NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620748 |
5gwm   |
36021 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5gwm
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 1201
_Distance_constraint_stats_list.Viol_count 2490
_Distance_constraint_stats_list.Viol_total 5228.445
_Distance_constraint_stats_list.Viol_max 0.962
_Distance_constraint_stats_list.Viol_rms 0.0542
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.1050
_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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 1.055 0.085 10 0 "[ . 1 . 2]"
1 4 ALA 0.136 0.080 8 0 "[ . 1 . 2]"
1 5 ILE 2.765 0.535 20 1 "[ . 1 . +]"
1 6 SER 3.201 0.292 1 0 "[ . 1 . 2]"
1 7 LYS 1.046 0.155 17 0 "[ . 1 . 2]"
1 8 GLU 3.035 0.279 11 0 "[ . 1 . 2]"
1 9 ASP 2.310 0.292 1 0 "[ . 1 . 2]"
1 10 GLU 2.160 0.552 10 1 "[ . + . 2]"
1 11 GLU 3.126 0.627 4 1 "[ +. 1 . 2]"
1 12 ARG 3.181 0.560 6 5 "[- .+ *1* * . 2]"
1 13 TYR 2.087 0.091 9 0 "[ . 1 . 2]"
1 14 GLN 5.100 0.552 10 1 "[ . + . 2]"
1 15 LYS 6.453 0.509 4 2 "[- +. 1 . 2]"
1 16 LEU 10.181 0.906 16 6 "[* .* *- * .+ 2]"
1 17 VAL 5.920 0.179 14 0 "[ . 1 . 2]"
1 18 THR 17.706 0.619 1 5 "[+ *. - 1 *. *2]"
1 19 GLU 7.497 0.619 1 5 "[+ *. * 1 *. *2]"
1 20 ASN 8.808 0.906 16 6 "[* .* *- * .+ 2]"
1 21 GLU 8.326 0.429 4 0 "[ . 1 . 2]"
1 22 GLN 3.727 0.238 3 0 "[ . 1 . 2]"
1 23 LEU 8.584 0.348 19 0 "[ . 1 . 2]"
1 24 GLN 6.698 0.429 4 0 "[ . 1 . 2]"
1 25 ARG 12.503 0.528 17 2 "[ -. 1 . + 2]"
1 26 LEU 11.514 0.722 3 4 "[ +-. 1 . * *2]"
1 27 ILE 5.361 0.169 8 0 "[ . 1 . 2]"
1 28 THR 4.993 0.589 2 1 "[ + . 1 . 2]"
1 29 GLN 6.816 0.722 3 2 "[ + . 1 . -2]"
1 30 LYS 4.094 0.267 12 0 "[ . 1 . 2]"
1 31 GLU 0.710 0.112 5 0 "[ . 1 . 2]"
1 32 GLU 1.349 0.589 2 1 "[ + . 1 . 2]"
1 33 LYS 0.232 0.048 16 0 "[ . 1 . 2]"
1 34 ILE 6.453 0.147 17 0 "[ . 1 . 2]"
1 35 ARG 6.598 0.703 19 7 "[ ** -1 . **+*]"
1 36 VAL 1.083 0.169 7 0 "[ . 1 . 2]"
1 37 LEU 1.239 0.169 2 0 "[ . 1 . 2]"
1 38 ARG 7.735 0.807 9 8 "[ **. +1 * ** *-2]"
1 39 GLN 10.866 0.807 9 8 "[ **. +1 * ** *-2]"
1 40 ARG 4.671 0.182 2 0 "[ . 1 . 2]"
1 41 LEU 3.886 0.687 1 2 "[+ . - . 2]"
1 42 VAL 3.556 0.143 17 0 "[ . 1 . 2]"
1 43 GLU 1.981 0.143 17 0 "[ . 1 . 2]"
1 44 ARG 0.863 0.086 10 0 "[ . 1 . 2]"
1 45 GLY 0.647 0.111 16 0 "[ . 1 . 2]"
1 46 ASP 1.858 0.413 16 0 "[ . 1 . 2]"
1 47 ALA 0.353 0.166 18 0 "[ . 1 . 2]"
1 48 LYS 1.217 0.248 13 0 "[ . 1 . 2]"
1 49 GLY 1.141 0.331 18 0 "[ . 1 . 2]"
1 50 THR 2.137 0.331 18 0 "[ . 1 . 2]"
1 51 GLU 8.009 0.557 7 1 "[ . + 1 . 2]"
1 52 LEU 7.251 0.760 4 1 "[ +. 1 . 2]"
1 53 ASN 1.560 0.237 15 0 "[ . 1 . 2]"
2 2 PRO 0.018 0.018 1 0 "[ . 1 . 2]"
2 3 LEU 0.018 0.018 1 0 "[ . 1 . 2]"
2 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 VAL 3.939 0.200 13 0 "[ . 1 . 2]"
2 11 ASP 0.388 0.082 3 0 "[ . 1 . 2]"
2 12 ASP 0.014 0.014 9 0 "[ . 1 . 2]"
2 13 ARG 3.395 0.307 10 0 "[ . 1 . 2]"
2 14 ARG 0.365 0.092 20 0 "[ . 1 . 2]"
2 15 GLU 3.769 0.307 10 0 "[ . 1 . 2]"
2 16 LEU 0.979 0.202 3 0 "[ . 1 . 2]"
2 17 GLN 5.323 0.329 16 0 "[ . 1 . 2]"
2 18 TYR 7.125 0.454 3 0 "[ . 1 . 2]"
2 19 ARG 2.334 0.202 3 0 "[ . 1 . 2]"
2 20 VAL 1.876 0.207 19 0 "[ . 1 . 2]"
2 21 GLU 9.973 0.471 3 0 "[ . 1 . 2]"
2 22 VAL 7.028 0.245 20 0 "[ . 1 . 2]"
2 23 GLN 0.993 0.046 17 0 "[ . 1 . 2]"
2 24 ASN 0.292 0.090 3 0 "[ . 1 . 2]"
2 25 ARG 2.366 0.117 15 0 "[ . 1 . 2]"
2 26 VAL 7.409 0.399 13 0 "[ . 1 . 2]"
2 27 TYR 2.120 0.153 10 0 "[ . 1 . 2]"
2 28 LYS 0.585 0.040 11 0 "[ . 1 . 2]"
2 29 LYS 3.390 0.449 7 0 "[ . 1 . 2]"
2 30 GLU 4.315 0.399 13 0 "[ . 1 . 2]"
2 31 ILE 9.643 0.182 17 0 "[ . 1 . 2]"
2 32 GLN 6.826 0.222 14 0 "[ . 1 . 2]"
2 33 ALA 2.280 0.128 11 0 "[ . 1 . 2]"
2 34 LEU 1.595 0.202 2 0 "[ . 1 . 2]"
2 35 ASP 2.338 0.155 17 0 "[ . 1 . 2]"
2 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 GLU 4.964 0.161 7 0 "[ . 1 . 2]"
2 38 ILE 4.598 0.149 19 0 "[ . 1 . 2]"
2 39 ARG 13.800 0.832 10 10 "[ - * * *+ * *. * **]"
2 40 LYS 22.263 0.962 20 10 "[* -** * * **. *+]"
2 41 LEU 7.189 0.604 4 1 "[ +. 1 . 2]"
2 42 GLU 1.611 0.106 3 0 "[ . 1 . 2]"
2 43 ARG 7.539 0.806 13 9 "[* -* **1 + *** 2]"
2 44 LEU 0.679 0.110 13 0 "[ . 1 . 2]"
2 45 LEU 6.540 0.486 8 0 "[ . 1 . 2]"
2 46 GLU 7.745 0.836 16 2 "[ * 1 .+ 2]"
2 47 SER 4.957 0.685 16 1 "[ . 1 .+ 2]"
2 48 GLY 0.818 0.374 10 0 "[ . 1 . 2]"
2 49 LEU 0.746 0.374 10 0 "[ . 1 . 2]"
2 50 THR 0.039 0.013 18 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 16 LEU HG 2 21 GLU H 2.535 . 3.338 3.446 3.385 3.492 0.154 14 0 "[ . 1 . 2]" 1
2 1 16 LEU H 1 16 LEU HB3 2.732 . 3.665 2.624 2.553 2.680 . 0 0 "[ . 1 . 2]" 1
3 1 26 LEU HB2 1 27 ILE H 2.889 . 3.932 2.645 2.518 2.780 . 0 0 "[ . 1 . 2]" 1
4 2 45 LEU H 2 45 LEU HB3 2.683 . 3.583 3.547 3.490 3.605 0.022 15 0 "[ . 1 . 2]" 1
5 1 26 LEU H 1 26 LEU HB3 2.678 . 3.574 3.556 3.524 3.565 . 0 0 "[ . 1 . 2]" 1
6 2 44 LEU H 2 44 LEU QB 2.777 . 3.397 2.197 2.025 2.315 . 0 0 "[ . 1 . 2]" 1
7 2 44 LEU QB 2 45 LEU H 2.707 . 3.623 2.412 2.003 2.851 . 0 0 "[ . 1 . 2]" 1
8 2 16 LEU QB 2 17 GLN H 2.584 . 3.419 2.461 2.275 2.621 . 0 0 "[ . 1 . 2]" 1
9 1 5 ILE H 1 5 ILE HB 2.285 . 2.938 2.569 2.474 2.631 . 0 0 "[ . 1 . 2]" 1
10 1 19 GLU H 1 19 GLU HG3 2.924 . 3.993 2.479 2.024 3.422 . 0 0 "[ . 1 . 2]" 1
11 1 19 GLU H 1 19 GLU HG2 2.921 . 3.988 2.978 1.969 3.508 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLU H 1 11 GLU QG 2.615 . 3.370 2.184 2.018 2.336 . 0 0 "[ . 1 . 2]" 1
13 2 21 GLU HG3 2 22 VAL H 2.746 . 3.688 2.234 1.870 2.593 . 0 0 "[ . 1 . 2]" 1
14 2 21 GLU H 2 21 GLU HG3 2.528 . 3.327 2.537 2.071 2.767 . 0 0 "[ . 1 . 2]" 1
15 1 43 GLU H 1 43 GLU HG2 2.623 . 3.483 3.375 3.230 3.523 0.040 15 0 "[ . 1 . 2]" 1
16 2 46 GLU H 2 46 GLU HG2 2.553 . 3.368 3.250 1.938 3.454 0.086 1 0 "[ . 1 . 2]" 1
17 2 15 GLU H 2 15 GLU QG 2.324 . 2.999 2.526 2.274 2.796 . 0 0 "[ . 1 . 2]" 1
18 2 30 GLU HG3 2 31 ILE H 2.705 . 5.000 4.318 3.798 4.820 . 0 0 "[ . 1 . 2]" 1
19 1 32 GLU H 1 32 GLU QG 2.297 . 2.956 2.024 1.782 2.181 . 0 0 "[ . 1 . 2]" 1
20 1 24 GLN H 1 24 GLN HG2 2.568 . 3.392 2.627 2.144 3.665 0.273 4 0 "[ . 1 . 2]" 1
21 1 24 GLN H 1 24 GLN HG3 2.653 . 3.533 3.154 2.235 3.564 0.031 20 0 "[ . 1 . 2]" 1
22 1 29 GLN H 1 29 GLN HG3 2.754 . 3.702 3.056 1.932 3.631 . 0 0 "[ . 1 . 2]" 1
23 2 23 GLN H 2 23 GLN HG2 2.534 . 3.337 2.409 2.267 2.579 . 0 0 "[ . 1 . 2]" 1
24 2 23 GLN H 2 23 GLN HG3 2.623 . 5.000 3.745 3.646 3.861 . 0 0 "[ . 1 . 2]" 1
25 2 17 GLN H 2 17 GLN HG3 2.593 . 3.434 3.220 2.193 3.498 0.064 15 0 "[ . 1 . 2]" 1
26 2 17 GLN H 2 17 GLN HG2 2.578 . 3.409 2.277 1.813 3.236 . 0 0 "[ . 1 . 2]" 1
27 1 48 LYS H 1 48 LYS HB3 2.795 . 3.771 3.221 2.457 3.703 . 0 0 "[ . 1 . 2]" 1
28 2 40 LYS HB3 2 41 LEU H 2.738 . 3.675 3.722 3.473 3.810 0.135 18 0 "[ . 1 . 2]" 1
29 2 40 LYS H 2 40 LYS HB2 2.460 . 5.000 3.591 3.491 3.629 . 0 0 "[ . 1 . 2]" 1
30 1 15 LYS H 1 15 LYS HB2 2.275 . 2.922 2.480 2.397 2.577 . 0 0 "[ . 1 . 2]" 1
31 2 29 LYS QB 2 30 GLU H 2.551 . 3.365 2.784 2.544 3.364 . 0 0 "[ . 1 . 2]" 1
32 1 42 VAL HB 1 43 GLU H 2.305 . 2.969 2.538 2.431 2.846 . 0 0 "[ . 1 . 2]" 1
33 2 20 VAL H 2 20 VAL HB 2.436 . 3.178 2.683 2.625 2.744 . 0 0 "[ . 1 . 2]" 1
34 1 17 VAL HB 1 18 THR H 2.386 . 5.000 4.063 3.970 4.127 . 0 0 "[ . 1 . 2]" 1
35 1 42 VAL H 1 42 VAL HB 2.292 . 2.949 2.469 2.350 2.532 . 0 0 "[ . 1 . 2]" 1
36 2 25 ARG HB2 2 26 VAL H 2.506 . 3.291 2.408 2.182 2.631 . 0 0 "[ . 1 . 2]" 1
37 2 25 ARG HB3 2 26 VAL H 2.530 . 3.330 3.388 3.259 3.447 0.117 15 0 "[ . 1 . 2]" 1
38 2 39 ARG H 2 39 ARG HB3 2.358 . 3.053 2.676 2.416 3.521 0.468 5 0 "[ . 1 . 2]" 1
39 2 42 GLU HB3 2 43 ARG H 2.492 . 5.000 3.786 3.614 3.979 . 0 0 "[ . 1 . 2]" 1
40 1 25 ARG HB2 1 26 LEU H 2.149 . 5.000 4.013 3.908 4.105 . 0 0 "[ . 1 . 2]" 1
41 2 13 ARG H 2 14 ARG QB 2.731 . 5.000 4.403 3.764 4.798 . 0 0 "[ . 1 . 2]" 1
42 1 31 GLU HB2 1 32 GLU H 2.864 . 3.890 2.627 2.447 2.857 . 0 0 "[ . 1 . 2]" 1
43 2 14 ARG QB 2 15 GLU H 2.598 . 3.687 2.590 2.302 3.353 . 0 0 "[ . 1 . 2]" 1
44 1 21 GLU H 1 21 GLU HB2 2.462 . 3.220 2.513 2.456 2.596 . 0 0 "[ . 1 . 2]" 1
45 2 30 GLU H 2 30 GLU HB3 2.548 . 5.000 3.607 3.571 3.641 . 0 0 "[ . 1 . 2]" 1
46 2 30 GLU HB2 2 31 ILE H 2.501 . 3.283 2.381 2.233 2.509 . 0 0 "[ . 1 . 2]" 1
47 1 11 GLU H 1 11 GLU HB2 2.311 . 2.978 2.505 2.348 3.605 0.627 4 1 "[ +. 1 . 2]" 1
48 2 21 GLU HB2 2 22 VAL H 2.755 . 5.000 3.514 3.309 3.779 . 0 0 "[ . 1 . 2]" 1
49 2 15 GLU H 2 15 GLU HB2 2.160 . 2.743 2.266 2.136 2.349 . 0 0 "[ . 1 . 2]" 1
50 2 29 LYS H 2 29 LYS QD 2.698 . 3.608 3.487 3.277 3.605 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLU QB 1 9 ASP H 2.734 . 3.669 2.188 2.006 2.443 . 0 0 "[ . 1 . 2]" 1
52 2 37 GLU H 2 37 GLU HB2 2.273 . 2.919 2.224 2.125 2.517 . 0 0 "[ . 1 . 2]" 1
53 2 23 GLN H 2 23 GLN HB3 2.557 . 5.000 3.582 3.554 3.604 . 0 0 "[ . 1 . 2]" 1
54 2 17 GLN H 2 17 GLN HB3 2.709 . 3.626 2.673 2.430 3.582 . 0 0 "[ . 1 . 2]" 1
55 1 23 LEU HG 1 24 GLN H 2.593 . 3.434 3.467 3.397 3.526 0.092 13 0 "[ . 1 . 2]" 1
56 1 35 ARG H 1 35 ARG HG2 2.774 . 3.736 3.612 2.134 4.439 0.703 19 7 "[ ** -1 . **+*]" 1
57 1 22 GLN H 1 22 GLN HB2 2.576 . 3.406 2.692 2.567 2.779 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLN H 1 14 GLN HB2 2.357 . 3.052 2.507 2.445 2.604 . 0 0 "[ . 1 . 2]" 1
59 1 39 GLN QB 1 40 ARG H 2.617 . 3.473 2.557 2.358 3.388 . 0 0 "[ . 1 . 2]" 1
60 1 14 GLN HB3 1 15 LYS H 2.426 . 3.162 3.246 3.198 3.322 0.160 18 0 "[ . 1 . 2]" 1
61 1 22 GLN H 1 22 GLN HB3 2.562 . 5.000 3.613 3.591 3.647 . 0 0 "[ . 1 . 2]" 1
62 2 19 ARG H 2 19 ARG QG 2.512 . 3.301 2.314 2.044 2.668 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE H 1 5 ILE HG13 2.544 . 3.353 2.145 1.943 3.468 0.115 20 0 "[ . 1 . 2]" 1
64 1 5 ILE H 1 5 ILE HG12 2.555 . 3.371 3.294 1.984 3.421 0.050 19 0 "[ . 1 . 2]" 1
65 1 39 GLN H 1 41 LEU HG 2.898 . 5.000 4.779 4.468 5.052 0.052 1 0 "[ . 1 . 2]" 1
66 2 2 PRO QG 2 3 LEU H 2.909 . 3.967 3.651 3.582 3.706 . 0 0 "[ . 1 . 2]" 1
67 1 44 ARG H 1 44 ARG QG 2.610 . 3.422 2.434 2.197 2.861 . 0 0 "[ . 1 . 2]" 1
68 1 16 LEU QD 2 20 VAL H 2.800 . 3.780 3.715 3.641 3.760 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU QD 2 21 GLU H 2.683 . 3.583 2.135 2.036 2.274 . 0 0 "[ . 1 . 2]" 1
70 1 41 LEU H 1 41 LEU QD 2.593 . 3.434 2.726 2.583 2.964 . 0 0 "[ . 1 . 2]" 1
71 1 15 LYS H 1 15 LYS HG2 2.771 . 3.731 2.258 2.130 2.365 . 0 0 "[ . 1 . 2]" 1
72 1 15 LYS H 1 15 LYS HG3 2.807 . 3.792 3.643 3.583 3.771 . 0 0 "[ . 1 . 2]" 1
73 1 26 LEU H 1 26 LEU QD 2.614 . 3.373 2.944 2.848 3.014 . 0 0 "[ . 1 . 2]" 1
74 2 16 LEU QD 2 17 GLN H 2.808 . 3.793 2.806 2.434 3.037 . 0 0 "[ . 1 . 2]" 1
75 2 16 LEU H 2 16 LEU QD 2.584 . 5.000 3.642 3.550 3.676 . 0 0 "[ . 1 . 2]" 1
76 2 45 LEU H 2 45 LEU QD 2.267 . 2.909 2.258 1.774 2.874 0.027 18 0 "[ . 1 . 2]" 1
77 1 16 LEU H 1 16 LEU QD 2.247 . 5.000 3.624 3.536 3.689 . 0 0 "[ . 1 . 2]" 1
78 2 44 LEU H 2 44 LEU QD 2.493 . 5.000 3.224 2.011 3.811 . 0 0 "[ . 1 . 2]" 1
79 1 36 VAL QG 1 37 LEU H 2.667 . 3.556 3.233 3.153 3.322 . 0 0 "[ . 1 . 2]" 1
80 1 37 LEU H 1 37 LEU QD 2.612 . 5.000 2.412 2.175 3.290 . 0 0 "[ . 1 . 2]" 1
81 2 41 LEU H 2 41 LEU MD2 2.544 . 3.353 3.429 3.368 3.487 0.134 12 0 "[ . 1 . 2]" 1
82 1 17 VAL H 1 17 VAL MG1 2.116 . 2.676 1.712 1.654 1.760 . 0 0 "[ . 1 . 2]" 1
83 2 26 VAL H 2 26 VAL QG 2.069 . 2.604 2.043 1.950 2.158 . 0 0 "[ . 1 . 2]" 1
84 1 36 VAL H 1 36 VAL QG 2.018 . 2.527 1.806 1.742 1.929 . 0 0 "[ . 1 . 2]" 1
85 1 17 VAL MG1 1 18 THR H 2.517 . 3.309 3.423 3.356 3.488 0.179 14 0 "[ . 1 . 2]" 1
86 2 22 VAL H 2 22 VAL MG1 2.093 . 2.640 1.789 1.746 1.831 . 0 0 "[ . 1 . 2]" 1
87 2 22 VAL MG1 2 23 GLN H 2.339 . 3.023 2.264 2.111 2.324 . 0 0 "[ . 1 . 2]" 1
88 1 37 LEU QD 2 44 LEU H 2.877 . 3.912 3.662 3.203 3.863 . 0 0 "[ . 1 . 2]" 1
89 1 42 VAL H 1 42 VAL MG2 1.955 . 2.433 2.189 2.048 2.398 . 0 0 "[ . 1 . 2]" 1
90 2 20 VAL H 2 20 VAL QG 2.276 . 3.553 1.924 1.831 2.016 . 0 0 "[ . 1 . 2]" 1
91 2 20 VAL QG 2 21 GLU H 2.333 . 4.515 3.236 3.168 3.273 . 0 0 "[ . 1 . 2]" 1
92 1 20 ASN HD21 2 20 VAL QG 2.294 . 2.952 2.144 1.638 3.093 0.141 18 0 "[ . 1 . 2]" 1
93 1 28 THR MG 1 29 GLN H 2.611 . 3.463 2.365 2.226 2.593 . 0 0 "[ . 1 . 2]" 1
94 1 28 THR H 1 28 THR MG 2.419 . 3.151 3.037 2.774 3.431 0.280 2 0 "[ . 1 . 2]" 1
95 1 18 THR MG 1 19 GLU H 2.619 . 3.476 2.593 2.152 2.972 . 0 0 "[ . 1 . 2]" 1
96 1 18 THR H 1 18 THR MG 2.441 . 3.186 3.499 3.201 3.635 0.449 5 0 "[ . 1 . 2]" 1
97 1 17 VAL H 1 17 VAL MG2 2.387 . 3.099 2.716 2.583 2.849 . 0 0 "[ . 1 . 2]" 1
98 1 42 VAL MG1 1 43 GLU H 2.435 . 3.176 3.223 3.146 3.319 0.143 17 0 "[ . 1 . 2]" 1
99 1 17 VAL MG2 1 18 THR H 2.607 . 3.456 2.196 2.102 2.277 . 0 0 "[ . 1 . 2]" 1
100 1 42 VAL H 1 42 VAL MG1 2.389 . 5.000 3.755 3.713 3.776 . 0 0 "[ . 1 . 2]" 1
101 2 10 VAL H 2 10 VAL MG1 2.693 . 3.600 3.201 1.934 3.782 0.182 15 0 "[ . 1 . 2]" 1
102 2 22 VAL MG2 2 26 VAL H 2.921 . 3.987 3.456 3.300 3.590 . 0 0 "[ . 1 . 2]" 1
103 2 22 VAL MG2 2 23 GLN H 2.515 . 3.306 2.988 2.802 3.246 . 0 0 "[ . 1 . 2]" 1
104 1 4 ALA H 1 4 ALA MB 2.701 . 3.613 2.298 2.248 2.393 . 0 0 "[ . 1 . 2]" 1
105 1 4 ALA MB 1 5 ILE H 2.309 . 2.975 2.577 2.213 3.055 0.080 8 0 "[ . 1 . 2]" 1
106 2 31 ILE H 2 31 ILE MG 2.568 . 5.000 3.742 3.722 3.760 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE H 1 5 ILE MG 2.434 . 5.000 3.771 3.729 3.799 . 0 0 "[ . 1 . 2]" 1
108 2 38 ILE MG 2 39 ARG H 2.688 . 3.591 2.827 2.632 3.003 . 0 0 "[ . 1 . 2]" 1
109 1 34 ILE H 1 34 ILE MG 2.509 . 5.000 3.757 3.723 3.770 . 0 0 "[ . 1 . 2]" 1
110 1 34 ILE MG 1 35 ARG H 2.615 . 3.470 3.510 3.389 3.593 0.123 17 0 "[ . 1 . 2]" 1
111 1 27 ILE H 1 27 ILE MG 2.540 . 5.000 3.754 3.736 3.768 . 0 0 "[ . 1 . 2]" 1
112 1 27 ILE MG 1 28 THR H 2.604 . 3.452 3.065 2.947 3.221 . 0 0 "[ . 1 . 2]" 1
113 1 34 ILE MD 2 37 GLU H 2.814 . 3.804 3.882 3.808 3.938 0.134 18 0 "[ . 1 . 2]" 1
114 2 31 ILE H 2 31 ILE MD 2.541 . 3.348 3.474 3.450 3.495 0.147 4 0 "[ . 1 . 2]" 1
115 1 27 ILE H 1 27 ILE MD 2.692 . 3.598 3.502 3.432 3.601 0.003 10 0 "[ . 1 . 2]" 1
116 1 5 ILE H 1 5 ILE MD 2.647 . 3.523 3.516 3.081 3.593 0.070 18 0 "[ . 1 . 2]" 1
117 1 24 GLN HA 1 24 GLN QB 2.229 . 2.850 2.252 2.175 2.470 . 0 0 "[ . 1 . 2]" 1
118 1 36 VAL HA 1 36 VAL HB 2.326 . 3.002 3.014 3.006 3.020 0.018 2 0 "[ . 1 . 2]" 1
119 1 24 GLN HA 1 27 ILE HB 2.502 . 3.284 2.855 2.469 3.302 0.018 12 0 "[ . 1 . 2]" 1
120 1 24 GLN HA 1 27 ILE HG13 2.678 . 3.574 3.153 2.754 3.598 0.024 10 0 "[ . 1 . 2]" 1
121 1 24 GLN H 1 24 GLN HA 2.599 . 3.444 2.813 2.724 2.853 . 0 0 "[ . 1 . 2]" 1
122 1 23 LEU MD2 1 24 GLN HA 2.658 . 3.541 3.530 3.330 3.621 0.080 17 0 "[ . 1 . 2]" 1
123 2 23 GLN HA 2 26 VAL QG 2.422 . 3.155 3.036 2.790 3.150 . 0 0 "[ . 1 . 2]" 1
124 2 23 GLN HA 2 23 GLN HB3 2.744 . 3.685 2.554 2.510 2.603 . 0 0 "[ . 1 . 2]" 1
125 2 23 GLN H 2 23 GLN HA 2.518 . 3.311 2.801 2.791 2.811 . 0 0 "[ . 1 . 2]" 1
126 2 23 GLN HA 2 26 VAL H 2.782 . 3.749 3.440 3.171 3.611 . 0 0 "[ . 1 . 2]" 1
127 2 31 ILE HA 2 34 LEU QD 2.497 . 3.276 2.154 1.898 2.401 . 0 0 "[ . 1 . 2]" 1
128 2 31 ILE HA 2 34 LEU HB3 2.793 . 3.768 3.583 3.131 3.833 0.065 10 0 "[ . 1 . 2]" 1
129 2 31 ILE HA 2 31 ILE HG13 2.658 . 3.541 2.940 2.899 2.976 . 0 0 "[ . 1 . 2]" 1
130 2 31 ILE HA 2 34 LEU HB2 2.669 . 3.560 2.108 1.883 2.296 . 0 0 "[ . 1 . 2]" 1
131 2 26 VAL HA 2 26 VAL HB 2.326 . 3.002 3.018 3.012 3.021 0.019 7 0 "[ . 1 . 2]" 1
132 2 26 VAL H 2 26 VAL HA 2.415 . 3.144 2.782 2.761 2.800 . 0 0 "[ . 1 . 2]" 1
133 2 26 VAL HA 2 29 LYS H 2.844 . 3.855 3.369 3.253 3.541 . 0 0 "[ . 1 . 2]" 1
134 2 47 SER HA 2 47 SER HB2 2.041 . 2.562 2.514 2.460 3.016 0.454 10 0 "[ . 1 . 2]" 1
135 2 47 SER H 2 47 SER HB2 2.445 . 3.192 2.597 2.380 2.806 . 0 0 "[ . 1 . 2]" 1
136 1 46 ASP H 1 46 ASP HA 2.337 . 3.020 2.853 2.796 2.918 . 0 0 "[ . 1 . 2]" 1
137 1 5 ILE HA 1 5 ILE HB 2.558 . 3.376 3.023 2.992 3.033 . 0 0 "[ . 1 . 2]" 1
138 1 5 ILE HB 1 5 ILE HG13 2.427 . 3.164 2.487 2.427 2.505 . 0 0 "[ . 1 . 2]" 1
139 1 5 ILE HG12 1 5 ILE MG 2.133 . 2.702 2.397 2.323 3.198 0.496 20 0 "[ . 1 . 2]" 1
140 1 5 ILE HG13 1 5 ILE MG 2.282 . 5.000 3.160 2.359 3.207 . 0 0 "[ . 1 . 2]" 1
