NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645848 |
6pvr   |
30645 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6pvr
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 98
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 286.840
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0709
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0293
_Distance_constraint_stats_list.Viol_average_violations_only 0.1456
_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 4 PRO 0.203 0.173 7 0 "[ . 1]"
1 5 PHE 0.935 0.174 3 0 "[ . 1]"
1 7 ILE 0.422 0.206 4 0 "[ . 1]"
1 16 SER 0.131 0.105 2 0 "[ . 1]"
1 18 LEU 0.094 0.094 5 0 "[ . 1]"
1 19 HIS 0.993 0.276 10 0 "[ . 1]"
1 20 PHE 6.338 0.367 9 0 "[ . 1]"
1 21 MET 1.813 0.370 7 0 "[ . 1]"
1 22 ALA 0.754 0.266 6 0 "[ . 1]"
1 23 TRP 2.781 0.362 2 0 "[ . 1]"
2 4 PRO 0.157 0.118 9 0 "[ . 1]"
2 5 PHE 0.820 0.213 4 0 "[ . 1]"
2 7 ILE 0.778 0.174 3 0 "[ . 1]"
2 16 SER 0.045 0.045 10 0 "[ . 1]"
2 18 LEU 0.037 0.037 5 0 "[ . 1]"
2 19 HIS 1.249 0.229 6 0 "[ . 1]"
2 20 PHE 6.311 0.355 5 0 "[ . 1]"
2 21 MET 2.118 0.367 9 0 "[ . 1]"
2 22 ALA 0.424 0.094 1 0 "[ . 1]"
2 23 TRP 2.728 0.310 8 0 "[ . 1]"
3 4 PRO 0.420 0.140 7 0 "[ . 1]"
3 5 PHE 0.808 0.235 5 0 "[ . 1]"
3 7 ILE 0.400 0.213 4 0 "[ . 1]"
3 16 SER 0.006 0.006 3 0 "[ . 1]"
3 18 LEU 0.000 0.000 . 0 "[ . 1]"
3 19 HIS 1.187 0.212 1 0 "[ . 1]"
3 20 PHE 6.018 0.362 5 0 "[ . 1]"
3 21 MET 2.111 0.330 4 0 "[ . 1]"
3 22 ALA 1.244 0.290 8 0 "[ . 1]"
3 23 TRP 2.258 0.355 5 0 "[ . 1]"
4 4 PRO 0.401 0.211 7 0 "[ . 1]"
4 5 PHE 0.624 0.206 4 0 "[ . 1]"
4 7 ILE 0.407 0.235 5 0 "[ . 1]"
4 16 SER 0.158 0.119 10 0 "[ . 1]"
4 18 LEU 0.000 0.000 . 0 "[ . 1]"
4 19 HIS 1.109 0.182 1 0 "[ . 1]"
4 20 PHE 6.031 0.370 7 0 "[ . 1]"
4 21 MET 1.374 0.362 5 0 "[ . 1]"
4 22 ALA 1.201 0.290 8 0 "[ . 1]"
4 23 TRP 2.480 0.328 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 20 PHE HZ 2 16 SER CB 6.200 4.700 9.200 8.958 8.448 9.245 0.045 10 0 "[ . 1]" 1
2 1 20 PHE HZ 2 18 LEU CD2 6.300 5.300 7.300 6.417 5.758 7.042 . 0 0 "[ . 1]" 1
3 1 20 PHE HZ 2 18 LEU CD1 5.100 4.100 6.100 5.369 4.601 5.749 . 0 0 "[ . 1]" 1
4 1 20 PHE HZ 2 18 LEU CB 4.900 3.900 5.900 4.566 3.863 4.928 0.037 5 0 "[ . 1]" 1
5 1 20 PHE HZ 2 18 LEU CA 5.000 3.500 6.000 5.037 4.598 5.283 . 0 0 "[ . 1]" 1
6 1 20 PHE HZ 2 19 HIS CA 5.200 4.000 6.400 3.936 3.771 4.404 0.229 6 0 "[ . 1]" 1
7 1 20 PHE HZ 2 19 HIS CD2 6.000 5.000 7.000 5.797 4.897 6.487 0.103 2 0 "[ . 1]" 1
8 1 20 PHE HZ 2 21 MET CA 6.200 4.100 9.500 7.584 7.447 7.750 . 0 0 "[ . 1]" 1
9 1 20 PHE HZ 2 21 MET CB 6.100 5.100 7.100 7.312 7.174 7.467 0.367 9 0 "[ . 1]" 1
10 1 20 PHE HZ 2 22 ALA CA 5.800 4.000 7.900 6.197 6.038 6.549 . 0 0 "[ . 1]" 1
11 1 20 PHE HZ 2 22 ALA CB 5.900 4.900 6.900 4.947 4.806 5.346 0.094 1 0 "[ . 1]" 1
12 1 20 PHE HZ 2 23 TRP CG 6.000 5.000 7.800 8.020 7.922 8.110 0.310 8 0 "[ . 1]" 1
13 1 20 PHE HZ 2 23 TRP CE3 16.400 7.400 26.400 10.057 7.411 10.716 . 0 0 "[ . 1]" 1
14 1 20 PHE HZ 2 23 TRP CH2 16.400 7.400 26.400 10.837 7.262 12.008 0.138 5 0 "[ . 1]" 1
15 1 20 PHE HZ 2 23 TRP CZ3 16.400 7.400 26.400 10.930 7.270 11.843 0.130 5 0 "[ . 1]" 1
16 2 20 PHE HZ 3 16 SER CB 6.200 4.700 9.200 9.050 8.688 9.206 0.006 3 0 "[ . 1]" 1
