NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649335 |
6pv1   |
30642 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6pv1
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 405
_Distance_constraint_stats_list.Viol_count 214
_Distance_constraint_stats_list.Viol_total 635.114
_Distance_constraint_stats_list.Viol_max 0.986
_Distance_constraint_stats_list.Viol_rms 0.0845
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0157
_Distance_constraint_stats_list.Viol_average_violations_only 0.2968
_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 ARG 0.242 0.242 1 0 "[ . 1]"
1 2 PRO 3.090 0.411 2 0 "[ . 1]"
1 3 PHE 1.942 0.593 10 1 "[ . +]"
1 4 NLE 1.101 0.908 7 1 "[ . + 1]"
1 5 CYS 4.864 0.379 2 0 "[ . 1]"
1 6 THR 0.000 0.000 . 0 "[ . 1]"
1 7 TRP 9.649 0.895 7 4 "[ - . +**1]"
1 8 ABA 0.895 0.895 7 1 "[ . + 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 CYS 0.000 0.000 . 0 "[ . 1]"
1 11 GLY 1.101 0.908 7 1 "[ . + 1]"
1 12 LYS 12.686 0.894 7 5 "[* *.*+ -]"
1 13 ARG 5.293 0.889 4 3 "[ +. - *]"
1 14 PHE 13.473 0.894 7 5 "[** *. + *]"
1 15 THR 5.281 0.519 4 4 "[** +. - 1]"
1 16 ARG 1.837 0.557 6 1 "[ .+ 1]"
1 17 SER 1.773 0.593 10 1 "[ . +]"
1 18 ASP 0.143 0.099 6 0 "[ . 1]"
1 19 GLU 4.452 0.602 6 1 "[ .+ 1]"
1 20 LEU 0.095 0.060 7 0 "[ . 1]"
1 21 GLN 1.485 0.400 5 0 "[ . 1]"
1 22 ARG 3.924 0.602 6 3 "[ *.+ -1]"
1 23 HIS 10.930 0.891 4 6 "[* +-* **]"
1 24 LYS 6.401 0.986 4 5 "[ **+-* 1]"
1 25 ARG 2.166 0.425 8 0 "[ . 1]"
1 26 THR 4.004 0.699 1 4 "[+ -* *1]"
1 27 HIS 8.730 0.986 4 7 "[ *-+.****1]"
1 28 THR 0.659 0.268 5 0 "[ . 1]"
1 29 GLY 0.535 0.268 5 0 "[ . 1]"
1 30 GLU 0.059 0.059 10 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 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 19 GLU HB3 1 19 GLU QG 1.781 . 2.178 2.010 1.921 2.087 . 0 0 "[ . 1]" 1
2 1 19 GLU HA 1 19 GLU QG 2.093 . 2.641 2.245 2.122 2.281 . 0 0 "[ . 1]" 1
3 1 24 LYS QD 1 24 LYS HE3 2.109 . 2.665 1.990 1.908 2.075 . 0 0 "[ . 1]" 1
4 1 4 NLE HB2 1 4 NLE HG3 2.207 . 2.816 2.006 1.992 2.013 . 0 0 "[ . 1]" 1
5 1 9 GLY H 1 9 GLY HA2 2.232 . 2.855 2.252 2.187 2.291 . 0 0 "[ . 1]" 1
6 1 22 ARG H 1 22 ARG HB3 2.297 . 2.956 2.404 2.331 2.531 . 0 0 "[ . 1]" 1
7 1 10 CYS H 1 10 CYS QB 2.331 . 3.010 2.378 2.251 2.508 . 0 0 "[ . 1]" 1
8 1 9 GLY H 1 9 GLY HA3 2.367 . 3.067 2.750 2.721 2.778 . 0 0 "[ . 1]" 1
9 1 22 ARG H 1 22 ARG HB2 2.402 . 3.123 2.477 2.410 2.575 . 0 0 "[ . 1]" 1
10 1 27 HIS HA 1 28 THR H 2.475 . 3.241 2.755 2.722 2.796 . 0 0 "[ . 1]" 1
11 1 29 GLY H 1 29 GLY HA3 2.547 . 3.358 2.384 2.154 2.793 . 0 0 "[ . 1]" 1
12 1 29 GLY H 1 29 GLY HA2 2.550 . 3.363 2.374 2.104 2.731 . 0 0 "[ . 1]" 1
13 1 11 GLY HA3 1 12 LYS H 2.588 . 3.425 2.757 2.703 2.781 . 0 0 "[ . 1]" 1
14 1 30 GLU HA 1 31 LYS H 2.665 . 3.553 2.558 2.067 2.806 . 0 0 "[ . 1]" 1
15 1 22 ARG H 1 22 ARG HA 2.665 . 3.553 2.667 2.394 2.715 . 0 0 "[ . 1]" 1
16 1 12 LYS QB 1 13 ARG H 2.686 . 3.588 2.767 2.451 3.403 . 0 0 "[ . 1]" 1
17 1 18 ASP HA 1 22 ARG H 2.749 . 3.693 2.723 2.709 2.742 . 0 0 "[ . 1]" 1
18 1 19 GLU HA 1 22 ARG H 2.775 . 3.738 3.035 2.983 3.090 . 0 0 "[ . 1]" 1
19 1 28 THR HA 1 29 GLY H 2.815 . 3.805 2.603 2.093 2.773 . 0 0 "[ . 1]" 1
20 1 19 GLU H 1 19 GLU QG 2.815 . 3.805 3.583 2.587 3.872 0.067 7 0 "[ . 1]" 1
21 1 12 LYS QE 1 14 PHE HZ 2.826 . 3.824 3.122 2.564 3.506 . 0 0 "[ . 1]" 1
22 1 24 LYS H 1 24 LYS QD 2.854 . 3.872 3.671 3.491 4.015 0.143 5 0 "[ . 1]" 1
23 1 14 PHE HZ 1 23 HIS HD2 2.903 . 3.956 3.186 3.045 3.290 . 0 0 "[ . 1]" 1
24 1 7 TRP HZ2 1 27 HIS HB3 2.913 . 3.973 3.059 2.936 3.223 . 0 0 "[ . 1]" 1
25 1 3 PHE HB3 1 20 LEU MD1 2.918 . 3.983 2.344 1.919 3.064 . 0 0 "[ . 1]" 1
26 1 12 LYS QE 1 14 PHE QE 2.921 . 3.987 3.013 2.344 3.386 . 0 0 "[ . 1]" 1
27 1 17 SER HA 1 20 LEU MD2 2.931 . 4.005 2.791 2.346 3.385 . 0 0 "[ . 1]" 1
28 1 19 GLU HA 1 22 ARG HB3 2.934 . 4.010 2.489 2.211 2.999 . 0 0 "[ . 1]" 1
29 1 4 NLE HG2 1 11 GLY HA2 2.973 . 4.078 3.166 2.938 3.555 . 0 0 "[ . 1]" 1
30 1 3 PHE QD 1 20 LEU HB3 2.990 . 4.107 3.827 3.666 4.012 . 0 0 "[ . 1]" 1
31 1 19 GLU QG 1 20 LEU H 3.000 . 4.125 3.671 3.469 3.987 . 0 0 "[ . 1]" 1
32 1 14 PHE HB2 1 19 GLU QG 3.116 . 4.329 3.946 3.656 4.428 0.099 6 0 "[ . 1]" 1
33 1 4 NLE HG2 1 5 CYS H 3.118 . 4.333 2.793 2.730 2.890 . 0 0 "[ . 1]" 1
34 1 3 PHE QD 1 4 NLE H 3.168 . 4.422 3.886 3.584 4.312 . 0 0 "[ . 1]" 1
35 1 20 LEU H 1 20 LEU QD 3.186 . 4.454 3.742 3.735 3.756 . 0 0 "[ . 1]" 1
36 1 7 TRP HB3 1 9 GLY H 3.295 . 4.652 3.685 3.525 3.847 . 0 0 "[ . 1]" 1
37 1 19 GLU HA 1 22 ARG H 3.343 . 4.740 3.153 3.086 3.228 . 0 0 "[ . 1]" 1
