NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577967 |
2mh6   |
19620 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mh6
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 159
_Distance_constraint_stats_list.Viol_count 697
_Distance_constraint_stats_list.Viol_total 469.995
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0397
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.0613
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.777 0.073 5 0 "[ . 1 ]"
1 2 DA 6.664 0.132 10 0 "[ . 1 ]"
1 3 DG 7.773 0.172 3 0 "[ . 1 ]"
1 4 DT 6.494 0.172 3 0 "[ . 1 ]"
1 5 DT 5.010 0.137 1 0 "[ . 1 ]"
1 6 DC 4.044 0.137 1 0 "[ . 1 ]"
1 7 DC 3.012 0.093 7 0 "[ . 1 ]"
1 8 DA 2.216 0.111 5 0 "[ . 1 ]"
2 1 DT 0.878 0.062 11 0 "[ . 1 ]"
2 2 DG 3.019 0.131 11 0 "[ . 1 ]"
2 3 DG 5.682 0.151 1 0 "[ . 1 ]"
2 4 DA 4.672 0.148 6 0 "[ . 1 ]"
2 6 DC 1.229 0.096 10 0 "[ . 1 ]"
2 7 DT 4.040 0.140 3 0 "[ . 1 ]"
2 8 DG 3.735 0.136 5 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 DC H1' 1 1 DC H2' 3.100 2.800 3.400 3.043 3.037 3.052 . 0 0 "[ . 1 ]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.500 2.300 2.700 2.369 2.356 2.387 . 0 0 "[ . 1 ]" 1
3 1 1 DC H1' 1 1 DC H4' 3.400 3.100 3.900 3.454 3.324 3.517 . 0 0 "[ . 1 ]" 1
4 1 1 DC H1' 1 1 DC H6 3.300 3.000 3.800 3.724 3.719 3.731 . 0 0 "[ . 1 ]" 1
5 1 1 DC H1' 1 2 DA H8 4.000 3.500 4.700 4.609 4.506 4.710 0.010 9 0 "[ . 1 ]" 1
6 1 1 DC H2' 1 1 DC H6 2.500 2.300 2.800 2.381 2.286 2.473 0.014 3 0 "[ . 1 ]" 1
7 1 1 DC H2' 1 2 DA H8 3.300 3.000 3.800 3.773 3.636 3.812 0.012 1 0 "[ . 1 ]" 1
8 1 1 DC H2'' 1 1 DC H6 3.400 3.100 3.900 3.832 3.739 3.904 0.004 1 0 "[ . 1 ]" 1
9 1 1 DC H2'' 1 2 DA H8 3.400 3.100 3.900 3.039 3.027 3.067 0.073 5 0 "[ . 1 ]" 1
10 1 1 DC H3' 1 1 DC H6 3.500 3.000 4.200 4.046 3.941 4.094 . 0 0 "[ . 1 ]" 1
11 1 2 DA H1' 1 2 DA H2 4.200 3.500 5.200 4.570 4.566 4.579 . 0 0 "[ . 1 ]" 1
12 1 2 DA H1' 1 2 DA H2' 2.800 2.500 3.100 3.046 3.044 3.050 . 0 0 "[ . 1 ]" 1