17 2 20 PHE HZ 3 18 LEU CD2 6.300 5.300 7.300 6.522 5.805 7.079 . 0 0 "[ . 1]" 1
18 2 20 PHE HZ 3 18 LEU CD1 5.100 4.100 6.100 5.473 4.678 5.996 . 0 0 "[ . 1]" 1
19 2 20 PHE HZ 3 18 LEU CB 4.900 3.900 5.900 4.679 3.986 5.080 . 0 0 "[ . 1]" 1
20 2 20 PHE HZ 3 18 LEU CA 5.000 3.500 6.000 5.120 4.742 5.379 . 0 0 "[ . 1]" 1
21 2 20 PHE HZ 3 19 HIS CA 5.200 4.000 6.400 3.942 3.788 4.502 0.212 1 0 "[ . 1]" 1
22 2 20 PHE HZ 3 19 HIS CD2 6.000 5.000 7.000 5.749 4.906 6.404 0.094 2 0 "[ . 1]" 1
23 2 20 PHE HZ 3 21 MET CA 6.200 4.100 9.500 7.557 7.401 7.761 . 0 0 "[ . 1]" 1
24 2 20 PHE HZ 3 21 MET CB 6.100 5.100 7.100 7.311 7.095 7.430 0.330 4 0 "[ . 1]" 1
25 2 20 PHE HZ 3 22 ALA CA 5.800 4.000 7.900 6.104 5.911 6.520 . 0 0 "[ . 1]" 1
26 2 20 PHE HZ 3 22 ALA CB 5.900 4.900 6.900 4.847 4.610 5.287 0.290 8 0 "[ . 1]" 1
27 2 20 PHE HZ 3 23 TRP CG 6.000 5.000 7.800 7.895 7.472 8.155 0.355 5 0 "[ . 1]" 1
28 2 20 PHE HZ 3 23 TRP CE3 16.400 7.400 26.400 9.934 7.386 10.603 0.014 5 0 "[ . 1]" 1
29 2 20 PHE HZ 3 23 TRP CH2 16.400 7.400 26.400 10.709 7.213 11.742 0.187 5 0 "[ . 1]" 1
30 2 20 PHE HZ 3 23 TRP CZ3 16.400 7.400 26.400 10.805 7.214 11.691 0.186 5 0 "[ . 1]" 1
31 3 20 PHE HZ 4 16 SER CB 6.200 4.700 9.200 9.009 8.521 9.319 0.119 10 0 "[ . 1]" 1
32 3 20 PHE HZ 4 18 LEU CD2 6.300 5.300 7.300 6.376 5.865 7.016 . 0 0 "[ . 1]" 1
33 3 20 PHE HZ 4 18 LEU CD1 5.100 4.100 6.100 5.354 4.720 5.758 . 0 0 "[ . 1]" 1
34 3 20 PHE HZ 4 18 LEU CB 4.900 3.900 5.900 4.545 4.018 4.947 . 0 0 "[ . 1]" 1
35 3 20 PHE HZ 4 18 LEU CA 5.000 3.500 6.000 5.006 4.657 5.305 . 0 0 "[ . 1]" 1
36 3 20 PHE HZ 4 19 HIS CA 5.200 4.000 6.400 3.931 3.818 4.246 0.182 1 0 "[ . 1]" 1
37 3 20 PHE HZ 4 19 HIS CD2 6.000 5.000 7.000 5.839 4.927 6.574 0.073 3 0 "[ . 1]" 1
38 3 20 PHE HZ 4 21 MET CA 6.200 4.100 9.500 7.509 7.400 7.778 . 0 0 "[ . 1]" 1
39 3 20 PHE HZ 4 21 MET CB 6.100 5.100 7.100 7.237 7.117 7.462 0.362 5 0 "[ . 1]" 1
40 3 20 PHE HZ 4 22 ALA CA 5.800 4.000 7.900 6.095 5.891 6.617 . 0 0 "[ . 1]" 1
41 3 20 PHE HZ 4 22 ALA CB 5.900 4.900 6.900 4.843 4.610 5.391 0.290 8 0 "[ . 1]" 1
42 3 20 PHE HZ 4 23 TRP CG 6.000 5.000 7.800 7.981 7.792 8.128 0.328 5 0 "[ . 1]" 1
43 3 20 PHE HZ 4 23 TRP CE3 16.400 7.400 26.400 10.019 7.401 10.718 . 0 0 "[ . 1]" 1
44 3 20 PHE HZ 4 23 TRP CH2 16.400 7.400 26.400 10.814 7.209 11.991 0.191 5 0 "[ . 1]" 1
45 3 20 PHE HZ 4 23 TRP CZ3 16.400 7.400 26.400 10.897 7.236 11.855 0.164 5 0 "[ . 1]" 1
46 1 16 SER CB 4 20 PHE HZ 6.200 4.700 9.200 9.003 8.475 9.305 0.105 2 0 "[ . 1]" 1
47 1 18 LEU CD2 4 20 PHE HZ 6.300 5.300 7.300 6.395 5.681 7.060 . 0 0 "[ . 1]" 1
48 1 18 LEU CD1 4 20 PHE HZ 5.100 4.100 6.100 5.360 4.554 5.812 . 0 0 "[ . 1]" 1
49 1 18 LEU CB 4 20 PHE HZ 4.900 3.900 5.900 4.559 3.806 4.995 0.094 5 0 "[ . 1]" 1
50 1 18 LEU CA 4 20 PHE HZ 5.000 3.500 6.000 5.029 4.539 5.332 . 0 0 "[ . 1]" 1
51 1 19 HIS CA 4 20 PHE HZ 5.200 4.000 6.400 3.950 3.724 4.367 0.276 10 0 "[ . 1]" 1
52 1 19 HIS CD2 4 20 PHE HZ 6.000 5.000 7.000 5.825 5.049 6.514 . 0 0 "[ . 1]" 1
53 1 21 MET CA 4 20 PHE HZ 6.200 4.100 9.500 7.548 7.391 7.732 . 0 0 "[ . 1]" 1
54 1 21 MET CB 4 20 PHE HZ 6.100 5.100 7.100 7.276 7.047 7.470 0.370 7 0 "[ . 1]" 1
55 1 22 ALA CA 4 20 PHE HZ 5.800 4.000 7.900 6.139 5.911 6.474 . 0 0 "[ . 1]" 1
