NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560673 |
2lvy   |
18593 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvy
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 207
_Distance_constraint_stats_list.Viol_count 441
_Distance_constraint_stats_list.Viol_total 855.096
_Distance_constraint_stats_list.Viol_max 0.590
_Distance_constraint_stats_list.Viol_rms 0.0488
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0969
_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 C 2.173 0.157 13 0 "[ . 1 . 2]"
1 2 G 2.453 0.150 9 0 "[ . 1 . 2]"
1 3 C 4.643 0.244 6 0 "[ . 1 . 2]"
1 5 A 5.270 0.277 10 0 "[ . 1 . 2]"
1 6 C 0.965 0.103 4 0 "[ . 1 . 2]"
1 7 G 1.152 0.103 4 0 "[ . 1 . 2]"
1 8 C 1.300 0.104 7 0 "[ . 1 . 2]"
1 9 DT 0.802 0.104 7 0 "[ . 1 . 2]"
2 1 G 5.159 0.323 7 0 "[ . 1 . 2]"
2 2 C 3.472 0.142 20 0 "[ . 1 . 2]"
2 3 G 3.722 0.142 20 0 "[ . 1 . 2]"
2 4 U 6.366 0.183 20 0 "[ . 1 . 2]"
2 5 A 16.056 0.590 9 20 [*****-**+***********]
2 6 G 1.826 0.137 17 0 "[ . 1 . 2]"
2 7 C 0.648 0.057 5 0 "[ . 1 . 2]"
2 8 G 1.546 0.150 9 0 "[ . 1 . 2]"
2 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
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 C H1' 1 1 C H2' 2.800 2.200 3.400 2.753 2.707 2.812 . 0 0 "[ . 1 . 2]" 1
2 1 1 C H1' 1 1 C H4' 3.400 2.700 4.100 3.351 3.106 3.508 . 0 0 "[ . 1 . 2]" 1
3 1 1 C H1' 1 1 C H5' 4.600 3.700 5.500 4.774 4.649 5.180 . 0 0 "[ . 1 . 2]" 1
4 1 1 C H1' 1 1 C H5'' 4.400 3.500 5.300 5.004 4.604 5.228 . 0 0 "[ . 1 . 2]" 1
5 1 1 C H1' 1 1 C H6 3.500 2.800 4.200 3.605 3.440 3.705 . 0 0 "[ . 1 . 2]" 1
6 1 1 C H1' 1 2 G H8 3.600 2.900 4.500 4.466 3.875 4.594 0.094 16 0 "[ . 1 . 2]" 1
7 1 1 C H2' 1 2 G H8 2.400 . 2.900 1.992 1.847 2.186 . 0 0 "[ . 1 . 2]" 1
8 1 1 C H3' 1 1 C H6 3.200 2.500 3.900 2.794 2.408 3.302 0.092 17 0 "[ . 1 . 2]" 1
9 1 1 C H4' 1 1 C H6 3.900 3.100 4.700 4.026 3.846 4.222 . 0 0 "[ . 1 . 2]" 1
10 1 1 C H5 1 1 C H6 2.300 . 2.800 2.456 2.446 2.463 . 0 0 "[ . 1 . 2]" 1
11 1 1 C H5' 1 1 C H6 3.500 2.800 4.200 3.324 2.715 4.267 0.085 7 0 "[ . 1 . 2]" 1
12 1 1 C H5'' 1 1 C H6 3.500 2.800 4.200 3.580 2.643 4.147 0.157 13 0 "[ . 1 . 2]" 1
13 1 1 C H6 1 2 G H8 4.300 3.400 5.200 5.115 4.102 5.285 0.085 8 0 "[ . 1 . 2]" 1