13 1 2 DA H1' 1 2 DA H2'' 2.400 2.200 2.600 2.374 2.362 2.383 . 0 0 "[ . 1 ]" 1
14 1 2 DA H1' 1 2 DA H4' 3.100 2.800 3.600 3.040 2.983 3.079 . 0 0 "[ . 1 ]" 1
15 1 2 DA H1' 1 2 DA H8 3.300 3.000 3.800 3.824 3.822 3.825 0.025 10 0 "[ . 1 ]" 1
16 1 2 DA H1' 1 3 DG H8 3.300 3.000 3.800 3.275 3.112 3.752 . 0 0 "[ . 1 ]" 1
17 1 2 DA H2 1 3 DG H1 4.300 3.600 5.300 4.569 4.334 4.659 . 0 0 "[ . 1 ]" 1
18 1 2 DA H2 1 3 DG H1' 4.000 3.500 4.700 4.731 4.724 4.736 0.036 6 0 "[ . 1 ]" 1
19 1 2 DA H2 2 8 DG H1' 5.000 4.500 6.000 5.075 4.767 6.009 0.009 9 0 "[ . 1 ]" 1
20 1 2 DA H2' 1 2 DA H8 2.300 2.100 2.600 2.030 2.023 2.038 0.077 9 0 "[ . 1 ]" 1
21 1 2 DA H2' 1 3 DG H8 3.200 2.900 3.700 3.739 3.701 3.765 0.065 6 0 "[ . 1 ]" 1
22 1 2 DA H2'' 1 2 DA H8 2.800 2.500 3.300 3.416 3.402 3.432 0.132 10 0 "[ . 1 ]" 1
23 1 2 DA H2'' 1 3 DG H8 2.800 2.500 3.300 2.394 2.376 2.445 0.124 2 0 "[ . 1 ]" 1
24 1 2 DA H3' 1 2 DA H8 3.300 2.800 4.000 4.100 4.063 4.121 0.121 4 0 "[ . 1 ]" 1
25 1 2 DA H3' 1 3 DG H8 4.100 3.400 5.100 5.152 5.132 5.194 0.094 1 0 "[ . 1 ]" 1
26 1 3 DG H1' 1 3 DG H2' 2.900 2.600 3.200 3.024 3.012 3.036 . 0 0 "[ . 1 ]" 1
27 1 3 DG H1' 1 3 DG H2'' 2.400 2.200 2.600 2.320 2.304 2.336 . 0 0 "[ . 1 ]" 1
28 1 3 DG H1' 1 3 DG H4' 3.000 2.700 3.500 3.422 3.176 3.513 0.013 6 0 "[ . 1 ]" 1
29 1 3 DG H1' 1 3 DG H8 3.400 3.100 3.900 3.851 3.847 3.857 . 0 0 "[ . 1 ]" 1
30 1 3 DG H1' 1 4 DT H6 3.500 3.000 4.200 4.240 4.229 4.251 0.051 9 0 "[ . 1 ]" 1
31 1 3 DG H2' 1 3 DG H8 2.400 2.200 2.700 2.185 2.165 2.234 0.035 6 0 "[ . 1 ]" 1
32 1 3 DG H2' 1 4 DT H6 3.100 2.800 3.600 3.422 3.399 3.451 . 0 0 "[ . 1 ]" 1
33 1 3 DG H2'' 1 3 DG H8 3.100 2.800 3.600 3.698 3.690 3.716 0.116 3 0 "[ . 1 ]" 1
34 1 3 DG H2'' 1 4 DT H6 2.800 2.500 3.300 2.366 2.358 2.377 0.142 3 0 "[ . 1 ]" 1
35 1 3 DG H3' 1 3 DG H8 3.300 2.800 4.000 3.970 3.892 4.016 0.016 3 0 "[ . 1 ]" 1
36 1 3 DG H3' 1 4 DT H6 3.800 3.300 4.500 4.614 4.587 4.672 0.172 3 0 "[ . 1 ]" 1
37 1 3 DG H8 1 4 DT H6 4.100 3.400 5.100 5.167 5.142 5.193 0.093 10 0 "[ . 1 ]" 1