38 1 3 PHE QD 1 15 THR H 3.431 . 4.902 3.659 3.559 3.752 . 0 0 "[ . 1]" 1
39 1 7 TRP H 1 9 GLY H 3.492 . 5.016 4.140 3.202 4.575 . 0 0 "[ . 1]" 1
40 1 7 TRP HD1 1 9 GLY H 3.518 . 5.065 3.914 3.605 4.469 . 0 0 "[ . 1]" 1
41 1 6 THR HA 1 9 GLY H 3.616 . 5.250 4.639 3.635 5.148 . 0 0 "[ . 1]" 1
42 1 19 GLU HB2 1 19 GLU QG 1.975 . 2.462 2.318 2.154 2.399 . 0 0 "[ . 1]" 1
43 1 12 LYS HA 1 13 ARG H 2.071 . 2.607 2.192 2.139 2.235 . 0 0 "[ . 1]" 1
44 1 20 LEU MD1 1 20 LEU HG 2.077 . 2.616 2.123 2.121 2.124 . 0 0 "[ . 1]" 1
45 1 6 THR HB 1 6 THR MG 2.114 . 2.673 2.137 2.134 2.140 . 0 0 "[ . 1]" 1
46 1 13 ARG HA 1 14 PHE H 2.155 . 2.735 2.190 2.171 2.213 . 0 0 "[ . 1]" 1
47 1 26 THR HB 1 26 THR MG 2.168 . 2.756 2.133 2.130 2.135 . 0 0 "[ . 1]" 1
48 1 7 TRP HA 1 8 ABA H 2.175 . 2.766 2.244 2.164 2.335 . 0 0 "[ . 1]" 1
49 1 4 NLE HA 1 5 CYS H 2.182 . 2.777 2.122 2.096 2.150 . 0 0 "[ . 1]" 1
50 1 11 GLY H 1 11 GLY HA2 2.185 . 2.782 2.292 2.285 2.300 . 0 0 "[ . 1]" 1
51 1 24 LYS HA 1 24 LYS QB 2.204 . 2.811 2.417 2.399 2.433 . 0 0 "[ . 1]" 1
52 1 24 LYS HA 1 27 HIS HD2 2.207 . 2.816 2.192 2.002 2.381 . 0 0 "[ . 1]" 1
53 1 3 PHE HA 1 4 NLE H 2.215 . 2.828 2.203 2.141 2.268 . 0 0 "[ . 1]" 1
54 1 3 PHE HB2 1 3 PHE QD 2.223 . 2.841 2.335 2.307 2.393 . 0 0 "[ . 1]" 1
55 1 14 PHE HB2 1 14 PHE QD 2.227 . 2.847 2.349 2.324 2.403 . 0 0 "[ . 1]" 1
56 1 25 ARG H 1 25 ARG QB 2.239 . 2.866 2.452 2.349 2.502 . 0 0 "[ . 1]" 1
57 1 22 ARG HA 1 22 ARG HB3 2.266 . 2.908 3.021 3.018 3.024 0.116 5 0 "[ . 1]" 1
58 1 14 PHE HB3 1 14 PHE QD 2.270 . 2.914 2.402 2.345 2.432 . 0 0 "[ . 1]" 1
59 1 26 THR HA 1 26 THR MG 2.276 . 2.924 2.370 2.319 2.402 . 0 0 "[ . 1]" 1
60 1 10 CYS QB 1 11 GLY H 2.276 . 2.924 1.863 1.786 2.095 . 0 0 "[ . 1]" 1
61 1 6 THR HA 1 6 THR MG 2.278 . 2.927 2.264 2.245 2.278 . 0 0 "[ . 1]" 1
62 1 13 ARG QD 1 13 ARG QG 2.280 . 2.930 2.028 1.998 2.088 . 0 0 "[ . 1]" 1
63 1 7 TRP H 1 7 TRP HB2 2.296 . 2.955 2.504 2.418 2.620 . 0 0 "[ . 1]" 1
64 1 12 LYS HA 1 12 LYS QG 2.300 . 2.961 2.600 2.328 2.918 . 0 0 "[ . 1]" 1
65 1 5 CYS HB2 1 23 HIS HD2 2.307 . 2.972 2.853 2.619 2.980 0.008 7 0 "[ . 1]" 1
66 1 15 THR HB 1 15 THR MG 2.315 . 2.985 2.136 2.130 2.140 . 0 0 "[ . 1]" 1
67 1 16 ARG HD2 1 16 ARG QG 2.320 . 2.993 2.303 2.174 2.350 . 0 0 "[ . 1]" 1
68 1 20 LEU HA 1 20 LEU MD1 2.325 . 3.001 2.183 2.171 2.221 . 0 0 "[ . 1]" 1
69 1 1 ARG QB 1 1 ARG QD 2.329 . 3.007 2.279 2.099 2.775 . 0 0 "[ . 1]" 1
70 1 20 LEU HA 1 20 LEU HB2 2.330 . 3.009 2.399 2.387 2.419 . 0 0 "[ . 1]" 1
71 1 3 PHE HB3 1 3 PHE QD 2.334 . 3.015 2.440 2.367 2.489 . 0 0 "[ . 1]" 1
72 1 10 CYS HA 1 10 CYS QB 2.344 . 3.031 2.391 2.369 2.414 . 0 0 "[ . 1]" 1
73 1 25 ARG QD 1 25 ARG HG2 2.344 . 3.031 2.361 2.306 2.401 . 0 0 "[ . 1]" 1
74 1 20 LEU H 1 20 LEU HB3 2.347 . 3.035 2.405 2.369 2.452 . 0 0 "[ . 1]" 1
75 1 23 HIS H 1 23 HIS HB3 2.350 . 3.040 2.337 2.296 2.390 . 0 0 "[ . 1]" 1
76 1 28 THR HB 1 28 THR MG 2.360 . 3.056 2.135 2.129 2.138 . 0 0 "[ . 1]" 1
77 1 10 CYS H 1 10 CYS QB 2.363 . 3.061 2.417 2.275 2.564 . 0 0 "[ . 1]" 1
78 1 12 LYS H 1 12 LYS QB 2.365 . 3.064 2.280 2.152 2.402 . 0 0 "[ . 1]" 1
79 1 20 LEU HA 1 23 HIS HB3 2.365 . 3.064 2.398 2.324 2.537 . 0 0 "[ . 1]" 1
80 1 22 ARG HA 1 22 ARG HB2 2.367 . 3.067 2.437 2.399 2.480 . 0 0 "[ . 1]" 1
81 1 21 GLN H 1 21 GLN QB 2.377 . 3.083 2.351 2.232 2.500 . 0 0 "[ . 1]" 1
82 1 19 GLU HA 1 19 GLU HB3 2.385 . 3.096 2.934 2.592 3.025 . 0 0 "[ . 1]" 1
83 1 7 TRP H 1 7 TRP HB3 2.386 . 3.098 2.590 2.540 2.650 . 0 0 "[ . 1]" 1
84 1 24 LYS H 1 24 LYS QB 2.391 . 3.106 2.388 2.342 2.425 . 0 0 "[ . 1]" 1
85 1 18 ASP HA 1 18 ASP HB3 2.391 . 3.106 2.568 2.402 3.025 . 0 0 "[ . 1]" 1
86 1 19 GLU H 1 19 GLU HB3 2.392 . 3.107 2.833 2.533 3.565 0.458 6 0 "[ . 1]" 1
87 1 18 ASP HA 1 18 ASP HB2 2.395 . 3.112 2.562 2.412 3.025 . 0 0 "[ . 1]" 1
88 1 25 ARG HA 1 25 ARG QB 2.400 . 3.120 2.363 2.347 2.392 . 0 0 "[ . 1]" 1
89 1 7 TRP HA 1 7 TRP HB2 2.415 . 3.144 2.522 2.495 2.552 . 0 0 "[ . 1]" 1
90 1 16 ARG H 1 16 ARG QG 2.417 . 3.147 2.936 2.573 3.210 0.063 8 0 "[ . 1]" 1
91 1 2 PRO HA 1 3 PHE H 2.419 . 3.150 2.198 2.150 2.244 . 0 0 "[ . 1]" 1
92 1 5 CYS HA 1 5 CYS HB2 2.424 . 3.158 2.425 2.400 2.464 . 0 0 "[ . 1]" 1
93 1 14 PHE HA 1 14 PHE HB3 2.431 . 3.169 2.429 2.416 2.443 . 0 0 "[ . 1]" 1
94 1 13 ARG HA 1 13 ARG QG 2.433 . 3.173 2.412 2.332 2.468 . 0 0 "[ . 1]" 1
95 1 27 HIS HB2 1 27 HIS HD2 2.443 . 3.189 2.643 2.620 2.673 . 0 0 "[ . 1]" 1
96 1 26 THR H 1 26 THR MG 2.443 . 3.189 2.476 2.253 3.776 0.587 9 1 "[ . +1]" 1
97 1 27 HIS H 1 27 HIS HB2 2.446 . 3.194 2.491 2.417 2.533 . 0 0 "[ . 1]" 1