14 1 1 C N3 2 8 G N1 2.950 2.350 3.550 2.911 2.685 3.258 . 0 0 "[ . 1 . 2]" 1
15 1 1 C N4 2 8 G O6 2.910 2.310 3.510 3.042 2.621 3.546 0.036 10 0 "[ . 1 . 2]" 1
16 1 1 C O2 2 8 G N2 2.860 2.260 3.460 2.848 2.557 3.436 . 0 0 "[ . 1 . 2]" 1
17 1 2 G H1 1 3 C H1' 5.000 . 6.000 4.728 3.981 5.482 . 0 0 "[ . 1 . 2]" 1
18 1 2 G H1 1 3 C H5 5.000 . 6.000 5.735 4.984 6.053 0.053 5 0 "[ . 1 . 2]" 1
19 1 2 G H1 2 6 G H1 4.000 . 5.000 4.151 3.502 4.852 . 0 0 "[ . 1 . 2]" 1
20 1 2 G H1 2 7 C H1' 5.000 . 6.000 4.470 3.835 5.036 . 0 0 "[ . 1 . 2]" 1
21 1 2 G H1 2 7 C H5 5.000 . 6.000 5.274 4.820 5.947 . 0 0 "[ . 1 . 2]" 1
22 1 2 G H1 2 8 G H1' 4.000 . 5.000 4.907 3.893 5.150 0.150 9 0 "[ . 1 . 2]" 1
23 1 2 G H1' 1 2 G H2' 2.700 2.200 3.200 2.738 2.706 2.794 . 0 0 "[ . 1 . 2]" 1
24 1 2 G H1' 1 2 G H3' 3.700 3.000 4.400 3.822 3.790 3.843 . 0 0 "[ . 1 . 2]" 1
25 1 2 G H1' 1 2 G H4' 3.700 2.900 4.500 3.384 3.145 3.528 . 0 0 "[ . 1 . 2]" 1
26 1 2 G H1' 1 2 G Q5' 4.800 3.800 5.800 4.386 4.324 4.421 . 0 0 "[ . 1 . 2]" 1
27 1 2 G H1' 1 2 G H8 3.500 2.800 4.200 3.739 3.603 3.818 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H1' 1 3 C H6 4.000 3.100 4.900 4.803 4.677 4.940 0.040 10 0 "[ . 1 . 2]" 1
29 1 2 G H2' 1 3 C H5 3.600 2.900 4.300 3.642 3.246 4.085 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H2' 1 3 C H6 2.700 . 3.200 2.122 2.004 2.259 . 0 0 "[ . 1 . 2]" 1
31 1 2 G H3' 1 2 G H8 3.200 2.600 3.800 3.156 2.842 3.559 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H3' 1 3 C H5 4.200 3.400 5.000 3.614 3.340 4.056 0.060 8 0 "[ . 1 . 2]" 1
33 1 2 G H3' 1 3 C H6 3.600 2.900 4.300 3.243 2.871 3.641 0.029 16 0 "[ . 1 . 2]" 1
34 1 2 G N1 2 7 C N3 2.950 2.350 3.550 3.027 2.781 3.383 . 0 0 "[ . 1 . 2]" 1
35 1 2 G N2 2 7 C O2 2.860 2.260 3.460 2.941 2.572 3.505 0.045 17 0 "[ . 1 . 2]" 1
36 1 2 G O6 2 7 C N4 2.910 2.310 3.510 3.116 2.632 3.565 0.055 13 0 "[ . 1 . 2]" 1
37 1 3 C H1' 1 3 C H2' 2.900 2.400 3.400 2.738 2.720 2.773 . 0 0 "[ . 1 . 2]" 1
38 1 3 C H1' 1 3 C H3' 3.000 2.400 3.600 3.811 3.772 3.844 0.244 6 0 "[ . 1 . 2]" 1
39 1 3 C H1' 1 3 C H4' 3.200 2.500 3.900 3.354 3.211 3.433 . 0 0 "[ . 1 . 2]" 1
40 1 3 C H1' 1 3 C Q5' 4.900 4.000 5.800 4.383 4.347 4.403 . 0 0 "[ . 1 . 2]" 1
41 1 3 C H1' 1 3 C H6 3.800 3.000 4.600 3.624 3.538 3.676 . 0 0 "[ . 1 . 2]" 1