38 1 4 DT H1' 1 4 DT H2' 3.000 2.700 3.300 3.042 3.033 3.047 . 0 0 "[ . 1 ]" 1
39 1 4 DT H1' 1 4 DT H2'' 2.400 2.200 2.600 2.348 2.321 2.362 . 0 0 "[ . 1 ]" 1
40 1 4 DT H1' 1 4 DT H4' 2.800 2.500 3.300 2.988 2.953 3.034 . 0 0 "[ . 1 ]" 1
41 1 4 DT H1' 1 4 DT H6 3.500 3.200 4.000 3.715 3.712 3.721 . 0 0 "[ . 1 ]" 1
42 1 4 DT H1' 1 5 DT H6 3.800 3.300 4.500 4.442 4.382 4.488 . 0 0 "[ . 1 ]" 1
43 1 4 DT H2' 1 4 DT H6 2.400 2.200 2.700 2.173 2.145 2.191 0.055 6 0 "[ . 1 ]" 1
44 1 4 DT H2' 1 5 DT H6 2.900 2.600 3.400 2.994 2.974 3.016 . 0 0 "[ . 1 ]" 1
45 1 4 DT H2'' 1 4 DT H6 3.100 2.800 3.600 3.652 3.637 3.663 0.063 3 0 "[ . 1 ]" 1
46 1 4 DT H2'' 1 5 DT H6 3.000 2.500 3.700 2.455 2.417 2.488 0.083 6 0 "[ . 1 ]" 1
47 1 4 DT H3' 1 4 DT H6 3.200 2.700 3.900 3.805 3.730 3.858 . 0 0 "[ . 1 ]" 1
48 1 4 DT H3' 1 5 DT H6 3.800 3.300 4.500 4.575 4.551 4.595 0.095 1 0 "[ . 1 ]" 1
49 1 4 DT H6 1 5 DT H6 3.900 3.400 4.600 4.635 4.594 4.681 0.081 6 0 "[ . 1 ]" 1
50 1 5 DT H1' 1 5 DT H2' 2.900 2.600 3.200 3.039 3.035 3.043 . 0 0 "[ . 1 ]" 1
51 1 5 DT H1' 1 5 DT H2'' 2.400 2.200 2.600 2.341 2.329 2.353 . 0 0 "[ . 1 ]" 1
52 1 5 DT H1' 1 5 DT H4' 3.000 2.700 3.500 3.083 2.963 3.233 . 0 0 "[ . 1 ]" 1
53 1 5 DT H1' 1 5 DT H6 3.300 3.000 3.800 3.720 3.713 3.724 . 0 0 "[ . 1 ]" 1
54 1 5 DT H1' 1 6 DC H6 3.500 3.000 4.200 4.229 4.207 4.248 0.048 5 0 "[ . 1 ]" 1
55 1 5 DT H2' 1 5 DT H6 2.300 2.100 2.600 2.119 2.075 2.235 0.025 10 0 "[ . 1 ]" 1
56 1 5 DT H2' 1 6 DC H5 3.500 3.000 4.200 3.239 3.131 3.307 . 0 0 "[ . 1 ]" 1
57 1 5 DT H2' 1 6 DC H6 3.000 2.700 3.500 3.520 3.481 3.538 0.038 2 0 "[ . 1 ]" 1
58 1 5 DT H2'' 1 6 DC H5 3.400 2.900 4.100 3.367 3.283 3.427 . 0 0 "[ . 1 ]" 1
59 1 5 DT H2'' 1 6 DC H6 2.800 2.500 3.300 2.378 2.363 2.392 0.137 1 0 "[ . 1 ]" 1
60 1 5 DT H3' 1 5 DT H6 3.100 2.600 3.800 3.857 3.814 3.910 0.110 10 0 "[ . 1 ]" 1
61 1 5 DT H3' 1 6 DC H6 4.000 3.500 4.700 4.761 4.733 4.784 0.084 1 0 "[ . 1 ]" 1
62 1 5 DT H6 1 6 DC H5 3.600 3.100 4.300 4.205 4.056 4.318 0.018 9 0 "[ . 1 ]" 1