98 1 22 ARG HB2 1 22 ARG HD3 2.447 . 3.196 3.057 2.439 3.732 0.536 4 2 "[ +. -1]" 1
99 1 18 ASP HA 1 21 GLN QB 2.449 . 3.198 2.435 2.159 2.763 . 0 0 "[ . 1]" 1
100 1 25 ARG H 1 25 ARG HG2 2.453 . 3.205 3.359 3.118 3.630 0.425 8 0 "[ . 1]" 1
101 1 2 PRO HB3 1 2 PRO HG3 2.460 . 3.217 2.311 2.291 2.326 . 0 0 "[ . 1]" 1
102 1 25 ARG HA 1 25 ARG HG3 2.462 . 3.220 3.105 2.932 3.274 0.054 1 0 "[ . 1]" 1
103 1 20 LEU H 1 20 LEU HB2 2.463 . 3.221 2.616 2.571 2.648 . 0 0 "[ . 1]" 1
104 1 11 GLY H 1 11 GLY HA3 2.463 . 3.221 2.835 2.806 2.873 . 0 0 "[ . 1]" 1
105 1 16 ARG HA 1 16 ARG QG 2.465 . 3.224 2.654 2.407 2.975 . 0 0 "[ . 1]" 1
106 1 2 PRO HA 1 2 PRO HB3 2.465 . 3.224 2.301 2.265 2.321 . 0 0 "[ . 1]" 1
107 1 28 THR HA 1 28 THR MG 2.465 . 3.224 2.461 2.227 3.218 . 0 0 "[ . 1]" 1
108 1 5 CYS H 1 5 CYS HB3 2.466 . 3.226 2.410 2.352 2.504 . 0 0 "[ . 1]" 1
109 1 5 CYS HA 1 20 LEU MD1 2.468 . 3.229 2.458 2.284 2.665 . 0 0 "[ . 1]" 1
110 1 14 PHE H 1 14 PHE QD 2.472 . 3.236 2.944 2.795 3.039 . 0 0 "[ . 1]" 1
111 1 10 CYS QB 1 27 HIS HE1 2.475 . 3.241 2.730 2.496 2.913 . 0 0 "[ . 1]" 1
112 1 17 SER HA 1 17 SER HB3 2.482 . 3.252 2.374 2.356 2.394 . 0 0 "[ . 1]" 1
113 1 7 TRP HB2 1 7 TRP HE3 2.486 . 3.259 2.507 2.403 2.571 . 0 0 "[ . 1]" 1
114 1 17 SER HA 1 20 LEU HB3 2.498 . 3.278 2.670 2.519 3.094 . 0 0 "[ . 1]" 1
115 1 14 PHE QD 1 20 LEU MD1 2.508 . 3.294 2.223 2.103 2.353 . 0 0 "[ . 1]" 1
116 1 14 PHE HA 1 14 PHE QD 2.508 . 3.294 2.877 2.807 3.009 . 0 0 "[ . 1]" 1
117 1 26 THR H 1 27 HIS H 2.511 . 3.299 2.377 2.182 2.594 . 0 0 "[ . 1]" 1
118 1 4 NLE HA 1 4 NLE HB2 2.514 . 3.304 3.021 3.018 3.023 . 0 0 "[ . 1]" 1
119 1 3 PHE HB2 1 14 PHE HB2 2.518 . 3.310 2.311 2.126 2.446 . 0 0 "[ . 1]" 1
120 1 3 PHE HB3 1 20 LEU MD2 2.521 . 3.316 1.976 1.911 2.053 . 0 0 "[ . 1]" 1
121 1 5 CYS HB2 1 14 PHE QE 2.523 . 3.319 2.597 2.429 2.777 . 0 0 "[ . 1]" 1
122 1 3 PHE HA 1 3 PHE QD 2.523 . 3.319 2.755 2.605 2.963 . 0 0 "[ . 1]" 1
123 1 12 LYS HA 1 12 LYS QB 2.525 . 3.322 2.439 2.388 2.500 . 0 0 "[ . 1]" 1
124 1 23 HIS HB3 1 23 HIS HD2 2.530 . 3.330 2.757 2.724 2.779 . 0 0 "[ . 1]" 1
125 1 14 PHE QD 1 19 GLU QG 2.532 . 3.333 2.435 2.125 3.304 . 0 0 "[ . 1]" 1
126 1 2 PRO HA 1 2 PRO HB2 2.534 . 3.336 2.751 2.671 2.913 . 0 0 "[ . 1]" 1
127 1 14 PHE HB3 1 19 GLU HB3 2.534 . 3.336 2.554 2.211 3.215 . 0 0 "[ . 1]" 1
128 1 16 ARG HD3 1 16 ARG QG 2.534 . 3.336 2.239 2.154 2.360 . 0 0 "[ . 1]" 1
129 1 17 SER HA 1 17 SER HB2 2.536 . 3.340 2.651 2.534 3.020 . 0 0 "[ . 1]" 1
130 1 25 ARG H 1 26 THR H 2.537 . 3.342 2.668 2.546 2.717 . 0 0 "[ . 1]" 1
131 1 5 CYS HB2 1 20 LEU MD1 2.549 . 3.361 2.248 2.114 2.358 . 0 0 "[ . 1]" 1
132 1 20 LEU HB3 1 20 LEU MD2 2.549 . 3.361 2.290 2.273 2.320 . 0 0 "[ . 1]" 1
133 1 24 LYS HA 1 24 LYS QD 2.552 . 3.366 3.038 2.043 4.029 0.663 6 5 "[ ***-+ 1]" 1
134 1 19 GLU HA 1 22 ARG HB2 2.556 . 3.373 3.502 3.191 3.975 0.602 6 1 "[ .+ 1]" 1
135 1 23 HIS H 1 23 HIS HB2 2.556 . 3.373 2.704 2.620 2.739 . 0 0 "[ . 1]" 1
136 1 12 LYS HA 1 12 LYS QD 2.558 . 3.376 2.546 2.035 3.907 0.531 6 2 "[- .+ 1]" 1
137 1 20 LEU HB2 1 20 LEU MD1 2.560 . 3.379 2.357 2.324 2.396 . 0 0 "[ . 1]" 1
138 1 20 LEU HB3 1 20 LEU HG 2.562 . 3.382 2.483 2.456 2.505 . 0 0 "[ . 1]" 1
139 1 21 GLN HA 1 24 LYS QB 2.566 . 3.389 2.634 2.420 2.831 . 0 0 "[ . 1]" 1
140 1 1 ARG HA 1 2 PRO HD3 2.568 . 3.392 2.200 1.894 2.426 . 0 0 "[ . 1]" 1
141 1 7 TRP HA 1 7 TRP HB3 2.568 . 3.392 3.021 3.015 3.026 . 0 0 "[ . 1]" 1
142 1 15 THR HA 1 15 THR MG 2.570 . 3.396 2.389 2.221 3.211 . 0 0 "[ . 1]" 1
143 1 25 ARG QD 1 25 ARG HG3 2.572 . 3.399 2.277 2.167 2.386 . 0 0 "[ . 1]" 1
144 1 14 PHE QE 1 20 LEU MD1 2.572 . 3.399 2.539 2.409 2.656 . 0 0 "[ . 1]" 1
145 1 3 PHE HA 1 3 PHE HB3 2.572 . 3.399 2.487 2.458 2.514 . 0 0 "[ . 1]" 1
146 1 20 LEU MD1 1 23 HIS HD2 2.572 . 3.399 2.842 2.718 2.946 . 0 0 "[ . 1]" 1
147 1 13 ARG H 1 13 ARG QB 2.574 . 3.402 2.467 2.401 2.514 . 0 0 "[ . 1]" 1
148 1 5 CYS H 1 5 CYS HB2 2.578 . 3.409 2.714 2.611 2.773 . 0 0 "[ . 1]" 1
149 1 3 PHE HB3 1 20 LEU HB2 2.582 . 3.415 2.635 2.443 2.763 . 0 0 "[ . 1]" 1
150 1 12 LYS QB 1 23 HIS HE1 2.584 . 3.419 2.985 2.638 3.592 0.173 4 0 "[ . 1]" 1
151 1 23 HIS HA 1 23 HIS HB2 2.586 . 3.422 2.372 2.361 2.392 . 0 0 "[ . 1]" 1
152 1 16 ARG HA 1 16 ARG QB 2.591 . 3.430 2.380 2.333 2.430 . 0 0 "[ . 1]" 1
153 1 12 LYS QB 1 14 PHE QE 2.593 . 3.433 2.564 2.226 2.795 . 0 0 "[ . 1]" 1
154 1 10 CYS H 1 10 CYS HA 2.595 . 3.437 2.928 2.875 2.941 . 0 0 "[ . 1]" 1
155 1 25 ARG H 1 25 ARG HA 2.597 . 3.440 2.828 2.802 2.871 . 0 0 "[ . 1]" 1