42 1 3 C H2' 1 3 C H6 4.100 3.300 4.900 3.672 3.509 3.939 . 0 0 "[ . 1 . 2]" 1
43 1 3 C H3' 1 3 C H5 4.200 3.400 5.000 4.498 4.322 4.876 . 0 0 "[ . 1 . 2]" 1
44 1 3 C H3' 1 3 C H6 3.000 2.400 3.600 2.627 2.409 3.056 . 0 0 "[ . 1 . 2]" 1
45 1 3 C H5 1 3 C H6 2.800 . 3.400 2.455 2.450 2.467 . 0 0 "[ . 1 . 2]" 1
46 1 3 C H5 2 6 G H1 5.000 . 6.000 5.062 4.830 5.556 . 0 0 "[ . 1 . 2]" 1
47 1 3 C H5' 1 3 C H6 3.900 3.100 4.700 3.443 3.212 3.676 . 0 0 "[ . 1 . 2]" 1
48 1 3 C H5'' 1 3 C H6 4.000 3.200 4.800 3.815 3.624 4.207 . 0 0 "[ . 1 . 2]" 1
49 1 3 C N3 2 6 G N1 2.950 2.350 3.550 2.849 2.673 3.161 . 0 0 "[ . 1 . 2]" 1
50 1 3 C N4 2 6 G O6 2.910 2.310 3.510 2.955 2.629 3.517 0.007 19 0 "[ . 1 . 2]" 1
51 1 3 C O2 2 6 G N2 2.860 2.260 3.460 2.697 2.570 3.020 . 0 0 "[ . 1 . 2]" 1
52 1 5 A H1' 1 5 A H2 3.600 2.800 4.400 4.596 4.559 4.642 0.242 3 0 "[ . 1 . 2]" 1
53 1 5 A H1' 1 5 A H2' 2.600 2.100 3.100 2.739 2.710 2.783 . 0 0 "[ . 1 . 2]" 1
54 1 5 A H1' 1 5 A H4' 3.500 2.800 4.200 3.392 3.254 3.519 . 0 0 "[ . 1 . 2]" 1
55 1 5 A H1' 1 5 A H8 3.500 2.800 4.200 3.822 3.796 3.844 . 0 0 "[ . 1 . 2]" 1
56 1 5 A H1' 1 6 C H6 4.000 3.200 4.800 4.800 4.704 4.868 0.068 18 0 "[ . 1 . 2]" 1
57 1 5 A H2 1 6 C H1' 3.600 2.900 4.300 3.852 3.248 4.348 0.048 17 0 "[ . 1 . 2]" 1
58 1 5 A H2 2 3 G H1 5.000 . 6.000 5.245 4.758 5.729 . 0 0 "[ . 1 . 2]" 1
59 1 5 A H2 2 4 U H3 3.000 . 4.000 2.901 2.608 3.241 . 0 0 "[ . 1 . 2]" 1
60 1 5 A H2' 1 5 A H8 3.800 3.000 4.600 3.797 3.692 3.901 . 0 0 "[ . 1 . 2]" 1
61 1 5 A H2' 1 6 C H5 3.300 2.600 4.000 3.304 2.829 3.697 . 0 0 "[ . 1 . 2]" 1
62 1 5 A H2' 1 6 C H6 2.500 . 3.000 2.123 2.028 2.207 . 0 0 "[ . 1 . 2]" 1
63 1 5 A H3' 1 5 A H8 2.800 2.200 3.400 2.873 2.692 3.068 . 0 0 "[ . 1 . 2]" 1
64 1 5 A H3' 1 6 C H5 3.600 2.900 4.300 3.420 3.066 3.983 . 0 0 "[ . 1 . 2]" 1
65 1 5 A H3' 1 6 C H6 3.200 2.600 3.800 3.326 2.952 3.709 . 0 0 "[ . 1 . 2]" 1
66 1 5 A H5' 1 5 A H8 3.600 2.900 4.300 3.691 3.357 3.911 . 0 0 "[ . 1 . 2]" 1
67 1 5 A H5'' 1 5 A H8 3.400 2.700 4.100 4.053 3.759 4.377 0.277 10 0 "[ . 1 . 2]" 1
68 1 5 A H8 1 6 C H5 4.400 3.500 5.300 4.191 3.477 4.644 0.023 14 0 "[ . 1 . 2]" 1
69 1 5 A H8 1 6 C H6 4.700 3.800 5.600 5.153 4.647 5.644 0.044 1 0 "[ . 1 . 2]" 1