141 1 5 ILE HB 1 5 ILE MG 1.954 . 2.431 2.129 2.121 2.134 . 0 0 "[ . 1 . 2]" 1
142 1 5 ILE MG 1 9 ASP HB2 2.466 . 3.226 2.987 1.932 3.320 0.094 8 0 "[ . 1 . 2]" 1
143 1 5 ILE MG 1 9 ASP HB3 2.406 . 3.129 1.986 1.791 2.553 . 0 0 "[ . 1 . 2]" 1
144 1 5 ILE HA 1 5 ILE MG 2.092 . 2.639 2.361 2.307 2.440 . 0 0 "[ . 1 . 2]" 1
145 1 5 ILE MG 1 6 SER H 2.676 . 3.571 2.895 2.320 3.336 . 0 0 "[ . 1 . 2]" 1
146 1 5 ILE MD 1 5 ILE HG13 1.979 . 2.468 2.118 2.101 2.121 . 0 0 "[ . 1 . 2]" 1
147 1 5 ILE HB 1 5 ILE MD 2.098 . 2.648 2.444 2.376 3.183 0.535 20 1 "[ . 1 . +]" 1
148 1 5 ILE MD 1 5 ILE MG 1.863 . 2.297 1.966 1.879 2.000 . 0 0 "[ . 1 . 2]" 1
149 1 5 ILE MD 1 5 ILE HG12 1.975 . 2.463 2.117 2.106 2.119 . 0 0 "[ . 1 . 2]" 1
150 1 5 ILE HA 1 5 ILE MD 2.395 . 5.000 3.778 1.928 3.908 . 0 0 "[ . 1 . 2]" 1
151 1 20 ASN H 1 20 ASN HA 2.563 . 3.384 2.829 2.778 2.886 . 0 0 "[ . 1 . 2]" 1
152 1 22 GLN H 1 22 GLN HA 2.442 . 3.187 2.801 2.778 2.839 . 0 0 "[ . 1 . 2]" 1
153 1 24 GLN HE21 1 24 GLN HG3 2.788 . 3.759 3.080 2.137 3.504 . 0 0 "[ . 1 . 2]" 1
154 1 24 GLN HE21 1 24 GLN HG2 2.593 . 3.434 2.840 2.243 3.488 0.054 3 0 "[ . 1 . 2]" 1
155 1 24 GLN HA 1 24 GLN HG3 2.480 . 5.000 3.535 2.857 3.742 . 0 0 "[ . 1 . 2]" 1
156 1 24 GLN HA 1 24 GLN HG2 2.602 . 5.000 3.375 2.275 3.831 . 0 0 "[ . 1 . 2]" 1
157 1 21 GLU HA 1 24 GLN HG2 2.850 . 3.865 2.931 2.107 4.294 0.429 4 0 "[ . 1 . 2]" 1
158 1 21 GLU HA 1 24 GLN HG3 2.903 . 3.957 3.399 2.503 3.848 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLU HA 1 8 GLU QB 2.377 . 3.083 2.380 2.293 2.477 . 0 0 "[ . 1 . 2]" 1
160 2 25 ARG H 2 25 ARG HG2 2.841 . 3.850 3.605 3.211 3.868 0.018 5 0 "[ . 1 . 2]" 1
161 2 25 ARG H 2 25 ARG HG3 2.684 . 3.584 2.384 2.113 2.635 . 0 0 "[ . 1 . 2]" 1
162 1 25 ARG H 1 25 ARG HG2 2.760 . 3.713 3.904 3.797 4.009 0.296 7 0 "[ . 1 . 2]" 1
163 1 25 ARG H 1 25 ARG HG3 2.832 . 5.000 4.544 4.522 4.571 . 0 0 "[ . 1 . 2]" 1
164 1 35 ARG HA 1 35 ARG HG2 2.664 . 3.551 2.642 2.251 3.175 . 0 0 "[ . 1 . 2]" 1
165 1 35 ARG HA 1 35 ARG HG3 2.810 . 3.797 2.978 2.207 3.789 . 0 0 "[ . 1 . 2]" 1
166 1 25 ARG HD3 1 25 ARG HG3 2.151 . 2.729 2.649 2.369 3.023 0.294 17 0 "[ . 1 . 2]" 1
167 2 24 ASN HB3 2 25 ARG HG3 2.724 . 3.651 3.221 2.995 3.574 . 0 0 "[ . 1 . 2]" 1
168 2 25 ARG HA 2 25 ARG HG3 2.680 . 3.578 2.981 2.760 3.268 . 0 0 "[ . 1 . 2]" 1
169 2 25 ARG HB3 2 25 ARG HG2 2.361 . 3.058 2.422 2.329 2.480 . 0 0 "[ . 1 . 2]" 1
170 2 38 ILE H 2 38 ILE MG 2.620 . 3.478 3.556 3.501 3.589 0.111 17 0 "[ . 1 . 2]" 1
171 2 38 ILE MG 2 39 ARG HA 2.717 . 3.639 3.051 2.955 3.156 . 0 0 "[ . 1 . 2]" 1
172 2 35 ASP HA 2 38 ILE MG 2.669 . 3.559 3.488 3.236 3.595 0.036 2 0 "[ . 1 . 2]" 1
173 2 38 ILE HA 2 38 ILE MG 2.379 . 3.086 2.831 2.784 2.893 . 0 0 "[ . 1 . 2]" 1
174 2 38 ILE MG 2 42 GLU HG2 2.429 . 3.167 3.194 2.981 3.273 0.106 3 0 "[ . 1 . 2]" 1
175 2 38 ILE MD 2 38 ILE MG 1.841 . 5.000 3.250 3.242 3.259 . 0 0 "[ . 1 . 2]" 1
176 2 38 ILE MG 2 41 LEU HB2 2.814 . 3.804 3.527 3.356 3.780 . 0 0 "[ . 1 . 2]" 1
177 2 38 ILE MG 2 42 GLU HG3 2.268 . 2.911 2.269 2.028 2.563 . 0 0 "[ . 1 . 2]" 1
178 2 38 ILE HB 2 38 ILE MG 2.022 . 2.533 2.122 2.119 2.126 . 0 0 "[ . 1 . 2]" 1
179 1 34 ILE HB 1 34 ILE MD 2.599 . 3.444 2.306 2.281 2.339 . 0 0 "[ . 1 . 2]" 1
180 1 34 ILE HB 1 34 ILE MG 2.491 . 3.267 2.122 2.118 2.126 . 0 0 "[ . 1 . 2]" 1
181 2 38 ILE HB 2 38 ILE MD 2.624 . 3.485 2.419 2.372 2.457 . 0 0 "[ . 1 . 2]" 1
182 2 38 ILE H 2 38 ILE HA 2.822 . 3.817 2.774 2.760 2.786 . 0 0 "[ . 1 . 2]" 1
183 1 36 VAL H 1 36 VAL HA 2.574 . 3.402 2.837 2.814 2.879 . 0 0 "[ . 1 . 2]" 1
184 1 36 VAL HA 1 39 GLN H 2.745 . 3.687 3.352 3.211 3.508 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL HA 2 20 VAL QG 2.395 . 3.112 2.152 1.925 2.386 . 0 0 "[ . 1 . 2]" 1
186 2 38 ILE HA 2 41 LEU HB2 2.877 . 3.912 2.238 2.027 2.448 . 0 0 "[ . 1 . 2]" 1
187 1 27 ILE HA 1 27 ILE MG 2.257 . 2.894 2.455 2.411 2.494 . 0 0 "[ . 1 . 2]" 1
188 1 34 ILE HA 1 34 ILE HG13 2.192 . 2.793 2.699 2.606 2.817 0.024 6 0 "[ . 1 . 2]" 1
189 1 34 ILE HA 1 37 LEU HB2 2.656 . 3.538 2.177 1.919 2.348 . 0 0 "[ . 1 . 2]" 1
190 1 27 ILE HA 1 27 ILE HB 2.687 . 3.589 3.020 3.014 3.025 . 0 0 "[ . 1 . 2]" 1
191 1 27 ILE HA 1 27 ILE HG13 2.754 . 3.702 2.920 2.875 2.960 . 0 0 "[ . 1 . 2]" 1
192 1 34 ILE MD 2 38 ILE HA 2.252 . 5.000 4.002 3.608 4.488 . 0 0 "[ . 1 . 2]" 1
193 2 23 GLN H 2 23 GLN HB2 2.388 . 3.101 2.395 2.321 2.476 . 0 0 "[ . 1 . 2]" 1
194 2 23 GLN HA 2 23 GLN HB2 2.636 . 3.504 3.016 3.001 3.025 . 0 0 "[ . 1 . 2]" 1
195 2 20 VAL HA 2 23 GLN HB3 2.766 . 5.000 4.114 3.952 4.468 . 0 0 "[ . 1 . 2]" 1
196 2 20 VAL QG 2 23 GLN HB2 2.693 . 3.599 3.501 3.433 3.563 . 0 0 "[ . 1 . 2]" 1
197 2 23 GLN HB3 2 23 GLN HG2 2.299 . 2.960 3.002 2.999 3.006 0.046 17 0 "[ . 1 . 2]" 1
198 2 23 GLN HB3 2 23 GLN HG3 2.329 . 3.007 2.430 2.376 2.485 . 0 0 "[ . 1 . 2]" 1
199 2 23 GLN HA 2 23 GLN HG2 2.800 . 3.780 2.951 2.813 3.069 . 0 0 "[ . 1 . 2]" 1
200 2 23 GLN HA 2 23 GLN HG3 2.853 . 3.870 3.691 3.646 3.735 . 0 0 "[ . 1 . 2]" 1
201 2 23 GLN HE21 2 23 GLN HG2 2.648 . 3.525 2.261 2.228 2.283 . 0 0 "[ . 1 . 2]" 1
202 2 23 GLN HE21 2 23 GLN HG3 2.795 . 3.771 3.480 3.457 3.494 . 0 0 "[ . 1 . 2]" 1
203 2 23 GLN HE22 2 23 GLN HG2 2.664 . 3.551 3.494 3.482 3.504 . 0 0 "[ . 1 . 2]" 1
204 1 25 ARG HD3 1 26 LEU H 2.772 . 5.000 4.388 3.571 5.014 0.014 3 0 "[ . 1 . 2]" 1
205 2 18 TYR H 2 18 TYR QB 2.530 . 3.165 2.243 2.174 2.271 . 0 0 "[ . 1 . 2]" 1
206 2 18 TYR QB 2 19 ARG H 2.699 . 3.610 2.630 2.415 2.910 . 0 0 "[ . 1 . 2]" 1
207 2 15 GLU HA 2 18 TYR QB 2.435 . 3.176 2.470 2.075 2.968 . 0 0 "[ . 1 . 2]" 1
208 2 24 ASN H 2 24 ASN HB2 2.768 . 3.726 2.567 2.369 2.825 . 0 0 "[ . 1 . 2]" 1
209 1 27 ILE HG12 2 31 ILE HG13 2.704 . 3.618 2.421 2.286 2.612 . 0 0 "[ . 1 . 2]" 1
210 1 27 ILE MG 2 31 ILE HG13 2.592 . 5.000 4.355 4.217 4.559 . 0 0 "[ . 1 . 2]" 1
211 2 26 VAL HA 2 26 VAL QG 1.940 . 2.410 2.118 2.107 2.131 . 0 0 "[ . 1 . 2]" 1
212 2 26 VAL HB 2 26 VAL QG 1.964 . 2.322 1.896 1.889 1.900 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL MG2 1 18 THR HA 2.648 . 3.525 2.930 2.851 2.991 . 0 0 "[ . 1 . 2]" 1
214 2 19 ARG HA 2 22 VAL MG2 2.854 . 3.872 3.953 3.899 4.043 0.171 18 0 "[ . 1 . 2]" 1
215 1 42 VAL HA 1 42 VAL MG1 2.095 . 2.644 2.478 2.441 2.559 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLN HA 1 17 VAL MG2 2.556 . 3.373 2.738 2.465 3.120 . 0 0 "[ . 1 . 2]" 1
217 1 17 VAL HA 1 17 VAL MG2 2.204 . 5.000 3.175 3.140 3.192 . 0 0 "[ . 1 . 2]" 1
218 2 10 VAL HA 2 10 VAL MG2 2.332 . 3.012 2.518 2.271 3.212 0.200 13 0 "[ . 1 . 2]" 1
219 1 36 VAL HA 1 36 VAL QG 2.212 . 2.484 2.118 2.084 2.143 . 0 0 "[ . 1 . 2]" 1
220 2 22 VAL MG2 2 23 GLN HA 2.607 . 3.456 3.115 3.017 3.303 . 0 0 "[ . 1 . 2]" 1
221 2 22 VAL HA 2 22 VAL MG2 2.214 . 2.827 2.668 2.569 2.727 . 0 0 "[ . 1 . 2]" 1
222 1 36 VAL QG 1 40 ARG HD2 2.709 . 3.626 3.181 2.568 3.686 0.060 7 0 "[ . 1 . 2]" 1
223 1 17 VAL HB 1 17 VAL MG2 1.960 . 2.440 2.129 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
224 2 22 VAL HA 2 26 VAL QG 2.595 . 3.437 3.435 3.341 3.491 0.054 16 0 "[ . 1 . 2]" 1
225 1 17 VAL HA 1 17 VAL HB 2.530 . 3.330 2.301 2.274 2.319 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLN HA 1 17 VAL HB 2.546 . 5.000 5.043 4.904 5.112 0.112 12 0 "[ . 1 . 2]" 1
227 1 39 GLN HA 1 42 VAL HB 2.264 . 2.905 2.722 2.403 2.959 0.054 12 0 "[ . 1 . 2]" 1
228 1 42 VAL HB 1 42 VAL MG1 1.823 . 2.239 2.123 2.117 2.127 . 0 0 "[ . 1 . 2]" 1
229 2 26 VAL QG 2 29 LYS QD 2.828 . 3.317 2.768 2.113 3.046 . 0 0 "[ . 1 . 2]" 1
230 1 42 VAL MG1 1 43 GLU HG3 2.680 . 3.578 3.587 3.205 3.657 0.079 20 0 "[ . 1 . 2]" 1
231 1 17 VAL MG1 2 20 VAL QG 2.106 . 2.661 2.102 1.849 2.420 . 0 0 "[ . 1 . 2]" 1
232 1 17 VAL MG1 1 17 VAL MG2 1.775 . 2.169 2.083 2.073 2.098 . 0 0 "[ . 1 . 2]" 1
233 1 17 VAL HB 1 17 VAL MG1 2.039 . 2.559 2.115 2.109 2.120 . 0 0 "[ . 1 . 2]" 1
234 1 14 GLN HA 1 17 VAL MG1 2.357 . 3.051 2.658 2.441 2.961 . 0 0 "[ . 1 . 2]" 1
235 1 17 VAL HA 1 17 VAL MG1 2.089 . 2.634 2.592 2.533 2.654 0.020 4 0 "[ . 1 . 2]" 1
236 1 13 TYR HB3 1 17 VAL MG1 2.799 . 5.000 4.559 4.410 4.797 . 0 0 "[ . 1 . 2]" 1
237 1 13 TYR QD 1 17 VAL MG1 2.704 . 3.618 3.075 2.986 3.167 . 0 0 "[ . 1 . 2]" 1
238 1 13 TYR QE 1 17 VAL MG1 2.411 . 3.138 2.472 2.302 2.680 . 0 0 "[ . 1 . 2]" 1
239 1 19 GLU HB2 1 20 ASN H 2.865 . 3.891 2.583 2.446 2.792 . 0 0 "[ . 1 . 2]" 1
240 1 51 GLU HA 1 51 GLU HB3 2.546 . 3.356 2.588 2.253 3.026 . 0 0 "[ . 1 . 2]" 1
241 1 25 ARG HA 1 25 ARG HB2 2.203 . 2.810 2.279 2.239 2.317 . 0 0 "[ . 1 . 2]" 1
242 2 46 GLU HA 2 46 GLU HB3 2.035 . 2.553 2.478 2.423 2.572 0.019 16 0 "[ . 1 . 2]" 1
243 1 19 GLU HB3 1 23 LEU MD1 2.707 . 5.000 4.287 3.736 4.639 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU HA 1 19 GLU HG3 2.570 . 3.395 2.858 2.630 3.087 . 0 0 "[ . 1 . 2]" 1
245 1 15 LYS HB3 1 19 GLU HG3 2.974 . 4.079 3.908 3.520 4.588 0.509 4 2 "[- +. 1 . 2]" 1
246 1 7 LYS HA 1 11 GLU QG 2.946 . 4.031 3.512 2.403 3.985 . 0 0 "[ . 1 . 2]" 1
247 2 21 GLU HA 2 21 GLU HG2 2.664 . 3.551 3.646 3.574 4.022 0.471 3 0 "[ . 1 . 2]" 1
248 2 21 GLU HA 2 21 GLU HG3 2.516 . 5.000 3.715 3.510 3.783 . 0 0 "[ . 1 . 2]" 1
249 1 8 GLU QB 1 8 GLU HG2 2.171 . 2.760 2.287 2.121 2.380 . 0 0 "[ . 1 . 2]" 1
250 1 21 GLU HB2 1 21 GLU HG3 2.266 . 2.908 2.285 2.226 2.325 . 0 0 "[ . 1 . 2]" 1
251 2 30 GLU HB3 2 30 GLU HG2 2.415 . 3.144 2.772 2.548 3.012 . 0 0 "[ . 1 . 2]" 1
252 1 29 GLN HB2 1 29 GLN HG2 2.607 . 3.457 2.666 2.448 2.995 . 0 0 "[ . 1 . 2]" 1
253 2 30 GLU HB3 2 34 LEU QD 2.823 . 3.612 2.682 2.374 3.024 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU QD 2 21 GLU HB2 2.580 . 3.139 2.908 2.654 3.111 . 0 0 "[ . 1 . 2]" 1
255 1 27 ILE MD 2 30 GLU HB3 2.761 . 3.714 3.086 2.684 3.392 . 0 0 "[ . 1 . 2]" 1
256 1 34 ILE MG 2 37 GLU HB3 2.428 . 3.165 2.501 2.084 2.723 . 0 0 "[ . 1 . 2]" 1
257 2 11 ASP HA 2 15 GLU HB2 2.895 . 3.943 3.257 1.806 4.025 0.082 3 0 "[ . 1 . 2]" 1
258 2 18 TYR HA 2 21 GLU HB2 2.831 . 5.000 5.099 4.728 5.454 0.454 3 0 "[ . 1 . 2]" 1
259 1 10 GLU HA 1 10 GLU HB2 2.075 . 2.613 2.420 2.386 2.466 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLU HA 1 21 GLU HB2 2.356 . 3.050 3.018 3.011 3.029 . 0 0 "[ . 1 . 2]" 1
261 1 18 THR HA 1 21 GLU HB2 2.495 . 3.273 2.930 2.487 3.303 0.030 5 0 "[ . 1 . 2]" 1
262 2 27 TYR HA 2 30 GLU HB2 3.085 . 4.275 2.873 2.576 3.165 . 0 0 "[ . 1 . 2]" 1
263 2 30 GLU HA 2 30 GLU HB3 2.595 . 3.437 2.439 2.383 2.480 . 0 0 "[ . 1 . 2]" 1
264 2 37 GLU HA 2 40 LYS HD2 2.377 . 3.083 2.116 1.768 2.990 . 0 0 "[ . 1 . 2]" 1
265 1 8 GLU QB 1 8 GLU HG3 2.167 . 2.754 2.222 2.156 2.367 . 0 0 "[ . 1 . 2]" 1
266 2 37 GLU QG 2 40 LYS HD2 2.562 . 3.383 2.213 1.872 3.132 . 0 0 "[ . 1 . 2]" 1
267 2 37 GLU HB3 2 40 LYS HD2 2.362 . 3.060 2.719 2.188 3.099 0.039 18 0 "[ . 1 . 2]" 1
268 2 13 ARG H 2 15 GLU HB2 3.119 . 4.335 4.505 4.369 4.642 0.307 10 0 "[ . 1 . 2]" 1
269 1 8 GLU H 1 8 GLU QB 2.649 . 3.467 2.342 2.106 2.559 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLU HA 1 21 GLU HG3 2.249 . 5.000 3.775 3.727 3.835 . 0 0 "[ . 1 . 2]" 1
271 1 21 GLU HA 1 21 GLU HG2 2.159 . 2.741 2.808 2.635 2.874 0.133 14 0 "[ . 1 . 2]" 1
272 1 42 VAL MG1 1 43 GLU HG2 2.888 . 3.930 3.828 3.392 3.959 0.029 7 0 "[ . 1 . 2]" 1
273 1 17 VAL MG2 1 21 GLU HG3 2.617 . 3.473 3.054 2.640 3.379 . 0 0 "[ . 1 . 2]" 1
274 1 21 GLU H 1 21 GLU HG3 2.367 . 3.068 3.257 3.157 3.347 0.279 17 0 "[ . 1 . 2]" 1
275 2 32 GLN H 2 32 GLN HG3 2.534 . 3.337 2.043 1.924 2.466 . 0 0 "[ . 1 . 2]" 1
276 2 32 GLN HG2 2 33 ALA H 2.752 . 5.000 4.696 4.351 4.773 . 0 0 "[ . 1 . 2]" 1
277 2 32 GLN HG3 2 33 ALA H 2.836 . 3.842 3.924 3.825 3.970 0.128 11 0 "[ . 1 . 2]" 1
278 2 32 GLN HA 2 32 GLN HG2 2.373 . 3.077 2.534 2.453 2.599 . 0 0 "[ . 1 . 2]" 1
279 2 32 GLN HA 2 32 GLN HG3 2.406 . 5.000 3.313 3.233 3.635 . 0 0 "[ . 1 . 2]" 1
280 1 29 GLN HA 1 29 GLN HG3 2.475 . 5.000 3.695 3.335 3.931 . 0 0 "[ . 1 . 2]" 1
281 2 32 GLN H 2 32 GLN HG2 2.359 . 3.054 2.951 2.399 3.061 0.007 13 0 "[ . 1 . 2]" 1
282 1 29 GLN H 1 29 GLN HG2 2.643 . 3.516 2.244 1.832 2.941 . 0 0 "[ . 1 . 2]" 1
283 2 32 GLN HB2 2 32 GLN HG3 2.333 . 3.013 2.355 2.210 2.391 . 0 0 "[ . 1 . 2]" 1
284 2 32 GLN HB3 2 32 GLN HG3 2.324 . 2.999 2.987 2.890 3.002 0.003 17 0 "[ . 1 . 2]" 1
285 1 29 GLN HA 1 29 GLN HB3 2.463 . 3.221 2.426 2.350 2.508 . 0 0 "[ . 1 . 2]" 1
286 2 32 GLN HB2 2 32 GLN HG2 2.360 . 3.056 2.998 2.901 3.009 . 0 0 "[ . 1 . 2]" 1
287 2 32 GLN HB2 2 33 ALA MB 2.968 . 4.069 3.902 3.802 4.016 . 0 0 "[ . 1 . 2]" 1
288 1 29 GLN HA 1 29 GLN HG2 2.454 . 3.207 3.020 2.572 3.768 0.561 3 2 "[ + . 1 . -2]" 1
289 1 29 GLN H 1 29 GLN HA 2.274 . 2.920 2.819 2.794 2.862 . 0 0 "[ . 1 . 2]" 1
290 2 32 GLN H 2 32 GLN HA 2.442 . 3.187 2.829 2.804 2.864 . 0 0 "[ . 1 . 2]" 1
291 1 22 GLN HB2 1 22 GLN HG3 2.241 . 2.869 2.448 2.359 2.490 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLN HB2 1 22 GLN HG2 2.397 . 3.115 3.016 3.006 3.023 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLN H 1 22 GLN HG2 2.544 . 3.353 3.145 2.970 3.360 0.007 13 0 "[ . 1 . 2]" 1
294 1 22 GLN H 1 22 GLN HG3 2.475 . 3.241 2.026 1.860 2.348 . 0 0 "[ . 1 . 2]" 1
295 1 14 GLN QG 1 15 LYS H 2.538 . 4.471 3.887 3.822 3.939 . 0 0 "[ . 1 . 2]" 1
296 1 14 GLN H 1 14 GLN QG 2.228 . 2.849 2.118 2.009 2.218 . 0 0 "[ . 1 . 2]" 1
297 1 13 TYR QD 1 14 GLN QG 2.704 . 3.618 3.257 2.821 3.564 . 0 0 "[ . 1 . 2]" 1
298 1 22 GLN HA 1 22 GLN HG2 2.414 . 3.142 2.666 2.509 2.758 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLN HB3 1 22 GLN HG2 2.141 . 2.714 2.448 2.414 2.538 . 0 0 "[ . 1 . 2]" 1
300 1 14 GLN HA 1 14 GLN QG 2.362 . 3.059 2.754 2.314 2.945 . 0 0 "[ . 1 . 2]" 1
301 1 39 GLN H 1 39 GLN HG3 2.537 . 3.342 3.400 2.944 3.518 0.176 5 0 "[ . 1 . 2]" 1
302 1 39 GLN H 1 39 GLN HG2 2.455 . 3.209 2.038 1.820 3.507 0.298 12 0 "[ . 1 . 2]" 1
303 1 26 LEU HB3 1 27 ILE H 3.125 . 4.345 3.739 3.639 3.856 . 0 0 "[ . 1 . 2]" 1
304 2 34 LEU H 2 34 LEU HB2 3.035 . 4.187 2.382 2.067 2.648 . 0 0 "[ . 1 . 2]" 1
305 1 26 LEU HA 1 26 LEU HB3 2.715 . 3.636 2.461 2.429 2.487 . 0 0 "[ . 1 . 2]" 1
306 2 45 LEU HA 2 45 LEU HB3 2.701 . 3.613 2.541 2.423 2.620 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU HA 1 26 LEU HB3 2.840 . 3.848 3.737 3.587 3.875 0.027 7 0 "[ . 1 . 2]" 1
308 2 41 LEU HA 2 44 LEU QB 2.795 . 3.771 2.903 2.434 3.366 . 0 0 "[ . 1 . 2]" 1
309 2 49 LEU HA 2 49 LEU QB 2.462 . 3.220 2.373 2.302 2.468 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HA 1 26 LEU HB2 2.580 . 3.412 3.021 3.016 3.024 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU HA 1 26 LEU HB2 2.605 . 3.453 2.250 2.050 2.464 . 0 0 "[ . 1 . 2]" 1
312 2 41 LEU HA 2 41 LEU HB3 2.842 . 3.852 2.529 2.506 2.557 . 0 0 "[ . 1 . 2]" 1
313 1 25 ARG HG2 1 26 LEU HB3 2.979 . 5.000 4.847 4.617 5.033 0.033 2 0 "[ . 1 . 2]" 1
314 1 26 LEU HB3 1 26 LEU HG 2.448 . 3.197 3.024 3.021 3.027 . 0 0 "[ . 1 . 2]" 1
315 1 16 LEU HB3 1 16 LEU HG 2.774 . 3.736 2.406 2.358 2.440 . 0 0 "[ . 1 . 2]" 1
316 1 37 LEU HB3 2 40 LYS HG3 3.008 . 4.139 2.722 2.317 3.818 . 0 0 "[ . 1 . 2]" 1
317 2 45 LEU HB3 2 45 LEU QD 2.590 . 3.428 2.210 2.112 2.323 . 0 0 "[ . 1 . 2]" 1
318 2 44 LEU QB 2 44 LEU QD 2.228 . 2.849 1.980 1.884 2.068 . 0 0 "[ . 1 . 2]" 1
319 1 41 LEU HB2 1 42 VAL MG2 3.075 . 4.257 3.728 3.524 4.067 . 0 0 "[ . 1 . 2]" 1
320 2 45 LEU HB2 2 45 LEU QD 2.439 . 3.182 2.194 2.116 2.312 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU HB2 1 26 LEU QD 2.191 . 2.911 2.252 2.173 2.284 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU HB2 1 26 LEU HG 2.464 . 3.223 2.498 2.464 2.526 . 0 0 "[ . 1 . 2]" 1
323 2 33 ALA MB 2 34 LEU HB2 2.888 . 5.000 4.358 4.024 4.595 . 0 0 "[ . 1 . 2]" 1
324 1 37 LEU HB2 2 40 LYS HD3 3.001 . 4.127 3.343 2.455 3.843 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU HB2 1 27 ILE HG13 2.625 . 3.487 3.539 3.503 3.565 0.078 11 0 "[ . 1 . 2]" 1
326 2 44 LEU QB 2 49 LEU QB 2.910 . 3.968 3.015 1.965 3.742 . 0 0 "[ . 1 . 2]" 1
327 1 16 LEU HB3 2 20 VAL QG 2.951 . 4.040 2.799 2.588 2.951 . 0 0 "[ . 1 . 2]" 1