56 1 22 ALA CB 4 20 PHE HZ 5.900 4.900 6.900 4.888 4.634 5.274 0.266 6 0 "[ . 1]" 1
57 1 23 TRP CG 4 20 PHE HZ 6.000 5.000 7.800 7.996 7.871 8.162 0.362 2 0 "[ . 1]" 1
58 1 23 TRP CE3 4 20 PHE HZ 16.400 7.400 26.400 10.042 7.390 10.777 0.010 5 0 "[ . 1]" 1
59 1 23 TRP CH2 4 20 PHE HZ 16.400 7.400 26.400 10.835 7.269 11.972 0.131 5 0 "[ . 1]" 1
60 1 23 TRP CZ3 4 20 PHE HZ 16.400 7.400 26.400 10.922 7.256 11.871 0.144 5 0 "[ . 1]" 1
61 1 5 PHE HZ 2 4 PRO CA 5.600 4.600 6.600 4.773 4.482 5.263 0.118 9 0 "[ . 1]" 1
62 1 5 PHE HZ 2 4 PRO CD 5.900 4.900 6.900 6.317 6.036 6.594 . 0 0 "[ . 1]" 1
63 1 5 PHE HZ 2 7 ILE CD1 4.100 . 5.100 4.515 3.556 5.227 0.127 3 0 "[ . 1]" 1
64 1 5 PHE HZ 2 7 ILE CG2 5.400 4.400 6.400 6.064 5.303 6.574 0.174 3 0 "[ . 1]" 1
65 1 5 PHE HZ 2 7 ILE CG1 5.100 4.100 6.100 5.161 4.313 5.976 . 0 0 "[ . 1]" 1
66 1 5 PHE HZ 2 7 ILE CB 5.400 4.400 6.400 5.843 5.198 6.334 . 0 0 "[ . 1]" 1
67 1 5 PHE HZ 2 7 ILE CA 5.500 . 9.700 6.771 6.353 7.526 . 0 0 "[ . 1]" 1
68 2 5 PHE HZ 3 4 PRO CA 5.600 4.600 6.600 4.793 4.460 5.524 0.140 7 0 "[ . 1]" 1
69 2 5 PHE HZ 3 4 PRO CD 5.900 4.900 6.900 6.389 6.000 6.910 0.010 9 0 "[ . 1]" 1
70 2 5 PHE HZ 3 7 ILE CD1 4.100 . 5.100 4.433 3.549 5.172 0.072 8 0 "[ . 1]" 1
71 2 5 PHE HZ 3 7 ILE CG2 5.400 4.400 6.400 5.993 4.903 6.613 0.213 4 0 "[ . 1]" 1
72 2 5 PHE HZ 3 7 ILE CG1 5.100 4.100 6.100 5.061 4.232 6.133 0.033 2 0 "[ . 1]" 1
73 2 5 PHE HZ 3 7 ILE CB 5.400 4.400 6.400 5.733 4.780 6.296 . 0 0 "[ . 1]" 1
74 2 5 PHE HZ 3 7 ILE CA 5.500 . 9.700 6.666 5.874 7.343 . 0 0 "[ . 1]" 1
75 3 5 PHE HZ 4 4 PRO CA 5.600 4.600 6.600 4.799 4.389 5.542 0.211 7 0 "[ . 1]" 1
76 3 5 PHE HZ 4 4 PRO CD 5.900 4.900 6.900 6.393 6.004 6.796 . 0 0 "[ . 1]" 1
77 3 5 PHE HZ 4 7 ILE CD1 4.100 . 5.100 4.418 3.275 5.146 0.046 3 0 "[ . 1]" 1
78 3 5 PHE HZ 4 7 ILE CG2 5.400 4.400 6.400 5.902 4.739 6.635 0.235 5 0 "[ . 1]" 1
79 3 5 PHE HZ 4 7 ILE CG1 5.100 4.100 6.100 5.055 4.050 6.143 0.050 10 0 "[ . 1]" 1
80 3 5 PHE HZ 4 7 ILE CB 5.400 4.400 6.400 5.709 4.629 6.342 . 0 0 "[ . 1]" 1
81 3 5 PHE HZ 4 7 ILE CA 5.500 . 9.700 6.649 5.778 7.273 . 0 0 "[ . 1]" 1
82 1 4 PRO CA 4 5 PHE HZ 5.600 4.600 6.600 4.767 4.427 5.324 0.173 7 0 "[ . 1]" 1
83 1 4 PRO CD 4 5 PHE HZ 5.900 4.900 6.900 6.332 6.076 6.730 . 0 0 "[ . 1]" 1
84 1 7 ILE CD1 4 5 PHE HZ 4.100 . 5.100 4.440 3.353 5.194 0.094 8 0 "[ . 1]" 1
85 1 7 ILE CG2 4 5 PHE HZ 5.400 4.400 6.400 5.984 5.295 6.606 0.206 4 0 "[ . 1]" 1
86 1 7 ILE CG1 4 5 PHE HZ 5.100 4.100 6.100 5.081 4.125 6.142 0.042 2 0 "[ . 1]" 1
87 1 7 ILE CB 4 5 PHE HZ 5.400 4.400 6.400 5.748 5.113 6.328 . 0 0 "[ . 1]" 1
88 1 7 ILE CA 4 5 PHE HZ 5.500 . 9.700 6.685 6.125 7.406 . 0 0 "[ . 1]" 1
89 1 23 TRP HZ3 2 23 TRP HZ3 9.500 8.500 10.500 8.985 8.659 10.060 . 0 0 "[ . 1]" 1
90 1 23 TRP HZ3 3 23 TRP HZ3 13.400 12.400 14.400 12.636 12.212 14.002 0.188 3 0 "[ . 1]" 1
91 2 23 TRP HZ3 3 23 TRP HZ3 9.500 8.500 10.500 8.912 8.590 9.746 . 0 0 "[ . 1]" 1
92 2 23 TRP HZ3 4 23 TRP HZ3 13.400 12.400 14.400 12.731 12.280 14.429 0.120 9 0 "[ . 1]" 1
93 3 23 TRP HZ3 4 23 TRP HZ3 9.500 8.500 10.500 9.011 8.656 10.278 . 0 0 "[ . 1]" 1
94 1 23 TRP HZ3 4 23 TRP HZ3 9.500 8.500 10.500 8.969 8.459 10.134 0.041 8 0 "[ . 1]" 1