70 1 5 A N1 2 4 U N3 2.820 2.220 3.420 2.907 2.709 3.344 . 0 0 "[ . 1 . 2]" 1
71 1 5 A N6 2 4 U O4 2.950 2.350 3.550 3.010 2.600 3.398 . 0 0 "[ . 1 . 2]" 1
72 1 6 C H1' 1 6 C H2' 2.800 2.200 3.400 2.751 2.732 2.776 . 0 0 "[ . 1 . 2]" 1
73 1 6 C H1' 1 6 C H3' 3.500 2.800 4.200 3.844 3.797 3.876 . 0 0 "[ . 1 . 2]" 1
74 1 6 C H1' 1 6 C H4' 3.600 2.800 4.400 3.359 3.270 3.444 . 0 0 "[ . 1 . 2]" 1
75 1 6 C H1' 1 6 C Q5' 4.800 3.800 5.300 4.377 4.345 4.404 . 0 0 "[ . 1 . 2]" 1
76 1 6 C H1' 2 3 G H1 5.000 . 6.000 4.261 3.679 4.764 . 0 0 "[ . 1 . 2]" 1
77 1 6 C H1' 2 4 U H3 5.000 . 6.000 4.822 4.321 5.470 . 0 0 "[ . 1 . 2]" 1
78 1 6 C H2' 1 7 G H1' 4.000 3.200 4.800 4.737 4.324 4.903 0.103 4 0 "[ . 1 . 2]" 1
79 1 6 C H2' 1 7 G H8 2.400 . 2.900 2.058 1.904 2.234 . 0 0 "[ . 1 . 2]" 1
80 1 6 C H5 1 6 C H6 2.700 . 3.200 2.454 2.447 2.459 . 0 0 "[ . 1 . 2]" 1
81 1 6 C H5 2 3 G H1 5.000 . 6.000 5.243 4.459 5.939 . 0 0 "[ . 1 . 2]" 1
82 1 6 C N3 2 3 G N1 2.950 2.350 3.550 3.228 2.854 3.594 0.044 6 0 "[ . 1 . 2]" 1
83 1 6 C O2 2 3 G N2 2.860 2.260 3.460 3.015 2.659 3.505 0.045 20 0 "[ . 1 . 2]" 1
84 1 7 G H1 1 8 C H1' 5.000 . 6.000 5.504 4.791 6.045 0.045 10 0 "[ . 1 . 2]" 1
85 1 7 G H1 1 8 C H5 5.000 . 6.000 5.509 4.746 6.063 0.063 11 0 "[ . 1 . 2]" 1
86 1 7 G H1 2 1 G H1 5.000 . 6.000 4.155 3.387 5.359 . 0 0 "[ . 1 . 2]" 1
87 1 7 G H1 2 2 C H1' 5.000 . 6.000 4.322 3.665 4.808 . 0 0 "[ . 1 . 2]" 1
88 1 7 G H1 2 2 C H5 5.000 . 6.000 5.366 4.808 5.842 . 0 0 "[ . 1 . 2]" 1
89 1 7 G H1 2 3 G H1' 4.000 . 5.000 4.384 3.317 5.001 0.001 2 0 "[ . 1 . 2]" 1
90 1 7 G H1' 1 7 G H2' 2.700 2.100 3.300 2.728 2.707 2.754 . 0 0 "[ . 1 . 2]" 1
91 1 7 G H1' 1 7 G H4' 3.600 2.900 4.300 3.448 3.314 3.540 . 0 0 "[ . 1 . 2]" 1
92 1 7 G H1' 1 7 G Q5' 4.700 3.800 5.600 4.405 4.376 4.431 . 0 0 "[ . 1 . 2]" 1
93 1 7 G H1' 1 7 G H8 3.700 2.900 4.500 3.730 3.630 3.805 . 0 0 "[ . 1 . 2]" 1
94 1 7 G H1' 1 8 C H6 4.100 3.200 5.000 4.870 4.717 5.011 0.011 13 0 "[ . 1 . 2]" 1
95 1 7 G H1' 2 3 G H1 4.000 . 5.000 4.741 3.679 5.050 0.050 7 0 "[ . 1 . 2]" 1
96 1 7 G H2' 1 8 C H5 3.400 2.700 4.100 3.254 2.960 3.744 . 0 0 "[ . 1 . 2]" 1
97 1 7 G H2' 1 8 C H6 2.600 . 3.100 2.192 2.028 2.333 . 0 0 "[ . 1 . 2]" 1