63 1 6 DC H1' 1 6 DC H2' 3.100 2.800 3.400 3.044 3.039 3.048 . 0 0 "[ . 1 ]" 1
64 1 6 DC H1' 1 6 DC H2'' 2.400 2.200 2.600 2.354 2.341 2.365 . 0 0 "[ . 1 ]" 1
65 1 6 DC H1' 1 6 DC H4' 2.900 2.600 3.400 3.003 2.942 3.184 . 0 0 "[ . 1 ]" 1
66 1 6 DC H1' 1 6 DC H6 3.500 3.200 4.000 3.728 3.725 3.729 . 0 0 "[ . 1 ]" 1
67 1 6 DC H1' 1 7 DC H6 3.800 3.300 4.500 4.421 4.192 4.543 0.043 7 0 "[ . 1 ]" 1
68 1 6 DC H1' 2 4 DA H2 3.500 3.000 4.200 4.191 4.106 4.219 0.019 1 0 "[ . 1 ]" 1
69 1 6 DC H2' 1 6 DC H6 2.300 2.100 2.600 2.115 2.088 2.213 0.012 7 0 "[ . 1 ]" 1
70 1 6 DC H2' 1 7 DC H5 3.400 2.900 4.100 3.896 3.609 4.011 . 0 0 "[ . 1 ]" 1
71 1 6 DC H2' 1 7 DC H6 3.200 2.900 3.700 3.683 3.523 3.726 0.026 6 0 "[ . 1 ]" 1
72 1 6 DC H2'' 1 6 DC H6 3.200 2.900 3.700 3.599 3.565 3.688 . 0 0 "[ . 1 ]" 1
73 1 6 DC H2'' 1 7 DC H5 3.700 3.200 4.400 4.100 3.757 4.190 . 0 0 "[ . 1 ]" 1
74 1 6 DC H2'' 1 7 DC H6 3.200 2.900 3.700 2.838 2.807 2.854 0.093 7 0 "[ . 1 ]" 1
75 1 6 DC H3' 1 6 DC H6 3.100 2.600 3.800 3.843 3.824 3.865 0.065 10 0 "[ . 1 ]" 1
76 1 7 DC H1' 1 7 DC H2' 2.900 2.600 3.200 3.045 3.043 3.047 . 0 0 "[ . 1 ]" 1
77 1 7 DC H1' 1 7 DC H2'' 2.400 2.200 2.600 2.363 2.354 2.368 . 0 0 "[ . 1 ]" 1
78 1 7 DC H1' 1 7 DC H4' 2.900 2.600 3.400 3.015 2.947 3.096 . 0 0 "[ . 1 ]" 1
79 1 7 DC H1' 1 7 DC H6 3.500 3.200 4.000 3.723 3.722 3.725 . 0 0 "[ . 1 ]" 1
80 1 7 DC H1' 1 8 DA H8 4.000 3.500 4.700 4.730 4.708 4.749 0.049 3 0 "[ . 1 ]" 1
81 1 7 DC H2' 1 7 DC H6 2.300 2.100 2.600 2.043 2.016 2.059 0.084 8 0 "[ . 1 ]" 1
82 1 7 DC H2'' 1 7 DC H6 3.200 2.900 3.700 3.519 3.491 3.539 . 0 0 "[ . 1 ]" 1
83 1 7 DC H2'' 1 8 DA H8 3.400 3.100 3.900 3.071 3.012 3.093 0.088 8 0 "[ . 1 ]" 1
84 1 7 DC H3' 1 7 DC H6 3.100 2.600 3.800 3.878 3.851 3.889 0.089 4 0 "[ . 1 ]" 1
85 1 7 DC H3' 1 8 DA H8 4.100 3.400 5.100 4.807 4.676 5.137 0.037 8 0 "[ . 1 ]" 1
86 1 8 DA H1' 1 8 DA H2' 3.100 2.800 3.400 3.015 3.013 3.016 . 0 0 "[ . 1 ]" 1