328 1 26 LEU HA 1 26 LEU QD 2.417 . 2.559 2.024 1.958 2.096 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU HA 1 26 LEU QD 2.389 . 3.103 1.873 1.834 1.983 . 0 0 "[ . 1 . 2]" 1
330 2 16 LEU QD 2 17 GLN HA 2.074 . 2.611 2.588 2.425 2.657 0.046 20 0 "[ . 1 . 2]" 1
331 1 13 TYR HB2 2 16 LEU QD 2.788 . 5.000 4.802 3.869 5.017 0.017 15 0 "[ . 1 . 2]" 1
332 1 25 ARG HD2 1 26 LEU QD 2.986 . 3.695 3.444 2.612 4.223 0.528 17 2 "[ -. 1 . + 2]" 1
333 1 22 GLN HB2 1 26 LEU QD 2.750 . 3.695 3.738 3.677 3.822 0.127 3 0 "[ . 1 . 2]" 1
334 2 12 ASP QB 2 16 LEU QD 2.871 . 5.000 4.389 3.886 4.690 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLN HB3 1 26 LEU QD 2.666 . 3.555 3.163 2.915 3.401 . 0 0 "[ . 1 . 2]" 1
336 1 25 ARG HG2 1 26 LEU QD 2.752 . 5.000 2.678 2.356 2.908 . 0 0 "[ . 1 . 2]" 1
337 1 26 LEU QD 1 26 LEU HG 2.063 . 2.415 1.888 1.883 1.891 . 0 0 "[ . 1 . 2]" 1
338 1 41 LEU HB2 1 41 LEU QD 2.118 . 2.679 2.275 2.225 2.329 . 0 0 "[ . 1 . 2]" 1
339 2 3 LEU QD 2 3 LEU HG 2.016 . 2.524 1.889 1.880 1.895 . 0 0 "[ . 1 . 2]" 1
340 1 26 LEU HB3 1 26 LEU QD 2.303 . 2.752 2.143 2.131 2.161 . 0 0 "[ . 1 . 2]" 1
341 1 37 LEU HB3 1 41 LEU QD 2.576 . 3.405 3.070 2.734 3.222 . 0 0 "[ . 1 . 2]" 1
342 1 23 LEU HB3 1 26 LEU QD 2.384 . 3.095 2.935 2.686 3.240 0.145 11 0 "[ . 1 . 2]" 1
343 2 16 LEU QD 2 20 VAL QG 2.368 . 2.836 2.197 1.911 2.467 . 0 0 "[ . 1 . 2]" 1
344 2 40 LYS HD3 2 40 LYS HG2 2.148 . 2.725 2.522 2.381 2.901 0.176 10 0 "[ . 1 . 2]" 1
345 1 37 LEU HG 2 40 LYS HG2 2.667 . 3.556 3.143 2.753 3.449 . 0 0 "[ . 1 . 2]" 1
346 1 34 ILE HG12 2 40 LYS HG2 2.864 . 3.889 3.519 3.167 3.772 . 0 0 "[ . 1 . 2]" 1
347 1 26 LEU QD 1 29 GLN HG2 3.055 . 4.222 3.964 3.329 4.295 0.073 9 0 "[ . 1 . 2]" 1
348 1 26 LEU QD 1 29 GLN HG3 2.642 . 3.514 3.335 2.835 4.236 0.722 3 2 "[ + . 1 . -2]" 1
349 2 16 LEU QD 2 19 ARG HD2 2.855 . 3.874 3.041 1.933 4.076 0.202 3 0 "[ . 1 . 2]" 1
350 1 16 LEU QD 2 24 ASN HB3 2.404 . 3.127 3.067 2.709 3.217 0.090 3 0 "[ . 1 . 2]" 1
351 2 16 LEU HA 2 16 LEU QD 2.090 . 2.636 2.106 1.968 2.358 . 0 0 "[ . 1 . 2]" 1
352 1 16 LEU HA 1 16 LEU QD 1.883 . 2.326 1.974 1.894 2.033 . 0 0 "[ . 1 . 2]" 1
353 2 38 ILE HG13 2 45 LEU QD 2.851 . 5.000 4.645 4.323 4.923 . 0 0 "[ . 1 . 2]" 1
354 2 2 PRO HB2 2 2 PRO QG 2.087 . 2.631 2.183 2.180 2.187 . 0 0 "[ . 1 . 2]" 1
355 2 2 PRO QG 2 3 LEU QD 2.292 . 2.948 2.897 2.834 2.966 0.018 1 0 "[ . 1 . 2]" 1
356 2 2 PRO HD2 2 2 PRO QG 2.597 . 3.440 2.187 2.180 2.191 . 0 0 "[ . 1 . 2]" 1
357 1 13 TYR QD 2 20 VAL QG 2.545 . 5.000 2.896 2.507 3.180 . 0 0 "[ . 1 . 2]" 1
358 1 20 ASN HD22 2 20 VAL QG 2.438 . 3.181 2.468 1.790 2.973 0.198 18 0 "[ . 1 . 2]" 1
359 1 13 TYR QE 2 20 VAL QG 2.394 . 3.110 1.853 1.767 1.961 . 0 0 "[ . 1 . 2]" 1
360 1 16 LEU HA 2 20 VAL QG 2.499 . 5.000 3.909 3.805 4.036 . 0 0 "[ . 1 . 2]" 1
361 2 20 VAL HA 2 20 VAL QG 2.245 . 2.875 2.130 2.111 2.144 . 0 0 "[ . 1 . 2]" 1
362 1 20 ASN HB2 2 20 VAL QG 2.643 . 5.000 3.160 1.983 4.790 . 0 0 "[ . 1 . 2]" 1
363 2 20 VAL HB 2 20 VAL QG 2.075 . 2.600 1.891 1.883 1.898 . 0 0 "[ . 1 . 2]" 1
364 2 20 VAL MG1 2 20 VAL MG2 1.863 . 2.297 2.057 2.040 2.078 . 0 0 "[ . 1 . 2]" 1
365 2 19 ARG QG 2 20 VAL QG 2.360 . 3.056 2.559 2.347 2.876 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLU HA 1 31 GLU HG3 2.585 . 5.000 3.637 3.584 3.692 . 0 0 "[ . 1 . 2]" 1
367 2 42 GLU HA 2 42 GLU HG2 2.505 . 3.289 2.499 2.413 2.577 . 0 0 "[ . 1 . 2]" 1
368 2 42 GLU HA 2 42 GLU HG3 2.213 . 5.000 3.116 2.985 3.228 . 0 0 "[ . 1 . 2]" 1
369 2 21 GLU HA 2 21 GLU HB2 2.264 . 2.905 2.597 2.521 2.645 . 0 0 "[ . 1 . 2]" 1
370 2 25 ARG HA 2 25 ARG HB3 2.246 . 2.876 2.502 2.424 2.552 . 0 0 "[ . 1 . 2]" 1
371 2 42 GLU HA 2 45 LEU QD 2.219 . 2.834 2.099 1.838 2.430 . 0 0 "[ . 1 . 2]" 1
372 1 16 LEU QD 2 21 GLU HA 2.311 . 2.979 1.787 1.727 1.849 . 0 0 "[ . 1 . 2]" 1
373 1 31 GLU HA 1 34 ILE MD 2.395 . 3.112 2.729 2.482 3.114 0.002 8 0 "[ . 1 . 2]" 1
374 2 21 GLU HA 2 24 ASN HB2 2.962 . 4.058 2.984 2.371 3.688 . 0 0 "[ . 1 . 2]" 1
375 2 21 GLU HA 2 24 ASN HB3 2.941 . 4.022 2.412 2.046 2.630 . 0 0 "[ . 1 . 2]" 1
376 2 24 ASN HA 2 24 ASN HB2 2.976 . 4.083 2.416 2.335 2.508 . 0 0 "[ . 1 . 2]" 1
377 2 24 ASN H 2 24 ASN HA 2.405 . 3.128 2.779 2.757 2.814 . 0 0 "[ . 1 . 2]" 1
378 2 25 ARG H 2 25 ARG HA 2.454 . 3.207 2.854 2.804 2.891 . 0 0 "[ . 1 . 2]" 1
379 2 25 ARG HA 2 25 ARG HG2 2.223 . 2.841 2.551 2.436 2.701 . 0 0 "[ . 1 . 2]" 1
380 2 45 LEU HA 2 45 LEU HG 2.387 . 3.099 2.780 2.407 3.226 0.127 15 0 "[ . 1 . 2]" 1
381 2 40 LYS HA 2 43 ARG QG 2.768 . 3.726 2.519 2.107 3.516 . 0 0 "[ . 1 . 2]" 1
382 1 5 ILE HA 1 5 ILE HG13 2.595 . 3.437 3.108 2.960 3.648 0.211 20 0 "[ . 1 . 2]" 1
383 1 41 LEU HA 1 41 LEU HG 2.326 . 5.000 3.379 3.132 3.480 . 0 0 "[ . 1 . 2]" 1
384 1 52 LEU HA 1 52 LEU HG 3.010 . 4.142 3.382 2.673 4.222 0.080 1 0 "[ . 1 . 2]" 1
385 2 49 LEU HA 2 49 LEU HG 2.756 . 3.705 3.335 2.910 3.725 0.020 9 0 "[ . 1 . 2]" 1
386 1 44 ARG HA 1 44 ARG QG 2.424 . 3.159 2.636 2.389 3.234 0.075 7 0 "[ . 1 . 2]" 1
387 2 44 LEU HA 2 44 LEU HG 2.752 . 3.699 3.167 2.400 3.724 0.025 10 0 "[ . 1 . 2]" 1
388 1 15 LYS HA 1 15 LYS HG2 2.799 . 3.778 2.965 2.858 3.078 . 0 0 "[ . 1 . 2]" 1
389 1 15 LYS HA 1 15 LYS HG3 2.574 . 5.000 3.719 3.678 3.777 . 0 0 "[ . 1 . 2]" 1
390 2 29 LYS HA 2 29 LYS HG2 2.629 . 3.493 2.869 2.626 3.643 0.150 1 0 "[ . 1 . 2]" 1
391 2 29 LYS HA 2 29 LYS HG3 2.561 . 3.381 2.986 2.654 3.558 0.177 11 0 "[ . 1 . 2]" 1
392 2 40 LYS HA 2 40 LYS HG3 2.688 . 5.000 3.793 3.599 3.918 . 0 0 "[ . 1 . 2]" 1
393 1 7 LYS HA 1 7 LYS QG 2.778 . 3.742 2.466 2.209 3.026 . 0 0 "[ . 1 . 2]" 1
394 2 41 LEU HA 2 41 LEU HG 2.745 . 3.687 3.023 2.978 3.088 . 0 0 "[ . 1 . 2]" 1
395 1 20 ASN HA 1 23 LEU HG 2.656 . 5.000 4.628 4.231 5.034 0.034 12 0 "[ . 1 . 2]" 1
396 1 23 LEU HA 1 23 LEU HG 2.668 . 5.000 3.739 3.676 3.819 . 0 0 "[ . 1 . 2]" 1
397 1 23 LEU HG 2 24 ASN HA 2.864 . 5.000 4.712 4.492 4.970 . 0 0 "[ . 1 . 2]" 1
398 1 5 ILE HA 1 5 ILE HG12 2.575 . 3.404 2.640 2.556 2.994 . 0 0 "[ . 1 . 2]" 1
399 2 40 LYS HA 2 40 LYS HG2 2.638 . 5.000 3.673 3.630 3.755 . 0 0 "[ . 1 . 2]" 1
400 1 33 LYS HA 1 36 VAL QG 2.756 . 3.705 2.768 2.478 3.097 . 0 0 "[ . 1 . 2]" 1
401 1 39 GLN HA 1 42 VAL MG2 2.090 . 2.636 2.043 1.809 2.140 . 0 0 "[ . 1 . 2]" 1
402 1 42 VAL HA 1 42 VAL MG2 1.881 . 2.323 2.331 2.237 2.359 0.036 12 0 "[ . 1 . 2]" 1
403 1 28 THR HB 1 28 THR MG 1.907 . 2.362 2.131 2.113 2.138 . 0 0 "[ . 1 . 2]" 1
404 2 50 THR HB 2 50 THR MG 2.060 . 2.590 2.136 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
405 2 50 THR HA 2 50 THR MG 2.468 . 3.229 2.416 2.270 3.226 . 0 0 "[ . 1 . 2]" 1
406 1 28 THR HA 1 28 THR MG 2.046 . 5.000 3.084 2.881 3.173 . 0 0 "[ . 1 . 2]" 1
407 1 18 THR HB 1 18 THR MG 1.950 . 2.426 2.112 2.101 2.134 . 0 0 "[ . 1 . 2]" 1
408 2 32 GLN HA 2 35 ASP HB2 2.909 . 3.967 2.948 2.524 3.352 . 0 0 "[ . 1 . 2]" 1
409 2 32 GLN HA 2 35 ASP HB3 2.925 . 3.994 2.812 2.516 3.181 . 0 0 "[ . 1 . 2]" 1
410 2 29 LYS HA 2 29 LYS QB 2.193 . 5.000 2.339 2.142 2.420 . 0 0 "[ . 1 . 2]" 1
411 1 7 LYS HA 1 7 LYS HB2 2.289 . 2.944 2.590 2.426 3.012 0.068 2 0 "[ . 1 . 2]" 1
412 2 35 ASP H 2 36 ALA MB 2.833 . 5.000 4.327 4.237 4.405 . 0 0 "[ . 1 . 2]" 1
413 2 33 ALA MB 2 34 LEU H 2.290 . 2.946 2.361 2.300 2.441 . 0 0 "[ . 1 . 2]" 1
414 2 32 GLN H 2 33 ALA MB 2.788 . 5.000 4.250 4.144 4.336 . 0 0 "[ . 1 . 2]" 1
415 2 33 ALA HA 2 33 ALA MB 1.781 . 2.177 2.134 2.130 2.137 . 0 0 "[ . 1 . 2]" 1
416 2 33 ALA MB 2 34 LEU QD 2.662 . 3.548 3.022 2.658 3.403 . 0 0 "[ . 1 . 2]" 1
417 1 3 SER HA 1 3 SER HB2 2.290 . 2.945 2.840 2.452 3.030 0.085 10 0 "[ . 1 . 2]" 1
418 1 42 VAL H 1 42 VAL HA 2.320 . 2.993 2.799 2.764 2.828 . 0 0 "[ . 1 . 2]" 1
419 1 42 VAL HA 1 43 GLU H 2.565 . 5.000 3.525 3.440 3.561 . 0 0 "[ . 1 . 2]" 1
420 1 35 ARG QB 1 36 VAL QG 2.259 . 2.897 2.907 2.825 3.066 0.169 7 0 "[ . 1 . 2]" 1
421 1 42 VAL HB 1 42 VAL MG2 1.810 . 2.220 2.126 2.119 2.130 . 0 0 "[ . 1 . 2]" 1
422 1 42 VAL HA 1 42 VAL HB 2.481 . 3.250 3.026 3.015 3.032 . 0 0 "[ . 1 . 2]" 1
423 2 18 TYR QD 2 22 VAL MG1 2.633 . 3.499 3.412 3.101 3.549 0.050 11 0 "[ . 1 . 2]" 1
424 2 26 VAL QG 2 27 TYR H 2.723 . 3.650 3.104 2.925 3.278 . 0 0 "[ . 1 . 2]" 1
425 1 18 THR MG 1 22 GLN HE21 2.919 . 3.984 2.851 1.782 4.222 0.238 3 0 "[ . 1 . 2]" 1
426 2 22 VAL HB 2 22 VAL MG1 1.980 . 2.470 2.120 2.116 2.122 . 0 0 "[ . 1 . 2]" 1
427 2 22 VAL MG1 2 23 GLN HG2 2.488 . 3.262 2.971 2.749 3.132 . 0 0 "[ . 1 . 2]" 1
428 2 22 VAL HA 2 22 VAL MG1 2.066 . 5.000 3.141 3.111 3.178 . 0 0 "[ . 1 . 2]" 1
429 2 22 VAL MG1 2 23 GLN HA 3.037 . 4.190 4.083 3.798 4.201 0.011 11 0 "[ . 1 . 2]" 1
430 2 19 ARG HA 2 22 VAL MG1 2.467 . 3.228 1.822 1.743 1.905 . 0 0 "[ . 1 . 2]" 1
431 1 37 LEU HA 1 37 LEU QD 2.080 . 2.621 1.882 1.787 1.959 . 0 0 "[ . 1 . 2]" 1
432 2 41 LEU HA 2 41 LEU MD2 2.112 . 2.669 1.955 1.913 1.984 . 0 0 "[ . 1 . 2]" 1
433 2 21 GLU HG2 2 22 VAL MG1 3.106 . 4.312 4.214 4.037 4.341 0.029 9 0 "[ . 1 . 2]" 1
434 1 37 LEU QD 1 40 ARG HD2 2.883 . 3.922 3.022 2.062 3.544 . 0 0 "[ . 1 . 2]" 1
435 1 37 LEU QD 1 40 ARG HD3 2.708 . 3.624 2.777 2.029 3.793 0.169 2 0 "[ . 1 . 2]" 1
436 1 25 ARG HA 1 28 THR HB 2.363 . 3.061 2.783 2.069 3.123 0.062 1 0 "[ . 1 . 2]" 1
437 1 28 THR MG 1 29 GLN HB2 2.674 . 5.000 4.275 4.006 4.621 . 0 0 "[ . 1 . 2]" 1
438 1 28 THR MG 1 32 GLU HB3 2.735 . 5.000 4.646 3.925 5.589 0.589 2 1 "[ + . 1 . 2]" 1
439 1 25 ARG HB2 1 28 THR MG 2.772 . 5.000 3.993 3.723 4.272 . 0 0 "[ . 1 . 2]" 1
440 1 25 ARG HG3 1 28 THR MG 2.625 . 3.486 3.524 3.401 3.606 0.120 4 0 "[ . 1 . 2]" 1
441 1 18 THR MG 1 22 GLN HG2 2.536 . 3.340 3.392 3.024 3.485 0.145 1 0 "[ . 1 . 2]" 1
442 1 18 THR MG 1 22 GLN HG3 2.722 . 3.648 2.852 2.369 3.146 . 0 0 "[ . 1 . 2]" 1
443 1 18 THR MG 1 19 GLU HG2 2.742 . 3.682 3.288 2.275 3.693 0.011 3 0 "[ . 1 . 2]" 1
444 1 18 THR MG 1 19 GLU HG3 2.525 . 3.322 3.524 3.318 3.941 0.619 1 5 "[+ *. - 1 *. *2]" 1
445 1 15 LYS HB3 1 18 THR MG 2.972 . 4.076 4.003 3.245 4.189 0.113 7 0 "[ . 1 . 2]" 1
446 1 17 VAL MG2 1 18 THR MG 3.049 . 4.211 4.340 4.296 4.381 0.170 13 0 "[ . 1 . 2]" 1
447 1 13 TYR H 1 13 TYR HB2 2.596 . 3.438 2.799 2.652 2.914 . 0 0 "[ . 1 . 2]" 1
448 1 41 LEU HA 1 41 LEU HB3 2.465 . 3.224 2.349 2.265 2.425 . 0 0 "[ . 1 . 2]" 1
449 1 16 LEU QD 2 24 ASN HB2 2.651 . 3.530 2.811 2.459 3.396 . 0 0 "[ . 1 . 2]" 1
450 1 16 LEU QD 1 20 ASN HB3 2.905 . 5.000 5.214 4.307 5.906 0.906 16 6 "[* .* *- * .+ 2]" 1
451 1 16 LEU QD 2 21 GLU HG2 2.767 . 3.460 2.219 2.055 2.727 . 0 0 "[ . 1 . 2]" 1
452 1 16 LEU QD 1 16 LEU HG 1.940 . 2.410 1.892 1.887 1.895 . 0 0 "[ . 1 . 2]" 1
453 1 16 LEU HB3 1 16 LEU QD 2.173 . 2.994 2.313 2.261 2.384 . 0 0 "[ . 1 . 2]" 1
454 1 50 THR MG 1 52 LEU QD 2.187 . 2.785 2.386 1.884 2.892 0.107 14 0 "[ . 1 . 2]" 1
455 2 11 ASP QB 2 15 GLU HB2 2.657 . 3.539 3.014 2.045 3.619 0.080 12 0 "[ . 1 . 2]" 1
456 1 41 LEU QD 1 46 ASP HB2 2.631 . 3.497 2.972 2.474 3.291 . 0 0 "[ . 1 . 2]" 1
457 1 41 LEU QD 1 46 ASP HB3 2.895 . 3.942 3.072 2.200 3.843 . 0 0 "[ . 1 . 2]" 1
458 2 11 ASP H 2 11 ASP QB 2.490 . 3.265 2.329 2.107 2.651 . 0 0 "[ . 1 . 2]" 1
459 2 18 TYR HA 2 18 TYR QB 2.481 . 3.251 2.356 2.300 2.435 . 0 0 "[ . 1 . 2]" 1
460 2 31 ILE MG 2 35 ASP HB2 2.516 . 3.307 3.347 3.227 3.462 0.155 17 0 "[ . 1 . 2]" 1
461 2 31 ILE MG 2 32 GLN HG2 2.886 . 3.927 4.029 3.980 4.108 0.181 2 0 "[ . 1 . 2]" 1
462 2 35 ASP HB2 2 38 ILE MG 3.050 . 5.000 4.942 4.638 5.057 0.057 5 0 "[ . 1 . 2]" 1
463 2 31 ILE HB 2 31 ILE MG 2.011 . 2.517 2.129 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
464 2 31 ILE HG13 2 31 ILE MG 2.239 . 5.000 3.206 3.201 3.213 . 0 0 "[ . 1 . 2]" 1
465 1 34 ILE MG 2 40 LYS HD3 2.396 . 3.113 2.142 1.867 3.117 0.004 1 0 "[ . 1 . 2]" 1
466 1 26 LEU HB3 2 31 ILE MG 2.724 . 3.652 3.740 3.652 3.834 0.182 17 0 "[ . 1 . 2]" 1
467 2 31 ILE HA 2 31 ILE MG 2.371 . 3.074 2.418 2.381 2.448 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLU HA 1 34 ILE MG 2.527 . 5.000 4.102 3.868 4.378 . 0 0 "[ . 1 . 2]" 1
469 2 31 ILE MG 2 32 GLN H 2.753 . 3.700 3.511 3.331 3.659 . 0 0 "[ . 1 . 2]" 1
470 2 38 ILE MG 2 42 GLU H 2.864 . 3.889 3.631 3.448 3.858 . 0 0 "[ . 1 . 2]" 1
471 2 30 GLU HB2 2 31 ILE MD 2.865 . 5.000 4.495 4.370 4.593 . 0 0 "[ . 1 . 2]" 1
472 1 27 ILE HG13 2 31 ILE MD 2.291 . 2.947 2.565 2.415 2.716 . 0 0 "[ . 1 . 2]" 1
473 1 23 LEU HG 2 31 ILE MD 2.245 . 5.000 2.959 2.759 3.156 . 0 0 "[ . 1 . 2]" 1
474 2 31 ILE HB 2 31 ILE MD 2.122 . 2.685 2.429 2.410 2.446 . 0 0 "[ . 1 . 2]" 1
475 2 31 ILE MD 2 31 ILE HG13 2.049 . 2.574 2.109 2.104 2.112 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU HB3 2 31 ILE MD 2.444 . 3.190 2.897 2.724 3.001 . 0 0 "[ . 1 . 2]" 1
477 1 23 LEU HB3 2 31 ILE MD 2.508 . 3.294 3.246 3.035 3.370 0.076 17 0 "[ . 1 . 2]" 1
478 2 31 ILE HA 2 31 ILE MD 2.604 . 5.000 3.786 3.762 3.813 . 0 0 "[ . 1 . 2]" 1
479 1 23 LEU HA 2 31 ILE MD 2.362 . 3.060 2.878 2.729 3.051 . 0 0 "[ . 1 . 2]" 1
480 1 27 ILE HA 2 31 ILE MD 2.938 . 4.017 4.024 3.912 4.103 0.086 19 0 "[ . 1 . 2]" 1
481 1 27 ILE H 2 31 ILE MD 3.103 . 4.307 3.252 3.083 3.459 . 0 0 "[ . 1 . 2]" 1
482 2 31 ILE HA 2 31 ILE HG12 2.822 . 3.817 2.461 2.420 2.512 . 0 0 "[ . 1 . 2]" 1
483 2 30 GLU HB2 2 31 ILE HG12 3.060 . 4.231 4.252 4.172 4.299 0.068 3 0 "[ . 1 . 2]" 1
484 2 31 ILE HG12 2 34 LEU HB2 3.046 . 4.206 4.194 4.010 4.310 0.104 17 0 "[ . 1 . 2]" 1
485 2 31 ILE HB 2 31 ILE HG12 2.710 . 3.628 3.022 3.019 3.026 . 0 0 "[ . 1 . 2]" 1
486 2 30 GLU HB2 2 31 ILE HG13 3.093 . 4.289 3.060 2.920 3.174 . 0 0 "[ . 1 . 2]" 1
487 2 38 ILE H 2 38 ILE MD 2.549 . 3.361 2.509 2.408 2.641 . 0 0 "[ . 1 . 2]" 1
488 2 38 ILE MD 2 39 ARG H 3.098 . 5.000 4.417 4.351 4.507 . 0 0 "[ . 1 . 2]" 1
489 1 30 LYS HA 2 38 ILE MD 2.670 . 3.561 3.540 3.009 3.710 0.149 19 0 "[ . 1 . 2]" 1
490 2 35 ASP HA 2 38 ILE MD 2.546 . 3.356 2.258 2.164 2.421 . 0 0 "[ . 1 . 2]" 1
491 2 38 ILE HA 2 38 ILE MD 2.693 . 3.599 2.217 2.098 2.290 . 0 0 "[ . 1 . 2]" 1
492 2 35 ASP HB2 2 38 ILE MD 2.959 . 4.053 4.076 3.994 4.112 0.059 19 0 "[ . 1 . 2]" 1
493 2 34 LEU HB3 2 38 ILE MD 2.620 . 3.478 2.931 2.561 3.331 . 0 0 "[ . 1 . 2]" 1
494 2 38 ILE MD 2 38 ILE HG13 2.294 . 2.952 2.117 2.109 2.121 . 0 0 "[ . 1 . 2]" 1
495 2 38 ILE HB 2 39 ARG H 2.956 . 4.048 3.166 3.084 3.270 . 0 0 "[ . 1 . 2]" 1
496 1 27 ILE MG 1 28 THR HA 2.684 . 3.585 3.069 2.948 3.244 . 0 0 "[ . 1 . 2]" 1
497 1 24 GLN HA 1 27 ILE MG 2.712 . 5.000 4.079 3.802 4.466 . 0 0 "[ . 1 . 2]" 1
498 1 27 ILE MG 1 31 GLU HG3 2.420 . 3.152 2.130 1.874 2.323 . 0 0 "[ . 1 . 2]" 1
499 1 27 ILE MG 1 31 GLU HB2 2.499 . 5.000 3.212 2.801 3.465 . 0 0 "[ . 1 . 2]" 1
500 1 27 ILE MG 1 31 GLU HG2 2.445 . 3.192 2.394 2.196 2.542 . 0 0 "[ . 1 . 2]" 1
501 1 27 ILE HB 1 27 ILE MG 2.120 . 2.682 2.125 2.116 2.128 . 0 0 "[ . 1 . 2]" 1
502 1 27 ILE MD 2 30 GLU HG3 2.529 . 3.329 2.829 2.122 3.335 0.006 10 0 "[ . 1 . 2]" 1
503 1 27 ILE MD 2 30 GLU HB2 2.565 . 3.387 2.350 2.154 2.515 . 0 0 "[ . 1 . 2]" 1
504 1 24 GLN QB 1 27 ILE MD 2.487 . 5.000 3.520 3.028 4.386 . 0 0 "[ . 1 . 2]" 1
505 1 27 ILE HB 1 27 ILE MD 2.219 . 2.834 2.360 2.337 2.381 . 0 0 "[ . 1 . 2]" 1
506 1 27 ILE MD 1 27 ILE HG13 2.261 . 2.900 2.116 2.112 2.120 . 0 0 "[ . 1 . 2]" 1
507 1 23 LEU HG 1 27 ILE MD 2.689 . 3.593 3.018 2.834 3.102 . 0 0 "[ . 1 . 2]" 1
508 1 27 ILE MD 2 27 TYR HA 2.703 . 3.616 2.203 2.021 2.475 . 0 0 "[ . 1 . 2]" 1
509 1 23 LEU HA 1 27 ILE MD 3.025 . 5.000 5.033 4.928 5.101 0.101 18 0 "[ . 1 . 2]" 1
510 1 24 GLN HA 1 27 ILE MD 2.457 . 3.212 2.062 1.809 2.501 . 0 0 "[ . 1 . 2]" 1
511 1 27 ILE HA 1 27 ILE MD 2.694 . 5.000 3.818 3.778 3.856 . 0 0 "[ . 1 . 2]" 1
512 1 27 ILE MD 2 27 TYR HB3 2.897 . 3.946 1.912 1.857 2.011 . 0 0 "[ . 1 . 2]" 1
513 1 27 ILE MD 1 28 THR H 3.010 . 4.143 4.252 4.215 4.312 0.169 8 0 "[ . 1 . 2]" 1
514 1 27 ILE MD 2 27 TYR QD 2.475 . 3.240 2.514 2.199 2.929 . 0 0 "[ . 1 . 2]" 1
515 1 36 VAL HA 1 39 GLN HG3 2.828 . 3.828 2.978 2.640 3.722 . 0 0 "[ . 1 . 2]" 1
516 2 20 VAL HA 2 23 GLN HB2 2.627 . 3.490 2.543 2.378 2.923 . 0 0 "[ . 1 . 2]" 1
517 2 20 VAL HA 2 20 VAL HB 2.586 . 3.422 3.015 3.004 3.025 . 0 0 "[ . 1 . 2]" 1