98 1 7 G H3' 1 7 G H8 2.800 2.200 3.400 3.152 2.834 3.446 0.046 18 0 "[ . 1 . 2]" 1
99 1 7 G N1 2 2 C N3 2.950 2.350 3.550 3.122 2.812 3.448 . 0 0 "[ . 1 . 2]" 1
100 1 7 G N2 2 2 C O2 2.860 2.260 3.460 2.899 2.578 3.487 0.027 18 0 "[ . 1 . 2]" 1
101 1 7 G O6 2 2 C N4 2.910 2.310 3.510 3.328 2.872 3.591 0.081 7 0 "[ . 1 . 2]" 1
102 1 8 C H1' 1 8 C H2' 2.600 2.100 3.100 2.740 2.723 2.761 . 0 0 "[ . 1 . 2]" 1
103 1 8 C H1' 1 8 C H3' 3.600 2.900 4.300 3.843 3.825 3.875 . 0 0 "[ . 1 . 2]" 1
104 1 8 C H1' 1 8 C Q5' 4.700 3.600 5.800 4.382 4.355 4.414 . 0 0 "[ . 1 . 2]" 1
105 1 8 C H1' 1 9 DT H6 4.000 3.100 4.900 4.924 4.749 5.004 0.104 7 0 "[ . 1 . 2]" 1
106 1 8 C H2' 1 8 C H6 3.400 2.700 4.100 3.616 3.428 3.927 . 0 0 "[ . 1 . 2]" 1
107 1 8 C H2' 1 9 DT H6 2.600 . 3.100 2.290 2.190 2.452 . 0 0 "[ . 1 . 2]" 1
108 1 8 C H3' 1 8 C H5 4.400 3.500 5.300 4.524 4.357 4.739 . 0 0 "[ . 1 . 2]" 1
109 1 8 C H3' 1 8 C H6 3.100 2.500 3.700 2.616 2.439 3.046 0.061 13 0 "[ . 1 . 2]" 1
110 1 8 C H5 1 8 C H6 2.600 . 3.100 2.455 2.449 2.463 . 0 0 "[ . 1 . 2]" 1
111 1 8 C H5 2 1 G H1 5.000 . 6.000 5.251 4.793 6.024 0.024 19 0 "[ . 1 . 2]" 1
112 1 8 C N3 2 1 G N1 2.950 2.350 3.550 2.886 2.651 3.367 . 0 0 "[ . 1 . 2]" 1
113 1 8 C N4 2 1 G O6 2.910 2.310 3.510 2.970 2.605 3.599 0.089 11 0 "[ . 1 . 2]" 1
114 1 8 C O2 2 1 G N2 2.860 2.260 3.460 2.829 2.558 3.451 . 0 0 "[ . 1 . 2]" 1
115 2 1 G H1 2 2 C H1' 5.000 . 6.000 4.740 3.875 5.491 . 0 0 "[ . 1 . 2]" 1
116 2 1 G H1' 2 1 G H3' 3.600 2.900 4.300 3.822 3.782 3.850 . 0 0 "[ . 1 . 2]" 1
117 2 1 G H1' 2 1 G H4' 3.500 2.900 4.100 3.340 3.280 3.506 . 0 0 "[ . 1 . 2]" 1
118 2 1 G H1' 2 1 G H5' 4.900 3.900 5.900 4.766 4.588 5.214 . 0 0 "[ . 1 . 2]" 1
119 2 1 G H1' 2 1 G H5'' 4.800 3.800 5.800 4.691 4.544 5.222 . 0 0 "[ . 1 . 2]" 1
120 2 1 G H1' 2 1 G H8 3.400 2.700 4.100 3.796 3.735 3.854 . 0 0 "[ . 1 . 2]" 1
121 2 1 G H1' 2 2 C H6 3.900 3.100 4.700 4.740 4.702 4.795 0.095 18 0 "[ . 1 . 2]" 1
122 2 1 G H2' 2 1 G H8 3.200 2.600 3.800 3.840 3.665 4.014 0.214 13 0 "[ . 1 . 2]" 1
123 2 1 G H2' 2 2 C H6 2.700 . 3.200 2.038 1.975 2.097 . 0 0 "[ . 1 . 2]" 1
124 2 1 G H3' 2 1 G H8 3.300 2.700 3.900 2.934 2.656 3.214 0.044 17 0 "[ . 1 . 2]" 1
125 2 1 G H4' 2 1 G H8 3.900 3.200 4.600 4.345 4.152 4.414 . 0 0 "[ . 1 . 2]" 1