156 1 2 PRO HD3 1 2 PRO HG3 2.597 . 3.440 2.296 2.278 2.315 . 0 0 "[ . 1]" 1
157 1 14 PHE HZ 1 23 HIS HB2 2.599 . 3.443 2.608 2.380 2.840 . 0 0 "[ . 1]" 1
158 1 14 PHE HB3 1 16 ARG H 2.601 . 3.447 2.449 2.253 2.550 . 0 0 "[ . 1]" 1
159 1 21 GLN HA 1 21 GLN QG 2.603 . 3.450 2.716 2.373 3.054 . 0 0 "[ . 1]" 1
160 1 20 LEU HA 1 20 LEU HB3 2.603 . 3.450 3.014 3.012 3.018 . 0 0 "[ . 1]" 1
161 1 21 GLN QB 1 22 ARG H 2.606 . 3.455 2.397 2.299 2.465 . 0 0 "[ . 1]" 1
162 1 14 PHE H 1 14 PHE HB2 2.606 . 3.455 2.784 2.740 2.846 . 0 0 "[ . 1]" 1
163 1 12 LYS QG 1 14 PHE QE 2.606 . 3.455 3.181 2.769 4.104 0.649 4 2 "[ +. - 1]" 1
164 1 21 GLN H 1 21 GLN HA 2.619 . 3.476 2.804 2.792 2.823 . 0 0 "[ . 1]" 1
165 1 20 LEU HB3 1 20 LEU MD1 2.619 . 3.476 3.200 3.197 3.202 . 0 0 "[ . 1]" 1
166 1 7 TRP HB3 1 7 TRP HD1 2.621 . 3.480 2.716 2.661 2.898 . 0 0 "[ . 1]" 1
167 1 19 GLU H 1 19 GLU HB2 2.621 . 3.480 2.391 2.277 2.524 . 0 0 "[ . 1]" 1
168 1 19 GLU H 1 19 GLU HA 2.624 . 3.484 2.830 2.809 2.849 . 0 0 "[ . 1]" 1
169 1 23 HIS H 1 24 LYS H 2.624 . 3.484 2.755 2.688 2.838 . 0 0 "[ . 1]" 1
170 1 22 ARG HA 1 22 ARG QG 2.628 . 3.492 2.525 2.438 2.582 . 0 0 "[ . 1]" 1
171 1 23 HIS HA 1 26 THR MG 2.628 . 3.492 2.957 2.624 4.169 0.677 9 1 "[ . +1]" 1
172 1 7 TRP H 1 7 TRP HA 2.631 . 3.496 2.853 2.822 2.903 . 0 0 "[ . 1]" 1
173 1 23 HIS HB3 1 24 LYS H 2.638 . 3.508 2.642 2.584 2.693 . 0 0 "[ . 1]" 1
174 1 20 LEU H 1 21 GLN H 2.640 . 3.511 2.752 2.711 2.795 . 0 0 "[ . 1]" 1
175 1 26 THR H 1 26 THR HA 2.640 . 3.511 2.887 2.853 2.918 . 0 0 "[ . 1]" 1
176 1 27 HIS H 1 28 THR H 2.643 . 3.516 2.349 2.171 2.541 . 0 0 "[ . 1]" 1
177 1 27 HIS H 1 27 HIS HA 2.645 . 3.520 2.897 2.835 2.934 . 0 0 "[ . 1]" 1
178 1 5 CYS HA 1 5 CYS HB3 2.650 . 3.528 3.017 3.013 3.020 . 0 0 "[ . 1]" 1
179 1 24 LYS H 1 25 ARG H 2.653 . 3.532 2.717 2.649 2.762 . 0 0 "[ . 1]" 1
180 1 14 PHE QD 1 20 LEU HB2 2.653 . 3.532 2.737 2.481 2.897 . 0 0 "[ . 1]" 1
181 1 24 LYS H 1 24 LYS HA 2.653 . 3.532 2.785 2.772 2.805 . 0 0 "[ . 1]" 1
182 1 22 ARG H 1 22 ARG HA 2.655 . 3.536 2.775 2.751 2.794 . 0 0 "[ . 1]" 1
183 1 27 HIS HA 1 27 HIS HB3 2.660 . 3.545 2.489 2.461 2.523 . 0 0 "[ . 1]" 1
184 1 3 PHE QD 1 20 LEU MD2 2.665 . 3.553 2.637 2.287 3.099 . 0 0 "[ . 1]" 1
185 1 13 ARG H 1 13 ARG QG 2.665 . 3.553 2.972 2.483 4.084 0.531 8 1 "[ . + 1]" 1
186 1 20 LEU MD1 1 24 LYS QG 2.668 . 3.558 2.615 2.392 2.738 . 0 0 "[ . 1]" 1
187 1 19 GLU HA 1 19 GLU HB2 2.668 . 3.558 2.636 2.483 3.003 . 0 0 "[ . 1]" 1
188 1 13 ARG QG 1 14 PHE H 2.670 . 3.561 3.656 2.443 4.094 0.533 10 1 "[ . +]" 1
189 1 20 LEU HB3 1 21 GLN H 2.676 . 3.571 2.557 2.478 2.626 . 0 0 "[ . 1]" 1
190 1 16 ARG HA 1 17 SER H 2.681 . 3.580 2.168 2.128 2.223 . 0 0 "[ . 1]" 1
191 1 20 LEU H 1 20 LEU HA 2.681 . 3.580 2.802 2.795 2.815 . 0 0 "[ . 1]" 1
192 1 4 NLE HA 1 4 NLE HB3 2.681 . 3.580 2.453 2.425 2.482 . 0 0 "[ . 1]" 1
193 1 12 LYS QG 1 13 ARG H 2.689 . 3.593 3.105 2.572 4.482 0.889 4 1 "[ +. 1]" 1
194 1 3 PHE H 1 3 PHE HB2 2.692 . 3.598 2.523 2.441 2.648 . 0 0 "[ . 1]" 1
195 1 14 PHE HA 1 14 PHE HB2 2.695 . 3.603 3.028 3.024 3.031 . 0 0 "[ . 1]" 1
196 1 23 HIS HA 1 23 HIS HB3 2.698 . 3.608 3.013 3.009 3.018 . 0 0 "[ . 1]" 1
197 1 7 TRP HB3 1 10 CYS QB 2.700 . 3.612 2.026 1.925 2.161 . 0 0 "[ . 1]" 1
198 1 2 PRO HB2 1 2 PRO HD2 2.706 . 3.621 3.713 3.030 4.032 0.411 2 0 "[ . 1]" 1
199 1 2 PRO HD2 1 2 PRO HG2 2.706 . 3.621 2.299 2.280 2.323 . 0 0 "[ . 1]" 1
200 1 14 PHE QE 1 23 HIS HD2 2.709 . 3.626 3.359 3.270 3.605 . 0 0 "[ . 1]" 1
201 1 31 LYS HA 1 31 LYS HB2 2.715 . 3.636 2.656 2.465 3.024 . 0 0 "[ . 1]" 1
202 1 21 GLN H 1 21 GLN QG 2.715 . 3.636 2.831 2.253 4.036 0.400 5 0 "[ . 1]" 1
203 1 14 PHE HA 1 15 THR H 2.715 . 3.636 2.364 2.308 2.491 . 0 0 "[ . 1]" 1
204 1 21 GLN H 1 22 ARG H 2.715 . 3.636 2.767 2.698 2.825 . 0 0 "[ . 1]" 1
205 1 12 LYS QG 1 14 PHE HZ 2.718 . 3.641 2.539 2.055 3.421 . 0 0 "[ . 1]" 1
206 1 3 PHE HB2 1 20 LEU HB2 2.718 . 3.641 3.189 3.004 3.447 . 0 0 "[ . 1]" 1
207 1 14 PHE QD 1 19 GLU HB3 2.721 . 3.646 3.163 2.120 3.781 0.135 5 0 "[ . 1]" 1
208 1 4 NLE H 1 4 NLE HB2 2.721 . 3.646 2.703 2.446 2.890 . 0 0 "[ . 1]" 1
209 1 13 ARG HA 1 14 PHE QD 2.721 . 3.646 3.462 3.203 3.619 . 0 0 "[ . 1]" 1
210 1 25 ARG H 1 25 ARG HG3 2.721 . 3.646 2.215 2.047 2.420 . 0 0 "[ . 1]" 1
211 1 10 CYS H 1 11 GLY H 2.724 . 3.651 2.820 2.675 2.924 . 0 0 "[ . 1]" 1
212 1 12 LYS QB 1 14 PHE HZ 2.727 . 3.656 2.897 2.467 3.264 . 0 0 "[ . 1]" 1
213 1 4 NLE H 1 4 NLE HB3 2.742 . 3.682 3.147 2.823 3.318 . 0 0 "[ . 1]" 1
214 1 20 LEU HA 1 23 HIS HB2 2.752 . 3.699 3.548 3.413 3.759 0.060 7 0 "[ . 1]" 1