87 1 8 DA H1' 1 8 DA H2'' 2.500 2.300 2.700 2.321 2.307 2.324 . 0 0 "[ . 1 ]" 1
88 1 8 DA H1' 1 8 DA H4' 3.400 3.100 3.900 3.522 3.197 3.605 . 0 0 "[ . 1 ]" 1
89 1 8 DA H1' 1 8 DA H8 3.500 3.200 4.000 3.862 3.859 3.873 . 0 0 "[ . 1 ]" 1
90 1 8 DA H2 2 2 DG H1 3.700 3.000 4.700 4.392 3.737 4.707 0.007 11 0 "[ . 1 ]" 1
91 1 8 DA H2' 1 8 DA H8 2.500 2.300 2.800 2.258 2.216 2.284 0.084 4 0 "[ . 1 ]" 1
92 1 8 DA H2'' 1 8 DA H8 3.600 3.100 4.300 3.793 3.760 3.809 . 0 0 "[ . 1 ]" 1
93 1 8 DA H3' 1 8 DA H8 3.100 2.600 3.800 3.897 3.834 3.911 0.111 5 0 "[ . 1 ]" 1
94 2 1 DT H1' 2 1 DT H2' 3.100 2.800 3.400 3.057 3.049 3.062 . 0 0 "[ . 1 ]" 1
95 2 1 DT H1' 2 1 DT H2'' 2.500 2.300 2.700 2.404 2.371 2.423 . 0 0 "[ . 1 ]" 1
96 2 1 DT H1' 2 1 DT H4' 3.400 3.100 3.900 3.356 3.243 3.415 . 0 0 "[ . 1 ]" 1
97 2 1 DT H1' 2 1 DT H6 3.400 3.100 3.900 3.718 3.710 3.725 . 0 0 "[ . 1 ]" 1
98 2 1 DT H2' 2 1 DT H6 2.500 2.300 2.800 2.272 2.265 2.281 0.035 9 0 "[ . 1 ]" 1
99 2 1 DT H2'' 2 1 DT H6 3.200 2.900 3.700 3.720 3.704 3.734 0.034 11 0 "[ . 1 ]" 1
100 2 1 DT H2'' 2 2 DG H8 3.800 3.300 4.500 3.270 3.238 3.296 0.062 11 0 "[ . 1 ]" 1
101 2 1 DT H3' 2 1 DT H6 3.500 3.000 4.200 4.111 4.009 4.187 . 0 0 "[ . 1 ]" 1
102 2 1 DT H3' 2 2 DG H8 4.000 3.500 4.700 4.573 4.444 4.726 0.026 11 0 "[ . 1 ]" 1
103 2 2 DG H1' 2 2 DG H2'' 2.300 2.100 2.500 2.346 2.342 2.349 . 0 0 "[ . 1 ]" 1
104 2 2 DG H1' 2 2 DG H4' 3.300 3.000 3.800 3.537 3.139 3.592 . 0 0 "[ . 1 ]" 1
105 2 2 DG H1' 2 2 DG H8 3.500 3.200 4.000 3.863 3.859 3.873 . 0 0 "[ . 1 ]" 1
106 2 2 DG H1' 2 3 DG H8 3.400 2.900 4.100 4.118 4.105 4.134 0.034 11 0 "[ . 1 ]" 1
107 2 2 DG H2' 2 2 DG H8 2.400 2.200 2.700 2.210 2.176 2.253 0.024 7 0 "[ . 1 ]" 1
108 2 2 DG H2' 2 3 DG H8 3.300 3.000 3.800 3.477 3.405 3.563 . 0 0 "[ . 1 ]" 1
109 2 2 DG H2'' 2 3 DG H8 3.300 3.000 3.800 2.892 2.869 2.907 0.131 11 0 "[ . 1 ]" 1
110 2 2 DG H3' 2 2 DG H8 3.300 2.800 4.000 4.066 4.059 4.074 0.074 11 0 "[ . 1 ]" 1
111 2 2 DG H3' 2 3 DG H8 4.300 3.600 5.300 5.344 5.322 5.385 0.085 11 0 "[ . 1 ]" 1