518 1 34 ILE HA 1 37 LEU HB3 2.854 . 3.872 3.691 3.314 3.911 0.039 3 0 "[ . 1 . 2]" 1
519 1 34 ILE H 1 34 ILE HA 2.861 . 3.884 2.826 2.798 2.843 . 0 0 "[ . 1 . 2]" 1
520 1 34 ILE MG 2 37 GLU QG 2.603 . 3.353 1.898 1.800 1.972 . 0 0 "[ . 1 . 2]" 1
521 1 34 ILE MG 2 40 LYS HG3 2.536 . 5.000 3.878 3.437 4.332 . 0 0 "[ . 1 . 2]" 1
522 1 34 ILE MD 2 38 ILE H 2.831 . 3.833 3.590 3.382 3.835 0.002 9 0 "[ . 1 . 2]" 1
523 1 34 ILE HA 1 34 ILE MD 2.741 . 5.000 3.849 3.820 3.870 . 0 0 "[ . 1 . 2]" 1
524 1 34 ILE MD 2 37 GLU HB2 2.283 . 2.934 2.078 1.957 2.147 . 0 0 "[ . 1 . 2]" 1
525 1 34 ILE MD 2 37 GLU QG 2.543 . 3.363 2.359 2.136 2.667 . 0 0 "[ . 1 . 2]" 1
526 1 31 GLU H 1 34 ILE MD 3.063 . 4.236 3.759 3.516 4.018 . 0 0 "[ . 1 . 2]" 1
527 1 31 GLU HA 1 34 ILE HB 3.028 . 4.174 2.769 2.537 3.098 . 0 0 "[ . 1 . 2]" 1
528 1 7 LYS H 1 7 LYS HB2 2.638 . 3.508 2.397 2.274 2.571 . 0 0 "[ . 1 . 2]" 1
529 1 7 LYS H 1 7 LYS HB3 2.644 . 3.518 2.781 2.432 3.580 0.062 2 0 "[ . 1 . 2]" 1
530 1 34 ILE HG13 1 34 ILE MG 2.771 . 3.731 3.165 3.148 3.187 . 0 0 "[ . 1 . 2]" 1
531 1 34 ILE HG13 2 37 GLU HB2 3.115 . 4.328 4.355 3.724 4.452 0.124 5 0 "[ . 1 . 2]" 1
532 1 27 ILE HG12 2 30 GLU HB2 3.047 . 4.207 2.613 2.350 2.852 . 0 0 "[ . 1 . 2]" 1
533 2 38 ILE HA 2 38 ILE HG13 2.960 . 4.055 2.342 2.306 2.383 . 0 0 "[ . 1 . 2]" 1
534 2 38 ILE HA 2 38 ILE HG12 2.886 . 3.927 3.540 3.525 3.559 . 0 0 "[ . 1 . 2]" 1
535 2 22 VAL HB 2 26 VAL QG 2.776 . 3.740 3.922 3.862 3.985 0.245 20 0 "[ . 1 . 2]" 1
536 1 34 ILE MD 1 34 ILE HG13 2.476 . 3.242 2.122 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
537 1 37 LEU QD 2 40 LYS HB3 2.926 . 3.996 4.005 3.815 4.157 0.161 20 0 "[ . 1 . 2]" 1
538 2 10 VAL HA 2 10 VAL HB 2.275 . 2.922 2.818 2.394 3.016 0.094 2 0 "[ . 1 . 2]" 1
539 1 36 VAL HA 1 39 GLN QB 2.575 . 3.404 3.138 2.524 3.416 0.012 12 0 "[ . 1 . 2]" 1
540 2 17 GLN HA 2 17 GLN HB3 2.664 . 3.551 2.455 2.391 2.537 . 0 0 "[ . 1 . 2]" 1
541 2 17 GLN HB3 2 17 GLN HG3 2.390 . 3.104 2.924 2.477 3.010 . 0 0 "[ . 1 . 2]" 1
542 2 14 ARG HA 2 17 GLN HG3 2.675 . 3.569 3.325 2.529 3.640 0.071 12 0 "[ . 1 . 2]" 1
543 2 14 ARG HA 2 17 GLN HG2 2.641 . 3.513 2.661 2.095 3.605 0.092 20 0 "[ . 1 . 2]" 1
544 2 14 ARG QD 2 15 GLU QG 2.625 . 3.487 2.582 2.151 3.393 . 0 0 "[ . 1 . 2]" 1
545 2 11 ASP HA 2 15 GLU QG 2.733 . 3.667 2.771 2.063 3.609 . 0 0 "[ . 1 . 2]" 1
546 2 21 GLU H 2 21 GLU HG2 2.536 . 3.340 1.977 1.854 2.702 . 0 0 "[ . 1 . 2]" 1
547 1 43 GLU H 1 43 GLU HG3 2.543 . 3.351 2.142 1.978 2.405 . 0 0 "[ . 1 . 2]" 1
548 2 46 GLU H 2 46 GLU HG3 2.576 . 3.406 2.332 2.051 3.492 0.086 16 0 "[ . 1 . 2]" 1
549 2 46 GLU HA 2 46 GLU HG3 2.376 . 3.082 3.152 2.938 3.813 0.731 5 1 "[ + 1 . 2]" 1
550 2 37 GLU H 2 37 GLU QG 2.958 . 3.903 3.436 2.318 3.544 . 0 0 "[ . 1 . 2]" 1
551 1 34 ILE HB 2 37 GLU QG 3.010 . 4.142 4.066 3.966 4.146 0.004 2 0 "[ . 1 . 2]" 1
552 2 37 GLU HA 2 37 GLU QG 2.893 . 3.939 2.490 2.346 2.988 . 0 0 "[ . 1 . 2]" 1
553 2 30 GLU HA 2 30 GLU HG2 2.687 . 3.589 2.745 2.412 3.243 . 0 0 "[ . 1 . 2]" 1
554 2 30 GLU H 2 30 GLU HG2 2.794 . 3.770 2.541 1.908 3.113 . 0 0 "[ . 1 . 2]" 1
555 1 38 ARG HA 1 39 GLN H 2.486 . 5.000 3.535 3.464 3.563 . 0 0 "[ . 1 . 2]" 1
556 1 38 ARG HA 1 40 ARG H 3.247 . 4.565 4.311 4.173 4.507 . 0 0 "[ . 1 . 2]" 1
557 2 21 GLU H 2 21 GLU HA 2.270 . 2.914 2.816 2.791 2.842 . 0 0 "[ . 1 . 2]" 1
558 1 30 LYS HA 1 33 LYS H 2.742 . 3.682 3.646 3.468 3.730 0.048 16 0 "[ . 1 . 2]" 1
559 1 15 LYS H 1 15 LYS HA 2.116 . 2.676 2.773 2.755 2.794 0.118 5 0 "[ . 1 . 2]" 1
560 1 15 LYS HA 1 16 LEU H 2.478 . 5.000 3.488 3.457 3.513 . 0 0 "[ . 1 . 2]" 1
561 2 42 GLU HB3 2 42 GLU HG2 2.552 . 3.366 2.470 2.406 2.516 . 0 0 "[ . 1 . 2]" 1
562 1 38 ARG H 1 38 ARG HA 2.444 . 3.191 2.805 2.764 2.841 . 0 0 "[ . 1 . 2]" 1
563 2 42 GLU HA 2 42 GLU HB3 2.189 . 2.788 2.471 2.435 2.517 . 0 0 "[ . 1 . 2]" 1
564 2 42 GLU HA 2 45 LEU HB2 2.061 . 2.592 2.070 1.855 2.400 . 0 0 "[ . 1 . 2]" 1
565 1 31 GLU HA 1 31 GLU HB2 2.897 . 3.946 2.976 2.941 3.005 . 0 0 "[ . 1 . 2]" 1
566 2 42 GLU H 2 42 GLU HG2 2.547 . 3.358 3.301 3.149 3.386 0.028 4 0 "[ . 1 . 2]" 1
567 1 31 GLU HB3 1 31 GLU HG3 2.527 . 3.325 2.525 2.468 2.643 . 0 0 "[ . 1 . 2]" 1
568 2 42 GLU HB3 2 42 GLU HG3 2.583 . 3.417 3.005 3.002 3.008 . 0 0 "[ . 1 . 2]" 1
569 2 42 GLU HG3 2 45 LEU QD 2.706 . 3.621 3.545 3.373 3.673 0.052 1 0 "[ . 1 . 2]" 1
570 2 42 GLU HG2 2 45 LEU QD 2.705 . 3.620 2.632 2.210 3.052 . 0 0 "[ . 1 . 2]" 1
571 1 31 GLU HA 1 31 GLU HG2 2.643 . 3.516 2.598 2.367 2.695 . 0 0 "[ . 1 . 2]" 1
572 1 31 GLU HG3 2 34 LEU QD 2.717 . 3.640 3.273 3.010 3.530 . 0 0 "[ . 1 . 2]" 1
573 1 31 GLU HG2 2 34 LEU QD 2.593 . 3.434 2.184 1.876 2.499 . 0 0 "[ . 1 . 2]" 1
574 1 27 ILE HB 1 31 GLU HG2 2.989 . 5.000 4.932 4.674 5.090 0.090 16 0 "[ . 1 . 2]" 1
575 1 31 GLU HB2 1 31 GLU HG2 2.666 . 3.554 2.533 2.479 2.649 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLU HB3 1 31 GLU HG2 2.481 . 3.250 2.997 2.962 3.006 . 0 0 "[ . 1 . 2]" 1
577 1 27 ILE HB 1 31 GLU HG3 2.966 . 5.000 4.603 4.258 4.841 . 0 0 "[ . 1 . 2]" 1
578 1 31 GLU HB2 1 31 GLU HG3 2.722 . 3.648 2.334 2.256 2.370 . 0 0 "[ . 1 . 2]" 1
579 1 21 GLU HG2 1 22 GLN H 3.034 . 4.184 4.227 4.128 4.290 0.106 20 0 "[ . 1 . 2]" 1
580 1 8 GLU H 1 8 GLU HG2 3.028 . 4.174 2.856 1.937 4.453 0.279 11 0 "[ . 1 . 2]" 1
581 1 8 GLU H 1 8 GLU HG3 3.075 . 4.257 3.620 1.880 4.344 0.087 11 0 "[ . 1 . 2]" 1
582 1 10 GLU HG3 1 14 GLN QG 2.328 . 3.006 2.816 2.231 3.558 0.552 10 1 "[ . + . 2]" 1
583 2 26 VAL QG 2 30 GLU HG3 2.414 . 3.142 3.094 2.643 3.541 0.399 13 0 "[ . 1 . 2]" 1
584 2 26 VAL QG 2 30 GLU HG2 2.604 . 3.452 3.157 2.517 3.534 0.082 12 0 "[ . 1 . 2]" 1
585 2 30 GLU HG2 2 34 LEU QD 2.732 . 5.000 4.721 4.344 5.202 0.202 2 0 "[ . 1 . 2]" 1
586 1 27 ILE MD 2 30 GLU HG2 2.792 . 5.000 3.813 3.278 4.278 . 0 0 "[ . 1 . 2]" 1
587 1 18 THR HA 1 21 GLU HG3 3.092 . 4.287 3.131 2.259 3.858 . 0 0 "[ . 1 . 2]" 1
588 2 18 TYR HA 2 21 GLU HG3 2.935 . 4.012 2.933 2.525 3.273 . 0 0 "[ . 1 . 2]" 1
589 2 18 TYR HA 2 21 GLU HG2 3.028 . 4.174 2.560 2.235 2.820 . 0 0 "[ . 1 . 2]" 1
590 1 11 GLU H 1 11 GLU HA 2.114 . 2.673 2.764 2.739 2.792 0.119 4 0 "[ . 1 . 2]" 1
591 1 43 GLU HA 1 43 GLU HG2 2.238 . 2.864 2.589 2.451 2.670 . 0 0 "[ . 1 . 2]" 1
592 2 21 GLU HG3 2 22 VAL MG1 3.051 . 4.215 3.028 2.796 3.462 . 0 0 "[ . 1 . 2]" 1
593 1 16 LEU QD 2 21 GLU HG3 2.615 . 3.470 3.396 3.271 3.455 . 0 0 "[ . 1 . 2]" 1
594 1 7 LYS QG 1 11 GLU QG 2.966 . 4.033 2.001 1.716 2.510 0.155 17 0 "[ . 1 . 2]" 1
595 1 7 LYS HD2 1 11 GLU QG 2.807 . 3.792 3.282 2.081 3.793 0.001 8 0 "[ . 1 . 2]" 1
596 1 7 LYS HD3 1 11 GLU QG 2.833 . 3.837 2.870 2.180 3.504 . 0 0 "[ . 1 . 2]" 1
597 1 28 THR MG 1 32 GLU QG 2.678 . 3.575 3.551 3.124 3.637 0.062 8 0 "[ . 1 . 2]" 1
598 2 10 VAL HA 2 11 ASP H 2.350 . 5.000 3.553 3.433 3.593 . 0 0 "[ . 1 . 2]" 1
599 2 10 VAL H 2 10 VAL HA 2.737 . 3.673 2.822 2.748 2.887 . 0 0 "[ . 1 . 2]" 1
600 1 36 VAL QG 1 39 GLN HG3 3.022 . 4.163 3.606 3.194 3.782 . 0 0 "[ . 1 . 2]" 1
601 2 9 VAL QG 2 13 ARG QB 2.978 . 4.087 3.283 2.469 3.860 . 0 0 "[ . 1 . 2]" 1
602 1 36 VAL QG 1 40 ARG HD3 2.974 . 4.079 3.759 3.026 4.164 0.085 4 0 "[ . 1 . 2]" 1
603 2 22 VAL MG1 2 26 VAL QG 2.277 . 5.000 3.887 3.707 4.074 . 0 0 "[ . 1 . 2]" 1
604 2 22 VAL MG1 2 22 VAL MG2 1.723 . 2.094 2.048 2.033 2.058 . 0 0 "[ . 1 . 2]" 1
605 1 48 LYS HA 1 48 LYS HB3 2.623 . 3.483 2.723 2.446 3.029 . 0 0 "[ . 1 . 2]" 1
606 1 48 LYS HA 1 48 LYS HB2 2.611 . 3.463 2.824 2.447 3.026 . 0 0 "[ . 1 . 2]" 1
607 1 27 ILE MD 2 27 TYR QE 2.797 . 3.775 3.732 3.500 3.890 0.115 3 0 "[ . 1 . 2]" 1
608 1 27 ILE MG 1 31 GLU H 3.167 . 4.421 3.661 3.482 3.855 . 0 0 "[ . 1 . 2]" 1
609 2 38 ILE H 2 38 ILE HG12 3.176 . 4.437 4.142 4.059 4.216 . 0 0 "[ . 1 . 2]" 1
610 2 40 LYS HE3 2 40 LYS HG2 2.486 . 5.000 3.569 2.933 4.207 . 0 0 "[ . 1 . 2]" 1
611 2 40 LYS HE3 2 40 LYS HG3 2.393 . 3.109 3.117 2.598 3.804 0.695 8 6 "[* . + * *-. *]" 1
612 1 41 LEU QD 2 40 LYS HE3 2.392 . 3.107 2.605 1.796 3.794 0.687 1 2 "[+ . - . 2]" 1
613 2 29 LYS QB 2 29 LYS HE2 2.809 . 3.728 3.125 2.093 4.177 0.449 7 0 "[ . 1 . 2]" 1
614 2 40 LYS HA 2 40 LYS HE3 2.849 . 5.000 4.610 4.102 5.962 0.962 20 2 "[ . - 1 . +]" 1
615 2 37 GLU HA 2 40 LYS HE3 3.075 . 4.257 3.858 2.027 4.418 0.161 7 0 "[ . 1 . 2]" 1
616 2 40 LYS H 2 40 LYS HG2 3.092 . 4.287 2.714 2.541 3.110 . 0 0 "[ . 1 . 2]" 1
617 2 40 LYS HG3 2 41 LEU HB2 3.100 . 5.000 5.026 4.442 5.464 0.464 4 0 "[ . 1 . 2]" 1
618 1 37 LEU HG 2 40 LYS HG3 2.101 . 2.653 1.958 1.749 2.203 . 0 0 "[ . 1 . 2]" 1
619 2 37 GLU HA 2 40 LYS HG2 3.242 . 4.556 3.153 2.509 3.649 . 0 0 "[ . 1 . 2]" 1
620 2 40 LYS H 2 40 LYS HD2 3.034 . 4.185 3.590 3.202 4.311 0.126 10 0 "[ . 1 . 2]" 1
621 2 40 LYS HG3 2 41 LEU H 3.347 . 4.748 3.158 2.586 3.547 . 0 0 "[ . 1 . 2]" 1
622 1 48 LYS H 1 48 LYS HG2 3.221 . 4.517 3.472 2.180 4.765 0.248 13 0 "[ . 1 . 2]" 1
623 1 7 LYS H 1 7 LYS QG 3.109 . 4.317 3.746 2.420 4.004 . 0 0 "[ . 1 . 2]" 1
624 1 7 LYS QG 1 10 GLU HB3 2.968 . 4.069 3.321 2.420 4.001 . 0 0 "[ . 1 . 2]" 1
625 1 29 GLN HG2 1 30 LYS H 3.108 . 4.315 4.019 2.744 4.582 0.267 12 0 "[ . 1 . 2]" 1
626 1 29 GLN HG3 1 30 LYS H 3.089 . 4.282 4.025 2.045 4.492 0.210 18 0 "[ . 1 . 2]" 1
627 2 29 LYS H 2 29 LYS HG3 2.939 . 4.019 2.607 2.013 4.179 0.160 20 0 "[ . 1 . 2]" 1
628 1 15 LYS HA 1 15 LYS QD 2.334 . 3.015 1.945 1.792 2.086 . 0 0 "[ . 1 . 2]" 1
629 1 44 ARG HA 1 44 ARG QB 2.349 . 3.039 2.311 2.152 2.399 . 0 0 "[ . 1 . 2]" 1
630 2 34 LEU H 2 34 LEU HB3 2.990 . 4.107 3.522 3.394 3.580 . 0 0 "[ . 1 . 2]" 1
631 1 16 LEU HA 1 16 LEU HB3 2.876 . 3.910 3.012 3.003 3.021 . 0 0 "[ . 1 . 2]" 1
632 1 44 ARG QB 1 44 ARG QG 1.997 . 2.467 2.067 1.992 2.088 . 0 0 "[ . 1 . 2]" 1
633 1 16 LEU HG 2 20 VAL H 3.094 . 5.000 4.843 4.673 4.973 . 0 0 "[ . 1 . 2]" 1
634 2 45 LEU QD 2 45 LEU HG 1.904 . 2.357 1.887 1.880 1.891 . 0 0 "[ . 1 . 2]" 1
635 1 13 TYR HA 1 16 LEU QD 2.656 . 3.538 3.080 2.684 3.371 . 0 0 "[ . 1 . 2]" 1
636 1 16 LEU QD 2 20 VAL HB 2.437 . 3.179 2.177 2.066 2.255 . 0 0 "[ . 1 . 2]" 1
637 1 16 LEU HB2 1 16 LEU QD 2.351 . 2.536 2.091 2.071 2.104 . 0 0 "[ . 1 . 2]" 1
638 1 23 LEU H 1 23 LEU HG 2.921 . 3.987 3.804 3.712 3.936 . 0 0 "[ . 1 . 2]" 1
639 1 22 GLN HB2 1 23 LEU H 2.958 . 4.052 2.178 2.043 2.377 . 0 0 "[ . 1 . 2]" 1
640 1 22 GLN HB3 1 23 LEU H 2.944 . 4.027 3.422 3.318 3.595 . 0 0 "[ . 1 . 2]" 1
641 1 23 LEU HG 2 27 TYR HB3 2.691 . 3.596 1.864 1.801 1.949 . 0 0 "[ . 1 . 2]" 1
642 1 23 LEU HB2 1 23 LEU HG 2.259 . 2.897 2.400 2.363 2.429 . 0 0 "[ . 1 . 2]" 1
643 1 23 LEU HG 2 27 TYR QD 2.723 . 3.650 3.473 3.002 3.748 0.098 4 0 "[ . 1 . 2]" 1
644 1 23 LEU HB3 1 26 LEU HB2 3.055 . 4.221 4.323 3.988 4.569 0.348 19 0 "[ . 1 . 2]" 1
645 1 23 LEU MD1 1 23 LEU HG 1.937 . 2.406 2.120 2.116 2.126 . 0 0 "[ . 1 . 2]" 1
646 1 20 ASN HA 1 23 LEU MD1 2.962 . 4.059 3.893 3.524 4.114 0.055 7 0 "[ . 1 . 2]" 1
647 1 37 LEU QD 1 38 ARG H 2.989 . 4.106 3.928 3.897 3.980 . 0 0 "[ . 1 . 2]" 1
648 1 34 ILE HA 1 37 LEU HG 2.765 . 3.720 3.390 3.017 3.798 0.078 9 0 "[ . 1 . 2]" 1
649 1 27 ILE MG 2 34 LEU QD 2.814 . 3.804 1.857 1.738 2.022 0.086 17 0 "[ . 1 . 2]" 1
650 1 37 LEU HG 2 41 LEU H 3.016 . 4.153 3.915 3.704 4.181 0.028 1 0 "[ . 1 . 2]" 1
651 1 37 LEU H 1 37 LEU HB2 3.002 . 4.128 2.168 2.088 2.250 . 0 0 "[ . 1 . 2]" 1
652 1 38 ARG HA 1 41 LEU HB3 2.924 . 5.000 4.244 3.714 4.740 . 0 0 "[ . 1 . 2]" 1
653 1 52 LEU H 1 52 LEU HB3 3.068 . 4.244 3.609 2.696 4.113 . 0 0 "[ . 1 . 2]" 1
654 2 49 LEU QB 2 50 THR H 3.092 . 3.250 2.412 1.950 2.952 . 0 0 "[ . 1 . 2]" 1
655 1 16 LEU QD 1 19 GLU HG2 2.743 . 5.000 4.470 3.900 4.766 . 0 0 "[ . 1 . 2]" 1
656 1 16 LEU QD 1 19 GLU HB2 2.139 . 2.711 2.766 2.669 2.828 0.117 10 0 "[ . 1 . 2]" 1
657 1 52 LEU HA 1 52 LEU QD 2.580 . 5.000 2.573 2.023 3.443 . 0 0 "[ . 1 . 2]" 1
658 1 16 LEU QD 1 17 VAL H 3.114 . 4.326 3.922 3.838 3.973 . 0 0 "[ . 1 . 2]" 1
659 1 16 LEU QD 1 17 VAL MG1 3.023 . 4.165 3.960 3.889 4.022 . 0 0 "[ . 1 . 2]" 1
660 2 45 LEU HB2 2 46 GLU HG2 3.207 . 4.493 4.315 2.776 4.804 0.311 8 0 "[ . 1 . 2]" 1
661 1 37 LEU HG 2 44 LEU QB 3.116 . 5.000 4.196 3.541 4.844 . 0 0 "[ . 1 . 2]" 1
662 1 41 LEU HB3 1 44 ARG QB 2.723 . 3.650 3.657 3.558 3.736 0.086 10 0 "[ . 1 . 2]" 1
663 1 13 TYR QE 2 16 LEU QD 2.976 . 4.083 2.230 2.063 2.458 . 0 0 "[ . 1 . 2]" 1
664 1 37 LEU H 1 37 LEU HA 2.612 . 3.465 2.817 2.764 2.868 . 0 0 "[ . 1 . 2]" 1
665 1 27 ILE HA 2 34 LEU QD 2.508 . 3.294 2.226 1.968 2.474 . 0 0 "[ . 1 . 2]" 1
666 1 34 ILE HA 2 41 LEU HG 2.665 . 3.553 3.607 3.535 3.682 0.129 1 0 "[ . 1 . 2]" 1
667 2 34 LEU H 2 34 LEU QD 2.738 . 3.675 2.701 2.227 3.040 . 0 0 "[ . 1 . 2]" 1
668 2 34 LEU HB2 2 34 LEU QD 2.068 . 2.603 2.196 2.090 2.347 . 0 0 "[ . 1 . 2]" 1
669 2 40 LYS HG3 2 41 LEU HG 2.537 . 3.341 3.405 2.760 3.945 0.604 4 1 "[ +. 1 . 2]" 1
670 1 37 LEU QD 2 41 LEU HG 1.817 . 5.000 3.831 3.678 3.994 . 0 0 "[ . 1 . 2]" 1
671 1 34 ILE HG13 2 41 LEU HG 2.680 . 3.578 3.213 2.760 3.595 0.017 2 0 "[ . 1 . 2]" 1
672 2 41 LEU HA 2 41 LEU HB2 2.911 . 3.971 3.010 3.003 3.015 . 0 0 "[ . 1 . 2]" 1
673 2 40 LYS HG2 2 41 LEU H 3.193 . 4.468 1.986 1.864 2.189 0.054 19 0 "[ . 1 . 2]" 1
674 2 49 LEU HA 2 49 LEU QD 2.034 . 2.551 2.064 1.889 2.235 . 0 0 "[ . 1 . 2]" 1
675 1 51 GLU HA 1 52 LEU QD 3.145 . 4.381 3.840 2.421 4.313 . 0 0 "[ . 1 . 2]" 1
676 2 44 LEU HA 2 44 LEU QD 1.899 . 2.350 2.129 1.832 2.396 0.046 17 0 "[ . 1 . 2]" 1
677 2 18 TYR HA 2 22 VAL MG1 3.118 . 4.333 4.189 4.085 4.301 . 0 0 "[ . 1 . 2]" 1
678 2 25 ARG H 2 26 VAL QG 3.028 . 4.174 3.924 3.742 4.109 . 0 0 "[ . 1 . 2]" 1
679 2 44 LEU QD 2 44 LEU HG 1.900 . 2.351 1.892 1.888 1.895 . 0 0 "[ . 1 . 2]" 1
680 1 5 ILE HB 1 5 ILE HG12 2.573 . 3.400 2.996 2.423 3.030 . 0 0 "[ . 1 . 2]" 1
681 2 34 LEU H 2 34 LEU HA 2.646 . 3.521 2.800 2.768 2.825 . 0 0 "[ . 1 . 2]" 1
682 1 34 ILE MD 2 34 LEU HA 2.428 . 3.165 2.696 2.301 2.976 . 0 0 "[ . 1 . 2]" 1
683 2 32 GLN HB2 2 34 LEU H 3.445 . 4.928 4.905 4.795 4.959 0.031 1 0 "[ . 1 . 2]" 1
684 1 25 ARG HD2 1 26 LEU HG 1.988 . 5.000 3.826 3.077 4.871 . 0 0 "[ . 1 . 2]" 1
685 2 31 ILE MD 2 32 GLN H 3.035 . 5.000 4.718 4.606 4.870 . 0 0 "[ . 1 . 2]" 1
686 1 51 GLU H 1 51 GLU HB2 3.035 . 4.186 2.925 2.323 3.864 . 0 0 "[ . 1 . 2]" 1
687 2 39 ARG HG2 2 40 LYS H 3.002 . 4.128 4.005 3.410 4.913 0.785 5 4 "[ - + 1 *. *2]" 1
688 1 35 ARG HA 1 35 ARG QB 2.305 . 2.969 2.421 2.341 2.509 . 0 0 "[ . 1 . 2]" 1
689 1 6 SER H 1 8 GLU QB 2.766 . 3.722 3.739 3.546 3.806 0.084 12 0 "[ . 1 . 2]" 1
690 1 37 LEU HA 1 37 LEU HG 2.737 . 3.673 3.661 3.602 3.710 0.037 4 0 "[ . 1 . 2]" 1
691 2 22 VAL H 2 22 VAL HA 2.498 . 3.278 2.830 2.807 2.850 . 0 0 "[ . 1 . 2]" 1
692 2 34 LEU HA 2 34 LEU QD 2.710 . 5.000 2.014 1.878 2.131 . 0 0 "[ . 1 . 2]" 1
693 1 5 ILE MG 1 10 GLU H 2.641 . 3.513 3.171 2.453 3.595 0.082 4 0 "[ . 1 . 2]" 1
694 1 25 ARG HB2 1 25 ARG HD2 1.920 . 5.000 3.125 2.640 3.496 . 0 0 "[ . 1 . 2]" 1
695 1 23 LEU HG 2 27 TYR H 3.313 . 4.685 4.756 4.696 4.838 0.153 10 0 "[ . 1 . 2]" 1
696 1 32 GLU HA 1 35 ARG H 2.873 . 3.905 3.498 3.304 3.810 . 0 0 "[ . 1 . 2]" 1
697 1 35 ARG H 1 35 ARG HA 2.451 . 3.202 2.771 2.693 2.846 . 0 0 "[ . 1 . 2]" 1
698 1 34 ILE HA 1 35 ARG H 3.103 . 4.306 3.508 3.489 3.547 . 0 0 "[ . 1 . 2]" 1
699 1 20 ASN HB2 1 21 GLU H 3.043 . 4.200 3.504 2.462 4.198 . 0 0 "[ . 1 . 2]" 1
700 1 38 ARG H 1 38 ARG QD 3.456 . 4.773 3.899 3.288 4.252 . 0 0 "[ . 1 . 2]" 1
701 1 42 VAL HA 1 44 ARG H 3.327 . 4.711 4.143 3.815 4.548 . 0 0 "[ . 1 . 2]" 1
702 2 14 ARG H 2 14 ARG QD 3.404 . 4.852 4.106 3.291 4.331 . 0 0 "[ . 1 . 2]" 1
703 1 18 THR MG 1 22 GLN HE22 3.061 . 4.232 3.244 2.770 3.995 . 0 0 "[ . 1 . 2]" 1
704 1 21 GLU HA 1 24 GLN HE22 3.379 . 4.806 3.412 2.765 4.331 . 0 0 "[ . 1 . 2]" 1
705 2 23 GLN HB2 2 23 GLN HE21 2.938 . 4.017 4.006 3.942 4.044 0.027 19 0 "[ . 1 . 2]" 1
706 2 23 GLN HE22 2 26 VAL QG 3.336 . 4.727 3.060 2.584 3.467 . 0 0 "[ . 1 . 2]" 1
707 2 23 GLN HE21 2 26 VAL QG 3.043 . 4.200 3.106 2.888 3.227 . 0 0 "[ . 1 . 2]" 1
708 1 40 ARG H 1 40 ARG HG3 2.885 . 3.925 3.048 2.164 4.107 0.182 2 0 "[ . 1 . 2]" 1