215 1 23 HIS HD2 1 24 LYS HA 2.755 . 3.704 2.941 2.761 3.125 . 0 0 "[ . 1]" 1
216 1 7 TRP HA 1 7 TRP HE3 2.762 . 3.715 3.372 3.132 3.970 0.255 7 0 "[ . 1]" 1
217 1 3 PHE H 1 3 PHE QD 2.768 . 3.726 2.796 2.509 3.169 . 0 0 "[ . 1]" 1
218 1 16 ARG H 1 16 ARG HA 2.778 . 3.743 2.937 2.927 2.944 . 0 0 "[ . 1]" 1
219 1 3 PHE HA 1 3 PHE HB2 2.782 . 3.749 3.027 3.021 3.031 . 0 0 "[ . 1]" 1
220 1 24 LYS QB 1 25 ARG H 2.785 . 3.755 2.868 2.769 2.948 . 0 0 "[ . 1]" 1
221 1 5 CYS HB3 1 23 HIS HD2 2.785 . 3.755 3.998 3.810 4.134 0.379 2 0 "[ . 1]" 1
222 1 28 THR H 1 28 THR MG 2.785 . 3.755 2.602 2.431 2.894 . 0 0 "[ . 1]" 1
223 1 7 TRP HB3 1 7 TRP HE3 2.793 . 3.768 4.048 3.873 4.103 0.335 1 0 "[ . 1]" 1
224 1 14 PHE HB2 1 20 LEU HB2 2.796 . 3.773 2.737 2.600 2.900 . 0 0 "[ . 1]" 1
225 1 3 PHE QE 1 17 SER HA 2.796 . 3.773 3.719 3.384 4.366 0.593 10 1 "[ . +]" 1
226 1 7 TRP HD1 1 10 CYS QB 2.796 . 3.773 2.950 2.676 3.683 . 0 0 "[ . 1]" 1
227 1 20 LEU HA 1 20 LEU HG 2.803 . 3.785 3.224 3.142 3.299 . 0 0 "[ . 1]" 1
228 1 5 CYS HB3 1 12 LYS H 2.811 . 3.799 2.382 2.176 2.674 . 0 0 "[ . 1]" 1
229 1 1 ARG HA 1 2 PRO HD2 2.811 . 3.799 2.346 2.111 2.815 . 0 0 "[ . 1]" 1
230 1 4 NLE H 1 20 LEU MD2 2.815 . 3.805 3.255 2.939 3.646 . 0 0 "[ . 1]" 1
231 1 22 ARG HA 1 25 ARG QD 2.822 . 3.818 2.519 2.213 2.752 . 0 0 "[ . 1]" 1
232 1 11 GLY H 1 12 LYS H 2.826 . 3.824 2.652 2.567 2.714 . 0 0 "[ . 1]" 1
233 1 13 ARG H 1 13 ARG HA 2.830 . 3.831 2.939 2.929 2.945 . 0 0 "[ . 1]" 1
234 1 23 HIS H 1 23 HIS HA 2.830 . 3.831 2.792 2.771 2.816 . 0 0 "[ . 1]" 1
235 1 27 HIS HB3 1 27 HIS HD2 2.838 . 3.845 3.718 3.675 3.782 . 0 0 "[ . 1]" 1
236 1 12 LYS H 1 12 LYS QD 2.842 . 3.852 3.871 2.181 4.480 0.628 1 2 "[+ .- 1]" 1
237 1 1 ARG QB 1 2 PRO HD2 2.842 . 3.852 3.304 2.724 4.094 0.242 1 0 "[ . 1]" 1
238 1 19 GLU HB3 1 20 LEU H 2.850 . 3.865 2.624 2.362 3.278 . 0 0 "[ . 1]" 1
239 1 24 LYS H 1 24 LYS QG 2.850 . 3.865 2.385 2.286 2.452 . 0 0 "[ . 1]" 1
240 1 27 HIS HB2 1 28 THR H 2.854 . 3.872 2.543 2.310 2.725 . 0 0 "[ . 1]" 1
241 1 27 HIS H 1 27 HIS HB3 2.859 . 3.880 3.649 3.616 3.677 . 0 0 "[ . 1]" 1
242 1 4 NLE HE1 1 11 GLY HA2 2.859 . 3.880 2.957 2.601 3.855 . 0 0 "[ . 1]" 1
243 1 2 PRO HD2 1 2 PRO HG3 2.859 . 3.880 2.825 2.718 2.997 . 0 0 "[ . 1]" 1
244 1 12 LYS QD 1 14 PHE HZ 2.859 . 3.880 3.958 2.254 4.774 0.894 7 3 "[ *. + -]" 1
245 1 16 ARG H 1 19 GLU HB3 2.863 . 3.887 3.357 3.017 4.444 0.557 6 1 "[ .+ 1]" 1
246 1 2 PRO HD3 1 2 PRO HG2 2.863 . 3.887 2.879 2.680 2.982 . 0 0 "[ . 1]" 1
247 1 7 TRP HB2 1 27 HIS HD2 2.863 . 3.887 3.870 3.598 4.490 0.603 7 1 "[ . + 1]" 1
248 1 3 PHE HB2 1 20 LEU MD2 2.871 . 3.902 3.473 3.350 3.565 . 0 0 "[ . 1]" 1
249 1 14 PHE HB3 1 19 GLU QG 2.871 . 3.902 3.082 2.690 3.798 . 0 0 "[ . 1]" 1
250 1 30 GLU H 1 30 GLU HB2 2.880 . 3.917 2.676 2.420 3.976 0.059 10 0 "[ . 1]" 1
251 1 12 LYS QD 1 23 HIS HE1 2.880 . 3.917 3.382 2.306 4.808 0.891 4 1 "[ +. 1]" 1
252 1 14 PHE HB2 1 16 ARG H 2.889 . 3.932 3.232 3.023 3.382 . 0 0 "[ . 1]" 1
253 1 2 PRO HB3 1 3 PHE H 2.898 . 3.948 3.825 3.562 4.117 0.169 10 0 "[ . 1]" 1
254 1 3 PHE QD 1 16 ARG H 2.898 . 3.948 3.246 2.882 3.447 . 0 0 "[ . 1]" 1
255 1 5 CYS H 1 5 CYS HA 2.913 . 3.973 2.869 2.833 2.890 . 0 0 "[ . 1]" 1
256 1 14 PHE HB2 1 19 GLU HB3 2.913 . 3.973 3.645 3.326 4.447 0.474 6 0 "[ . 1]" 1
257 1 12 LYS H 1 12 LYS QG 2.922 . 3.989 3.845 2.536 4.102 0.113 8 0 "[ . 1]" 1
258 1 10 CYS HA 1 11 GLY H 2.924 . 3.993 3.570 3.557 3.585 . 0 0 "[ . 1]" 1
259 1 5 CYS HB3 1 14 PHE QE 2.933 . 4.008 3.316 3.130 3.563 . 0 0 "[ . 1]" 1
260 1 3 PHE QD 1 15 THR HA 2.935 . 4.012 2.741 2.475 2.970 . 0 0 "[ . 1]" 1
261 1 3 PHE HB2 1 14 PHE H 2.938 . 4.017 3.089 2.926 3.342 . 0 0 "[ . 1]" 1
262 1 24 LYS HA 1 24 LYS QG 2.940 . 4.020 2.583 2.338 2.851 . 0 0 "[ . 1]" 1
263 1 31 LYS H 1 31 LYS HB2 2.942 . 4.024 3.028 2.576 3.810 . 0 0 "[ . 1]" 1
264 1 26 THR HA 1 27 HIS H 2.947 . 4.032 3.476 3.377 3.554 . 0 0 "[ . 1]" 1
265 1 3 PHE H 1 3 PHE HA 2.947 . 4.033 2.930 2.892 2.947 . 0 0 "[ . 1]" 1
266 1 21 GLN HA 1 24 LYS H 2.951 . 4.039 3.354 3.271 3.401 . 0 0 "[ . 1]" 1
267 1 4 NLE HA 1 13 ARG QG 2.956 . 4.048 2.999 2.715 3.236 . 0 0 "[ . 1]" 1
268 1 6 THR HA 1 7 TRP H 2.957 . 4.050 2.882 2.695 3.082 . 0 0 "[ . 1]" 1
269 1 18 ASP HA 1 19 GLU H 2.969 . 4.071 3.477 3.454 3.513 . 0 0 "[ . 1]" 1
270 1 4 NLE HE1 1 11 GLY HA3 2.971 . 4.074 3.652 2.977 4.982 0.908 7 1 "[ . + 1]" 1
271 1 4 NLE HA 1 4 NLE HG3 2.973 . 4.078 3.115 3.074 3.163 . 0 0 "[ . 1]" 1
272 1 15 THR HB 1 16 ARG H 2.977 . 4.085 3.684 3.192 4.451 0.366 3 0 "[ . 1]" 1
