 [*+**-***] 2
187 1 4 DT H4' 1 5 DT M7 . . 4.049 5.439 5.220 5.796 1.747 1 8 [+******-] 2
188 1 3 DG Q2' 1 4 DT H6 . . 1.645 3.252 3.163 3.373 1.728 2 8 [*+****-*] 2
189 1 3 DG H3' 1 4 DT H6 . . 2.223 4.434 4.230 4.674 2.451 7 8 [*-****+*] 2
190 1 4 DT H1' 1 4 DT H6 . . 1.962 3.676 3.667 3.682 1.720 6 8 [*****+-*] 2
191 1 4 DT Q2' 1 4 DT H6 . . 1.500 1.935 1.922 1.953 0.453 2 0 "[ . ]" 2
192 1 4 DT H3' 1 4 DT H6 . . 2.006 4.036 3.947 4.157 2.151 2 8 [*+**-***] 2
193 1 4 DT H4' 1 4 DT H6 . . 3.495 4.726 4.679 4.795 1.300 2 8 [*+****-*] 2
194 1 4 DT H6 1 4 DT M7 . . 2.124 2.233 2.220 2.252 0.128 1 0 "[ . ]" 2
195 1 5 DT H1' 1 5 DT Q2' . . 1.506 2.306 2.303 2.308 0.802 8 8 [*-*****+] 2
196 1 5 DT H1' 1 5 DT H3' . . 2.817 3.695 3.682 3.724 0.907 2 8 [*+****-*] 2
197 1 5 DT H1' 1 5 DT H4' . . 1.933 3.264 3.227 3.303 1.370 7 8 [**-***+*] 2
198 1 5 DT H1' 1 6 DT M7 . . 4.007 5.519 4.798 6.371 2.364 2 8 [*+****-*] 2
199 1 5 DT H2' 1 5 DT H2'' . . 1.500 1.764 1.755 1.766 0.266 6 0 "[ . ]" 2
200 1 5 DT Q2' 1 5 DT H3' . . 1.576 2.218 2.212 2.222 0.646 4 8 [***+***-] 2
201 1 5 DT Q2' 1 5 DT H4' . . 1.916 3.489 3.475 3.503 1.587 8 8 [****-**+] 2
202 1 5 DT H1' 1 5 DT H6 . . 1.958 3.638 3.629 3.645 1.687 8 8 [****-**+] 2
203 1 5 DT Q2' 1 5 DT H6 . . 1.587 2.029 2.009 2.043 0.456 3 0 "[ . ]" 2
204 1 5 DT H3' 1 5 DT H6 . . 2.424 4.250 4.194 4.273 1.849 8 8 [*-*****+] 2
205 1 5 DT H4' 1 5 DT H6 . . 3.418 4.794 4.741 4.844 1.426 8 8 [****-**+] 2
206 1 5 DT H6 1 5 DT M7 . . 2.073 2.266 2.255 2.276 0.203 5 0 "[ . ]" 2
207 1 5 DT H6 1 6 DT H3' . . 3.303 7.168 6.874 7.521 4.218 7 8 [*-****+*] 2
208 1 6 DT H1' 1 6 DT Q2' . . 1.500 2.368 2.327 2.435 0.935 7 8 [*-****+*] 2
209 1 6 DT H1' 1 6 DT H3' . . 3.000 3.861 3.837 3.914 0.914 6 8 [****-+**] 2
210 1 6 DT H1' 1 6 DT H4' . . 2.233 3.450 3.420 3.478 1.245 6 8 [*-***+**] 2
211 1 6 DT H1' 1 7 DT M7 . . 2.447 3.488 3.197 3.737 1.290 2 8 [*+****-*] 2
212 1 6 DT H2' 1 6 DT H2'' . . 1.500 1.693 1.680 1.704 0.204 2 0 "[ . ]" 2
213 1 6 DT Q2' 1 7 DT M7 . . 2.000 2.650 2.412 2.785 0.785 6 6 "[***-*+ ]" 2
214 1 6 DT Q2' 1 6 DT H3' . . 1.564 2.233 2.222 2.238 0.674 5 8 [****+-**] 2