126 2 1 G H5' 2 1 G H8 3.200 2.600 3.800 3.016 2.569 4.070 0.270 19 0 "[ . 1 . 2]" 1
127 2 1 G H5'' 2 1 G H8 3.300 2.700 3.900 3.417 2.377 3.816 0.323 7 0 "[ . 1 . 2]" 1
128 2 1 G H8 2 2 C H5 4.500 3.600 5.400 4.164 3.805 4.804 . 0 0 "[ . 1 . 2]" 1
129 2 1 G H8 2 2 C H6 4.500 3.500 5.500 4.970 4.495 5.402 . 0 0 "[ . 1 . 2]" 1
130 2 2 C H1' 2 2 C H2' 2.700 2.200 3.200 2.739 2.721 2.778 . 0 0 "[ . 1 . 2]" 1
131 2 2 C H1' 2 2 C H4' 3.200 2.600 3.800 3.355 3.223 3.410 . 0 0 "[ . 1 . 2]" 1
132 2 2 C H1' 2 2 C Q5' 4.800 3.800 5.800 4.384 4.343 4.405 . 0 0 "[ . 1 . 2]" 1
133 2 2 C H1' 2 3 G H8 3.700 2.900 4.500 4.530 4.368 4.588 0.088 18 0 "[ . 1 . 2]" 1
134 2 2 C H2' 2 2 C H6 3.600 2.900 4.300 3.558 3.332 3.719 . 0 0 "[ . 1 . 2]" 1
135 2 2 C H2' 2 3 G H1' 3.700 3.000 4.400 4.467 4.284 4.542 0.142 20 0 "[ . 1 . 2]" 1
136 2 2 C H2' 2 3 G H8 2.500 . 3.000 1.953 1.899 2.056 . 0 0 "[ . 1 . 2]" 1
137 2 2 C H3' 2 3 G H8 3.300 2.600 4.000 3.519 3.327 3.739 . 0 0 "[ . 1 . 2]" 1
138 2 2 C H5 2 2 C H6 2.600 . 3.600 2.456 2.450 2.460 . 0 0 "[ . 1 . 2]" 1
139 2 3 G H1 2 4 U H1' 5.000 . 6.000 5.047 4.433 5.807 . 0 0 "[ . 1 . 2]" 1
140 2 3 G H1 2 4 U H3 4.000 . 5.000 3.454 3.011 4.287 . 0 0 "[ . 1 . 2]" 1
141 2 3 G H1' 2 3 G H4' 3.300 2.600 4.000 3.414 3.253 3.519 . 0 0 "[ . 1 . 2]" 1
142 2 3 G H1' 2 3 G Q5' 4.800 3.800 5.800 4.402 4.360 4.426 . 0 0 "[ . 1 . 2]" 1
143 2 3 G H1' 2 3 G H8 3.600 2.800 4.400 3.720 3.616 3.791 . 0 0 "[ . 1 . 2]" 1
144 2 3 G H1' 2 4 U H6 4.100 3.200 5.000 4.866 4.695 5.033 0.033 16 0 "[ . 1 . 2]" 1
145 2 3 G H2' 2 4 U H1' 3.600 2.900 4.300 4.306 3.938 4.430 0.130 10 0 "[ . 1 . 2]" 1
146 2 3 G H2' 2 4 U H6 2.500 . 3.000 2.198 2.033 2.392 . 0 0 "[ . 1 . 2]" 1
147 2 3 G Q5' 2 3 G H8 3.500 2.800 4.200 3.429 3.225 3.696 . 0 0 "[ . 1 . 2]" 1
148 2 3 G H8 2 4 U H5 4.200 3.400 5.000 4.624 3.911 5.021 0.021 19 0 "[ . 1 . 2]" 1
149 2 4 U H1' 2 4 U H2' 2.700 2.200 3.200 2.765 2.735 2.791 . 0 0 "[ . 1 . 2]" 1
150 2 4 U H1' 2 4 U H3 5.000 . 6.000 4.532 4.487 4.583 . 0 0 "[ . 1 . 2]" 1
151 2 4 U H1' 2 4 U H3' 3.700 3.000 4.400 3.846 3.806 3.877 . 0 0 "[ . 1 . 2]" 1
152 2 4 U H1' 2 4 U Q5' 5.100 4.100 6.100 4.363 4.322 4.390 . 0 0 "[ . 1 . 2]" 1