273 1 14 PHE QE 1 20 LEU HA 2.977 . 4.085 3.275 3.165 3.404 . 0 0 "[ . 1]" 1
274 1 4 NLE HA 1 4 NLE HG2 2.978 . 4.087 2.617 2.523 2.681 . 0 0 "[ . 1]" 1
275 1 18 ASP HA 1 21 GLN H 2.978 . 4.087 3.289 3.155 3.493 . 0 0 "[ . 1]" 1
276 1 28 THR H 1 29 GLY H 2.979 . 4.088 2.939 1.879 4.356 0.268 5 0 "[ . 1]" 1
277 1 7 TRP H 1 10 CYS QB 2.982 . 4.094 2.817 2.513 3.208 . 0 0 "[ . 1]" 1
278 1 21 GLN HA 1 24 LYS QG 2.986 . 4.101 3.016 2.631 3.396 . 0 0 "[ . 1]" 1
279 1 3 PHE HB3 1 14 PHE HB2 2.987 . 4.102 3.340 3.154 3.502 . 0 0 "[ . 1]" 1
280 1 20 LEU HG 1 21 GLN HA 2.992 . 4.111 3.487 3.374 3.557 . 0 0 "[ . 1]" 1
281 1 14 PHE H 1 14 PHE HA 2.992 . 4.111 2.937 2.926 2.942 . 0 0 "[ . 1]" 1
282 1 14 PHE H 1 14 PHE HB3 2.992 . 4.111 3.846 3.825 3.887 . 0 0 "[ . 1]" 1
283 1 7 TRP HB2 1 7 TRP HD1 2.999 . 4.123 3.833 3.805 3.883 . 0 0 "[ . 1]" 1
284 1 3 PHE QD 1 16 ARG HA 3.000 . 4.125 3.589 3.355 3.881 . 0 0 "[ . 1]" 1
285 1 5 CYS HB3 1 20 LEU MD1 3.005 . 4.133 3.563 3.424 3.715 . 0 0 "[ . 1]" 1
286 1 20 LEU HA 1 23 HIS H 3.005 . 4.133 3.456 3.330 3.586 . 0 0 "[ . 1]" 1
287 1 7 TRP HB3 1 27 HIS HD2 3.008 . 4.139 4.582 4.397 4.851 0.712 9 4 "[ - . **+1]" 1
288 1 20 LEU MD1 1 23 HIS HB3 3.008 . 4.139 2.956 2.769 3.167 . 0 0 "[ . 1]" 1
289 1 30 GLU H 1 30 GLU HB3 3.012 . 4.146 3.393 2.409 3.796 . 0 0 "[ . 1]" 1
290 1 7 TRP HZ3 1 28 THR MG 3.015 . 4.151 3.197 2.459 3.690 . 0 0 "[ . 1]" 1
291 1 25 ARG HA 1 26 THR H 3.015 . 4.151 3.378 3.198 3.441 . 0 0 "[ . 1]" 1
292 1 19 GLU H 1 20 LEU H 3.018 . 4.156 2.609 2.531 2.707 . 0 0 "[ . 1]" 1
293 1 25 ARG HA 1 25 ARG QD 3.029 . 4.176 4.071 3.937 4.229 0.053 10 0 "[ . 1]" 1
294 1 5 CYS H 1 13 ARG HA 3.030 . 4.177 3.265 3.158 3.525 . 0 0 "[ . 1]" 1
295 1 5 CYS HB3 1 11 GLY H 3.034 . 4.184 3.659 3.383 3.948 . 0 0 "[ . 1]" 1
296 1 25 ARG HA 1 28 THR H 3.035 . 4.186 3.186 2.769 3.617 . 0 0 "[ . 1]" 1
297 1 19 GLU HB2 1 20 LEU H 3.049 . 4.211 3.459 2.563 3.793 . 0 0 "[ . 1]" 1
298 1 17 SER HA 1 20 LEU H 3.055 . 4.222 3.319 3.214 3.579 . 0 0 "[ . 1]" 1
299 1 4 NLE HG3 1 5 CYS H 3.055 . 4.222 3.101 2.939 3.293 . 0 0 "[ . 1]" 1
300 1 23 HIS HA 1 24 LYS H 3.059 . 4.229 3.553 3.544 3.564 . 0 0 "[ . 1]" 1
301 1 15 THR H 1 16 ARG H 3.062 . 4.234 2.132 1.906 2.345 . 0 0 "[ . 1]" 1
302 1 7 TRP HD1 1 27 HIS HE1 3.067 . 4.243 3.382 3.222 3.590 . 0 0 "[ . 1]" 1
303 1 3 PHE QE 1 17 SER HB3 3.068 . 4.244 2.945 2.550 4.295 0.051 10 0 "[ . 1]" 1
304 1 3 PHE HB2 1 14 PHE HB3 3.072 . 4.252 3.770 3.608 3.906 . 0 0 "[ . 1]" 1
305 1 3 PHE HA 1 20 LEU MD2 3.073 . 4.253 3.434 3.054 3.681 . 0 0 "[ . 1]" 1
306 1 20 LEU HB2 1 21 GLN H 3.074 . 4.255 3.911 3.863 3.948 . 0 0 "[ . 1]" 1
307 1 4 NLE HA 1 14 PHE H 3.074 . 4.256 3.273 3.004 3.470 . 0 0 "[ . 1]" 1
308 1 14 PHE HB3 1 15 THR HA 3.074 . 4.256 4.692 4.525 4.775 0.519 4 4 "[** +. - 1]" 1
309 1 15 THR HA 1 16 ARG H 3.075 . 4.257 3.292 3.141 3.420 . 0 0 "[ . 1]" 1
310 1 6 THR HA 1 11 GLY H 3.078 . 4.262 3.629 3.291 4.070 . 0 0 "[ . 1]" 1
311 1 28 THR H 1 28 THR HB 3.079 . 4.264 3.567 3.407 3.667 . 0 0 "[ . 1]" 1
312 1 18 ASP H 1 18 ASP HB3 3.079 . 4.264 2.784 2.433 3.620 . 0 0 "[ . 1]" 1
313 1 18 ASP HA 1 21 GLN QG 3.079 . 4.264 3.407 2.921 4.087 . 0 0 "[ . 1]" 1
314 1 16 ARG QB 1 19 GLU H 3.083 . 4.271 2.460 2.243 2.647 . 0 0 "[ . 1]" 1
315 1 4 NLE HG3 1 11 GLY HA2 3.090 . 4.284 3.068 2.885 3.314 . 0 0 "[ . 1]" 1
316 1 24 LYS HA 1 27 HIS H 3.092 . 4.287 3.362 3.248 3.474 . 0 0 "[ . 1]" 1
317 1 3 PHE HB3 1 4 NLE H 3.093 . 4.289 3.297 2.853 4.006 . 0 0 "[ . 1]" 1
318 1 3 PHE H 1 3 PHE HB3 3.098 . 4.297 3.687 3.619 3.779 . 0 0 "[ . 1]" 1
319 1 16 ARG H 1 19 GLU HB2 3.098 . 4.297 3.735 2.965 4.069 . 0 0 "[ . 1]" 1
320 1 16 ARG QB 1 16 ARG HD2 3.100 . 4.301 2.685 2.318 3.283 . 0 0 "[ . 1]" 1
321 1 19 GLU HA 1 20 LEU H 3.116 . 4.329 3.546 3.532 3.562 . 0 0 "[ . 1]" 1
322 1 16 ARG QB 1 16 ARG HD3 3.116 . 4.329 3.080 2.426 3.441 . 0 0 "[ . 1]" 1
323 1 3 PHE QE 1 17 SER HB2 3.127 . 4.350 4.013 3.731 4.900 0.550 10 1 "[ . +]" 1
324 1 23 HIS HB2 1 24 LYS H 3.132 . 4.358 3.987 3.950 4.021 . 0 0 "[ . 1]" 1
325 1 14 PHE HB3 1 15 THR H 3.137 . 4.367 2.613 2.416 2.779 . 0 0 "[ . 1]" 1
326 1 14 PHE HB2 1 20 LEU H 3.140 . 4.373 3.617 3.465 3.762 . 0 0 "[ . 1]" 1
327 1 15 THR HB 1 16 ARG QG 3.143 . 4.378 3.282 2.720 4.746 0.368 3 0 "[ . 1]" 1
328 1 1 ARG QB 1 2 PRO HD3 3.146 . 4.383 3.960 3.296 4.367 . 0 0 "[ . 1]" 1
329 1 17 SER H 1 17 SER HB2 3.154 . 4.398 3.373 2.653 3.558 . 0 0 "[ . 1]" 1
330 1 18 ASP HB2 1 19 GLU H 3.154 . 4.398 3.680 2.744 3.986 . 0 0 "[ . 1]" 1
331 1 25 ARG HA 1 27 HIS H 3.156 . 4.401 3.944 3.724 4.500 0.099 4 0 "[ . 1]" 1