95 1 5 PHE HZ 2 5 PHE HZ 9.400 7.400 14.400 11.857 8.987 13.647 . 0 0 "[ . 1]" 1
96 2 5 PHE HZ 3 5 PHE HZ 9.400 7.400 14.400 11.875 9.484 13.085 . 0 0 "[ . 1]" 1
97 3 5 PHE HZ 4 5 PHE HZ 9.400 7.400 14.400 11.870 8.427 13.631 . 0 0 "[ . 1]" 1
98 1 5 PHE HZ 4 5 PHE HZ 9.400 7.400 14.400 11.862 9.014 13.533 . 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 152
_Distance_constraint_stats_list.Viol_count 963
_Distance_constraint_stats_list.Viol_total 544.368
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0442
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0358
_Distance_constraint_stats_list.Viol_average_violations_only 0.0565
_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 6 GLN 0.122 0.044 9 0 "[ . 1]"
1 7 ILE 0.854 0.173 5 0 "[ . 1]"
1 8 LEU 0.417 0.108 9 0 "[ . 1]"
1 9 SER 0.129 0.057 9 0 "[ . 1]"
1 10 ILE 0.523 0.079 5 0 "[ . 1]"
1 11 CYS 1.381 0.173 5 0 "[ . 1]"
1 12 SER 0.932 0.119 5 0 "[ . 1]"
1 13 PHE 0.586 0.138 7 0 "[ . 1]"
1 14 ILE 0.726 0.079 5 0 "[ . 1]"
1 15 LEU 1.155 0.142 9 0 "[ . 1]"
1 16 SER 1.973 0.131 10 0 "[ . 1]"
1 17 ALA 1.680 0.183 10 0 "[ . 1]"
1 18 LEU 1.342 0.094 8 0 "[ . 1]"
1 19 HIS 1.950 0.161 9 0 "[ . 1]"
1 20 PHE 2.075 0.131 10 0 "[ . 1]"
1 21 MET 3.872 0.183 10 0 "[ . 1]"
1 22 ALA 1.386 0.094 8 0 "[ . 1]"
1 23 TRP 1.477 0.161 9 0 "[ . 1]"
1 24 THR 0.953 0.075 5 0 "[ . 1]"
1 25 ILE 2.649 0.159 3 0 "[ . 1]"
1 26 GLY 0.368 0.051 4 0 "[ . 1]"
1 27 HIS 0.154 0.034 8 0 "[ . 1]"
1 28 LEU 0.336 0.075 5 0 "[ . 1]"
2 6 GLN 0.123 0.042 9 0 "[ . 1]"
2 7 ILE 0.876 0.179 5 0 "[ . 1]"
2 8 LEU 0.415 0.100 9 0 "[ . 1]"
2 9 SER 0.132 0.059 9 0 "[ . 1]"
2 10 ILE 0.554 0.087 5 0 "[ . 1]"
2 11 CYS 1.395 0.179 5 0 "[ . 1]"
2 12 SER 0.936 0.120 5 0 "[ . 1]"
2 13 PHE 0.587 0.147 7 0 "[ . 1]"
2 14 ILE 0.743 0.087 5 0 "[ . 1]"
2 15 LEU 1.149 0.142 9 0 "[ . 1]"
2 16 SER 1.967 0.128 10 0 "[ . 1]"
2 17 ALA 1.693 0.180 10 0 "[ . 1]"
2 18 LEU 1.352 0.102 8 0 "[ . 1]"
2 19 HIS 1.937 0.160 9 0 "[ . 1]"
2 20 PHE 2.045 0.128 10 0 "[ . 1]"
2 21 MET 3.920 0.180 10 0 "[ . 1]"
2 22 ALA 1.413 0.102 8 0 "[ . 1]"
2 23 TRP 1.460 0.160 9 0 "[ . 1]"
2 24 THR 0.909 0.071 5 0 "[ . 1]"
2 25 ILE 2.682 0.162 8 0 "[ . 1]"
2 26 GLY 0.373 0.052 4 0 "[ . 1]"
2 27 HIS 0.153 0.033 8 0 "[ . 1]"
2 28 LEU 0.310 0.071 5 0 "[ . 1]"
3 6 GLN 0.131 0.044 9 0 "[ . 1]"
3 7 ILE 0.860 0.178 5 0 "[ . 1]"
3 8 LEU 0.428 0.102 9 0 "[ . 1]"
3 9 SER 0.121 0.059 9 0 "[ . 1]"
3 10 ILE 0.547 0.085 5 0 "[ . 1]"
3 11 CYS 1.384 0.178 5 0 "[ . 1]"
3 12 SER 0.952 0.120 5 0 "[ . 1]"
3 13 PHE 0.589 0.144 7 0 "[ . 1]"
3 14 ILE 0.734 0.085 5 0 "[ . 1]"
3 15 LEU 1.163 0.143 9 0 "[ . 1]"
3 16 SER 1.962 0.135 10 0 "[ . 1]"
3 17 ALA 1.677 0.186 10 0 "[ . 1]"
3 18 LEU 1.375 0.117 8 0 "[ . 1]"
3 19 HIS 1.983 0.162 9 0 "[ . 1]"
3 20 PHE 2.071 0.135 10 0 "[ . 1]"
3 21 MET 3.859 0.186 10 0 "[ . 1]"
3 22 ALA 1.446 0.117 8 0 "[ . 1]"
3 23 TRP 1.511 0.162 9 0 "[ . 1]"
3 24 THR 0.933 0.072 5 0 "[ . 1]"
3 25 ILE 2.650 0.161 3 0 "[ . 1]"
3 26 GLY 0.389 0.055 8 0 "[ . 1]"
3 27 HIS 0.167 0.039 8 0 "[ . 1]"
3 28 LEU 0.299 0.072 5 0 "[ . 1]"
4 6 GLN 0.137 0.045 9 0 "[ . 1]"
4 7 ILE 0.887 0.181 5 0 "[ . 1]"
4 8 LEU 0.436 0.102 9 0 "[ . 1]"
4 9 SER 0.137 0.058 9 0 "[ . 1]"
4 10 ILE 0.598 0.091 5 0 "[ . 1]"
4 11 CYS 1.394 0.181 5 0 "[ . 1]"