709 2 14 ARG H 2 14 ARG QB 2.382 . 3.091 2.229 2.084 2.553 . 0 0 "[ . 1 . 2]" 1
710 1 40 ARG H 1 40 ARG HB2 2.422 . 3.155 2.262 2.119 2.441 . 0 0 "[ . 1 . 2]" 1
711 1 40 ARG H 1 40 ARG HB3 2.585 . 3.420 3.509 3.435 3.551 0.131 16 0 "[ . 1 . 2]" 1
712 1 40 ARG H 1 40 ARG HA 2.434 . 3.175 2.805 2.771 2.824 . 0 0 "[ . 1 . 2]" 1
713 2 47 SER HA 2 48 GLY H 2.602 . 3.448 3.393 3.274 3.519 0.071 15 0 "[ . 1 . 2]" 1
714 2 48 GLY H 2 48 GLY HA2 2.274 . 2.920 2.370 2.291 2.458 . 0 0 "[ . 1 . 2]" 1
715 1 9 ASP HA 1 10 GLU H 2.945 . 4.029 3.488 3.412 3.529 . 0 0 "[ . 1 . 2]" 1
716 1 10 GLU H 1 10 GLU HA 2.508 . 3.294 2.811 2.778 2.837 . 0 0 "[ . 1 . 2]" 1
717 1 9 ASP HB2 1 10 GLU H 2.985 . 4.099 3.861 2.980 4.028 . 0 0 "[ . 1 . 2]" 1
718 1 10 GLU H 1 10 GLU HG2 2.742 . 5.000 4.424 4.304 4.579 . 0 0 "[ . 1 . 2]" 1
719 1 10 GLU H 1 10 GLU HB2 2.334 . 3.015 2.598 2.474 2.711 . 0 0 "[ . 1 . 2]" 1
720 1 10 GLU H 1 12 ARG H 2.895 . 3.942 3.898 3.764 4.014 0.072 1 0 "[ . 1 . 2]" 1
721 1 18 THR HB 1 19 GLU H 2.662 . 3.548 2.713 2.264 3.234 . 0 0 "[ . 1 . 2]" 1
722 1 19 GLU H 1 19 GLU HA 2.488 . 3.262 2.774 2.757 2.793 . 0 0 "[ . 1 . 2]" 1
723 1 51 GLU HA 1 52 LEU H 2.268 . 2.911 2.186 2.066 2.758 . 0 0 "[ . 1 . 2]" 1
724 1 51 GLU HB2 1 52 LEU H 2.985 . 4.099 4.038 1.855 4.558 0.459 15 0 "[ . 1 . 2]" 1
725 1 51 GLU HB3 1 52 LEU H 3.234 . 4.541 3.858 3.101 4.304 . 0 0 "[ . 1 . 2]" 1
726 1 52 LEU H 1 52 LEU HG 2.343 . 3.029 2.712 2.126 3.789 0.760 4 1 "[ +. 1 . 2]" 1
727 1 17 VAL H 1 19 GLU H 3.221 . 4.518 4.227 4.033 4.388 . 0 0 "[ . 1 . 2]" 1
728 1 18 THR H 1 19 GLU H 2.808 . 3.794 2.716 2.584 2.786 . 0 0 "[ . 1 . 2]" 1
729 1 19 GLU H 1 20 ASN H 2.966 . 4.065 2.738 2.607 2.859 . 0 0 "[ . 1 . 2]" 1
730 2 27 TYR HA 2 31 ILE H 3.707 . 5.425 4.322 4.137 4.445 . 0 0 "[ . 1 . 2]" 1
731 2 30 GLU HA 2 31 ILE H 2.991 . 4.109 3.551 3.532 3.570 . 0 0 "[ . 1 . 2]" 1
732 2 28 LYS HA 2 31 ILE H 3.094 . 4.290 3.395 3.151 3.607 . 0 0 "[ . 1 . 2]" 1
733 2 31 ILE H 2 31 ILE HA 2.860 . 3.883 2.782 2.764 2.798 . 0 0 "[ . 1 . 2]" 1
734 2 30 GLU HG2 2 31 ILE H 3.427 . 4.895 4.421 3.832 4.784 . 0 0 "[ . 1 . 2]" 1
735 2 30 GLU HB3 2 31 ILE H 3.009 . 4.141 3.544 3.414 3.646 . 0 0 "[ . 1 . 2]" 1
736 2 31 ILE H 2 31 ILE HB 2.525 . 3.322 2.490 2.430 2.548 . 0 0 "[ . 1 . 2]" 1
737 2 31 ILE H 2 31 ILE HG13 2.811 . 3.799 2.001 1.939 2.042 . 0 0 "[ . 1 . 2]" 1
738 2 31 ILE H 2 31 ILE HG12 2.492 . 3.268 3.290 3.214 3.325 0.057 11 0 "[ . 1 . 2]" 1
739 2 29 LYS H 2 31 ILE H 3.584 . 5.190 4.284 4.138 4.417 . 0 0 "[ . 1 . 2]" 1
740 1 2 ASP HA 1 3 SER H 3.449 . 4.936 2.751 2.110 3.559 . 0 0 "[ . 1 . 2]" 1
741 2 24 ASN HA 2 25 ARG H 3.301 . 4.663 3.540 3.515 3.563 . 0 0 "[ . 1 . 2]" 1
742 2 23 GLN HA 2 25 ARG H 3.437 . 4.914 4.264 4.028 4.485 . 0 0 "[ . 1 . 2]" 1
743 2 22 VAL HA 2 25 ARG H 3.159 . 4.406 3.168 2.950 3.359 . 0 0 "[ . 1 . 2]" 1
744 2 24 ASN HB3 2 25 ARG H 2.963 . 4.061 2.596 2.398 2.784 . 0 0 "[ . 1 . 2]" 1
745 2 24 ASN HB2 2 25 ARG H 2.916 . 3.979 3.907 3.801 4.001 0.022 9 0 "[ . 1 . 2]" 1
746 2 25 ARG H 2 25 ARG HB3 2.641 . 3.513 3.567 3.532 3.590 0.077 8 0 "[ . 1 . 2]" 1
747 2 25 ARG H 2 25 ARG HB2 2.478 . 3.246 2.393 2.287 2.584 . 0 0 "[ . 1 . 2]" 1
748 2 25 ARG H 2 26 VAL H 2.783 . 3.751 2.597 2.421 2.819 . 0 0 "[ . 1 . 2]" 1
749 2 24 ASN H 2 25 ARG H 2.850 . 3.865 2.805 2.668 2.901 . 0 0 "[ . 1 . 2]" 1
750 1 3 SER HA 1 4 ALA H 2.947 . 4.032 3.415 3.107 3.563 . 0 0 "[ . 1 . 2]" 1
751 2 46 GLU HA 2 47 SER H 2.521 . 5.000 3.488 3.343 3.562 . 0 0 "[ . 1 . 2]" 1
752 2 47 SER H 2 47 SER HB3 2.340 . 3.025 2.612 2.514 3.515 0.490 10 0 "[ . 1 . 2]" 1
753 2 46 GLU HG3 2 47 SER H 3.399 . 5.000 4.318 2.362 4.983 . 0 0 "[ . 1 . 2]" 1
754 2 46 GLU HG2 2 47 SER H 3.428 . 4.897 4.876 2.453 5.116 0.219 6 0 "[ . 1 . 2]" 1
755 2 47 SER H 2 47 SER HA 2.409 . 3.135 2.868 2.808 2.925 . 0 0 "[ . 1 . 2]" 1
756 2 44 LEU HA 2 47 SER H 2.964 . 4.062 3.627 3.109 4.172 0.110 13 0 "[ . 1 . 2]" 1
757 2 46 GLU HB2 2 47 SER H 2.512 . 3.301 2.944 2.638 3.986 0.685 16 1 "[ . 1 .+ 2]" 1
758 2 47 SER H 2 48 GLY H 2.795 . 3.772 2.475 2.237 2.663 . 0 0 "[ . 1 . 2]" 1
759 1 51 GLU H 1 52 LEU H 2.602 . 5.000 4.227 3.585 4.560 . 0 0 "[ . 1 . 2]" 1
760 1 18 THR H 1 18 THR HB 2.587 . 3.424 2.133 2.051 2.285 . 0 0 "[ . 1 . 2]" 1
761 1 18 THR H 1 18 THR HA 2.683 . 3.582 2.784 2.758 2.808 . 0 0 "[ . 1 . 2]" 1
762 1 17 VAL HA 1 18 THR H 3.461 . 4.959 3.485 3.447 3.513 . 0 0 "[ . 1 . 2]" 1
763 1 17 VAL H 1 18 THR H 2.902 . 3.955 2.565 2.500 2.661 . 0 0 "[ . 1 . 2]" 1
764 1 43 GLU H 1 43 GLU HA 2.272 . 2.917 2.835 2.812 2.880 . 0 0 "[ . 1 . 2]" 1
765 1 43 GLU H 1 43 GLU HB2 2.283 . 2.935 2.509 2.429 2.578 . 0 0 "[ . 1 . 2]" 1
766 1 42 VAL MG2 1 43 GLU H 2.918 . 3.982 3.856 3.776 4.013 0.031 7 0 "[ . 1 . 2]" 1
767 1 13 TYR H 1 13 TYR HA 2.533 . 3.335 2.844 2.801 2.883 . 0 0 "[ . 1 . 2]" 1
768 1 13 TYR H 1 13 TYR HB3 2.601 . 3.447 2.316 2.251 2.412 . 0 0 "[ . 1 . 2]" 1
769 2 42 GLU HA 2 45 LEU H 2.958 . 4.051 3.194 2.986 3.449 . 0 0 "[ . 1 . 2]" 1
770 1 14 GLN HA 1 15 LYS H 3.103 . 4.306 3.557 3.544 3.568 . 0 0 "[ . 1 . 2]" 1
771 2 45 LEU H 2 45 LEU HB2 2.534 . 3.337 2.425 2.255 2.599 . 0 0 "[ . 1 . 2]" 1
772 2 45 LEU H 2 45 LEU HG 2.459 . 3.215 2.994 1.969 3.701 0.486 8 0 "[ . 1 . 2]" 1
773 1 13 TYR H 1 13 TYR QD 2.979 . 4.088 4.140 4.092 4.179 0.091 9 0 "[ . 1 . 2]" 1
774 2 44 LEU H 2 45 LEU H 2.490 . 3.265 2.590 2.269 2.870 . 0 0 "[ . 1 . 2]" 1
775 1 14 GLN H 1 15 LYS H 2.666 . 3.555 2.957 2.909 3.059 . 0 0 "[ . 1 . 2]" 1
776 1 35 ARG H 1 35 ARG QB 2.245 . 2.875 2.256 1.971 2.528 . 0 0 "[ . 1 . 2]" 1
777 1 34 ILE HB 1 35 ARG H 2.594 . 3.435 2.875 2.767 2.962 . 0 0 "[ . 1 . 2]" 1
778 1 35 ARG H 1 35 ARG HG3 3.024 . 4.167 3.264 2.138 4.276 0.109 13 0 "[ . 1 . 2]" 1
779 1 39 GLN H 1 39 GLN QB 2.230 . 2.852 2.518 2.168 2.646 . 0 0 "[ . 1 . 2]" 1
780 1 38 ARG HB2 1 39 GLN H 2.626 . 3.488 3.254 2.336 4.295 0.807 9 8 "[ **. +1 * ** *-2]" 1
781 1 39 GLN H 1 39 GLN HA 2.420 . 3.152 2.809 2.774 2.878 . 0 0 "[ . 1 . 2]" 1
782 1 38 ARG QD 1 39 GLN H 3.558 . 5.141 4.588 3.973 4.977 . 0 0 "[ . 1 . 2]" 1
783 2 45 LEU HB2 2 46 GLU H 2.692 . 3.598 2.225 2.099 2.341 . 0 0 "[ . 1 . 2]" 1
784 2 45 LEU QD 2 46 GLU H 2.984 . 4.097 3.721 3.623 3.848 . 0 0 "[ . 1 . 2]" 1
785 2 46 GLU H 2 46 GLU HA 2.272 . 2.917 2.822 2.786 2.896 . 0 0 "[ . 1 . 2]" 1
786 2 46 GLU H 2 46 GLU HB2 2.121 . 2.683 2.534 2.387 3.519 0.836 16 1 "[ . 1 .+ 2]" 1
787 2 45 LEU HB3 2 46 GLU H 2.777 . 3.741 3.044 2.790 3.382 . 0 0 "[ . 1 . 2]" 1
788 1 35 ARG H 1 37 LEU H 3.495 . 5.022 4.062 3.767 4.271 . 0 0 "[ . 1 . 2]" 1
789 1 34 ILE H 1 35 ARG H 2.806 . 3.790 2.614 2.561 2.733 . 0 0 "[ . 1 . 2]" 1
790 1 35 ARG H 1 36 VAL H 2.656 . 3.538 2.718 2.537 2.888 . 0 0 "[ . 1 . 2]" 1
791 1 38 ARG H 1 39 GLN H 2.741 . 3.680 2.686 2.539 2.920 . 0 0 "[ . 1 . 2]" 1
792 1 37 LEU H 1 39 GLN H 3.471 . 4.977 4.199 3.873 4.463 . 0 0 "[ . 1 . 2]" 1
793 1 39 GLN H 1 40 ARG H 2.639 . 3.510 2.664 2.314 2.805 . 0 0 "[ . 1 . 2]" 1
794 2 46 GLU H 2 47 SER H 2.225 . 2.844 2.645 2.460 2.781 . 0 0 "[ . 1 . 2]" 1
795 2 27 TYR H 2 27 TYR HA 2.856 . 3.876 2.815 2.793 2.841 . 0 0 "[ . 1 . 2]" 1
796 2 24 ASN HA 2 27 TYR H 3.215 . 4.507 4.164 3.946 4.385 . 0 0 "[ . 1 . 2]" 1
797 2 25 ARG HA 2 27 TYR H 3.536 . 5.099 4.638 4.404 4.865 . 0 0 "[ . 1 . 2]" 1
798 2 23 GLN HA 2 27 TYR H 2.945 . 4.029 3.509 3.191 3.829 . 0 0 "[ . 1 . 2]" 1
799 2 27 TYR H 2 27 TYR HB3 3.023 . 4.165 3.582 3.553 3.599 . 0 0 "[ . 1 . 2]" 1
800 2 27 TYR H 2 27 TYR HB2 3.082 . 4.269 2.390 2.309 2.445 . 0 0 "[ . 1 . 2]" 1
801 2 26 VAL HB 2 27 TYR H 2.681 . 3.580 2.491 2.377 2.687 . 0 0 "[ . 1 . 2]" 1
802 2 27 TYR H 2 28 LYS H 2.722 . 3.648 2.639 2.529 2.759 . 0 0 "[ . 1 . 2]" 1
803 2 25 ARG H 2 27 TYR H 3.635 . 5.287 4.161 3.879 4.343 . 0 0 "[ . 1 . 2]" 1
804 2 27 TYR H 2 27 TYR QD 2.894 . 3.941 3.001 1.928 3.394 . 0 0 "[ . 1 . 2]" 1
805 1 32 GLU QG 1 33 LYS H 2.681 . 3.579 2.276 1.767 3.607 0.028 2 0 "[ . 1 . 2]" 1
806 1 32 GLU H 1 32 GLU HA 2.469 . 3.231 2.808 2.755 2.847 . 0 0 "[ . 1 . 2]" 1
807 1 32 GLU H 1 32 GLU HB3 2.396 . 3.114 2.762 2.625 3.575 0.461 2 0 "[ . 1 . 2]" 1
808 1 31 GLU H 1 32 GLU H 2.752 . 3.699 3.001 2.882 3.147 . 0 0 "[ . 1 . 2]" 1
809 1 50 THR HA 1 51 GLU H 2.227 . 2.847 2.200 2.082 2.281 . 0 0 "[ . 1 . 2]" 1
810 1 51 GLU H 1 51 GLU HB3 2.546 . 3.357 3.280 2.628 3.914 0.557 7 1 "[ . + 1 . 2]" 1
811 2 27 TYR HA 2 30 GLU H 3.202 . 4.483 3.208 3.058 3.319 . 0 0 "[ . 1 . 2]" 1
812 2 30 GLU H 2 30 GLU HA 2.423 . 3.157 2.802 2.776 2.820 . 0 0 "[ . 1 . 2]" 1
813 2 30 GLU H 2 30 GLU HG3 2.531 . 3.332 2.816 2.132 3.636 0.304 1 0 "[ . 1 . 2]" 1
814 2 30 GLU H 2 30 GLU HB2 2.747 . 3.690 2.607 2.508 2.733 . 0 0 "[ . 1 . 2]" 1
815 1 50 THR MG 1 51 GLU H 3.262 . 4.592 3.445 2.847 4.262 . 0 0 "[ . 1 . 2]" 1
816 2 26 VAL QG 2 30 GLU H 3.068 . 4.245 3.977 3.736 4.146 . 0 0 "[ . 1 . 2]" 1
817 2 26 VAL HA 2 30 GLU H 3.321 . 4.700 4.354 4.140 4.593 . 0 0 "[ . 1 . 2]" 1
818 2 29 LYS QD 2 30 GLU H 3.483 . 4.999 4.566 3.757 4.858 . 0 0 "[ . 1 . 2]" 1
819 1 50 THR H 1 51 GLU H 2.890 . 3.934 3.794 3.419 4.109 0.175 16 0 "[ . 1 . 2]" 1
820 2 28 LYS H 2 30 GLU H 3.455 . 4.947 3.952 3.865 4.042 . 0 0 "[ . 1 . 2]" 1
821 2 27 TYR H 2 30 GLU H 3.295 . 5.000 4.717 4.548 4.839 . 0 0 "[ . 1 . 2]" 1
822 1 9 ASP HA 1 11 GLU H 3.560 . 5.144 4.968 4.709 5.191 0.047 2 0 "[ . 1 . 2]" 1
823 1 10 GLU HA 1 11 GLU H 2.780 . 3.746 3.568 3.555 3.585 . 0 0 "[ . 1 . 2]" 1
824 1 10 GLU HG2 1 11 GLU H 3.060 . 4.230 3.274 3.030 4.006 . 0 0 "[ . 1 . 2]" 1
825 1 10 GLU HB2 1 11 GLU H 2.221 . 5.000 3.695 3.568 3.785 . 0 0 "[ . 1 . 2]" 1
826 1 11 GLU H 1 12 ARG H 2.635 . 3.503 2.751 2.643 2.871 . 0 0 "[ . 1 . 2]" 1
827 1 31 GLU HA 1 34 ILE H 3.055 . 4.222 3.602 3.397 3.819 . 0 0 "[ . 1 . 2]" 1
828 1 33 LYS HB2 1 34 ILE H 2.874 . 3.906 2.853 2.411 3.774 . 0 0 "[ . 1 . 2]" 1
829 1 34 ILE H 1 34 ILE HB 2.504 . 3.288 2.473 2.372 2.526 . 0 0 "[ . 1 . 2]" 1
830 1 34 ILE H 1 34 ILE MD 2.769 . 3.727 3.291 3.168 3.392 . 0 0 "[ . 1 . 2]" 1
831 1 34 ILE H 1 34 ILE HG13 3.014 . 4.149 2.270 2.163 2.378 . 0 0 "[ . 1 . 2]" 1
832 2 21 GLU HA 2 24 ASN H 2.967 . 4.067 3.145 2.770 3.322 . 0 0 "[ . 1 . 2]" 1
833 2 19 ARG HA 2 20 VAL H 2.704 . 3.618 3.446 3.418 3.506 . 0 0 "[ . 1 . 2]" 1
834 2 20 VAL HA 2 23 GLN H 2.908 . 3.965 3.499 3.436 3.590 . 0 0 "[ . 1 . 2]" 1
835 2 22 VAL HA 2 23 GLN H 3.237 . 4.547 3.546 3.524 3.559 . 0 0 "[ . 1 . 2]" 1
836 2 24 ASN H 2 24 ASN HB3 2.795 . 3.771 2.483 2.335 2.639 . 0 0 "[ . 1 . 2]" 1
837 2 18 TYR HA 2 21 GLU H 3.416 . 4.875 3.747 3.450 4.058 . 0 0 "[ . 1 . 2]" 1
838 2 20 VAL HA 2 21 GLU H 3.344 . 4.742 3.571 3.552 3.591 . 0 0 "[ . 1 . 2]" 1
839 2 21 GLU H 2 21 GLU HB2 2.593 . 3.433 3.585 3.549 3.619 0.186 14 0 "[ . 1 . 2]" 1
840 2 20 VAL H 2 21 GLU H 2.669 . 3.560 2.627 2.509 2.738 . 0 0 "[ . 1 . 2]" 1
841 2 18 TYR H 2 18 TYR HA 2.683 . 3.583 2.806 2.750 2.862 . 0 0 "[ . 1 . 2]" 1
842 2 15 GLU HA 2 18 TYR H 3.015 . 4.151 3.633 3.355 3.921 . 0 0 "[ . 1 . 2]" 1
843 2 17 GLN HA 2 18 TYR H 2.978 . 4.086 3.484 3.445 3.550 . 0 0 "[ . 1 . 2]" 1
844 2 17 GLN HB3 2 18 TYR H 2.807 . 3.792 3.956 3.488 4.121 0.329 16 0 "[ . 1 . 2]" 1
845 2 43 ARG H 2 43 ARG HA 2.389 . 3.102 2.822 2.776 2.854 . 0 0 "[ . 1 . 2]" 1
846 2 40 LYS HA 2 43 ARG H 2.937 . 4.016 3.565 3.180 3.973 . 0 0 "[ . 1 . 2]" 1
847 2 42 GLU HG2 2 43 ARG H 3.502 . 5.035 5.035 4.955 5.113 0.078 17 0 "[ . 1 . 2]" 1
848 2 42 GLU HB2 2 43 ARG H 2.812 . 3.801 2.810 2.578 3.054 . 0 0 "[ . 1 . 2]" 1
849 2 42 GLU HG3 2 43 ARG H 2.782 . 5.000 4.387 4.237 4.536 . 0 0 "[ . 1 . 2]" 1
850 2 43 ARG H 2 43 ARG HB2 2.221 . 2.838 2.997 2.165 3.644 0.806 13 9 "[* -* **1 + *** 2]" 1
851 2 43 ARG H 2 43 ARG QG 2.854 . 3.872 2.263 1.983 3.585 . 0 0 "[ . 1 . 2]" 1
852 2 18 TYR H 2 18 TYR QD 3.135 . 4.364 4.179 4.047 4.216 . 0 0 "[ . 1 . 2]" 1
853 2 18 TYR H 2 19 ARG H 2.916 . 3.979 2.726 2.486 2.901 . 0 0 "[ . 1 . 2]" 1
854 2 42 GLU H 2 43 ARG H 2.719 . 3.643 2.760 2.622 2.923 . 0 0 "[ . 1 . 2]" 1
855 2 41 LEU H 2 43 ARG H 3.641 . 5.298 4.140 3.906 4.323 . 0 0 "[ . 1 . 2]" 1
856 1 31 GLU H 1 31 GLU HA 2.777 . 3.741 2.749 2.716 2.787 . 0 0 "[ . 1 . 2]" 1
857 1 31 GLU H 1 31 GLU HG3 2.775 . 3.738 3.701 3.507 3.850 0.112 5 0 "[ . 1 . 2]" 1
858 1 31 GLU H 1 31 GLU HB2 2.705 . 3.620 2.264 2.152 2.382 . 0 0 "[ . 1 . 2]" 1
859 1 31 GLU H 1 31 GLU HG2 2.783 . 3.751 2.662 2.369 2.880 . 0 0 "[ . 1 . 2]" 1
860 1 31 GLU H 1 31 GLU HB3 2.767 . 3.724 3.531 3.466 3.570 . 0 0 "[ . 1 . 2]" 1
861 1 31 GLU H 2 34 LEU QD 2.945 . 4.029 3.127 2.877 3.494 . 0 0 "[ . 1 . 2]" 1
862 1 30 LYS H 1 31 GLU H 2.958 . 4.052 2.622 2.459 2.867 . 0 0 "[ . 1 . 2]" 1
863 1 46 ASP HA 1 47 ALA H 2.286 . 5.000 3.417 3.190 3.503 . 0 0 "[ . 1 . 2]" 1
864 1 47 ALA H 1 47 ALA HA 2.429 . 3.166 2.851 2.728 2.948 . 0 0 "[ . 1 . 2]" 1
865 1 46 ASP HB2 1 47 ALA H 2.928 . 5.000 3.952 2.897 4.341 . 0 0 "[ . 1 . 2]" 1
866 1 46 ASP HB3 1 47 ALA H 2.910 . 3.968 3.226 2.823 4.134 0.166 18 0 "[ . 1 . 2]" 1
867 1 47 ALA H 1 47 ALA MB 2.144 . 2.719 2.260 2.214 2.394 . 0 0 "[ . 1 . 2]" 1
868 2 29 LYS H 2 29 LYS HA 2.395 . 3.112 2.813 2.790 2.841 . 0 0 "[ . 1 . 2]" 1
869 2 28 LYS HA 2 29 LYS H 2.626 . 3.488 3.517 3.497 3.528 0.040 11 0 "[ . 1 . 2]" 1
870 2 29 LYS H 2 29 LYS QB 2.130 . 2.697 2.340 2.054 2.504 . 0 0 "[ . 1 . 2]" 1
871 2 44 LEU H 2 44 LEU HG 2.395 . 5.000 4.298 3.903 4.618 . 0 0 "[ . 1 . 2]" 1
872 2 29 LYS H 2 29 LYS HG2 2.760 . 3.712 3.478 2.852 3.831 0.119 3 0 "[ . 1 . 2]" 1
873 1 28 THR HB 1 29 GLN H 2.573 . 5.000 3.563 3.013 3.810 . 0 0 "[ . 1 . 2]" 1
874 1 29 GLN H 1 29 GLN HB3 2.422 . 5.000 3.501 2.604 3.608 . 0 0 "[ . 1 . 2]" 1
875 1 29 GLN H 1 29 GLN HB2 2.591 . 3.430 2.721 2.416 3.628 0.198 19 0 "[ . 1 . 2]" 1
876 2 29 LYS H 2 30 GLU H 2.481 . 3.251 2.627 2.458 2.726 . 0 0 "[ . 1 . 2]" 1
877 2 28 LYS H 2 29 LYS H 2.662 . 3.548 2.571 2.507 2.664 . 0 0 "[ . 1 . 2]" 1
878 1 33 LYS H 1 34 ILE H 2.830 . 3.831 2.561 2.460 2.776 . 0 0 "[ . 1 . 2]" 1
879 1 29 GLN H 1 30 LYS H 2.735 . 3.670 2.704 2.486 2.819 . 0 0 "[ . 1 . 2]" 1
880 1 13 TYR HA 1 16 LEU H 3.161 . 4.410 3.475 3.299 3.693 . 0 0 "[ . 1 . 2]" 1
881 1 26 LEU H 1 26 LEU HA 2.414 . 3.142 2.802 2.776 2.831 . 0 0 "[ . 1 . 2]" 1
882 1 26 LEU H 1 26 LEU HB2 2.284 . 2.936 2.503 2.451 2.555 . 0 0 "[ . 1 . 2]" 1
883 1 26 LEU H 1 26 LEU HG 2.632 . 3.498 2.040 1.897 2.136 . 0 0 "[ . 1 . 2]" 1
884 1 25 ARG H 1 26 LEU H 2.692 . 3.598 2.511 2.408 2.588 . 0 0 "[ . 1 . 2]" 1
885 1 26 LEU H 1 27 ILE H 2.802 . 3.783 2.653 2.507 2.748 . 0 0 "[ . 1 . 2]" 1
886 1 16 LEU H 1 17 VAL H 3.024 . 4.167 2.664 2.611 2.768 . 0 0 "[ . 1 . 2]" 1
887 1 15 LYS H 1 16 LEU H 2.619 . 3.476 2.728 2.650 2.800 . 0 0 "[ . 1 . 2]" 1
888 2 35 ASP HA 2 36 ALA H 2.998 . 4.122 3.513 3.495 3.528 . 0 0 "[ . 1 . 2]" 1
889 2 37 GLU H 2 37 GLU HA 2.425 . 3.160 2.821 2.792 2.863 . 0 0 "[ . 1 . 2]" 1
890 2 33 ALA HA 2 36 ALA H 2.469 . 5.000 3.613 3.377 3.817 . 0 0 "[ . 1 . 2]" 1
891 2 36 ALA H 2 36 ALA HA 2.314 . 2.984 2.840 2.827 2.864 . 0 0 "[ . 1 . 2]" 1
892 2 35 ASP HB2 2 36 ALA H 2.762 . 5.000 4.012 3.951 4.087 . 0 0 "[ . 1 . 2]" 1
893 2 35 ASP HB3 2 36 ALA H 2.812 . 3.801 2.807 2.757 2.857 . 0 0 "[ . 1 . 2]" 1
894 2 36 ALA H 2 36 ALA MB 2.094 . 2.642 2.248 2.238 2.256 . 0 0 "[ . 1 . 2]" 1
895 1 34 ILE MG 2 37 GLU H 3.261 . 5.000 5.036 4.731 5.147 0.147 17 0 "[ . 1 . 2]" 1
896 2 35 ASP H 2 36 ALA H 2.636 . 3.505 2.635 2.530 2.725 . 0 0 "[ . 1 . 2]" 1
897 2 34 LEU H 2 36 ALA H 3.281 . 4.627 4.308 4.168 4.446 . 0 0 "[ . 1 . 2]" 1
898 2 37 GLU H 2 38 ILE H 2.786 . 3.756 2.600 2.514 2.670 . 0 0 "[ . 1 . 2]" 1
899 2 25 ARG HA 2 26 VAL H 3.303 . 4.667 3.542 3.520 3.559 . 0 0 "[ . 1 . 2]" 1
900 2 26 VAL H 2 26 VAL HB 2.529 . 3.329 2.544 2.459 2.634 . 0 0 "[ . 1 . 2]" 1
901 2 11 ASP HA 2 12 ASP H 2.694 . 3.601 3.568 3.493 3.615 0.014 9 0 "[ . 1 . 2]" 1
902 2 24 ASN H 2 26 VAL H 3.475 . 4.984 4.398 4.249 4.502 . 0 0 "[ . 1 . 2]" 1
903 2 26 VAL H 2 27 TYR H 2.920 . 3.986 2.810 2.696 2.893 . 0 0 "[ . 1 . 2]" 1