332 1 23 HIS HB2 1 23 HIS HD2 3.158 . 4.405 3.868 3.844 3.882 . 0 0 "[ . 1]" 1
333 1 14 PHE QE 1 23 HIS HB2 3.166 . 4.419 3.167 3.000 3.315 . 0 0 "[ . 1]" 1
334 1 7 TRP HH2 1 28 THR MG 3.170 . 4.426 3.413 2.943 4.211 . 0 0 "[ . 1]" 1
335 1 26 THR HB 1 27 HIS H 3.179 . 4.442 3.861 3.074 4.232 . 0 0 "[ . 1]" 1
336 1 24 LYS QD 1 27 HIS HD2 3.192 . 4.466 3.798 2.175 5.452 0.986 4 4 "[ -*+.* 1]" 1
337 1 2 PRO HB2 1 3 PHE H 3.196 . 4.472 3.385 2.975 3.942 . 0 0 "[ . 1]" 1
338 1 18 ASP HB3 1 19 GLU H 3.196 . 4.472 3.722 2.733 4.102 . 0 0 "[ . 1]" 1
339 1 30 GLU H 1 30 GLU QG 3.199 . 4.478 2.899 2.034 3.981 . 0 0 "[ . 1]" 1
340 1 24 LYS QB 1 27 HIS HD2 3.203 . 4.485 3.991 3.529 4.230 . 0 0 "[ . 1]" 1
341 1 7 TRP HB2 1 10 CYS QB 3.211 . 4.500 3.401 3.296 3.514 . 0 0 "[ . 1]" 1
342 1 14 PHE HZ 1 23 HIS HE1 3.213 . 4.504 3.693 3.505 3.852 . 0 0 "[ . 1]" 1
343 1 4 NLE HA 1 14 PHE QD 3.215 . 4.507 3.705 3.416 3.891 . 0 0 "[ . 1]" 1
344 1 4 NLE H 1 4 NLE HA 3.217 . 4.511 2.924 2.909 2.939 . 0 0 "[ . 1]" 1
345 1 20 LEU HA 1 23 HIS HD2 3.220 . 4.516 4.184 4.104 4.336 . 0 0 "[ . 1]" 1
346 1 25 ARG HA 1 28 THR MG 3.222 . 4.520 4.065 3.608 4.644 0.124 10 0 "[ . 1]" 1
347 1 20 LEU MD1 1 24 LYS H 3.226 . 4.527 3.758 3.632 3.909 . 0 0 "[ . 1]" 1
348 1 7 TRP HB3 1 27 HIS HE1 3.228 . 4.530 3.391 3.074 3.546 . 0 0 "[ . 1]" 1
349 1 16 ARG QB 1 18 ASP H 3.236 . 4.545 2.948 2.751 3.185 . 0 0 "[ . 1]" 1
350 1 7 TRP HA 1 7 TRP HD1 3.238 . 4.549 4.017 3.626 4.157 . 0 0 "[ . 1]" 1
351 1 3 PHE QE 1 17 SER H 3.243 . 4.558 3.260 2.961 3.752 . 0 0 "[ . 1]" 1
352 1 17 SER H 1 17 SER HB3 3.243 . 4.558 2.903 2.692 3.566 . 0 0 "[ . 1]" 1
353 1 14 PHE HB3 1 14 PHE QE 3.251 . 4.572 4.397 4.378 4.409 . 0 0 "[ . 1]" 1
354 1 24 LYS HA 1 26 THR H 3.252 . 4.574 3.577 3.386 3.678 . 0 0 "[ . 1]" 1
355 1 12 LYS QG 1 23 HIS HE1 3.266 . 4.599 3.112 2.694 4.286 . 0 0 "[ . 1]" 1
356 1 15 THR MG 1 16 ARG H 3.267 . 4.601 4.087 3.267 4.345 . 0 0 "[ . 1]" 1
357 1 12 LYS QE 1 23 HIS HE1 3.270 . 4.607 4.127 3.339 5.469 0.862 10 1 "[ . +]" 1
358 1 2 PRO HB3 1 2 PRO HD3 3.276 . 4.617 3.356 3.005 4.022 . 0 0 "[ . 1]" 1
359 1 15 THR H 1 15 THR MG 3.276 . 4.617 3.425 2.079 3.892 . 0 0 "[ . 1]" 1
360 1 24 LYS HA 1 25 ARG H 3.280 . 4.625 3.473 3.452 3.502 . 0 0 "[ . 1]" 1
361 1 22 ARG HA 1 25 ARG H 3.282 . 4.629 3.655 3.410 3.838 . 0 0 "[ . 1]" 1
362 1 3 PHE H 1 14 PHE H 3.283 . 4.631 3.259 3.025 3.568 . 0 0 "[ . 1]" 1
363 1 4 NLE HB2 1 5 CYS H 3.296 . 4.654 4.186 4.046 4.300 . 0 0 "[ . 1]" 1
364 1 25 ARG H 1 25 ARG QD 3.306 . 4.672 3.822 3.712 3.916 . 0 0 "[ . 1]" 1
365 1 20 LEU HG 1 21 GLN H 3.312 . 4.683 3.485 3.418 3.622 . 0 0 "[ . 1]" 1
366 1 14 PHE HB3 1 20 LEU H 3.318 . 4.694 3.736 3.612 3.920 . 0 0 "[ . 1]" 1
367 1 2 PRO HA 1 3 PHE QD 3.319 . 4.696 3.778 3.305 4.085 . 0 0 "[ . 1]" 1
368 1 23 HIS HE1 1 26 THR MG 3.324 . 4.705 4.949 4.406 5.404 0.699 1 3 "[+ -* 1]" 1
369 1 24 LYS QG 1 27 HIS HD2 3.330 . 4.716 3.783 2.952 4.387 . 0 0 "[ . 1]" 1
370 1 16 ARG HA 1 17 SER HA 3.333 . 4.721 4.323 4.283 4.364 . 0 0 "[ . 1]" 1
371 1 5 CYS H 1 14 PHE QD 3.335 . 4.725 3.683 3.582 3.823 . 0 0 "[ . 1]" 1
372 1 5 CYS HA 1 23 HIS HD2 3.339 . 4.732 4.800 4.570 4.992 0.260 8 0 "[ . 1]" 1
373 1 20 LEU HA 1 24 LYS H 3.340 . 4.735 3.998 3.916 4.048 . 0 0 "[ . 1]" 1
374 1 4 NLE HB3 1 5 CYS H 3.344 . 4.742 4.210 4.152 4.263 . 0 0 "[ . 1]" 1
375 1 5 CYS H 1 14 PHE QE 3.350 . 4.753 3.542 3.289 3.706 . 0 0 "[ . 1]" 1
376 1 5 CYS HB3 1 12 LYS QB 3.357 . 4.765 2.637 2.503 2.823 . 0 0 "[ . 1]" 1
377 1 7 TRP HB2 1 8 ABA H 3.363 . 4.777 4.118 3.936 4.576 . 0 0 "[ . 1]" 1
378 1 24 LYS HA 1 27 HIS HB2 3.366 . 4.782 3.491 3.326 3.681 . 0 0 "[ . 1]" 1
379 1 3 PHE QE 1 15 THR HA 3.383 . 4.814 4.137 3.594 4.413 . 0 0 "[ . 1]" 1
380 1 27 HIS H 1 27 HIS HD2 3.385 . 4.817 3.282 3.048 3.528 . 0 0 "[ . 1]" 1
381 1 5 CYS HA 1 7 TRP H 3.393 . 4.832 3.674 3.522 3.912 . 0 0 "[ . 1]" 1
382 1 7 TRP H 1 7 TRP HE3 3.400 . 4.845 4.622 4.468 4.859 0.014 7 0 "[ . 1]" 1
383 1 16 ARG QB 1 17 SER H 3.416 . 4.875 3.029 2.744 3.154 . 0 0 "[ . 1]" 1
384 1 5 CYS HB2 1 12 LYS H 3.420 . 4.882 4.069 3.803 4.250 . 0 0 "[ . 1]" 1
385 1 17 SER HA 1 21 GLN H 3.423 . 4.888 4.055 3.968 4.369 . 0 0 "[ . 1]" 1
386 1 10 CYS HA 1 27 HIS HE1 3.442 . 4.923 4.454 4.219 4.557 . 0 0 "[ . 1]" 1
387 1 18 ASP H 1 18 ASP HB2 3.453 . 4.943 3.210 2.471 3.620 . 0 0 "[ . 1]" 1
388 1 7 TRP H 1 8 ABA H 3.457 . 4.951 4.511 3.940 4.597 . 0 0 "[ . 1]" 1
389 1 7 TRP HE3 1 27 HIS HB3 3.475 . 4.985 4.168 3.961 4.428 . 0 0 "[ . 1]" 1