112 2 3 DG H1 2 4 DA H2 3.500 2.800 4.500 3.723 3.451 3.971 . 0 0 "[ . 1 ]" 1
113 2 3 DG H1' 2 3 DG H2' 2.800 2.500 3.100 3.058 3.057 3.059 . 0 0 "[ . 1 ]" 1
114 2 3 DG H1' 2 3 DG H2'' 2.400 2.200 2.600 2.406 2.401 2.412 . 0 0 "[ . 1 ]" 1
115 2 3 DG H1' 2 3 DG H4' 3.100 2.800 3.600 3.132 3.103 3.169 . 0 0 "[ . 1 ]" 1
116 2 3 DG H1' 2 3 DG H8 3.400 3.100 3.900 3.825 3.821 3.828 . 0 0 "[ . 1 ]" 1
117 2 3 DG H1' 2 4 DA H8 3.400 2.900 4.100 4.133 4.119 4.147 0.047 6 0 "[ . 1 ]" 1
118 2 3 DG H2' 2 3 DG H8 2.300 2.100 2.600 2.036 2.029 2.043 0.071 9 0 "[ . 1 ]" 1
119 2 3 DG H2'' 2 3 DG H8 2.800 2.500 3.300 3.357 3.341 3.386 0.086 11 0 "[ . 1 ]" 1
120 2 3 DG H2'' 2 4 DA H8 3.200 2.900 3.700 2.848 2.820 2.869 0.080 3 0 "[ . 1 ]" 1
121 2 3 DG H3' 2 3 DG H8 3.400 2.900 4.100 4.240 4.224 4.251 0.151 1 0 "[ . 1 ]" 1
122 2 3 DG H3' 2 4 DA H8 4.200 3.500 5.200 5.121 5.029 5.208 0.008 3 0 "[ . 1 ]" 1
123 2 4 DA H1' 2 4 DA H2 4.100 3.400 5.100 4.603 4.598 4.621 . 0 0 "[ . 1 ]" 1
124 2 4 DA H1' 2 4 DA H2' 2.800 2.500 3.100 3.042 3.030 3.045 . 0 0 "[ . 1 ]" 1
125 2 4 DA H1' 2 4 DA H2'' 2.400 2.200 2.600 2.371 2.348 2.378 . 0 0 "[ . 1 ]" 1
126 2 4 DA H1' 2 4 DA H4' 3.200 2.900 3.700 3.423 3.316 3.555 . 0 0 "[ . 1 ]" 1
127 2 4 DA H1' 2 4 DA H8 3.500 3.200 4.000 3.814 3.803 3.817 . 0 0 "[ . 1 ]" 1
128 2 4 DA H2' 2 4 DA H8 2.300 2.100 2.600 1.999 1.973 2.013 0.127 3 0 "[ . 1 ]" 1
129 2 4 DA H2'' 2 4 DA H8 2.800 2.500 3.300 3.440 3.424 3.448 0.148 6 0 "[ . 1 ]" 1
130 2 4 DA H3' 2 4 DA H8 3.300 2.800 4.000 4.090 4.065 4.103 0.103 7 0 "[ . 1 ]" 1
131 2 6 DC H1' 2 6 DC H2' 2.800 2.500 3.100 3.031 3.011 3.038 . 0 0 "[ . 1 ]" 1
132 2 6 DC H1' 2 6 DC H2'' 2.300 2.100 2.500 2.327 2.291 2.346 . 0 0 "[ . 1 ]" 1
133 2 6 DC H1' 2 6 DC H4' 2.800 2.500 3.300 3.134 3.053 3.296 . 0 0 "[ . 1 ]" 1
134 2 6 DC H1' 2 6 DC H6 3.500 3.200 4.000 3.717 3.708 3.735 . 0 0 "[ . 1 ]" 1
135 2 6 DC H1' 2 7 DT H6 4.000 3.500 4.700 4.657 4.605 4.726 0.026 3 0 "[ . 1 ]" 1