4 12 SER 0.973 0.120 5 0 "[ . 1]"
4 13 PHE 0.590 0.141 7 0 "[ . 1]"
4 14 ILE 0.816 0.091 5 0 "[ . 1]"
4 15 LEU 1.132 0.147 9 0 "[ . 1]"
4 16 SER 1.964 0.129 10 0 "[ . 1]"
4 17 ALA 1.692 0.175 10 0 "[ . 1]"
4 18 LEU 1.411 0.101 8 0 "[ . 1]"
4 19 HIS 1.960 0.158 9 0 "[ . 1]"
4 20 PHE 2.024 0.129 10 0 "[ . 1]"
4 21 MET 3.899 0.175 10 0 "[ . 1]"
4 22 ALA 1.451 0.101 8 0 "[ . 1]"
4 23 TRP 1.504 0.158 9 0 "[ . 1]"
4 24 THR 0.924 0.074 5 0 "[ . 1]"
4 25 ILE 2.660 0.158 8 0 "[ . 1]"
4 26 GLY 0.396 0.052 8 0 "[ . 1]"
4 27 HIS 0.169 0.036 8 0 "[ . 1]"
4 28 LEU 0.326 0.074 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 6 GLN O 1 10 ILE N 2.950 2.850 3.050 2.923 2.823 3.025 0.027 7 0 "[ . 1]" 2
2 1 7 ILE O 1 11 CYS N 2.950 2.850 3.050 3.023 2.809 3.158 0.108 3 0 "[ . 1]" 2
3 1 8 LEU O 1 12 SER N 2.950 2.850 3.050 3.028 2.901 3.158 0.108 9 0 "[ . 1]" 2
4 1 9 SER O 1 13 PHE N 2.950 2.850 3.050 2.921 2.793 3.029 0.057 9 0 "[ . 1]" 2
5 1 10 ILE O 1 14 ILE N 2.950 2.850 3.050 3.050 2.970 3.111 0.061 5 0 "[ . 1]" 2
6 1 11 CYS O 1 15 LEU N 2.950 2.850 3.050 3.025 2.891 3.174 0.124 2 0 "[ . 1]" 2
7 1 12 SER O 1 16 SER N 2.950 2.850 3.050 2.817 2.731 2.940 0.119 5 0 "[ . 1]" 2
8 1 13 PHE O 1 17 ALA N 2.950 2.850 3.050 3.033 2.920 3.093 0.043 7 0 "[ . 1]" 2
9 1 14 ILE O 1 18 LEU N 2.950 2.850 3.050 3.045 3.014 3.093 0.043 7 0 "[ . 1]" 2
10 1 15 LEU O 1 19 HIS N 2.950 2.850 3.050 2.838 2.708 2.961 0.142 9 0 "[ . 1]" 2
11 1 16 SER O 1 20 PHE N 2.950 2.850 3.050 3.127 3.063 3.181 0.131 10 0 "[ . 1]" 2
12 1 17 ALA O 1 21 MET N 2.950 2.850 3.050 3.029 2.890 3.082 0.032 4 0 "[ . 1]" 2
13 1 18 LEU O 1 22 ALA N 2.950 2.850 3.050 3.090 2.848 3.144 0.094 8 0 "[ . 1]" 2
14 1 19 HIS O 1 23 TRP N 2.950 2.850 3.050 3.082 2.830 3.187 0.137 9 0 "[ . 1]" 2
15 1 20 PHE O 1 24 THR N 2.950 2.850 3.050 2.819 2.788 2.859 0.062 7 0 "[ . 1]" 2
16 1 21 MET O 1 25 ILE N 2.950 2.850 3.050 3.187 3.148 3.207 0.157 1 0 "[ . 1]" 2
17 1 22 ALA O 1 26 GLY N 2.950 2.850 3.050 2.815 2.799 2.842 0.051 4 0 "[ . 1]" 2
18 1 23 TRP O 1 27 HIS N 2.950 2.850 3.050 2.891 2.832 3.051 0.018 8 0 "[ . 1]" 2
19 1 24 THR O 1 28 LEU N 2.950 2.850 3.050 3.007 2.891 3.065 0.015 5 0 "[ . 1]" 2
20 1 6 GLN O 1 10 ILE H 2.000 . 2.100 1.975 1.876 2.144 0.044 9 0 "[ . 1]" 2
21 1 7 ILE O 1 11 CYS H 2.000 . 2.100 2.133 1.953 2.273 0.173 5 0 "[ . 1]" 2
22 1 8 LEU O 1 12 SER H 2.000 . 2.100 2.069 1.946 2.203 0.103 9 0 "[ . 1]" 2
23 1 9 SER O 1 13 PHE H 2.000 . 2.100 2.017 1.913 2.154 0.054 2 0 "[ . 1]" 2
24 1 10 ILE O 1 14 ILE H 2.000 . 2.100 2.114 2.013 2.179 0.079 5 0 "[ . 1]" 2
25 1 11 CYS O 1 15 LEU H 2.000 . 2.100 2.085 1.958 2.212 0.112 2 0 "[ . 1]" 2
26 1 12 SER O 1 16 SER H 2.000 . 2.100 1.953 1.850 2.054 0.050 8 0 "[ . 1]" 2
27 1 13 PHE O 1 17 ALA H 2.000 . 2.100 2.118 1.966 2.238 0.138 7 0 "[ . 1]" 2
28 1 14 ILE O 1 18 LEU H 2.000 . 2.100 2.122 2.090 2.169 0.069 7 0 "[ . 1]" 2
29 1 15 LEU O 1 19 HIS H 2.000 . 2.100 2.024 1.936 2.190 0.090 6 0 "[ . 1]" 2
30 1 16 SER O 1 20 PHE H 2.000 . 2.100 2.168 2.109 2.210 0.110 3 0 "[ . 1]" 2
31 1 17 ALA O 1 21 MET H 2.000 . 2.100 2.204 2.026 2.283 0.183 10 0 "[ . 1]" 2
32 1 18 LEU O 1 22 ALA H 2.000 . 2.100 2.120 1.890 2.165 0.065 8 0 "[ . 1]" 2