904 1 20 ASN HA 1 21 GLU H 3.405 . 4.854 3.557 3.495 3.602 . 0 0 "[ . 1 . 2]" 1
905 2 37 GLU HA 2 40 LYS H 2.809 . 3.796 2.947 2.665 3.027 . 0 0 "[ . 1 . 2]" 1
906 1 21 GLU H 1 21 GLU HA 2.531 . 3.332 2.809 2.774 2.866 . 0 0 "[ . 1 . 2]" 1
907 2 38 ILE HA 2 40 LYS H 3.666 . 5.346 4.368 4.239 4.569 . 0 0 "[ . 1 . 2]" 1
908 1 20 ASN HB3 1 21 GLU H 3.174 . 4.433 3.189 2.428 4.417 . 0 0 "[ . 1 . 2]" 1
909 1 21 GLU H 1 21 GLU HG2 2.393 . 3.109 2.015 1.877 2.229 . 0 0 "[ . 1 . 2]" 1
910 1 21 GLU H 1 21 GLU HB3 2.564 . 5.000 3.565 3.548 3.590 . 0 0 "[ . 1 . 2]" 1
911 2 40 LYS H 2 40 LYS HG3 2.892 . 5.000 4.023 3.821 4.235 . 0 0 "[ . 1 . 2]" 1
912 2 40 LYS H 2 40 LYS HA 2.416 . 3.146 2.837 2.779 2.864 . 0 0 "[ . 1 . 2]" 1
913 2 40 LYS H 2 40 LYS HB3 2.257 . 2.894 2.357 2.194 2.454 . 0 0 "[ . 1 . 2]" 1
914 2 39 ARG HB2 2 40 LYS H 2.697 . 3.606 3.670 2.510 3.991 0.385 4 0 "[ . 1 . 2]" 1
915 2 39 ARG H 2 40 LYS H 2.653 . 3.533 2.735 2.635 2.823 . 0 0 "[ . 1 . 2]" 1
916 2 40 LYS H 2 41 LEU H 2.727 . 3.657 2.586 2.485 2.682 . 0 0 "[ . 1 . 2]" 1
917 1 25 ARG H 1 25 ARG HA 2.399 . 3.118 2.830 2.810 2.850 . 0 0 "[ . 1 . 2]" 1
918 1 24 GLN HA 1 25 ARG H 3.224 . 4.523 3.488 3.445 3.525 . 0 0 "[ . 1 . 2]" 1
919 1 24 GLN HG2 1 25 ARG H 3.248 . 4.566 3.283 2.419 4.900 0.334 6 0 "[ . 1 . 2]" 1
920 1 25 ARG H 1 25 ARG HB2 2.349 . 3.039 2.998 2.899 3.102 0.063 4 0 "[ . 1 . 2]" 1
921 1 25 ARG H 1 25 ARG HB3 2.463 . 3.221 2.052 2.012 2.146 . 0 0 "[ . 1 . 2]" 1
922 1 26 LEU HA 1 27 ILE H 3.130 . 4.355 3.514 3.479 3.538 . 0 0 "[ . 1 . 2]" 1
923 1 24 GLN HA 1 27 ILE H 3.031 . 4.179 3.451 3.137 3.835 . 0 0 "[ . 1 . 2]" 1
924 1 27 ILE H 1 27 ILE HA 2.907 . 3.963 2.807 2.785 2.838 . 0 0 "[ . 1 . 2]" 1
925 1 27 ILE H 1 27 ILE HB 2.609 . 3.460 2.476 2.412 2.537 . 0 0 "[ . 1 . 2]" 1
926 1 27 ILE H 1 27 ILE HG13 2.819 . 3.812 2.152 2.059 2.288 . 0 0 "[ . 1 . 2]" 1
927 1 26 LEU QD 1 27 ILE H 2.954 . 5.000 4.059 3.991 4.122 . 0 0 "[ . 1 . 2]" 1
928 1 45 GLY HA2 1 46 ASP H 2.436 . 3.177 2.887 2.305 3.288 0.111 16 0 "[ . 1 . 2]" 1
929 1 45 GLY HA3 1 46 ASP H 2.517 . 5.000 3.444 3.186 3.540 . 0 0 "[ . 1 . 2]" 1
930 1 14 GLN HA 1 17 VAL H 2.839 . 3.847 3.597 3.495 3.674 . 0 0 "[ . 1 . 2]" 1
931 1 17 VAL H 1 17 VAL HA 2.909 . 3.967 2.823 2.803 2.837 . 0 0 "[ . 1 . 2]" 1
932 1 46 ASP H 1 46 ASP HB2 2.573 . 3.400 2.575 2.276 3.504 0.104 11 0 "[ . 1 . 2]" 1
933 1 46 ASP H 1 46 ASP HB3 2.405 . 3.128 2.672 2.236 3.541 0.413 16 0 "[ . 1 . 2]" 1
934 1 17 VAL H 1 17 VAL HB 2.476 . 5.000 3.594 3.566 3.613 . 0 0 "[ . 1 . 2]" 1
935 1 16 LEU HB3 1 17 VAL H 3.251 . 4.572 2.446 2.341 2.568 . 0 0 "[ . 1 . 2]" 1
936 1 17 VAL H 2 20 VAL QG 3.138 . 4.369 3.004 2.825 3.141 . 0 0 "[ . 1 . 2]" 1
937 1 45 GLY H 1 46 ASP H 2.438 . 3.181 2.321 1.906 3.030 . 0 0 "[ . 1 . 2]" 1
938 1 6 SER H 1 6 SER HA 2.863 . 3.887 2.922 2.903 2.942 . 0 0 "[ . 1 . 2]" 1
939 1 6 SER H 1 6 SER HB3 2.915 . 3.977 3.212 2.446 3.720 . 0 0 "[ . 1 . 2]" 1
940 1 6 SER H 1 9 ASP HB2 3.162 . 4.412 3.850 2.890 4.671 0.259 4 0 "[ . 1 . 2]" 1
941 1 6 SER H 1 9 ASP HB3 3.295 . 4.652 3.671 3.086 4.743 0.091 9 0 "[ . 1 . 2]" 1
942 1 5 ILE HB 1 6 SER H 3.163 . 4.414 4.222 3.919 4.389 . 0 0 "[ . 1 . 2]" 1
943 1 5 ILE H 1 6 SER H 3.314 . 4.687 4.423 4.152 4.621 . 0 0 "[ . 1 . 2]" 1
944 2 28 LYS HA 2 32 GLN H 3.432 . 4.904 4.494 4.234 4.874 . 0 0 "[ . 1 . 2]" 1
945 2 31 ILE HA 2 32 GLN H 3.341 . 4.737 3.524 3.493 3.553 . 0 0 "[ . 1 . 2]" 1
946 2 32 GLN H 2 32 GLN HB2 2.563 . 3.384 2.613 2.566 2.656 . 0 0 "[ . 1 . 2]" 1
947 2 32 GLN H 2 32 GLN HB3 2.654 . 3.535 3.580 3.564 3.601 0.066 12 0 "[ . 1 . 2]" 1
948 2 31 ILE HG13 2 32 GLN H 3.359 . 4.769 4.296 4.203 4.425 . 0 0 "[ . 1 . 2]" 1
949 2 31 ILE HB 2 32 GLN H 2.799 . 3.778 2.787 2.623 2.955 . 0 0 "[ . 1 . 2]" 1
950 2 31 ILE H 2 32 GLN H 2.813 . 3.802 2.764 2.696 2.843 . 0 0 "[ . 1 . 2]" 1
951 1 6 SER HA 1 8 GLU H 3.256 . 4.581 4.161 3.893 4.405 . 0 0 "[ . 1 . 2]" 1
952 1 6 SER HB2 1 8 GLU H 2.913 . 3.974 3.140 2.268 4.144 0.170 1 0 "[ . 1 . 2]" 1
953 1 8 GLU H 1 8 GLU HA 2.612 . 3.465 2.735 2.696 2.773 . 0 0 "[ . 1 . 2]" 1
954 1 7 LYS HB3 1 8 GLU H 2.846 . 3.859 3.066 2.726 3.982 0.123 2 0 "[ . 1 . 2]" 1
955 1 8 GLU H 1 10 GLU H 3.539 . 5.105 4.042 3.768 4.386 . 0 0 "[ . 1 . 2]" 1
956 1 8 GLU H 1 9 ASP H 2.899 . 3.950 3.012 2.849 3.150 . 0 0 "[ . 1 . 2]" 1
957 2 49 LEU H 2 49 LEU HA 2.457 . 3.212 2.847 2.726 2.925 . 0 0 "[ . 1 . 2]" 1
958 2 48 GLY HA2 2 49 LEU H 2.354 . 3.047 3.034 2.916 3.421 0.374 10 0 "[ . 1 . 2]" 1
959 2 49 LEU H 2 49 LEU QB 2.100 . 2.651 2.246 2.169 2.463 . 0 0 "[ . 1 . 2]" 1
960 2 49 LEU H 2 49 LEU QD 2.954 . 4.045 3.446 2.262 3.778 . 0 0 "[ . 1 . 2]" 1
961 2 48 GLY H 2 49 LEU H 2.702 . 3.615 2.294 1.997 2.654 . 0 0 "[ . 1 . 2]" 1
962 1 21 GLU HB2 1 22 GLN H 2.639 . 3.510 2.667 2.439 2.857 . 0 0 "[ . 1 . 2]" 1
963 1 22 GLN H 1 23 LEU MD2 3.548 . 5.121 3.659 3.476 3.871 . 0 0 "[ . 1 . 2]" 1
964 1 18 THR MG 1 22 GLN H 3.585 . 5.191 4.187 3.840 4.443 . 0 0 "[ . 1 . 2]" 1
965 1 22 GLN H 1 23 LEU H 2.825 . 3.823 2.873 2.732 2.926 . 0 0 "[ . 1 . 2]" 1
966 1 21 GLU H 1 22 GLN H 2.631 . 3.496 2.683 2.516 2.780 . 0 0 "[ . 1 . 2]" 1
967 2 17 GLN H 2 17 GLN HA 2.697 . 3.606 2.814 2.724 2.840 . 0 0 "[ . 1 . 2]" 1
968 2 19 ARG HB2 2 20 VAL H 2.747 . 5.000 4.144 4.038 4.259 . 0 0 "[ . 1 . 2]" 1
969 2 17 GLN H 2 17 GLN HB2 3.121 . 4.339 3.517 2.473 3.634 . 0 0 "[ . 1 . 2]" 1
970 2 19 ARG H 2 20 VAL H 2.979 . 4.088 2.510 2.382 2.632 . 0 0 "[ . 1 . 2]" 1
971 1 36 VAL HA 1 37 LEU H 3.322 . 4.701 3.515 3.472 3.539 . 0 0 "[ . 1 . 2]" 1
972 1 34 ILE HA 1 37 LEU H 3.253 . 4.576 3.105 2.974 3.247 . 0 0 "[ . 1 . 2]" 1
973 1 36 VAL HB 1 37 LEU H 2.795 . 3.771 2.600 2.430 2.885 . 0 0 "[ . 1 . 2]" 1
974 1 37 LEU H 1 37 LEU HB3 2.936 . 4.014 3.450 3.062 3.532 . 0 0 "[ . 1 . 2]" 1
975 1 37 LEU H 1 37 LEU HG 2.585 . 5.000 3.948 3.798 4.431 . 0 0 "[ . 1 . 2]" 1
976 1 36 VAL H 1 37 LEU H 2.841 . 3.850 2.546 2.396 2.676 . 0 0 "[ . 1 . 2]" 1
977 1 12 ARG HA 1 14 GLN H 3.168 . 5.000 4.748 4.460 5.051 0.051 12 0 "[ . 1 . 2]" 1
978 1 14 GLN H 1 14 GLN HA 2.727 . 3.657 2.769 2.744 2.792 . 0 0 "[ . 1 . 2]" 1
979 1 13 TYR HA 1 14 GLN H 2.892 . 3.937 3.545 3.521 3.567 . 0 0 "[ . 1 . 2]" 1
980 1 11 GLU HA 1 14 GLN H 3.057 . 4.225 3.335 3.003 3.687 . 0 0 "[ . 1 . 2]" 1
981 1 13 TYR HB2 1 14 GLN H 2.864 . 3.889 3.918 3.824 3.972 0.083 8 0 "[ . 1 . 2]" 1
982 1 13 TYR H 1 14 GLN H 2.543 . 3.351 2.607 2.480 2.779 . 0 0 "[ . 1 . 2]" 1
983 1 13 TYR QD 1 14 GLN H 3.016 . 4.153 3.441 3.195 3.586 . 0 0 "[ . 1 . 2]" 1
984 1 30 LYS H 1 30 LYS HA 2.813 . 3.802 2.836 2.772 2.875 . 0 0 "[ . 1 . 2]" 1
985 1 29 GLN HB3 1 30 LYS H 2.871 . 3.901 3.478 3.105 4.081 0.180 3 0 "[ . 1 . 2]" 1
986 1 29 GLN HB2 1 30 LYS H 2.953 . 4.043 2.365 2.064 3.939 . 0 0 "[ . 1 . 2]" 1
987 1 30 LYS H 1 30 LYS HB3 2.859 . 3.880 3.587 3.553 3.618 . 0 0 "[ . 1 . 2]" 1
988 1 30 LYS H 1 30 LYS HG2 3.030 . 4.178 2.694 1.869 3.970 0.013 8 0 "[ . 1 . 2]" 1
989 2 18 TYR HA 2 22 VAL H 3.254 . 4.578 4.498 4.200 4.681 0.103 10 0 "[ . 1 . 2]" 1
990 1 4 ALA HA 1 5 ILE H 2.204 . 5.000 3.495 3.354 3.575 . 0 0 "[ . 1 . 2]" 1
991 1 5 ILE H 1 5 ILE HA 2.592 . 3.432 2.865 2.773 2.908 . 0 0 "[ . 1 . 2]" 1
992 2 19 ARG HA 2 22 VAL H 3.084 . 4.273 3.412 3.243 3.543 . 0 0 "[ . 1 . 2]" 1
993 1 36 VAL H 1 36 VAL HB 2.454 . 3.207 2.652 2.566 2.765 . 0 0 "[ . 1 . 2]" 1
994 1 12 ARG H 1 12 ARG HB3 2.363 . 3.061 2.800 2.209 3.621 0.560 6 5 "[- .+ *1* * . 2]" 1
995 2 22 VAL H 2 22 VAL MG2 2.732 . 3.665 3.704 3.657 3.748 0.083 20 0 "[ . 1 . 2]" 1
996 1 11 GLU QG 1 12 ARG H 3.578 . 5.178 4.078 2.289 4.308 . 0 0 "[ . 1 . 2]" 1
997 1 4 ALA H 1 5 ILE H 3.231 . 4.536 2.337 2.069 2.687 . 0 0 "[ . 1 . 2]" 1
998 1 36 VAL H 1 38 ARG H 3.657 . 5.329 3.887 3.724 4.140 . 0 0 "[ . 1 . 2]" 1
999 2 33 ALA H 2 33 ALA HA 2.283 . 2.934 2.820 2.790 2.838 . 0 0 "[ . 1 . 2]" 1
1000 2 31 ILE HA 2 33 ALA H 3.658 . 5.330 4.490 4.391 4.591 . 0 0 "[ . 1 . 2]" 1
1001 2 32 GLN HB2 2 33 ALA H 2.711 . 3.629 2.454 2.257 2.547 . 0 0 "[ . 1 . 2]" 1
1002 2 32 GLN HB3 2 33 ALA H 2.777 . 3.741 3.675 3.513 3.761 0.020 5 0 "[ . 1 . 2]" 1
1003 2 33 ALA H 2 33 ALA MB 2.143 . 2.717 2.232 2.218 2.246 . 0 0 "[ . 1 . 2]" 1
1004 2 32 GLN H 2 33 ALA H 2.579 . 3.410 2.616 2.490 2.720 . 0 0 "[ . 1 . 2]" 1
1005 2 31 ILE H 2 33 ALA H 3.013 . 5.000 4.333 4.207 4.432 . 0 0 "[ . 1 . 2]" 1
1006 2 33 ALA H 2 35 ASP H 3.372 . 4.793 3.873 3.793 4.000 . 0 0 "[ . 1 . 2]" 1
1007 2 33 ALA H 2 34 LEU H 2.660 . 3.544 2.640 2.585 2.748 . 0 0 "[ . 1 . 2]" 1
1008 1 9 ASP H 1 9 ASP HA 2.798 . 3.777 2.846 2.790 2.893 . 0 0 "[ . 1 . 2]" 1
1009 1 6 SER HB2 1 9 ASP H 3.293 . 4.648 4.078 3.116 4.940 0.292 1 0 "[ . 1 . 2]" 1
1010 1 9 ASP H 1 9 ASP HB3 3.023 . 4.166 2.603 2.411 3.546 . 0 0 "[ . 1 . 2]" 1
1011 1 8 GLU HA 1 9 ASP H 3.181 . 4.446 3.566 3.550 3.581 . 0 0 "[ . 1 . 2]" 1
1012 1 9 ASP H 1 9 ASP HB2 2.965 . 4.064 2.520 2.271 2.666 . 0 0 "[ . 1 . 2]" 1
1013 1 9 ASP H 1 10 GLU H 2.894 . 3.941 2.511 2.302 2.726 . 0 0 "[ . 1 . 2]" 1
1014 1 6 SER HA 1 7 LYS H 2.754 . 3.702 2.638 2.437 2.772 . 0 0 "[ . 1 . 2]" 1
1015 1 7 LYS H 1 8 GLU H 3.337 . 4.729 2.583 2.476 2.702 . 0 0 "[ . 1 . 2]" 1
1016 1 39 GLN HA 1 42 VAL H 2.404 . 3.126 3.164 3.035 3.256 0.130 15 0 "[ . 1 . 2]" 1
1017 1 42 VAL H 1 43 GLU H 2.371 . 3.073 2.718 2.536 2.931 . 0 0 "[ . 1 . 2]" 1
1018 1 38 ARG H 1 38 ARG HB2 2.501 . 3.283 2.775 2.417 3.607 0.324 5 0 "[ . 1 . 2]" 1
1019 1 38 ARG H 1 38 ARG HG2 2.747 . 3.690 3.245 2.112 4.122 0.432 12 0 "[ . 1 . 2]" 1
1020 1 38 ARG H 1 38 ARG HB3 3.012 . 4.146 2.949 2.001 3.618 . 0 0 "[ . 1 . 2]" 1
1021 1 37 LEU HB3 1 38 ARG H 3.139 . 4.371 3.289 2.918 3.589 . 0 0 "[ . 1 . 2]" 1
1022 1 37 LEU H 1 38 ARG H 2.927 . 3.998 2.609 2.353 2.825 . 0 0 "[ . 1 . 2]" 1
1023 1 38 ARG H 1 40 ARG H 3.565 . 5.153 4.040 3.708 4.165 . 0 0 "[ . 1 . 2]" 1
1024 1 28 THR H 1 28 THR HB 2.401 . 3.121 2.137 1.996 2.282 . 0 0 "[ . 1 . 2]" 1
1025 1 27 ILE HA 1 28 THR H 3.221 . 4.518 3.551 3.532 3.581 . 0 0 "[ . 1 . 2]" 1
1026 1 27 ILE HB 1 28 THR H 2.638 . 3.508 2.272 2.218 2.322 . 0 0 "[ . 1 . 2]" 1
1027 1 27 ILE HG13 1 28 THR H 3.241 . 4.554 4.153 4.066 4.248 . 0 0 "[ . 1 . 2]" 1
1028 1 27 ILE H 1 28 THR H 2.814 . 3.804 2.754 2.656 2.841 . 0 0 "[ . 1 . 2]" 1
1029 1 28 THR H 1 29 GLN H 2.618 . 3.475 2.830 2.768 2.891 . 0 0 "[ . 1 . 2]" 1
1030 1 52 LEU HA 1 53 ASN H 2.495 . 3.273 2.974 2.074 3.488 0.215 15 0 "[ . 1 . 2]" 1
1031 1 53 ASN H 1 53 ASN HB3 3.115 . 4.328 3.322 2.359 4.104 . 0 0 "[ . 1 . 2]" 1
1032 1 52 LEU HB2 1 53 ASN H 3.219 . 4.514 3.582 1.687 4.420 0.237 15 0 "[ . 1 . 2]" 1
1033 1 52 LEU H 1 53 ASN H 2.753 . 3.700 2.674 1.846 3.893 0.193 12 0 "[ . 1 . 2]" 1
1034 2 35 ASP H 2 35 ASP HA 2.752 . 3.698 2.818 2.791 2.843 . 0 0 "[ . 1 . 2]" 1
1035 2 32 GLN HA 2 35 ASP H 2.879 . 3.915 3.316 3.150 3.459 . 0 0 "[ . 1 . 2]" 1
1036 2 35 ASP H 2 35 ASP HB2 2.599 . 3.443 2.573 2.461 2.705 . 0 0 "[ . 1 . 2]" 1
1037 2 35 ASP H 2 35 ASP HB3 2.690 . 3.594 2.487 2.366 2.614 . 0 0 "[ . 1 . 2]" 1
1038 2 34 LEU HB2 2 35 ASP H 2.822 . 3.817 2.955 2.816 3.105 . 0 0 "[ . 1 . 2]" 1
1039 2 33 ALA MB 2 35 ASP H 3.060 . 4.231 4.256 4.188 4.314 0.083 20 0 "[ . 1 . 2]" 1
1040 2 34 LEU HB3 2 35 ASP H 3.089 . 4.281 3.732 3.313 4.071 . 0 0 "[ . 1 . 2]" 1
1041 2 34 LEU QD 2 35 ASP H 2.949 . 5.000 4.102 3.901 4.261 . 0 0 "[ . 1 . 2]" 1
1042 2 34 LEU H 2 35 ASP H 2.801 . 3.781 2.645 2.553 2.755 . 0 0 "[ . 1 . 2]" 1
1043 2 15 GLU HA 2 16 LEU H 2.933 . 4.008 3.560 3.535 3.585 . 0 0 "[ . 1 . 2]" 1
1044 1 40 ARG HB3 1 41 LEU H 2.512 . 3.301 3.355 3.201 3.448 0.147 14 0 "[ . 1 . 2]" 1
1045 1 41 LEU H 1 41 LEU HG 2.197 . 2.800 2.050 1.865 2.231 . 0 0 "[ . 1 . 2]" 1
1046 1 41 LEU H 1 41 LEU HA 2.486 . 3.259 2.832 2.789 2.879 . 0 0 "[ . 1 . 2]" 1
1047 1 38 ARG HA 1 41 LEU H 2.894 . 3.941 3.184 2.913 3.529 . 0 0 "[ . 1 . 2]" 1
1048 1 41 LEU H 1 41 LEU HB2 2.473 . 3.238 2.757 2.555 2.962 . 0 0 "[ . 1 . 2]" 1
1049 1 46 ASP HA 1 49 GLY H 3.613 . 5.245 3.799 2.717 4.978 . 0 0 "[ . 1 . 2]" 1
1050 1 48 LYS HA 1 49 GLY H 2.455 . 5.000 3.440 3.202 3.569 . 0 0 "[ . 1 . 2]" 1
1051 1 49 GLY H 1 49 GLY HA3 2.310 . 2.977 2.610 2.288 2.953 . 0 0 "[ . 1 . 2]" 1
1052 1 48 LYS HB3 1 49 GLY H 3.299 . 4.660 3.467 2.379 4.168 . 0 0 "[ . 1 . 2]" 1
1053 1 48 LYS H 1 49 GLY H 2.975 . 4.081 2.371 2.070 2.657 . 0 0 "[ . 1 . 2]" 1
1054 1 49 GLY H 1 50 THR H 3.241 . 4.554 3.447 2.442 4.568 0.014 19 0 "[ . 1 . 2]" 1
1055 2 50 THR H 2 50 THR MG 2.925 . 3.994 3.709 2.005 4.007 0.013 18 0 "[ . 1 . 2]" 1
1056 2 49 LEU HA 2 50 THR H 2.136 . 5.000 3.534 3.429 3.581 . 0 0 "[ . 1 . 2]" 1
1057 2 49 LEU QD 2 50 THR H 2.924 . 3.993 3.562 2.979 3.819 . 0 0 "[ . 1 . 2]" 1
1058 1 43 GLU HA 1 44 ARG H 2.623 . 3.483 3.463 3.359 3.530 0.047 16 0 "[ . 1 . 2]" 1
1059 1 43 GLU HG3 1 44 ARG H 3.424 . 4.890 4.293 4.079 4.585 . 0 0 "[ . 1 . 2]" 1
1060 1 44 ARG H 1 44 ARG QB 2.448 . 3.125 2.416 2.302 2.571 . 0 0 "[ . 1 . 2]" 1
1061 1 44 ARG H 1 44 ARG HA 2.349 . 3.039 2.877 2.807 2.937 . 0 0 "[ . 1 . 2]" 1
1062 2 49 LEU H 2 50 THR H 2.654 . 3.534 2.592 2.194 3.131 . 0 0 "[ . 1 . 2]" 1
1063 1 43 GLU H 1 44 ARG H 2.567 . 3.391 2.548 2.453 2.641 . 0 0 "[ . 1 . 2]" 1
1064 2 11 ASP HA 2 14 ARG H 3.633 . 5.283 3.737 3.013 4.324 . 0 0 "[ . 1 . 2]" 1
1065 2 14 ARG H 2 14 ARG HA 2.597 . 3.440 2.851 2.728 2.909 . 0 0 "[ . 1 . 2]" 1
1066 1 37 LEU HA 1 40 ARG H 2.967 . 4.067 3.211 2.912 3.410 . 0 0 "[ . 1 . 2]" 1
1067 1 40 ARG H 1 40 ARG HD2 3.452 . 4.941 3.474 2.127 4.893 . 0 0 "[ . 1 . 2]" 1
1068 1 40 ARG H 1 40 ARG HD3 3.488 . 5.009 4.045 3.071 4.819 . 0 0 "[ . 1 . 2]" 1
1069 1 39 GLN HG3 1 40 ARG H 3.342 . 4.738 4.615 2.177 4.852 0.114 2 0 "[ . 1 . 2]" 1
1070 2 14 ARG H 2 15 GLU H 2.733 . 3.667 2.544 2.388 2.931 . 0 0 "[ . 1 . 2]" 1
1071 1 40 ARG H 1 41 LEU H 2.621 . 3.480 2.660 2.573 2.760 . 0 0 "[ . 1 . 2]" 1
1072 1 46 ASP HA 1 48 LYS H 3.121 . 4.339 3.677 3.084 4.360 0.021 19 0 "[ . 1 . 2]" 1
1073 1 48 LYS H 1 48 LYS HB2 2.380 . 3.088 2.490 2.247 2.860 . 0 0 "[ . 1 . 2]" 1
1074 1 47 ALA MB 1 48 LYS H 2.579 . 3.410 3.072 2.493 3.462 0.052 7 0 "[ . 1 . 2]" 1
1075 2 41 LEU H 2 41 LEU HA 2.733 . 3.666 2.809 2.790 2.835 . 0 0 "[ . 1 . 2]" 1
1076 2 38 ILE HA 2 41 LEU H 3.313 . 4.685 3.170 3.005 3.353 . 0 0 "[ . 1 . 2]" 1
1077 2 40 LYS HD2 2 41 LEU H 3.425 . 4.891 4.187 3.996 4.387 . 0 0 "[ . 1 . 2]" 1
1078 2 37 GLU HA 2 41 LEU H 3.422 . 4.886 4.282 3.971 4.494 . 0 0 "[ . 1 . 2]" 1
1079 2 40 LYS HB2 2 41 LEU H 2.401 . 5.000 3.990 3.808 4.089 . 0 0 "[ . 1 . 2]" 1
1080 2 41 LEU H 2 41 LEU HB2 2.946 . 4.031 2.383 2.318 2.427 . 0 0 "[ . 1 . 2]" 1
1081 2 41 LEU H 2 41 LEU HG 2.852 . 3.869 2.430 2.343 2.521 . 0 0 "[ . 1 . 2]" 1
1082 1 47 ALA H 1 48 LYS H 2.725 . 3.653 2.591 2.129 2.948 . 0 0 "[ . 1 . 2]" 1
1083 2 39 ARG H 2 41 LEU H 3.344 . 4.742 3.955 3.889 4.053 . 0 0 "[ . 1 . 2]" 1
1084 2 31 ILE HA 2 34 LEU H 3.196 . 4.473 3.263 3.149 3.381 . 0 0 "[ . 1 . 2]" 1
1085 2 32 GLN H 2 34 LEU H 3.572 . 5.167 3.929 3.798 4.021 . 0 0 "[ . 1 . 2]" 1
1086 2 39 ARG HA 2 42 GLU H 2.946 . 4.031 3.300 3.104 3.667 . 0 0 "[ . 1 . 2]" 1
1087 2 41 LEU HA 2 42 GLU H 3.114 . 4.326 3.559 3.522 3.586 . 0 0 "[ . 1 . 2]" 1
1088 2 42 GLU H 2 42 GLU HA 2.726 . 3.655 2.785 2.749 2.829 . 0 0 "[ . 1 . 2]" 1
1089 2 38 ILE HA 2 42 GLU H 3.518 . 5.065 3.910 3.728 4.119 . 0 0 "[ . 1 . 2]" 1
1090 2 42 GLU H 2 42 GLU HG3 2.624 . 3.485 2.196 2.095 2.306 . 0 0 "[ . 1 . 2]" 1
1091 2 42 GLU H 2 42 GLU HB3 2.737 . 3.673 3.603 3.586 3.626 . 0 0 "[ . 1 . 2]" 1
1092 2 41 LEU HB2 2 42 GLU H 3.189 . 4.460 2.492 2.185 2.775 . 0 0 "[ . 1 . 2]" 1
1093 2 41 LEU HG 2 42 GLU H 2.862 . 5.000 4.432 4.321 4.540 . 0 0 "[ . 1 . 2]" 1
1094 2 41 LEU MD2 2 42 GLU H 2.857 . 5.000 4.619 4.507 4.670 . 0 0 "[ . 1 . 2]" 1
1095 2 41 LEU H 2 42 GLU H 2.957 . 4.050 2.726 2.601 2.864 . 0 0 "[ . 1 . 2]" 1
1096 2 40 LYS H 2 42 GLU H 3.596 . 5.212 4.201 3.932 4.573 . 0 0 "[ . 1 . 2]" 1
1097 2 19 ARG H 2 19 ARG HB2 2.906 . 3.961 3.640 3.598 3.669 . 0 0 "[ . 1 . 2]" 1
1098 2 18 TYR HA 2 19 ARG H 3.399 . 4.843 3.553 3.479 3.575 . 0 0 "[ . 1 . 2]" 1
1099 2 16 LEU HA 2 19 ARG H 3.503 . 5.037 3.452 3.210 3.722 . 0 0 "[ . 1 . 2]" 1