136 2 6 DC H2' 2 6 DC H6 2.500 2.300 2.800 2.377 2.212 2.435 0.088 3 0 "[ . 1 ]" 1
137 2 6 DC H2' 2 7 DT H6 3.000 2.700 3.500 2.929 2.817 3.044 . 0 0 "[ . 1 ]" 1
138 2 6 DC H2'' 2 6 DC H6 3.300 3.000 3.800 3.829 3.719 3.869 0.069 4 0 "[ . 1 ]" 1
139 2 6 DC H2'' 2 7 DT H6 2.900 2.600 3.400 2.648 2.597 2.744 0.003 11 0 "[ . 1 ]" 1
140 2 6 DC H3' 2 6 DC H6 3.100 2.600 3.800 3.820 3.682 3.896 0.096 10 0 "[ . 1 ]" 1
141 2 6 DC H3' 2 7 DT H6 3.800 3.300 4.500 4.500 4.433 4.577 0.077 9 0 "[ . 1 ]" 1
142 2 6 DC H6 2 7 DT H6 4.200 3.500 5.200 4.876 4.702 5.008 . 0 0 "[ . 1 ]" 1
143 2 7 DT H1' 2 7 DT H2' 2.800 2.500 3.100 3.050 3.049 3.053 . 0 0 "[ . 1 ]" 1
144 2 7 DT H1' 2 7 DT H2'' 2.300 2.100 2.500 2.377 2.372 2.386 . 0 0 "[ . 1 ]" 1
145 2 7 DT H1' 2 7 DT H4' 2.900 2.600 3.400 3.064 2.950 3.141 . 0 0 "[ . 1 ]" 1
146 2 7 DT H1' 2 7 DT H6 3.300 3.000 3.800 3.701 3.698 3.706 . 0 0 "[ . 1 ]" 1
147 2 7 DT H1' 2 8 DG H8 4.000 3.500 4.700 3.825 3.647 4.369 . 0 0 "[ . 1 ]" 1
148 2 7 DT H2' 2 7 DT H6 2.300 2.100 2.600 1.965 1.960 1.975 0.140 3 0 "[ . 1 ]" 1
149 2 7 DT H2' 2 8 DG H8 3.400 3.100 3.900 3.374 3.100 3.470 0.000 3 0 "[ . 1 ]" 1
150 2 7 DT H2'' 2 7 DT H6 2.800 2.500 3.300 3.426 3.418 3.435 0.135 6 0 "[ . 1 ]" 1
151 2 7 DT H3' 2 7 DT H6 3.100 2.600 3.800 3.883 3.861 3.908 0.108 9 0 "[ . 1 ]" 1
152 2 7 DT H3' 2 8 DG H8 4.100 3.400 5.100 5.077 4.953 5.132 0.032 6 0 "[ . 1 ]" 1
153 2 8 DG H1' 2 8 DG H2' 2.900 2.600 3.200 3.049 3.046 3.051 . 0 0 "[ . 1 ]" 1
154 2 8 DG H1' 2 8 DG H2'' 2.400 2.200 2.600 2.384 2.375 2.390 . 0 0 "[ . 1 ]" 1
155 2 8 DG H1' 2 8 DG H4' 3.100 2.800 3.600 3.296 3.188 3.363 . 0 0 "[ . 1 ]" 1
156 2 8 DG H1' 2 8 DG H8 3.500 3.200 4.000 3.822 3.817 3.827 . 0 0 "[ . 1 ]" 1
157 2 8 DG H2' 2 8 DG H8 2.300 2.100 2.600 2.008 1.995 2.019 0.105 9 0 "[ . 1 ]" 1
158 2 8 DG H2'' 2 8 DG H8 2.800 2.500 3.300 3.414 3.391 3.430 0.130 2 0 "[ . 1 ]" 1
159 2 8 DG H3' 2 8 DG H8 3.300 2.800 4.000 4.125 4.111 4.136 0.136 5 0 "[ . 1 ]" 1
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