33 1 19 HIS O 1 23 TRP H 2.000 . 2.100 2.151 1.872 2.261 0.161 9 0 "[ . 1]" 2
34 1 20 PHE O 1 24 THR H 2.000 . 2.100 1.874 1.841 1.923 0.059 6 0 "[ . 1]" 2
35 1 21 MET O 1 25 ILE H 2.000 . 2.100 2.228 2.167 2.259 0.159 3 0 "[ . 1]" 2
36 1 22 ALA O 1 26 GLY H 2.000 . 2.100 1.926 1.891 2.021 0.009 4 0 "[ . 1]" 2
37 1 23 TRP O 1 27 HIS H 2.000 . 2.100 1.929 1.866 2.090 0.034 8 0 "[ . 1]" 2
38 1 24 THR O 1 28 LEU H 2.000 . 2.100 2.111 1.973 2.175 0.075 5 0 "[ . 1]" 2
39 2 6 GLN O 2 10 ILE N 2.950 2.850 3.050 2.924 2.823 3.027 0.027 7 0 "[ . 1]" 2
40 2 7 ILE O 2 11 CYS N 2.950 2.850 3.050 3.022 2.802 3.161 0.111 3 0 "[ . 1]" 2
41 2 8 LEU O 2 12 SER N 2.950 2.850 3.050 3.026 2.896 3.150 0.100 9 0 "[ . 1]" 2
42 2 9 SER O 2 13 PHE N 2.950 2.850 3.050 2.921 2.791 3.028 0.059 9 0 "[ . 1]" 2
43 2 10 ILE O 2 14 ILE N 2.950 2.850 3.050 3.051 2.970 3.116 0.066 5 0 "[ . 1]" 2
44 2 11 CYS O 2 15 LEU N 2.950 2.850 3.050 3.024 2.892 3.178 0.128 2 0 "[ . 1]" 2
45 2 12 SER O 2 16 SER N 2.950 2.850 3.050 2.816 2.730 2.940 0.120 5 0 "[ . 1]" 2
46 2 13 PHE O 2 17 ALA N 2.950 2.850 3.050 3.033 2.922 3.097 0.047 7 0 "[ . 1]" 2
47 2 14 ILE O 2 18 LEU N 2.950 2.850 3.050 3.043 3.011 3.090 0.040 7 0 "[ . 1]" 2
48 2 15 LEU O 2 19 HIS N 2.950 2.850 3.050 2.836 2.708 2.953 0.142 9 0 "[ . 1]" 2
49 2 16 SER O 2 20 PHE N 2.950 2.850 3.050 3.127 3.067 3.178 0.128 10 0 "[ . 1]" 2
50 2 17 ALA O 2 21 MET N 2.950 2.850 3.050 3.029 2.890 3.086 0.036 4 0 "[ . 1]" 2
51 2 18 LEU O 2 22 ALA N 2.950 2.850 3.050 3.091 2.847 3.152 0.102 8 0 "[ . 1]" 2
52 2 19 HIS O 2 23 TRP N 2.950 2.850 3.050 3.081 2.831 3.188 0.138 9 0 "[ . 1]" 2
53 2 20 PHE O 2 24 THR N 2.950 2.850 3.050 2.820 2.792 2.860 0.058 7 0 "[ . 1]" 2
54 2 21 MET O 2 25 ILE N 2.950 2.850 3.050 3.189 3.148 3.212 0.162 8 0 "[ . 1]" 2
55 2 22 ALA O 2 26 GLY N 2.950 2.850 3.050 2.815 2.798 2.841 0.052 4 0 "[ . 1]" 2
56 2 23 TRP O 2 27 HIS N 2.950 2.850 3.050 2.890 2.832 3.050 0.018 8 0 "[ . 1]" 2
57 2 24 THR O 2 28 LEU N 2.950 2.850 3.050 3.006 2.889 3.064 0.014 5 0 "[ . 1]" 2
58 2 6 GLN O 2 10 ILE H 2.000 . 2.100 1.977 1.878 2.142 0.042 9 0 "[ . 1]" 2
59 2 7 ILE O 2 11 CYS H 2.000 . 2.100 2.134 1.951 2.279 0.179 5 0 "[ . 1]" 2
60 2 8 LEU O 2 12 SER H 2.000 . 2.100 2.068 1.942 2.193 0.093 9 0 "[ . 1]" 2
61 2 9 SER O 2 13 PHE H 2.000 . 2.100 2.016 1.905 2.149 0.049 2 0 "[ . 1]" 2
62 2 10 ILE O 2 14 ILE H 2.000 . 2.100 2.115 2.011 2.187 0.087 5 0 "[ . 1]" 2
63 2 11 CYS O 2 15 LEU H 2.000 . 2.100 2.084 1.957 2.216 0.116 2 0 "[ . 1]" 2
64 2 12 SER O 2 16 SER H 2.000 . 2.100 1.951 1.851 2.057 0.049 8 0 "[ . 1]" 2
65 2 13 PHE O 2 17 ALA H 2.000 . 2.100 2.118 1.965 2.247 0.147 7 0 "[ . 1]" 2
66 2 14 ILE O 2 18 LEU H 2.000 . 2.100 2.122 2.088 2.169 0.069 7 0 "[ . 1]" 2
67 2 15 LEU O 2 19 HIS H 2.000 . 2.100 2.022 1.927 2.187 0.087 6 0 "[ . 1]" 2
68 2 16 SER O 2 20 PHE H 2.000 . 2.100 2.167 2.112 2.208 0.108 3 0 "[ . 1]" 2
69 2 17 ALA O 2 21 MET H 2.000 . 2.100 2.205 2.027 2.280 0.180 10 0 "[ . 1]" 2
70 2 18 LEU O 2 22 ALA H 2.000 . 2.100 2.121 1.891 2.173 0.073 8 0 "[ . 1]" 2
71 2 19 HIS O 2 23 TRP H 2.000 . 2.100 2.150 1.872 2.260 0.160 9 0 "[ . 1]" 2
72 2 20 PHE O 2 24 THR H 2.000 . 2.100 1.873 1.846 1.915 0.054 6 0 "[ . 1]" 2
73 2 21 MET O 2 25 ILE H 2.000 . 2.100 2.230 2.169 2.261 0.161 3 0 "[ . 1]" 2