1100 1 19 GLU HA 1 20 ASN H 3.007 . 4.137 3.513 3.466 3.567 . 0 0 "[ . 1 . 2]" 1
1101 1 17 VAL HA 1 20 ASN H 3.141 . 4.375 3.351 3.183 3.675 . 0 0 "[ . 1 . 2]" 1
1102 1 20 ASN H 1 20 ASN HB2 2.882 . 3.920 2.688 2.161 3.697 . 0 0 "[ . 1 . 2]" 1
1103 1 20 ASN H 1 20 ASN HB3 2.971 . 4.074 2.907 2.484 3.555 . 0 0 "[ . 1 . 2]" 1
1104 1 19 GLU HB3 1 20 ASN H 2.750 . 3.695 3.594 3.515 3.732 0.037 10 0 "[ . 1 . 2]" 1
1105 1 17 VAL MG2 1 20 ASN H 3.476 . 4.986 4.793 4.615 4.965 . 0 0 "[ . 1 . 2]" 1
1106 1 20 ASN H 1 20 ASN HD21 3.285 . 4.634 3.417 2.237 4.660 0.026 5 0 "[ . 1 . 2]" 1
1107 1 20 ASN H 1 21 GLU H 3.024 . 4.167 2.677 2.423 2.901 . 0 0 "[ . 1 . 2]" 1
1108 2 35 ASP HA 2 39 ARG H 3.060 . 5.000 4.676 4.503 4.799 . 0 0 "[ . 1 . 2]" 1
1109 2 39 ARG H 2 39 ARG HA 2.455 . 3.208 2.808 2.784 2.830 . 0 0 "[ . 1 . 2]" 1
1110 2 38 ILE HA 2 39 ARG H 3.238 . 4.548 3.506 3.479 3.532 . 0 0 "[ . 1 . 2]" 1
1111 2 39 ARG H 2 39 ARG HD3 3.537 . 5.101 5.021 3.044 5.933 0.832 10 6 "[ . - *+ * . * *]" 1
1112 1 24 GLN H 1 24 GLN QB 2.250 . 2.883 2.461 2.253 2.577 . 0 0 "[ . 1 . 2]" 1
1113 2 39 ARG H 2 39 ARG HB2 2.466 . 3.226 2.527 2.400 2.691 . 0 0 "[ . 1 . 2]" 1
1114 2 39 ARG H 2 39 ARG HG2 2.910 . 5.000 4.195 2.005 4.671 . 0 0 "[ . 1 . 2]" 1
1115 1 23 LEU HB3 1 24 GLN H 3.185 . 4.453 4.070 3.959 4.169 . 0 0 "[ . 1 . 2]" 1
1116 1 24 GLN H 1 25 ARG H 2.822 . 3.817 2.603 2.467 2.885 . 0 0 "[ . 1 . 2]" 1
1117 2 39 ARG H 2 42 GLU H 3.464 . 4.964 4.563 4.489 4.708 . 0 0 "[ . 1 . 2]" 1
1118 1 23 LEU H 1 24 GLN H 2.977 . 4.085 2.514 2.447 2.567 . 0 0 "[ . 1 . 2]" 1
1119 2 38 ILE H 2 39 ARG H 2.928 . 4.000 2.746 2.681 2.801 . 0 0 "[ . 1 . 2]" 1
1120 1 44 ARG HA 1 45 GLY H 2.651 . 3.530 3.456 3.400 3.513 . 0 0 "[ . 1 . 2]" 1
1121 1 45 GLY H 1 45 GLY HA2 2.223 . 2.841 2.369 2.299 2.521 . 0 0 "[ . 1 . 2]" 1
1122 1 45 GLY H 1 45 GLY HA3 2.268 . 2.911 2.920 2.869 2.952 0.041 9 0 "[ . 1 . 2]" 1
1123 1 42 VAL HA 1 45 GLY H 2.975 . 4.081 3.344 3.095 3.518 . 0 0 "[ . 1 . 2]" 1
1124 1 44 ARG QB 1 45 GLY H 2.873 . 3.905 2.924 2.545 3.428 . 0 0 "[ . 1 . 2]" 1
1125 1 44 ARG QG 1 45 GLY H 3.107 . 4.314 3.630 2.308 4.144 . 0 0 "[ . 1 . 2]" 1
1126 1 44 ARG H 1 45 GLY H 2.523 . 3.318 2.328 2.018 2.651 . 0 0 "[ . 1 . 2]" 1
1127 2 35 ASP HA 2 38 ILE H 3.070 . 4.248 2.930 2.816 3.056 . 0 0 "[ . 1 . 2]" 1
1128 2 37 GLU HA 2 38 ILE H 3.431 . 4.902 3.514 3.504 3.528 . 0 0 "[ . 1 . 2]" 1
1129 2 34 LEU HA 2 38 ILE H 3.346 . 4.745 4.205 4.056 4.316 . 0 0 "[ . 1 . 2]" 1
1130 2 37 GLU QG 2 38 ILE H 3.608 . 5.236 4.651 4.194 4.688 . 0 0 "[ . 1 . 2]" 1
1131 2 37 GLU HB2 2 38 ILE H 2.929 . 4.001 3.003 2.969 3.046 . 0 0 "[ . 1 . 2]" 1
1132 2 38 ILE H 2 38 ILE HB 2.517 . 3.309 2.186 2.156 2.203 . 0 0 "[ . 1 . 2]" 1
1133 2 38 ILE H 2 38 ILE HG13 3.044 . 4.203 4.094 4.041 4.187 . 0 0 "[ . 1 . 2]" 1
1134 1 34 ILE HG12 2 38 ILE H 3.290 . 4.643 4.624 4.437 4.705 0.062 12 0 "[ . 1 . 2]" 1
1135 2 27 TYR HA 2 28 LYS H 3.419 . 4.880 3.501 3.460 3.546 . 0 0 "[ . 1 . 2]" 1
1136 2 28 LYS H 2 28 LYS HA 2.636 . 3.505 2.831 2.809 2.851 . 0 0 "[ . 1 . 2]" 1
1137 2 26 VAL HA 2 28 LYS H 3.398 . 4.841 4.236 4.085 4.416 . 0 0 "[ . 1 . 2]" 1
1138 2 27 TYR HB3 2 28 LYS H 3.136 . 4.365 3.708 3.509 3.879 . 0 0 "[ . 1 . 2]" 1
1139 2 27 TYR HB2 2 28 LYS H 3.300 . 4.661 2.877 2.708 3.023 . 0 0 "[ . 1 . 2]" 1
1140 2 28 LYS H 2 28 LYS HB2 2.501 . 3.283 2.503 2.210 2.746 . 0 0 "[ . 1 . 2]" 1
1141 1 23 LEU HG 2 28 LYS H 3.304 . 4.668 4.023 3.680 4.220 . 0 0 "[ . 1 . 2]" 1
1142 2 27 TYR QD 2 28 LYS H 3.399 . 4.843 4.522 4.224 4.635 . 0 0 "[ . 1 . 2]" 1
1143 1 9 ASP HA 1 12 ARG H 3.213 . 4.503 3.628 3.229 4.122 . 0 0 "[ . 1 . 2]" 1
1144 2 15 GLU H 2 15 GLU HA 2.759 . 3.710 2.819 2.769 2.866 . 0 0 "[ . 1 . 2]" 1
1145 2 14 ARG HA 2 15 GLU H 2.610 . 5.000 3.525 3.503 3.550 . 0 0 "[ . 1 . 2]" 1
1146 1 50 THR H 1 50 THR HB 3.135 . 4.364 2.937 2.584 3.542 . 0 0 "[ . 1 . 2]" 1
1147 1 49 GLY HA3 1 50 THR H 2.459 . 3.215 2.868 2.137 3.546 0.331 18 0 "[ . 1 . 2]" 1
1148 1 50 THR H 1 50 THR MG 2.907 . 3.963 3.718 2.271 3.998 0.035 8 0 "[ . 1 . 2]" 1
1149 1 20 ASN HA 1 23 LEU H 3.303 . 4.667 3.929 3.516 4.364 . 0 0 "[ . 1 . 2]" 1
1150 1 23 LEU H 1 23 LEU HA 2.930 . 4.003 2.861 2.849 2.869 . 0 0 "[ . 1 . 2]" 1
1151 1 23 LEU H 1 23 LEU HB2 2.637 . 3.506 3.603 3.561 3.638 0.132 17 0 "[ . 1 . 2]" 1
1152 1 23 LEU H 1 26 LEU QD 3.381 . 4.810 3.811 3.698 3.945 . 0 0 "[ . 1 . 2]" 1
1153 1 23 LEU H 1 23 LEU MD1 2.998 . 4.122 3.721 3.606 3.816 . 0 0 "[ . 1 . 2]" 1
1154 2 17 GLN HE21 2 17 GLN HG2 3.218 . 4.513 2.974 2.201 3.505 . 0 0 "[ . 1 . 2]" 1
1155 2 17 GLN HB2 2 17 GLN HE21 3.351 . 4.754 3.179 1.697 4.443 0.251 8 0 "[ . 1 . 2]" 1
1156 1 29 GLN HE21 1 29 GLN HG2 3.127 . 4.350 2.565 2.211 3.507 . 0 0 "[ . 1 . 2]" 1
1157 1 29 GLN HE21 1 29 GLN HG3 3.224 . 4.523 3.163 2.254 3.514 . 0 0 "[ . 1 . 2]" 1
1158 1 29 GLN HA 1 29 GLN HE21 3.576 . 5.175 3.449 1.585 4.915 0.392 15 0 "[ . 1 . 2]" 1
1159 1 22 GLN HE21 1 22 GLN HG2 3.197 . 4.474 2.714 2.219 3.498 . 0 0 "[ . 1 . 2]" 1
1160 1 22 GLN HE21 1 22 GLN HG3 3.278 . 4.621 2.788 2.204 3.474 . 0 0 "[ . 1 . 2]" 1
1161 1 22 GLN HE22 1 22 GLN HG2 3.439 . 4.918 3.701 3.474 4.064 . 0 0 "[ . 1 . 2]" 1
1162 1 22 GLN HE22 1 22 GLN HG3 3.569 . 5.162 3.728 3.469 4.054 . 0 0 "[ . 1 . 2]" 1
1163 1 24 GLN HE22 1 24 GLN HG2 2.981 . 4.092 3.752 3.481 4.056 . 0 0 "[ . 1 . 2]" 1
1164 1 24 GLN QB 1 24 GLN HE22 3.212 . 4.502 3.486 3.168 4.016 . 0 0 "[ . 1 . 2]" 1
1165 1 24 GLN QB 1 24 GLN HE21 3.005 . 4.134 2.472 1.749 3.698 0.127 16 0 "[ . 1 . 2]" 1
1166 1 21 GLU HA 1 24 GLN HE21 3.303 . 4.667 2.980 1.828 4.692 0.111 4 0 "[ . 1 . 2]" 1
1167 2 32 GLN HE21 2 32 GLN HG2 2.747 . 3.690 2.771 2.183 3.475 . 0 0 "[ . 1 . 2]" 1
1168 2 32 GLN HE21 2 32 GLN HG3 3.312 . 4.683 3.204 2.256 3.501 . 0 0 "[ . 1 . 2]" 1
1169 1 39 GLN HE21 1 39 GLN HG3 2.606 . 3.455 3.020 2.271 3.493 0.038 12 0 "[ . 1 . 2]" 1
1170 1 39 GLN HE22 1 39 GLN HG3 2.869 . 3.898 3.834 3.506 4.061 0.163 12 0 "[ . 1 . 2]" 1
1171 2 23 GLN HA 2 23 GLN HE22 3.380 . 4.808 3.082 3.021 3.143 . 0 0 "[ . 1 . 2]" 1
1172 1 39 GLN HA 1 39 GLN HE22 3.604 . 5.228 3.580 3.258 4.814 . 0 0 "[ . 1 . 2]" 1
1173 1 39 GLN HA 1 39 GLN HE21 3.332 . 4.720 2.894 1.839 4.060 0.105 1 0 "[ . 1 . 2]" 1
1174 1 14 GLN HE21 1 14 GLN QG 2.823 . 3.044 2.404 2.153 2.841 . 0 0 "[ . 1 . 2]" 1
1175 1 39 GLN HE22 1 42 VAL MG2 3.607 . 5.234 3.370 2.760 4.838 . 0 0 "[ . 1 . 2]" 1
1176 1 39 GLN HE22 1 42 VAL MG1 3.256 . 4.581 4.442 3.814 4.649 0.068 14 0 "[ . 1 . 2]" 1
1177 2 32 GLN HA 2 32 GLN HE22 3.741 . 5.490 5.543 5.388 5.664 0.174 18 0 "[ . 1 . 2]" 1
1178 2 32 GLN HA 2 32 GLN HE21 3.692 . 5.396 4.246 3.894 5.099 . 0 0 "[ . 1 . 2]" 1
1179 2 32 GLN HB3 2 32 GLN HE21 3.423 . 4.888 2.647 1.736 3.993 0.222 14 0 "[ . 1 . 2]" 1
1180 2 17 GLN HE22 2 17 GLN HG2 3.465 . 4.966 3.820 3.464 4.074 . 0 0 "[ . 1 . 2]" 1
1181 2 17 GLN HE22 2 17 GLN HG3 3.496 . 5.024 3.778 3.473 4.070 . 0 0 "[ . 1 . 2]" 1
1182 2 23 GLN HA 2 23 GLN HE21 3.428 . 4.897 2.288 2.098 2.507 . 0 0 "[ . 1 . 2]" 1
1183 1 9 ASP HB3 1 10 GLU H 3.092 . 4.287 2.801 2.553 3.681 . 0 0 "[ . 1 . 2]" 1
1184 2 42 GLU H 2 42 GLU HB2 2.738 . 3.675 2.535 2.471 2.608 . 0 0 "[ . 1 . 2]" 1
1185 2 12 ASP H 2 12 ASP QB 2.804 . 3.787 2.310 2.125 2.563 . 0 0 "[ . 1 . 2]" 1
1186 1 20 ASN HD21 2 23 GLN HB2 3.667 . 5.348 4.062 2.980 4.774 . 0 0 "[ . 1 . 2]" 1
1187 1 20 ASN HB2 1 20 ASN HD21 3.453 . 4.943 2.786 2.176 3.434 . 0 0 "[ . 1 . 2]" 1
1188 1 20 ASN HB2 1 20 ASN HD22 3.582 . 5.186 3.712 3.444 4.025 . 0 0 "[ . 1 . 2]" 1
1189 1 20 ASN HB3 1 20 ASN HD22 3.765 . 5.536 3.681 3.459 4.074 . 0 0 "[ . 1 . 2]" 1
1190 1 20 ASN HD22 2 20 VAL HB 3.689 . 5.390 5.039 4.139 5.597 0.207 19 0 "[ . 1 . 2]" 1
1191 1 20 ASN HD22 2 23 GLN HB2 3.601 . 5.221 3.416 1.966 5.052 0.015 9 0 "[ . 1 . 2]" 1
1192 1 20 ASN HD22 2 23 GLN HB3 3.739 . 5.486 3.888 2.577 5.362 . 0 0 "[ . 1 . 2]" 1
1193 1 30 LYS H 1 30 LYS HG3 2.912 . 3.972 3.004 1.918 3.779 . 0 0 "[ . 1 . 2]" 1
1194 1 30 LYS H 1 30 LYS HB2 2.890 . 3.934 2.577 2.291 2.859 . 0 0 "[ . 1 . 2]" 1
1195 1 27 ILE HA 1 30 LYS H 3.443 . 4.925 3.777 3.566 3.889 . 0 0 "[ . 1 . 2]" 1
1196 2 19 ARG QG 2 20 VAL H 2.877 . 3.911 2.608 2.356 2.784 . 0 0 "[ . 1 . 2]" 1
1197 2 21 GLU H 2 21 GLU HB3 2.878 . 3.913 2.938 2.745 3.004 . 0 0 "[ . 1 . 2]" 1
1198 1 24 GLN HE21 2 27 TYR QE 3.018 . 4.157 3.046 1.966 4.262 0.105 13 0 "[ . 1 . 2]" 1
1199 1 13 TYR QD 2 17 GLN H 3.549 . 5.124 4.913 4.317 5.200 0.076 20 0 "[ . 1 . 2]" 1
1200 1 13 TYR QE 2 17 GLN H 3.598 . 5.216 5.017 4.552 5.279 0.063 9 0 "[ . 1 . 2]" 1
1201 2 27 TYR H 2 27 TYR QE 3.601 . 5.222 4.658 4.210 4.885 . 0 0 "[ . 1 . 2]" 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 212
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 1200.420
_Distance_constraint_stats_list.Viol_max 0.844
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.1068
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.093 0.093 13 0 "[ . 1 . 2]"
1 7 LYS 1.563 0.135 2 0 "[ . 1 . 2]"
1 8 GLU 0.093 0.093 13 0 "[ . 1 . 2]"
1 10 GLU 3.065 0.202 20 0 "[ . 1 . 2]"
1 11 GLU 1.160 0.109 15 0 "[ . 1 . 2]"
1 12 ARG 1.353 0.202 20 0 "[ . 1 . 2]"
1 13 TYR 1.317 0.202 20 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 6.536 0.325 14 0 "[ . 1 . 2]"
1 16 LEU 11.349 0.844 8 5 "[* -. + 1 *. *2]"
1 17 VAL 4.169 0.322 6 0 "[ . 1 . 2]"
1 18 THR 5.389 0.844 8 5 "[* -. + 1 *. *2]"
1 19 GLU 10.043 0.844 8 5 "[* -. + 1 *. *2]"
1 21 GLU 0.598 0.150 4 0 "[ . 1 . 2]"
1 22 GLN 4.906 0.338 9 0 "[ . 1 . 2]"
1 23 LEU 5.182 0.338 9 0 "[ . 1 . 2]"
1 24 GLN 0.632 0.201 13 0 "[ . 1 . 2]"
1 25 ARG 0.777 0.276 4 0 "[ . 1 . 2]"
1 26 LEU 0.496 0.126 9 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.777 0.276 4 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 5.615 0.261 5 0 "[ . 1 . 2]"
1 35 ARG 1.826 0.155 19 0 "[ . 1 . 2]"
1 36 VAL 1.854 0.155 19 0 "[ . 1 . 2]"
1 37 LEU 2.043 0.167 19 0 "[ . 1 . 2]"
1 38 ARG 0.598 0.114 1 0 "[ . 1 . 2]"
1 39 GLN 3.825 0.253 12 0 "[ . 1 . 2]"
1 40 ARG 0.036 0.036 18 0 "[ . 1 . 2]"
1 41 LEU 0.151 0.067 6 0 "[ . 1 . 2]"
1 42 VAL 5.190 0.246 15 0 "[ . 1 . 2]"
1 43 GLU 2.245 0.246 15 0 "[ . 1 . 2]"
1 44 ARG 0.172 0.067 6 0 "[ . 1 . 2]"
1 45 GLY 2.188 0.246 15 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 7.780 0.262 1 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 3.439 0.356 5 0 "[ . 1 . 2]"
1 52 LEU 1.595 0.356 5 0 "[ . 1 . 2]"
2 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ARG 2.981 0.662 10 1 "[ . + . 2]"
2 15 GLU 4.898 0.662 10 1 "[ . + . 2]"
2 16 LEU 1.109 0.145 5 0 "[ . 1 . 2]"
2 17 GLN 3.572 0.322 6 0 "[ . 1 . 2]"
2 18 TYR 2.981 0.662 10 1 "[ . + . 2]"
2 20 VAL 4.095 0.205 18 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 GLN 2.986 0.205 18 0 "[ . 1 . 2]"
2 24 ASN 3.629 0.283 12 0 "[ . 1 . 2]"
2 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 VAL 0.118 0.073 7 0 "[ . 1 . 2]"
2 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LYS 1.837 0.135 2 0 "[ . 1 . 2]"
2 30 GLU 4.771 0.338 9 0 "[ . 1 . 2]"
2 31 ILE 1.552 0.167 19 0 "[ . 1 . 2]"
2 32 GLN 0.007 0.006 16 0 "[ . 1 . 2]"
2 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LEU 1.545 0.167 19 0 "[ . 1 . 2]"
2 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ALA 0.063 0.035 5 0 "[ . 1 . 2]"
2 37 GLU 0.070 0.035 5 0 "[ . 1 . 2]"
2 38 ILE 0.063 0.035 5 0 "[ . 1 . 2]"
2 40 LYS 4.621 0.261 5 0 "[ . 1 . 2]"
2 41 LEU 1.700 0.391 16 0 "[ . 1 . 2]"
2 42 GLU 3.125 0.391 16 0 "[ . 1 . 2]"
2 43 ARG 0.020 0.020 7 0 "[ . 1 . 2]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 LEU 3.466 0.391 16 0 "[ . 1 . 2]"
2 46 GLU 3.391 0.391 16 0 "[ . 1 . 2]"
2 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 THR 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 2 45 LEU H 2 45 LEU HG 2.691 . 3.596 2.847 1.967 3.518 . 0 0 "[ . 1 . 2]" 2
2 1 41 LEU H 1 41 LEU HB2 2.504 . 3.288 2.521 2.387 2.736 . 0 0 "[ . 1 . 2]" 2
3 2 16 LEU H 2 16 LEU QB 2.342 . 3.027 2.212 2.130 2.269 . 0 0 "[ . 1 . 2]" 2
4 1 16 LEU H 1 19 GLU HG3 2.914 . 3.975 4.215 3.995 4.819 0.844 8 5 "[* -. + 1 *. *2]" 2
5 1 10 GLU QG 1 11 GLU H 2.311 . 2.979 3.025 2.883 3.088 0.109 15 0 "[ . 1 . 2]" 2
6 2 9 VAL HB 2 10 VAL H 2.844 . 3.855 2.493 2.198 2.647 . 0 0 "[ . 1 . 2]" 2
7 2 37 GLU QB 2 41 LEU H 2.872 . 5.000 4.426 4.099 4.599 . 0 0 "[ . 1 . 2]" 2
8 1 10 GLU H 1 10 GLU HB3 2.076 . 2.615 2.053 1.961 2.117 . 0 0 "[ . 1 . 2]" 2
9 1 43 GLU H 1 43 GLU HB2 2.219 . 2.835 2.107 2.027 2.160 . 0 0 "[ . 1 . 2]" 2
10 1 15 LYS H 1 15 LYS QD 2.725 . 3.653 3.508 3.314 3.686 0.033 19 0 "[ . 1 . 2]" 2
11 1 21 GLU H 1 21 GLU HB3 2.398 . 3.117 2.786 2.442 3.118 0.001 15 0 "[ . 1 . 2]" 2
12 1 25 ARG HG2 1 26 LEU H 2.602 . 3.448 2.135 1.932 2.749 . 0 0 "[ . 1 . 2]" 2
13 1 26 LEU H 1 26 LEU HG 2.275 . 2.922 1.820 1.675 1.926 . 0 0 "[ . 1 . 2]" 2
14 1 40 ARG H 1 42 VAL MG2 2.803 . 5.000 4.168 3.640 4.459 . 0 0 "[ . 1 . 2]" 2
15 1 35 ARG H 1 36 VAL QG 2.522 . 3.317 3.408 3.323 3.472 0.155 19 0 "[ . 1 . 2]" 2
16 2 33 ALA H 2 33 ALA MB 1.830 . 2.249 1.920 1.897 1.936 . 0 0 "[ . 1 . 2]" 2
17 2 23 GLN HA 2 23 GLN HG2 2.228 . 2.849 2.393 2.149 2.540 . 0 0 "[ . 1 . 2]" 2
18 2 31 ILE HA 2 31 ILE HG12 2.323 . 2.998 2.172 2.153 2.182 . 0 0 "[ . 1 . 2]" 2
19 1 24 GLN QB 1 25 ARG H 2.744 . 3.685 3.187 2.371 3.558 . 0 0 "[ . 1 . 2]" 2
20 1 17 VAL HA 1 18 THR H 2.888 . 3.931 3.131 3.104 3.142 . 0 0 "[ . 1 . 2]" 2
21 1 17 VAL HA 1 17 VAL MG2 2.203 . 2.809 2.536 2.468 2.579 . 0 0 "[ . 1 . 2]" 2
22 1 17 VAL HA 1 17 VAL HB 2.372 . 3.075 2.038 2.020 2.063 . 0 0 "[ . 1 . 2]" 2
23 2 38 ILE HA 2 38 ILE HB 2.518 . 3.311 2.795 2.774 2.811 . 0 0 "[ . 1 . 2]" 2
24 2 18 TYR QB 2 18 TYR QD 2.473 . 3.237 2.137 2.134 2.142 . 0 0 "[ . 1 . 2]" 2
25 1 17 VAL HB 1 17 VAL MG2 2.161 . 2.745 1.890 1.887 1.892 . 0 0 "[ . 1 . 2]" 2
26 1 39 GLN HA 1 42 VAL MG1 2.180 . 5.000 3.105 3.060 3.207 . 0 0 "[ . 1 . 2]" 2
27 2 23 GLN HE21 2 26 VAL QG 2.644 . 3.518 2.716 2.390 2.930 . 0 0 "[ . 1 . 2]" 2
28 1 14 GLN QB 1 17 VAL MG2 2.620 . 5.000 3.789 3.581 3.994 . 0 0 "[ . 1 . 2]" 2
29 1 17 VAL MG2 1 21 GLU HB2 2.552 . 3.366 3.366 3.158 3.516 0.150 4 0 "[ . 1 . 2]" 2
30 1 13 TYR HA 1 17 VAL MG1 2.879 . 3.915 3.749 3.583 3.856 . 0 0 "[ . 1 . 2]" 2
31 1 15 LYS HA 1 17 VAL MG1 2.858 . 3.879 4.058 3.969 4.201 0.322 6 0 "[ . 1 . 2]" 2
32 1 25 ARG HA 1 25 ARG HB2 2.181 . 2.776 2.016 1.877 2.155 . 0 0 "[ . 1 . 2]" 2
33 1 51 GLU HB3 1 51 GLU QG 1.834 . 2.254 2.276 2.152 2.376 0.122 9 0 "[ . 1 . 2]" 2
34 1 41 LEU HB3 1 44 ARG QB 2.072 . 5.000 2.875 2.857 2.892 . 0 0 "[ . 1 . 2]" 2
35 1 19 GLU HB3 1 19 GLU HG2 1.934 . 2.402 2.438 2.206 2.679 0.277 8 0 "[ . 1 . 2]" 2
36 1 51 GLU HB2 1 51 GLU QG 1.847 . 2.274 2.282 2.156 2.360 0.086 6 0 "[ . 1 . 2]" 2
37 1 8 GLU HA 1 8 GLU HG2 2.360 . 3.056 2.419 2.247 2.703 . 0 0 "[ . 1 . 2]" 2
38 1 21 GLU HB2 1 21 GLU HG3 2.289 . 2.944 2.216 2.168 2.249 . 0 0 "[ . 1 . 2]" 2
39 1 21 GLU HB3 1 21 GLU HG3 2.088 . 2.633 2.355 2.196 2.467 . 0 0 "[ . 1 . 2]" 2
40 1 23 LEU MD2 1 24 GLN QB 2.637 . 3.506 3.198 2.855 3.707 0.201 13 0 "[ . 1 . 2]" 2
41 1 19 GLU QB 2 24 ASN HA 2.771 . 3.731 3.912 3.840 4.014 0.283 12 0 "[ . 1 . 2]" 2
42 2 15 GLU HA 2 15 GLU QB 2.109 . 2.665 2.432 2.355 2.482 . 0 0 "[ . 1 . 2]" 2
43 2 14 ARG QD 2 15 GLU HB2 2.687 . 3.590 3.736 3.526 4.252 0.662 10 1 "[ . + . 2]" 2
44 1 7 LYS HD2 1 7 LYS HE2 1.965 . 2.448 1.738 1.657 1.789 . 0 0 "[ . 1 . 2]" 2
45 1 19 GLU QB 2 24 ASN HB2 3.038 . 4.192 2.911 2.258 3.304 . 0 0 "[ . 1 . 2]" 2
46 1 7 LYS HD2 1 7 LYS HE2 1.857 . 2.288 1.753 1.697 1.809 . 0 0 "[ . 1 . 2]" 2
47 1 15 LYS HB2 1 15 LYS QD 1.965 . 5.000 3.410 3.284 3.514 . 0 0 "[ . 1 . 2]" 2
48 1 34 ILE HG13 2 40 LYS QD 3.077 . 4.261 4.233 4.011 4.349 0.088 10 0 "[ . 1 . 2]" 2
49 1 34 ILE MD 2 40 LYS HD3 2.370 . 3.072 2.612 2.054 2.849 . 0 0 "[ . 1 . 2]" 2
50 1 29 GLN H 1 29 GLN HB3 3.075 . 4.257 3.428 2.597 3.530 . 0 0 "[ . 1 . 2]" 2
51 1 6 SER HB2 1 8 GLU HG3 2.781 . 3.748 3.187 2.331 3.841 0.093 13 0 "[ . 1 . 2]" 2
52 1 51 GLU HA 1 51 GLU QG 2.757 . 3.707 2.798 2.382 3.404 . 0 0 "[ . 1 . 2]" 2