215 1 6 DT Q2' 1 6 DT H4' . . 1.983 3.486 3.453 3.510 1.527 1 8 [+*****-*] 2
216 1 6 DT H1' 1 6 DT H6 . . 2.077 3.585 3.552 3.609 1.532 6 8 [****-+**] 2
217 1 6 DT Q2' 1 6 DT H6 . . 1.637 2.013 2.000 2.025 0.388 8 0 "[ . ]" 2
218 1 6 DT H3' 1 6 DT H6 . . 2.312 4.425 4.365 4.468 2.156 8 8 [*****-*+] 2
219 1 6 DT H4' 1 6 DT H6 . . 2.619 5.172 5.087 5.294 2.675 1 8 [+*-*****] 2
220 1 6 DT Q5' 1 6 DT H6 . . 1.815 3.197 3.038 3.354 1.539 2 8 [*+***-**] 2
221 1 6 DT H6 1 7 DT M7 . . 2.777 3.933 3.452 4.061 1.284 1 8 [+-******] 2
222 1 7 DT H1' 1 7 DT Q2' . . 1.618 2.217 2.175 2.277 0.659 5 8 [****+*-*] 2
223 1 7 DT H1' 1 7 DT H3' . . 2.926 3.808 3.736 3.842 0.916 6 8 [-****+**] 2
224 1 7 DT H1' 1 7 DT H4' . . 2.814 3.437 3.218 3.562 0.748 6 6 "[ *-*.+**]" 2
225 1 7 DT H1' 1 7 DT Q5' . . 2.556 4.276 4.199 4.316 1.760 2 8 [*+**-***] 2
226 1 7 DT H2' 1 7 DT H2'' . . 1.500 1.773 1.763 1.783 0.283 5 0 "[ . ]" 2
227 1 7 DT Q2' 1 7 DT H3' . . 1.500 2.229 2.221 2.237 0.737 1 8 [+****-**] 2
228 1 7 DT Q2' 1 7 DT H4' . . 2.291 3.513 3.500 3.524 1.233 8 8 [****-**+] 2
229 1 6 DT H4' 1 7 DT H6 . . 1.500 5.945 5.521 6.475 4.975 2 8 [*+****-*] 2
230 1 7 DT H1' 1 7 DT H6 . . 1.980 3.467 3.370 3.566 1.586 2 8 [*+****-*] 2
231 1 7 DT Q2' 1 7 DT H6 . . 1.608 3.714 3.545 3.848 2.240 7 8 [*-****+*] 2
232 1 7 DT H3' 1 7 DT H6 . . 2.140 5.193 4.979 5.270 3.130 3 8 [*-+*****] 2
233 1 7 DT H4' 1 7 DT H6 . . 3.362 4.298 4.189 4.454 1.092 5 8 [*-**+***] 2
234 1 7 DT Q5' 1 7 DT H6 . . 2.307 3.594 3.497 3.695 1.388 6 8 [*-***+**] 2
235 1 8 DG H1' 1 8 DG Q2' . . 1.500 2.316 2.314 2.321 0.821 1 8 [+******-] 2
236 1 8 DG H1' 1 8 DG H4' . . 2.117 3.281 3.273 3.287 1.170 2 8 [*+**-***] 2
237 1 8 DG Q2' 1 8 DG H3' . . 1.500 2.204 2.198 2.209 0.709 8 8 [***-***+] 2
238 1 5 DT M7 1 8 DG H8 . . 3.328 11.781 10.807 12.910 9.582 2 8 [*+****-*] 2
239 1 6 DT H1' 1 8 DG H8 . . 2.709 6.519 5.939 6.893 4.184 3 8 [-*+*****] 2
240 1 7 DT H1' 1 8 DG H8 . . 2.979 8.168 8.088 8.330 5.351 2 8 [*+*-****] 2
241 1 8 DG H1' 1 8 DG H8 . . 1.500 2.661 2.648 2.674 1.174 7 8 [*-****+*] 2
242 1 8 DG Q2' 1 8 DG H8 . . 2.240 3.809 3.787 3.832 1.592 8 8 [*-*****+] 2
243 1 8 DG H4' 1 8 DG H8 . . 2.684 5.706 5.699 5.724 3.040 7 8 [****-*+*] 2