390 1 7 TRP H 1 7 TRP HD1 3.479 . 4.992 5.006 4.908 5.079 0.087 2 0 "[ . 1]" 1
391 1 17 SER HB2 1 18 ASP H 3.479 . 4.992 3.410 2.554 3.692 . 0 0 "[ . 1]" 1
392 1 14 PHE HB2 1 15 THR H 3.480 . 4.994 3.623 3.390 3.744 . 0 0 "[ . 1]" 1
393 1 7 TRP HE1 1 27 HIS HB3 3.484 . 5.001 4.306 3.916 4.772 . 0 0 "[ . 1]" 1
394 1 7 TRP HB3 1 8 ABA H 3.485 . 5.003 3.852 3.588 4.414 . 0 0 "[ . 1]" 1
395 1 20 LEU HA 1 21 GLN H 3.541 . 5.108 3.554 3.534 3.576 . 0 0 "[ . 1]" 1
396 1 7 TRP HB2 1 27 HIS HE1 3.544 . 5.114 4.412 4.300 4.542 . 0 0 "[ . 1]" 1
397 1 5 CYS H 1 12 LYS H 3.546 . 5.118 3.535 3.394 3.769 . 0 0 "[ . 1]" 1
398 1 7 TRP HE3 1 27 HIS HD2 3.550 . 5.125 4.097 3.921 4.204 . 0 0 "[ . 1]" 1
399 1 3 PHE QD 1 17 SER HB2 3.576 . 5.174 4.846 4.418 5.388 0.214 3 0 "[ . 1]" 1
400 1 7 TRP HD1 1 8 ABA H 3.605 . 5.229 3.290 2.975 4.150 . 0 0 "[ . 1]" 1
401 1 5 CYS H 1 12 LYS QB 3.611 . 5.241 3.692 3.528 3.898 . 0 0 "[ . 1]" 1
402 1 7 TRP HE3 1 8 ABA H 3.642 . 5.300 4.837 4.434 6.195 0.895 7 1 "[ . + 1]" 1
403 1 5 CYS H 1 23 HIS HD2 3.659 . 5.332 5.478 5.284 5.632 0.300 6 0 "[ . 1]" 1
404 1 5 CYS HB3 1 7 TRP H 3.799 . 5.603 3.875 3.818 3.933 . 0 0 "[ . 1]" 1
405 1 19 GLU H 1 21 GLN H 3.927 . 5.855 4.011 3.786 4.215 . 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 28
_Distance_constraint_stats_list.Viol_count 84
_Distance_constraint_stats_list.Viol_total 158.832
_Distance_constraint_stats_list.Viol_max 0.743
_Distance_constraint_stats_list.Viol_rms 0.1230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0567
_Distance_constraint_stats_list.Viol_average_violations_only 0.1891
_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 3 PHE 0.463 0.258 2 0 "[ . 1]"
1 5 CYS 2.203 0.340 3 0 "[ . 1]"
1 11 GLY 2.106 0.340 3 0 "[ . 1]"
1 12 LYS 0.098 0.054 2 0 "[ . 1]"
1 14 PHE 0.463 0.258 2 0 "[ . 1]"
1 16 ARG 1.223 0.242 3 0 "[ . 1]"
1 17 SER 0.155 0.127 3 0 "[ . 1]"
1 18 ASP 0.010 0.010 8 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 LEU 1.227 0.242 3 0 "[ . 1]"
1 21 GLN 5.792 0.743 3 4 "[ *+-. *]"
1 22 ARG 3.694 0.499 4 0 "[ . 1]"
1 23 HIS 0.000 0.000 . 0 "[ . 1]"
1 24 LYS 2.508 0.578 4 1 "[ +. 1]"
1 25 ARG 9.320 0.743 3 4 "[ *+-. *]"
1 26 THR 0.000 0.000 . 0 "[ . 1]"
1 27 HIS 1.530 0.578 4 1 "[ +. 1]"
1 28 THR 0.975 0.218 1 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 3 PHE H 1 14 PHE O 1.900 . 2.000 1.932 1.807 2.258 0.258 2 0 "[ . 1]" 2
2 1 3 PHE N 1 14 PHE O 2.900 2.700 3.100 2.834 2.729 3.096 . 0 0 "[ . 1]" 2
3 1 3 PHE O 1 14 PHE H 1.900 . 2.000 1.809 1.734 1.946 0.066 1 0 "[ . 1]" 2
4 1 3 PHE O 1 14 PHE N 2.900 2.700 3.100 2.750 2.704 2.806 . 0 0 "[ . 1]" 2
5 1 5 CYS H 1 12 LYS O 1.900 . 2.000 1.819 1.746 1.875 0.054 2 0 "[ . 1]" 2
6 1 5 CYS N 1 12 LYS O 2.900 2.700 3.100 2.798 2.729 2.853 . 0 0 "[ . 1]" 2
7 1 5 CYS O 1 11 GLY H 1.900 . 2.000 2.211 2.048 2.340 0.340 3 0 "[ . 1]" 2
8 1 5 CYS O 1 11 GLY N 2.900 2.700 3.100 2.946 2.900 3.028 . 0 0 "[ . 1]" 2
9 1 16 ARG O 1 20 LEU H 1.900 . 2.000 2.104 1.966 2.242 0.242 3 0 "[ . 1]" 2
10 1 16 ARG O 1 20 LEU N 2.900 2.700 3.100 3.048 2.918 3.176 0.076 2 0 "[ . 1]" 2
11 1 17 SER O 1 21 GLN H 1.900 . 2.000 1.931 1.868 2.127 0.127 3 0 "[ . 1]" 2
12 1 17 SER O 1 21 GLN N 2.900 2.700 3.100 2.878 2.811 3.073 . 0 0 "[ . 1]" 2
13 1 18 ASP O 1 22 ARG H 1.900 . 2.000 1.899 1.849 2.010 0.010 8 0 "[ . 1]" 2
14 1 18 ASP O 1 22 ARG N 2.900 2.700 3.100 2.853 2.804 2.973 . 0 0 "[ . 1]" 2
15 1 19 GLU O 1 23 HIS H 1.900 . 2.000 1.901 1.856 1.949 . 0 0 "[ . 1]" 2
16 1 19 GLU O 1 23 HIS N 2.900 2.700 3.100 2.831 2.736 2.887 . 0 0 "[ . 1]" 2
17 1 20 LEU O 1 24 LYS H 1.900 . 2.000 1.844 1.796 1.901 0.004 8 0 "[ . 1]" 2
18 1 20 LEU O 1 24 LYS N 2.900 2.700 3.100 2.770 2.720 2.817 . 0 0 "[ . 1]" 2
19 1 21 GLN O 1 25 ARG H 1.900 . 2.000 2.432 2.183 2.743 0.743 3 4 "[ *+-. *]" 2
20 1 21 GLN O 1 25 ARG N 2.900 2.700 3.100 3.216 3.019 3.495 0.395 3 0 "[ . 1]" 2
21 1 22 ARG O 1 25 ARG H 1.900 . 2.000 2.320 2.189 2.499 0.499 4 0 "[ . 1]" 2
22 1 22 ARG O 1 25 ARG N 2.900 2.700 3.100 3.092 2.856 3.268 0.168 4 0 "[ . 1]" 2
23 1 23 HIS O 1 26 THR H 1.900 . 2.000 1.894 1.861 1.940 . 0 0 "[ . 1]" 2
24 1 23 HIS O 1 26 THR N 2.900 2.700 3.100 2.831 2.798 2.871 . 0 0 "[ . 1]" 2
25 1 24 LYS O 1 27 HIS H 1.900 . 2.000 2.145 2.018 2.578 0.578 4 1 "[ +. 1]" 2
26 1 24 LYS O 1 27 HIS N 2.900 2.700 3.100 2.940 2.845 3.179 0.079 4 0 "[ . 1]" 2
27 1 24 LYS O 1 28 THR H 1.900 . 2.000 2.070 1.929 2.218 0.218 1 0 "[ . 1]" 2
28 1 24 LYS O 1 28 THR N 2.900 2.700 3.100 3.031 2.908 3.177 0.077 1 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 5, 2024 6:49:09 PM GMT (wattos1)