153 2 4 U H1' 2 4 U H6 3.900 3.100 4.700 3.624 3.565 3.678 . 0 0 "[ . 1 . 2]" 1
154 2 4 U H1' 2 5 A H8 3.700 2.900 4.500 4.628 4.579 4.674 0.174 8 0 "[ . 1 . 2]" 1
155 2 4 U H2' 2 4 U H6 3.700 3.000 4.400 3.599 3.342 3.843 . 0 0 "[ . 1 . 2]" 1
156 2 4 U H2' 2 5 A H1' 3.700 2.900 4.500 4.439 4.170 4.623 0.123 12 0 "[ . 1 . 2]" 1
157 2 4 U H2' 2 5 A H8 2.500 . 3.000 1.978 1.907 2.052 . 0 0 "[ . 1 . 2]" 1
158 2 4 U H3 2 5 A H1' 5.000 . 6.000 5.711 5.055 6.002 0.002 6 0 "[ . 1 . 2]" 1
159 2 4 U H3 2 5 A H2 5.000 . 6.000 5.736 5.173 6.047 0.047 10 0 "[ . 1 . 2]" 1
160 2 4 U H3' 2 4 U H6 3.100 2.500 3.700 2.771 2.456 3.030 0.044 10 0 "[ . 1 . 2]" 1
161 2 4 U H3' 2 5 A H8 3.400 2.700 4.100 3.292 2.815 3.536 . 0 0 "[ . 1 . 2]" 1
162 2 4 U H5 2 4 U H6 2.700 . 3.700 2.416 2.409 2.427 . 0 0 "[ . 1 . 2]" 1
163 2 4 U Q5' 2 4 U H6 4.200 3.400 5.000 3.311 3.217 3.408 0.183 20 0 "[ . 1 . 2]" 1
164 2 4 U H6 2 5 A H8 4.400 3.500 5.300 5.031 4.129 5.383 0.083 9 0 "[ . 1 . 2]" 1
165 2 5 A H1' 2 5 A H2 3.300 2.600 4.000 4.546 4.505 4.590 0.590 9 20 [*****-**+***********] 1
166 2 5 A H1' 2 5 A H3' 3.900 3.200 4.600 3.813 3.775 3.849 . 0 0 "[ . 1 . 2]" 1
167 2 5 A H1' 2 5 A H4' 3.500 2.900 4.100 3.447 3.322 3.549 . 0 0 "[ . 1 . 2]" 1
168 2 5 A H1' 2 5 A Q5' 4.900 3.900 5.900 4.397 4.367 4.415 . 0 0 "[ . 1 . 2]" 1
169 2 5 A H1' 2 5 A H8 3.600 2.800 4.400 3.835 3.809 3.861 . 0 0 "[ . 1 . 2]" 1
170 2 5 A H1' 2 6 G H8 3.600 2.800 4.400 4.452 4.281 4.537 0.137 17 0 "[ . 1 . 2]" 1
171 2 5 A H2 2 6 G H1 5.000 . 6.000 5.083 4.509 5.702 . 0 0 "[ . 1 . 2]" 1
172 2 5 A H2 2 6 G H1' 3.300 2.600 4.000 3.704 3.259 4.032 0.032 9 0 "[ . 1 . 2]" 1
173 2 5 A H2' 2 5 A H8 3.300 2.600 4.000 3.834 3.711 3.942 . 0 0 "[ . 1 . 2]" 1
174 2 5 A H2' 2 6 G H1' 3.500 2.800 4.200 4.006 3.661 4.279 0.079 19 0 "[ . 1 . 2]" 1
175 2 5 A H2' 2 6 G H8 2.500 . 3.000 1.901 1.855 1.983 . 0 0 "[ . 1 . 2]" 1
176 2 5 A H3' 2 5 A H8 3.100 2.500 3.700 2.811 2.666 2.971 . 0 0 "[ . 1 . 2]" 1
177 2 5 A H3' 2 6 G H8 3.400 2.700 4.100 3.263 3.011 3.456 . 0 0 "[ . 1 . 2]" 1
178 2 5 A H5' 2 5 A H8 3.900 3.200 4.600 3.589 3.305 3.898 . 0 0 "[ . 1 . 2]" 1
179 2 5 A H5'' 2 5 A H8 3.500 2.800 4.200 3.996 3.709 4.298 0.098 14 0 "[ . 1 . 2]" 1
180 2 5 A H8 2 6 G H8 4.400 3.500 5.300 4.749 4.377 5.342 0.042 17 0 "[ . 1 . 2]" 1