74 2 22 ALA O 2 26 GLY H 2.000 . 2.100 1.926 1.889 2.018 0.011 4 0 "[ . 1]" 2
75 2 23 TRP O 2 27 HIS H 2.000 . 2.100 1.928 1.867 2.092 0.033 8 0 "[ . 1]" 2
76 2 24 THR O 2 28 LEU H 2.000 . 2.100 2.110 1.970 2.171 0.071 5 0 "[ . 1]" 2
77 3 6 GLN O 3 10 ILE N 2.950 2.850 3.050 2.923 2.819 3.028 0.031 7 0 "[ . 1]" 2
78 3 7 ILE O 3 11 CYS N 2.950 2.850 3.050 3.023 2.807 3.155 0.105 3 0 "[ . 1]" 2
79 3 8 LEU O 3 12 SER N 2.950 2.850 3.050 3.027 2.894 3.152 0.102 9 0 "[ . 1]" 2
80 3 9 SER O 3 13 PHE N 2.950 2.850 3.050 2.920 2.791 3.024 0.059 9 0 "[ . 1]" 2
81 3 10 ILE O 3 14 ILE N 2.950 2.850 3.050 3.051 2.969 3.114 0.064 5 0 "[ . 1]" 2
82 3 11 CYS O 3 15 LEU N 2.950 2.850 3.050 3.025 2.893 3.176 0.126 2 0 "[ . 1]" 2
83 3 12 SER O 3 16 SER N 2.950 2.850 3.050 2.817 2.730 2.942 0.120 5 0 "[ . 1]" 2
84 3 13 PHE O 3 17 ALA N 2.950 2.850 3.050 3.033 2.920 3.098 0.048 7 0 "[ . 1]" 2
85 3 14 ILE O 3 18 LEU N 2.950 2.850 3.050 3.043 3.014 3.091 0.041 7 0 "[ . 1]" 2
86 3 15 LEU O 3 19 HIS N 2.950 2.850 3.050 2.837 2.707 2.963 0.143 9 0 "[ . 1]" 2
87 3 16 SER O 3 20 PHE N 2.950 2.850 3.050 3.127 3.068 3.185 0.135 10 0 "[ . 1]" 2
88 3 17 ALA O 3 21 MET N 2.950 2.850 3.050 3.028 2.888 3.083 0.033 4 0 "[ . 1]" 2
89 3 18 LEU O 3 22 ALA N 2.950 2.850 3.050 3.092 2.846 3.167 0.117 8 0 "[ . 1]" 2
90 3 19 HIS O 3 23 TRP N 2.950 2.850 3.050 3.083 2.832 3.191 0.141 9 0 "[ . 1]" 2
91 3 20 PHE O 3 24 THR N 2.950 2.850 3.050 2.819 2.788 2.860 0.062 7 0 "[ . 1]" 2
92 3 21 MET O 3 25 ILE N 2.950 2.850 3.050 3.187 3.149 3.208 0.158 8 0 "[ . 1]" 2
93 3 22 ALA O 3 26 GLY N 2.950 2.850 3.050 2.813 2.795 2.841 0.055 8 0 "[ . 1]" 2
94 3 23 TRP O 3 27 HIS N 2.950 2.850 3.050 2.890 2.825 3.048 0.025 8 0 "[ . 1]" 2
95 3 24 THR O 3 28 LEU N 2.950 2.850 3.050 3.006 2.888 3.065 0.015 5 0 "[ . 1]" 2
96 3 6 GLN O 3 10 ILE H 2.000 . 2.100 1.975 1.873 2.144 0.044 9 0 "[ . 1]" 2
97 3 7 ILE O 3 11 CYS H 2.000 . 2.100 2.134 1.951 2.278 0.178 5 0 "[ . 1]" 2
98 3 8 LEU O 3 12 SER H 2.000 . 2.100 2.068 1.941 2.196 0.096 9 0 "[ . 1]" 2
99 3 9 SER O 3 13 PHE H 2.000 . 2.100 2.014 1.907 2.142 0.042 2 0 "[ . 1]" 2
100 3 10 ILE O 3 14 ILE H 2.000 . 2.100 2.115 2.012 2.185 0.085 5 0 "[ . 1]" 2
101 3 11 CYS O 3 15 LEU H 2.000 . 2.100 2.085 1.958 2.213 0.113 2 0 "[ . 1]" 2
102 3 12 SER O 3 16 SER H 2.000 . 2.100 1.950 1.850 2.045 0.050 8 0 "[ . 1]" 2
103 3 13 PHE O 3 17 ALA H 2.000 . 2.100 2.117 1.963 2.244 0.144 7 0 "[ . 1]" 2
104 3 14 ILE O 3 18 LEU H 2.000 . 2.100 2.121 2.086 2.167 0.067 7 0 "[ . 1]" 2
105 3 15 LEU O 3 19 HIS H 2.000 . 2.100 2.022 1.926 2.191 0.091 6 0 "[ . 1]" 2
106 3 16 SER O 3 20 PHE H 2.000 . 2.100 2.167 2.114 2.216 0.116 3 0 "[ . 1]" 2
107 3 17 ALA O 3 21 MET H 2.000 . 2.100 2.203 2.024 2.286 0.186 10 0 "[ . 1]" 2
108 3 18 LEU O 3 22 ALA H 2.000 . 2.100 2.121 1.889 2.185 0.085 8 0 "[ . 1]" 2
109 3 19 HIS O 3 23 TRP H 2.000 . 2.100 2.153 1.876 2.262 0.162 9 0 "[ . 1]" 2
110 3 20 PHE O 3 24 THR H 2.000 . 2.100 1.873 1.839 1.924 0.061 6 0 "[ . 1]" 2
111 3 21 MET O 3 25 ILE H 2.000 . 2.100 2.228 2.168 2.261 0.161 3 0 "[ . 1]" 2
112 3 22 ALA O 3 26 GLY H 2.000 . 2.100 1.924 1.889 2.017 0.011 10 0 "[ . 1]" 2
113 3 23 TRP O 3 27 HIS H 2.000 . 2.100 1.929 1.861 2.089 0.039 8 0 "[ . 1]" 2