244 1 9 DG H1' 1 9 DG Q2' . . 1.500 2.375 2.372 2.377 0.877 7 8 [*-****+*] 2
245 1 9 DG H1' 1 9 DG H3' . . 2.048 3.815 3.809 3.817 1.769 6 8 [*-***+**] 2
246 1 9 DG H1' 1 9 DG H4' . . 1.592 3.058 3.049 3.065 1.473 7 8 [*-****+*] 2
247 1 9 DG H2' 1 9 DG H2'' . . 1.500 1.716 1.714 1.718 0.218 5 0 "[ . ]" 2
248 1 9 DG Q2' 1 9 DG H3' . . 1.546 2.134 2.131 2.136 0.590 3 8 [**+****-] 2
249 1 9 DG Q2' 1 9 DG H4' . . 1.500 3.449 3.447 3.451 1.951 7 8 [*-****+*] 2
250 1 9 DG H1' 1 9 DG H8 . . 1.872 3.778 3.770 3.782 1.910 2 8 [*+-*****] 2
251 1 9 DG Q2' 1 9 DG H8 . . 1.500 2.157 2.152 2.165 0.665 3 8 [-*+*****] 2
252 1 9 DG H3' 1 9 DG H8 . . 2.202 4.098 4.090 4.105 1.903 2 8 [*+***-**] 2
253 1 10 DG H1' 1 10 DG Q2' . . 1.517 2.316 2.314 2.318 0.801 8 8 [*****-*+] 2
254 1 10 DG H1' 1 10 DG H3' . . 2.553 3.672 3.671 3.674 1.121 2 8 [*+-*****] 2
255 1 10 DG H2' 1 10 DG H2'' . . 1.500 1.748 1.746 1.749 0.249 7 0 "[ . ]" 2
256 1 10 DG Q2' 1 10 DG H3' . . 1.500 2.115 2.115 2.117 0.617 5 8 [****+**-] 2
257 1 9 DG H3' 1 10 DG H8 . . 1.830 4.809 4.799 4.820 2.990 7 8 [-*****+*] 2
258 1 10 DG H1' 1 10 DG H8 . . 2.282 3.789 3.788 3.791 1.509 6 8 [****-+**] 2
259 1 10 DG Q2' 1 10 DG H8 . . 2.874 2.025 2.020 2.028 . 0 0 "[ . ]" 2
260 1 10 DG H3' 1 10 DG H8 . . 2.516 4.136 4.133 4.139 1.623 6 8 [*****+*-] 2
261 1 10 DG H4' 1 10 DG H8 . . 2.347 4.958 4.954 4.961 2.614 6 8 [*****+-*] 2
262 1 11 DG H1' 1 11 DG Q2' . . 1.595 2.323 2.319 2.335 0.740 2 8 [*+***-**] 2
263 1 11 DG H1' 1 11 DG H4' . . 3.039 2.952 2.940 2.969 . 0 0 "[ . ]" 2
264 1 11 DG H2' 1 11 DG H2'' . . 1.500 1.787 1.785 1.787 0.287 3 0 "[ . ]" 2
265 1 10 DG H1' 1 11 DG H8 . . 2.324 4.649 4.633 4.691 2.367 8 8 [*-*****+] 2
266 1 10 DG Q2' 1 11 DG H8 . . 1.805 2.457 2.439 2.509 0.704 8 8 [**-****+] 2
267 1 10 DG H3' 1 11 DG H8 . . 3.606 4.644 4.613 4.713 1.107 8 8 [**-****+] 2
268 1 11 DG H1' 1 11 DG H8 . . 2.129 3.883 3.879 3.885 1.756 7 8 [*-****+*] 2
269 1 11 DG Q2' 1 11 DG H8 . . 1.635 2.324 2.318 2.331 0.696 8 8 [******-+] 2
270 1 11 DG H4' 1 11 DG H8 . . 3.832 5.170 5.166 5.175 1.343 8 8 [*-*****+] 2
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