181 2 6 G H1 2 7 C H1' 5.000 . 6.000 5.293 4.175 6.009 0.009 5 0 "[ . 1 . 2]" 1
182 2 6 G H1 2 7 C H5 5.000 . 6.000 5.863 5.407 6.054 0.054 2 0 "[ . 1 . 2]" 1
183 2 6 G H1' 2 6 G H2' 2.700 2.200 3.200 2.772 2.746 2.800 . 0 0 "[ . 1 . 2]" 1
184 2 6 G H1' 2 6 G H4' 3.300 2.700 3.900 3.250 3.162 3.377 . 0 0 "[ . 1 . 2]" 1
185 2 6 G H1' 2 6 G Q5' 4.900 4.000 5.800 4.365 4.326 4.398 . 0 0 "[ . 1 . 2]" 1
186 2 6 G H1' 2 6 G H8 3.700 2.900 4.500 3.781 3.722 3.841 . 0 0 "[ . 1 . 2]" 1
187 2 6 G H2' 2 6 G H8 3.800 3.000 4.600 3.859 3.689 3.989 . 0 0 "[ . 1 . 2]" 1
188 2 6 G H2' 2 7 C H5 3.600 2.900 4.300 3.200 2.860 3.659 0.040 15 0 "[ . 1 . 2]" 1
189 2 6 G H2' 2 7 C H6 2.600 . 3.100 2.157 2.023 2.382 . 0 0 "[ . 1 . 2]" 1
190 2 6 G H3' 2 6 G H8 3.200 2.600 3.800 3.166 2.882 3.461 . 0 0 "[ . 1 . 2]" 1
191 2 6 G Q5' 2 6 G H8 3.700 3.000 4.400 3.700 3.484 3.887 . 0 0 "[ . 1 . 2]" 1
192 2 6 G H8 2 7 C H5 4.500 3.600 5.400 4.691 4.271 5.327 . 0 0 "[ . 1 . 2]" 1
193 2 7 C H1' 2 7 C H2' 2.700 2.200 3.200 2.756 2.722 2.779 . 0 0 "[ . 1 . 2]" 1
194 2 7 C H1' 2 7 C H3' 3.400 2.800 4.000 3.851 3.804 3.895 . 0 0 "[ . 1 . 2]" 1
195 2 7 C H1' 2 7 C H4' 3.500 2.800 4.200 3.357 3.272 3.455 . 0 0 "[ . 1 . 2]" 1
196 2 7 C H1' 2 7 C Q5' 4.500 3.500 5.500 4.382 4.360 4.408 . 0 0 "[ . 1 . 2]" 1
197 2 7 C H1' 2 7 C H6 3.800 3.000 4.600 3.670 3.642 3.701 . 0 0 "[ . 1 . 2]" 1
198 2 7 C H1' 2 8 G H8 3.900 3.100 4.700 4.619 3.935 4.757 0.057 5 0 "[ . 1 . 2]" 1
199 2 7 C H2' 2 7 C H6 3.000 2.400 3.600 3.445 3.284 3.597 . 0 0 "[ . 1 . 2]" 1
200 2 7 C H2' 2 8 G H8 2.300 . 2.800 2.115 1.978 2.336 . 0 0 "[ . 1 . 2]" 1
201 2 7 C H5 2 7 C H6 2.700 . 3.700 2.456 2.450 2.461 . 0 0 "[ . 1 . 2]" 1
202 2 8 G H1' 2 8 G H2' 2.700 2.100 3.300 2.739 2.710 2.821 . 0 0 "[ . 1 . 2]" 1
203 2 8 G H1' 2 8 G H3' 3.200 2.600 3.800 3.830 3.781 3.876 0.076 8 0 "[ . 1 . 2]" 1
204 2 8 G H1' 2 8 G H4' 3.400 2.800 4.000 3.416 3.132 3.536 . 0 0 "[ . 1 . 2]" 1
205 2 8 G H1' 2 8 G Q5' 4.500 3.500 5.500 4.390 4.285 4.439 . 0 0 "[ . 1 . 2]" 1
206 2 8 G H1' 2 8 G H8 3.300 2.600 4.000 3.767 3.385 3.845 . 0 0 "[ . 1 . 2]" 1
207 2 8 G H2' 2 9 DT H6 2.600 . 3.100 2.839 2.436 3.063 . 0 0 "[ . 1 . 2]" 1
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