114 3 24 THR O 3 28 LEU H 2.000 . 2.100 2.109 1.968 2.172 0.072 5 0 "[ . 1]" 2
115 4 6 GLN O 4 10 ILE N 2.950 2.850 3.050 2.925 2.821 3.030 0.029 7 0 "[ . 1]" 2
116 4 7 ILE O 4 11 CYS N 2.950 2.850 3.050 3.024 2.804 3.158 0.108 3 0 "[ . 1]" 2
117 4 8 LEU O 4 12 SER N 2.950 2.850 3.050 3.028 2.898 3.152 0.102 9 0 "[ . 1]" 2
118 4 9 SER O 4 13 PHE N 2.950 2.850 3.050 2.921 2.792 3.027 0.058 9 0 "[ . 1]" 2
119 4 10 ILE O 4 14 ILE N 2.950 2.850 3.050 3.052 2.968 3.120 0.070 5 0 "[ . 1]" 2
120 4 11 CYS O 4 15 LEU N 2.950 2.850 3.050 3.023 2.886 3.176 0.126 2 0 "[ . 1]" 2
121 4 12 SER O 4 16 SER N 2.950 2.850 3.050 2.816 2.730 2.937 0.120 5 0 "[ . 1]" 2
122 4 13 PHE O 4 17 ALA N 2.950 2.850 3.050 3.034 2.923 3.095 0.045 7 0 "[ . 1]" 2
123 4 14 ILE O 4 18 LEU N 2.950 2.850 3.050 3.046 3.015 3.102 0.052 7 0 "[ . 1]" 2
124 4 15 LEU O 4 19 HIS N 2.950 2.850 3.050 2.836 2.703 2.946 0.147 9 0 "[ . 1]" 2
125 4 16 SER O 4 20 PHE N 2.950 2.850 3.050 3.127 3.067 3.179 0.129 10 0 "[ . 1]" 2
126 4 17 ALA O 4 21 MET N 2.950 2.850 3.050 3.029 2.891 3.084 0.034 4 0 "[ . 1]" 2
127 4 18 LEU O 4 22 ALA N 2.950 2.850 3.050 3.091 2.845 3.151 0.101 8 0 "[ . 1]" 2
128 4 19 HIS O 4 23 TRP N 2.950 2.850 3.050 3.084 2.838 3.188 0.138 9 0 "[ . 1]" 2
129 4 20 PHE O 4 24 THR N 2.950 2.850 3.050 2.820 2.789 2.857 0.061 7 0 "[ . 1]" 2
130 4 21 MET O 4 25 ILE N 2.950 2.850 3.050 3.187 3.149 3.208 0.158 8 0 "[ . 1]" 2
131 4 22 ALA O 4 26 GLY N 2.950 2.850 3.050 2.812 2.798 2.840 0.052 8 0 "[ . 1]" 2
132 4 23 TRP O 4 27 HIS N 2.950 2.850 3.050 2.889 2.829 3.051 0.021 8 0 "[ . 1]" 2
133 4 24 THR O 4 28 LEU N 2.950 2.850 3.050 3.007 2.890 3.065 0.015 5 0 "[ . 1]" 2
134 4 6 GLN O 4 10 ILE H 2.000 . 2.100 1.977 1.873 2.145 0.045 9 0 "[ . 1]" 2
135 4 7 ILE O 4 11 CYS H 2.000 . 2.100 2.135 1.955 2.281 0.181 5 0 "[ . 1]" 2
136 4 8 LEU O 4 12 SER H 2.000 . 2.100 2.070 1.944 2.194 0.094 9 0 "[ . 1]" 2
137 4 9 SER O 4 13 PHE H 2.000 . 2.100 2.017 1.907 2.150 0.050 2 0 "[ . 1]" 2
138 4 10 ILE O 4 14 ILE H 2.000 . 2.100 2.115 2.010 2.191 0.091 5 0 "[ . 1]" 2
139 4 11 CYS O 4 15 LEU H 2.000 . 2.100 2.083 1.958 2.213 0.113 2 0 "[ . 1]" 2
140 4 12 SER O 4 16 SER H 2.000 . 2.100 1.949 1.851 2.050 0.049 8 0 "[ . 1]" 2
141 4 13 PHE O 4 17 ALA H 2.000 . 2.100 2.117 1.967 2.241 0.141 7 0 "[ . 1]" 2
142 4 14 ILE O 4 18 LEU H 2.000 . 2.100 2.124 2.089 2.177 0.077 7 0 "[ . 1]" 2
143 4 15 LEU O 4 19 HIS H 2.000 . 2.100 2.024 1.943 2.185 0.085 6 0 "[ . 1]" 2
144 4 16 SER O 4 20 PHE H 2.000 . 2.100 2.166 2.112 2.211 0.111 3 0 "[ . 1]" 2
145 4 17 ALA O 4 21 MET H 2.000 . 2.100 2.206 2.033 2.275 0.175 10 0 "[ . 1]" 2
146 4 18 LEU O 4 22 ALA H 2.000 . 2.100 2.121 1.889 2.169 0.069 8 0 "[ . 1]" 2
147 4 19 HIS O 4 23 TRP H 2.000 . 2.100 2.154 1.884 2.258 0.158 9 0 "[ . 1]" 2
148 4 20 PHE O 4 24 THR H 2.000 . 2.100 1.874 1.843 1.915 0.057 6 0 "[ . 1]" 2
149 4 21 MET O 4 25 ILE H 2.000 . 2.100 2.229 2.169 2.257 0.157 3 0 "[ . 1]" 2
150 4 22 ALA O 4 26 GLY H 2.000 . 2.100 1.924 1.892 2.014 0.008 4 0 "[ . 1]" 2
151 4 23 TRP O 4 27 HIS H 2.000 . 2.100 1.928 1.864 2.091 0.036 8 0 "[ . 1]" 2
152 4 24 THR O 4 28 LEU H 2.000 . 2.100 2.110 1.975 2.174 0.074 5 0 "[ . 1]" 2
stop_
save_
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