53 1 21 GLU HB3 1 21 GLU HG3 2.017 . 2.525 2.240 2.200 2.271 . 0 0 "[ . 1 . 2]" 2
54 1 26 LEU QD 1 29 GLN HG2 2.884 . 3.924 3.543 3.184 3.701 . 0 0 "[ . 1 . 2]" 2
55 1 30 LYS HB3 1 30 LYS HG2 2.996 . 4.118 2.023 1.917 2.133 . 0 0 "[ . 1 . 2]" 2
56 1 29 GLN HA 1 29 GLN HB2 2.254 . 2.889 2.258 2.052 2.553 . 0 0 "[ . 1 . 2]" 2
57 2 32 GLN HA 2 32 GLN HB3 2.233 . 2.856 2.216 2.164 2.245 . 0 0 "[ . 1 . 2]" 2
58 1 29 GLN HB2 1 30 LYS H 2.828 . 3.828 2.222 2.029 2.900 . 0 0 "[ . 1 . 2]" 2
59 1 28 THR MG 1 29 GLN HB2 3.056 . 4.224 3.585 3.227 3.900 . 0 0 "[ . 1 . 2]" 2
60 2 29 LYS HA 2 32 GLN HB2 2.350 . 3.040 2.692 2.547 2.803 . 0 0 "[ . 1 . 2]" 2
61 1 33 LYS H 1 33 LYS HA 2.263 . 2.903 2.524 2.508 2.548 . 0 0 "[ . 1 . 2]" 2
62 1 10 GLU HA 1 12 ARG H 2.535 . 3.338 3.392 3.241 3.540 0.202 20 0 "[ . 1 . 2]" 2
63 1 19 GLU HA 1 22 GLN HB2 2.457 . 3.211 2.819 2.646 2.922 . 0 0 "[ . 1 . 2]" 2
64 1 14 GLN HE22 1 14 GLN QG 2.684 . 3.584 3.337 3.210 3.499 . 0 0 "[ . 1 . 2]" 2
65 1 18 THR HA 1 22 GLN HG3 2.867 . 3.895 3.847 3.532 4.009 0.114 1 0 "[ . 1 . 2]" 2
66 1 19 GLU HA 1 22 GLN HG3 2.255 . 2.891 2.683 2.338 3.144 0.253 12 0 "[ . 1 . 2]" 2
67 1 39 GLN QB 1 39 GLN HG3 1.889 . 2.335 2.104 2.067 2.111 . 0 0 "[ . 1 . 2]" 2
68 1 14 GLN QB 1 14 GLN QG 1.854 . 5.000 2.010 1.984 2.079 . 0 0 "[ . 1 . 2]" 2
69 1 39 GLN QG 1 42 VAL MG2 2.993 . 4.112 4.104 3.763 4.325 0.213 12 0 "[ . 1 . 2]" 2
70 1 36 VAL QG 1 39 GLN QG 2.993 . 4.113 3.220 2.945 3.360 . 0 0 "[ . 1 . 2]" 2
71 1 13 TYR HA 1 16 LEU HB2 2.946 . 4.031 2.652 2.439 2.817 . 0 0 "[ . 1 . 2]" 2
72 1 41 LEU HA 1 41 LEU HB2 2.598 . 3.442 2.673 2.651 2.682 . 0 0 "[ . 1 . 2]" 2
73 1 51 GLU HB2 1 52 LEU HB3 2.725 . 5.000 4.704 4.235 5.131 0.131 9 0 "[ . 1 . 2]" 2
74 1 51 GLU HB3 1 52 LEU HB3 2.743 . 5.000 4.974 4.653 5.356 0.356 5 0 "[ . 1 . 2]" 2
75 2 41 LEU HB3 2 45 LEU HB2 2.902 . 3.955 4.012 3.794 4.346 0.391 16 0 "[ . 1 . 2]" 2
76 2 49 LEU QB 2 49 LEU MD2 2.162 . 2.746 2.059 2.033 2.091 . 0 0 "[ . 1 . 2]" 2
77 1 37 LEU HB2 2 40 LYS HG3 2.766 . 3.722 2.585 1.952 3.093 . 0 0 "[ . 1 . 2]" 2
78 1 41 LEU HB2 1 44 ARG QB 2.818 . 3.811 3.721 3.544 3.878 0.067 6 0 "[ . 1 . 2]" 2
79 1 41 LEU HB3 1 44 ARG QB 2.928 . 4.000 3.360 3.273 3.515 . 0 0 "[ . 1 . 2]" 2
80 2 16 LEU QB 2 16 LEU QD 1.755 . 2.140 1.740 1.730 1.750 . 0 0 "[ . 1 . 2]" 2
81 2 40 LYS QB 2 40 LYS HG2 2.298 . 2.958 2.454 2.382 2.488 . 0 0 "[ . 1 . 2]" 2
82 2 26 VAL QG 2 29 LYS QE 2.833 . 3.836 3.245 1.757 3.712 0.073 7 0 "[ . 1 . 2]" 2
83 1 15 LYS HA 1 15 LYS QB 1.999 . 2.499 2.103 2.071 2.134 . 0 0 "[ . 1 . 2]" 2
84 1 25 ARG HA 1 25 ARG HG2 2.448 . 3.197 2.691 2.613 2.811 . 0 0 "[ . 1 . 2]" 2
85 1 26 LEU HA 1 26 LEU HG 2.345 . 3.033 2.923 2.870 2.983 . 0 0 "[ . 1 . 2]" 2
86 1 41 LEU HA 1 44 ARG QG 2.545 . 3.354 2.216 1.802 2.668 . 0 0 "[ . 1 . 2]" 2
87 1 48 LYS HA 1 48 LYS QG 2.902 . 3.955 2.771 2.321 3.003 . 0 0 "[ . 1 . 2]" 2
88 1 50 THR HB 1 50 THR MG 1.943 . 2.415 1.903 1.900 1.905 . 0 0 "[ . 1 . 2]" 2
89 1 7 LYS HA 1 7 LYS QB 2.278 . 2.927 2.405 2.332 2.466 . 0 0 "[ . 1 . 2]" 2
90 1 34 ILE MD 2 33 ALA MB 2.849 . 3.864 2.984 2.644 3.340 . 0 0 "[ . 1 . 2]" 2
91 1 4 ALA HA 1 4 ALA MB 1.760 . 2.147 1.896 1.893 1.899 . 0 0 "[ . 1 . 2]" 2
92 1 3 SER HA 1 3 SER QB 2.277 . 2.925 2.333 2.187 2.390 . 0 0 "[ . 1 . 2]" 2
93 1 3 SER HA 1 3 SER HB2 2.250 . 2.883 2.213 2.051 2.306 . 0 0 "[ . 1 . 2]" 2
94 1 42 VAL HA 1 43 GLU HA 2.677 . 3.573 3.682 3.615 3.819 0.246 15 0 "[ . 1 . 2]" 2
95 1 16 LEU HG 2 20 VAL HA 2.682 . 3.581 3.730 3.671 3.786 0.205 18 0 "[ . 1 . 2]" 2
96 1 36 VAL MG1 1 36 VAL MG2 1.559 . 1.863 1.862 1.854 1.868 0.005 4 0 "[ . 1 . 2]" 2
97 1 36 VAL QG 1 37 LEU QD 2.229 . 5.000 3.098 2.908 3.644 . 0 0 "[ . 1 . 2]" 2
98 2 18 TYR QB 2 22 VAL MG1 2.742 . 5.000 4.327 4.140 4.534 . 0 0 "[ . 1 . 2]" 2
99 1 37 LEU QD 2 40 LYS QE 2.541 . 3.348 3.105 1.874 3.480 0.132 10 0 "[ . 1 . 2]" 2
100 1 15 LYS HA 1 18 THR HB 2.324 . 2.999 2.077 1.921 2.401 . 0 0 "[ . 1 . 2]" 2
101 1 18 THR HB 1 18 THR MG 2.158 . 2.740 1.890 1.879 1.900 . 0 0 "[ . 1 . 2]" 2
102 1 28 THR MG 1 29 GLN HG3 2.348 . 5.000 3.257 2.852 3.494 . 0 0 "[ . 1 . 2]" 2
103 1 25 ARG HB3 1 28 THR MG 2.772 . 3.732 3.755 3.592 4.008 0.276 4 0 "[ . 1 . 2]" 2
104 1 15 LYS QD 1 18 THR MG 2.737 . 3.673 3.146 2.683 3.552 . 0 0 "[ . 1 . 2]" 2
105 1 13 TYR H 1 13 TYR HB3 2.627 . 3.490 2.294 2.235 2.385 . 0 0 "[ . 1 . 2]" 2
106 2 17 GLN H 2 18 TYR HB3 2.652 . 5.000 4.189 4.080 4.384 . 0 0 "[ . 1 . 2]" 2
107 2 48 GLY H 2 48 GLY QA 2.357 . 3.051 2.271 2.199 2.344 . 0 0 "[ . 1 . 2]" 2
108 1 49 GLY QA 1 50 THR H 2.308 . 2.974 2.416 2.106 2.873 . 0 0 "[ . 1 . 2]" 2
109 1 49 GLY H 1 49 GLY QA 2.591 . 3.430 2.266 2.188 2.493 . 0 0 "[ . 1 . 2]" 2
110 2 16 LEU HA 2 16 LEU QB 2.461 . 3.218 2.332 2.247 2.378 . 0 0 "[ . 1 . 2]" 2
111 1 52 LEU QD 1 52 LEU HG 1.969 . 2.454 1.685 1.678 1.689 . 0 0 "[ . 1 . 2]" 2
112 1 23 LEU HB3 1 26 LEU HG 2.988 . 4.104 4.088 3.921 4.230 0.126 9 0 "[ . 1 . 2]" 2
113 1 46 ASP HA 1 46 ASP HB2 2.088 . 2.633 2.191 2.036 2.394 . 0 0 "[ . 1 . 2]" 2
114 1 46 ASP HA 1 46 ASP HB3 2.183 . 2.779 2.291 2.121 2.407 . 0 0 "[ . 1 . 2]" 2
115 2 12 ASP QB 2 16 LEU QB 3.054 . 4.220 3.292 2.573 3.719 . 0 0 "[ . 1 . 2]" 2
116 1 46 ASP H 1 46 ASP HB2 2.433 . 3.173 2.258 1.943 2.562 . 0 0 "[ . 1 . 2]" 2
117 1 46 ASP H 1 46 ASP HB3 2.614 . 3.468 2.264 2.071 2.532 . 0 0 "[ . 1 . 2]" 2
118 1 34 ILE MG 1 37 LEU HB3 2.515 . 3.306 3.383 3.304 3.473 0.167 19 0 "[ . 1 . 2]" 2
119 1 34 ILE MG 2 37 GLU HA 2.548 . 3.359 3.311 3.201 3.365 0.006 16 0 "[ . 1 . 2]" 2
120 1 25 ARG HA 2 31 ILE MD 2.875 . 5.000 4.537 4.391 4.628 . 0 0 "[ . 1 . 2]" 2
121 1 24 GLN H 2 31 ILE MD 3.106 . 4.312 3.865 3.776 3.976 . 0 0 "[ . 1 . 2]" 2
122 1 30 LYS HB3 2 31 ILE HG12 3.122 . 4.341 4.132 3.962 4.254 . 0 0 "[ . 1 . 2]" 2
123 2 36 ALA H 2 38 ILE MD 2.944 . 4.027 3.928 3.824 4.062 0.035 5 0 "[ . 1 . 2]" 2
124 2 38 ILE HB 2 38 ILE MD 2.085 . 2.628 1.988 1.974 1.997 . 0 0 "[ . 1 . 2]" 2
125 1 27 ILE MG 1 28 THR MG 2.790 . 5.000 4.404 4.256 4.603 . 0 0 "[ . 1 . 2]" 2
126 1 34 ILE MG 1 38 ARG H 2.871 . 3.901 3.352 3.188 3.749 . 0 0 "[ . 1 . 2]" 2
127 1 34 ILE HB 1 34 ILE MG 2.027 . 2.541 1.943 1.926 1.961 . 0 0 "[ . 1 . 2]" 2
128 1 7 LYS QB 1 8 GLU H 2.669 . 3.560 2.880 2.673 3.129 . 0 0 "[ . 1 . 2]" 2
129 1 7 LYS HB3 1 11 GLU QG 3.094 . 4.290 2.922 2.062 3.204 . 0 0 "[ . 1 . 2]" 2
130 2 29 LYS QB 2 29 LYS QD 2.232 . 2.855 2.249 2.033 2.371 . 0 0 "[ . 1 . 2]" 2
131 1 7 LYS HB3 1 7 LYS HD3 2.331 . 3.010 2.398 2.055 2.686 . 0 0 "[ . 1 . 2]" 2
132 1 7 LYS HB3 1 7 LYS QD 2.255 . 2.891 2.299 2.019 3.018 0.127 18 0 "[ . 1 . 2]" 2
133 1 15 LYS QB 1 15 LYS HG2 2.119 . 2.680 2.074 2.044 2.109 . 0 0 "[ . 1 . 2]" 2
134 2 29 LYS QB 2 29 LYS HG2 2.152 . 2.731 2.045 2.002 2.115 . 0 0 "[ . 1 . 2]" 2
135 1 15 LYS QB 1 15 LYS HG3 2.405 . 3.128 2.162 2.159 2.164 . 0 0 "[ . 1 . 2]" 2
136 2 40 LYS HA 2 40 LYS QB 2.267 . 2.909 2.172 2.157 2.181 . 0 0 "[ . 1 . 2]" 2
137 1 15 LYS HA 1 15 LYS QB 2.150 . 2.728 2.389 2.361 2.419 . 0 0 "[ . 1 . 2]" 2
138 1 14 GLN HA 1 14 GLN QB 2.375 . 3.080 2.379 2.350 2.398 . 0 0 "[ . 1 . 2]" 2
139 1 39 GLN QB 1 42 VAL MG2 2.766 . 3.722 3.690 3.146 3.790 0.068 14 0 "[ . 1 . 2]" 2
140 1 14 GLN QB 1 14 GLN HG2 2.054 . 2.581 2.107 2.095 2.120 . 0 0 "[ . 1 . 2]" 2
141 1 22 GLN HA 1 22 GLN HB3 2.182 . 2.777 2.104 2.025 2.144 . 0 0 "[ . 1 . 2]" 2
142 1 36 VAL QG 1 39 GLN QG 2.663 . 3.550 3.325 2.987 3.469 . 0 0 "[ . 1 . 2]" 2
143 2 15 GLU HA 2 15 GLU QG 2.053 . 2.580 2.638 2.213 2.782 0.202 4 0 "[ . 1 . 2]" 2
144 2 11 ASP QB 2 15 GLU QG 2.568 . 3.392 2.699 1.903 3.388 . 0 0 "[ . 1 . 2]" 2
145 1 29 GLN HB2 1 29 GLN HG3 2.151 . 2.729 2.072 1.958 2.161 . 0 0 "[ . 1 . 2]" 2
146 2 25 ARG HA 2 26 VAL H 2.860 . 3.882 3.168 3.091 3.216 . 0 0 "[ . 1 . 2]" 2
147 2 25 ARG HA 2 29 LYS H 2.677 . 5.000 4.015 3.764 4.290 . 0 0 "[ . 1 . 2]" 2
148 1 15 LYS HA 1 16 LEU H 2.588 . 3.425 3.132 2.956 3.266 . 0 0 "[ . 1 . 2]" 2
149 1 11 GLU HB2 1 11 GLU QG 1.750 . 2.133 1.983 1.923 2.113 . 0 0 "[ . 1 . 2]" 2
150 1 8 GLU QB 1 8 GLU HG3 2.080 . 2.621 2.082 2.001 2.275 . 0 0 "[ . 1 . 2]" 2
151 1 10 GLU HB2 1 10 GLU HG2 1.769 . 2.160 2.165 2.003 2.263 0.103 1 0 "[ . 1 . 2]" 2
152 1 11 GLU HA 1 12 ARG H 2.341 . 3.026 2.889 2.588 3.062 0.036 18 0 "[ . 1 . 2]" 2
153 1 11 GLU HB2 1 11 GLU QG 1.999 . 2.499 1.969 1.939 2.062 . 0 0 "[ . 1 . 2]" 2
154 1 32 GLU QG 1 36 VAL QG 2.355 . 5.000 4.753 4.351 4.953 . 0 0 "[ . 1 . 2]" 2
155 1 10 GLU HA 1 10 GLU QG 2.307 . 2.972 2.309 2.063 2.527 . 0 0 "[ . 1 . 2]" 2
156 2 10 VAL HA 2 10 VAL QG 2.293 . 2.950 2.184 2.120 2.357 . 0 0 "[ . 1 . 2]" 2
157 1 48 LYS HB2 1 48 LYS QG 2.385 . 3.096 2.230 2.138 2.396 . 0 0 "[ . 1 . 2]" 2
158 1 48 LYS HB3 1 48 LYS QG 2.274 . 2.920 2.296 2.160 2.479 . 0 0 "[ . 1 . 2]" 2
159 1 30 LYS HB2 1 30 LYS HG2 2.854 . 3.872 2.454 2.205 2.810 . 0 0 "[ . 1 . 2]" 2
160 2 40 LYS QD 2 40 LYS HE3 1.971 . 2.457 2.363 2.147 2.458 0.001 6 0 "[ . 1 . 2]" 2
161 1 48 LYS HE2 1 48 LYS HG2 2.105 . 2.659 2.428 2.142 2.919 0.260 1 0 "[ . 1 . 2]" 2
162 1 48 LYS HD2 1 48 LYS HE2 1.686 . 2.041 2.209 2.027 2.303 0.262 1 0 "[ . 1 . 2]" 2
163 2 40 LYS QB 2 40 LYS HE3 2.522 . 3.317 2.175 1.745 3.375 0.058 20 0 "[ . 1 . 2]" 2
164 2 40 LYS QE 2 40 LYS HG3 2.817 . 3.809 2.638 2.396 3.109 . 0 0 "[ . 1 . 2]" 2
165 2 40 LYS QE 2 40 LYS HG2 2.779 . 3.745 3.232 2.780 3.452 . 0 0 "[ . 1 . 2]" 2
166 2 37 GLU H 2 40 LYS HD2 3.057 . 4.225 3.472 3.144 4.123 . 0 0 "[ . 1 . 2]" 2
167 2 40 LYS QD 2 41 LEU H 3.249 . 4.568 3.817 3.691 4.081 . 0 0 "[ . 1 . 2]" 2
168 1 15 LYS QD 1 15 LYS HE2 2.160 . 2.743 2.006 1.937 2.059 . 0 0 "[ . 1 . 2]" 2
169 2 40 LYS QD 2 40 LYS HG2 2.162 . 2.746 2.157 2.130 2.166 . 0 0 "[ . 1 . 2]" 2
170 1 48 LYS HA 1 48 LYS QE 2.743 . 3.683 3.460 1.854 3.860 0.177 9 0 "[ . 1 . 2]" 2
171 1 7 LYS QD 1 7 LYS HG2 1.510 . 1.795 1.853 1.774 1.930 0.135 2 0 "[ . 1 . 2]" 2
172 1 48 LYS HA 1 48 LYS QD 2.795 . 3.772 2.166 1.853 3.415 . 0 0 "[ . 1 . 2]" 2
173 1 48 LYS QE 1 48 LYS HG2 2.608 . 3.458 2.556 2.221 3.487 0.029 4 0 "[ . 1 . 2]" 2
174 1 7 LYS QE 1 7 LYS QG 2.425 . 3.160 2.203 2.079 2.619 . 0 0 "[ . 1 . 2]" 2
175 1 48 LYS QB 1 48 LYS QG 2.177 . 2.770 2.002 1.995 2.018 . 0 0 "[ . 1 . 2]" 2
176 1 7 LYS QB 1 7 LYS QG 2.213 . 2.825 1.963 1.897 2.010 . 0 0 "[ . 1 . 2]" 2
177 1 7 LYS HB3 1 7 LYS QG 2.087 . 2.632 2.133 2.016 2.231 . 0 0 "[ . 1 . 2]" 2
178 2 29 LYS QB 2 29 LYS HG3 2.197 . 2.801 2.378 2.218 2.460 . 0 0 "[ . 1 . 2]" 2
179 1 48 LYS QD 1 48 LYS HG2 1.626 . 1.957 1.973 1.875 2.080 0.123 11 0 "[ . 1 . 2]" 2
180 1 15 LYS HB3 1 15 LYS QE 3.041 . 4.197 2.914 1.915 4.186 . 0 0 "[ . 1 . 2]" 2
181 1 34 ILE HG12 2 40 LYS QE 3.164 . 4.415 4.587 4.477 4.676 0.261 5 0 "[ . 1 . 2]" 2
182 1 15 LYS HA 1 15 LYS QE 2.591 . 3.430 3.145 2.573 3.576 0.146 7 0 "[ . 1 . 2]" 2
183 1 15 LYS QE 1 15 LYS HG3 2.164 . 2.750 2.557 2.308 3.075 0.325 14 0 "[ . 1 . 2]" 2
184 1 7 LYS QD 1 7 LYS QE 1.786 . 2.185 1.823 1.729 1.901 . 0 0 "[ . 1 . 2]" 2
185 1 19 GLU HA 1 19 GLU HB3 1.964 . 2.446 2.053 2.034 2.073 . 0 0 "[ . 1 . 2]" 2
186 1 18 THR HA 1 21 GLU HB3 2.411 . 5.000 3.914 3.389 4.375 . 0 0 "[ . 1 . 2]" 2
187 1 15 LYS QE 1 15 LYS HG2 2.471 . 3.234 2.859 2.212 3.450 0.216 10 0 "[ . 1 . 2]" 2
188 1 43 GLU H 1 44 ARG QG 3.054 . 4.220 3.990 3.721 4.240 0.020 7 0 "[ . 1 . 2]" 2
189 1 13 TYR HB3 1 16 LEU QD 2.598 . 5.000 3.049 2.704 3.197 . 0 0 "[ . 1 . 2]" 2
190 1 16 LEU QD 1 19 GLU HB2 2.554 . 5.000 2.664 2.505 2.759 . 0 0 "[ . 1 . 2]" 2
191 1 22 GLN HB2 1 23 LEU HG 2.745 . 5.000 5.203 5.106 5.338 0.338 9 0 "[ . 1 . 2]" 2
192 1 23 LEU QD 1 23 LEU HG 2.111 . 2.668 1.889 1.885 1.891 . 0 0 "[ . 1 . 2]" 2
193 1 37 LEU QD 1 37 LEU HG 1.893 . 2.341 1.893 1.878 1.898 . 0 0 "[ . 1 . 2]" 2
194 1 37 LEU HB3 1 37 LEU HG 2.366 . 3.066 2.227 2.197 2.256 . 0 0 "[ . 1 . 2]" 2
195 1 37 LEU HG 2 40 LYS HB2 2.216 . 5.000 3.660 3.058 3.876 . 0 0 "[ . 1 . 2]" 2
196 1 37 LEU HB2 1 37 LEU HG 2.224 . 2.843 2.276 2.257 2.307 . 0 0 "[ . 1 . 2]" 2
197 1 37 LEU HB2 1 37 LEU QD 2.556 . 3.373 2.155 1.942 2.359 . 0 0 "[ . 1 . 2]" 2
198 1 25 ARG HG2 1 26 LEU HG 1.735 . 5.000 2.589 2.336 2.828 . 0 0 "[ . 1 . 2]" 2
199 2 44 LEU H 2 45 LEU QD 3.252 . 4.574 3.359 3.125 3.648 . 0 0 "[ . 1 . 2]" 2
200 2 16 LEU HB2 2 16 LEU MD2 2.104 . 2.657 2.091 2.061 2.124 . 0 0 "[ . 1 . 2]" 2
201 2 16 LEU QB 2 20 VAL QG 3.049 . 4.211 4.213 4.107 4.356 0.145 5 0 "[ . 1 . 2]" 2
202 2 16 LEU QD 2 16 LEU HG 1.771 . 2.163 1.593 1.576 1.613 . 0 0 "[ . 1 . 2]" 2
203 2 40 LYS QD 2 41 LEU HG 2.371 . 5.000 3.550 3.219 3.735 . 0 0 "[ . 1 . 2]" 2
204 1 25 ARG HD2 1 25 ARG HG2 1.941 . 2.412 2.160 1.952 2.411 . 0 0 "[ . 1 . 2]" 2
205 2 47 SER H 2 48 GLY H 2.655 . 3.536 2.087 1.932 2.248 . 0 0 "[ . 1 . 2]" 2
206 1 19 GLU H 1 19 GLU HB2 2.440 . 3.184 2.139 1.947 2.453 . 0 0 "[ . 1 . 2]" 2
207 1 28 THR HA 1 31 GLU H 2.871 . 3.901 3.175 3.054 3.283 . 0 0 "[ . 1 . 2]" 2
208 1 24 GLN H 1 25 ARG H 2.458 . 3.213 2.273 2.173 2.408 . 0 0 "[ . 1 . 2]" 2
209 1 5 ILE HA 1 6 SER H 2.326 . 3.002 2.096 2.037 2.185 . 0 0 "[ . 1 . 2]" 2
210 1 21 GLU HA 1 22 GLN H 2.379 . 3.086 2.698 2.681 2.727 . 0 0 "[ . 1 . 2]" 2
211 1 6 SER HB2 1 7 LYS H 2.908 . 3.965 2.656 2.544 2.749 . 0 0 "[ . 1 . 2]" 2
212 1 25 ARG HA 1 28 THR H 2.430 . 3.168 2.639 2.590 2.668 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 69
_Distance_constraint_stats_list.Viol_count 295
_Distance_constraint_stats_list.Viol_total 346.541
_Distance_constraint_stats_list.Viol_max 0.355
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.0587
_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 8 GLU 0.269 0.110 11 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.020 0.017 11 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.506 0.110 11 0 "[ . 1 . 2]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.020 0.017 11 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.237 0.084 19 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.271 0.071 3 0 "[ . 1 . 2]"
1 20 ASN 0.112 0.059 12 0 "[ . 1 . 2]"
1 21 GLU 0.362 0.074 9 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.271 0.071 3 0 "[ . 1 . 2]"
1 24 GLN 0.112 0.059 12 0 "[ . 1 . 2]"
1 25 ARG 0.362 0.074 9 0 "[ . 1 . 2]"
1 26 LEU 0.117 0.063 7 0 "[ . 1 . 2]"
1 27 ILE 0.180 0.073 16 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.489 0.130 12 0 "[ . 1 . 2]"
1 30 LYS 0.153 0.063 7 0 "[ . 1 . 2]"
1 31 GLU 0.180 0.073 16 0 "[ . 1 . 2]"
1 32 GLU 0.821 0.095 5 0 "[ . 1 . 2]"
1 33 LYS 0.526 0.130 12 0 "[ . 1 . 2]"
1 34 ILE 0.053 0.016 1 0 "[ . 1 . 2]"
1 35 ARG 0.124 0.084 2 0 "[ . 1 . 2]"
1 36 VAL 0.821 0.095 5 0 "[ . 1 . 2]"
1 37 LEU 0.055 0.037 20 0 "[ . 1 . 2]"
1 38 ARG 0.016 0.012 14 0 "[ . 1 . 2]"
1 39 GLN 0.257 0.084 2 0 "[ . 1 . 2]"
1 40 ARG 0.161 0.097 7 0 "[ . 1 . 2]"
1 41 LEU 0.018 0.018 11 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.133 0.059 7 0 "[ . 1 . 2]"
1 44 ARG 0.161 0.097 7 0 "[ . 1 . 2]"
2 7 ARG 0.585 0.145 2 0 "[ . 1 . 2]"
2 8 PHE 0.354 0.112 12 0 "[ . 1 . 2]"
2 9 VAL 0.449 0.162 10 0 "[ . 1 . 2]"
2 10 VAL 0.788 0.152 7 0 "[ . 1 . 2]"
2 11 ASP 0.856 0.145 2 0 "[ . 1 . 2]"
2 12 ASP 3.196 0.355 6 0 "[ . 1 . 2]"
2 13 ARG 1.266 0.162 10 0 "[ . 1 . 2]"
2 14 ARG 0.788 0.152 7 0 "[ . 1 . 2]"
2 15 GLU 0.356 0.067 7 0 "[ . 1 . 2]"
2 16 LEU 2.870 0.355 6 0 "[ . 1 . 2]"
2 17 GLN 0.928 0.159 18 0 "[ . 1 . 2]"
2 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 ARG 0.086 0.034 15 0 "[ . 1 . 2]"
2 20 VAL 0.029 0.029 9 0 "[ . 1 . 2]"
2 21 GLU 0.111 0.074 8 0 "[ . 1 . 2]"
2 22 VAL 1.004 0.090 9 0 "[ . 1 . 2]"
2 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 ASN 0.314 0.093 8 0 "[ . 1 . 2]"
2 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 VAL 1.004 0.090 9 0 "[ . 1 . 2]"
2 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 LYS 0.314 0.093 8 0 "[ . 1 . 2]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 GLU 0.303 0.067 17 0 "[ . 1 . 2]"
2 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 GLN 0.863 0.114 16 0 "[ . 1 . 2]"
2 33 ALA 0.293 0.110 13 0 "[ . 1 . 2]"
2 34 LEU 0.303 0.067 17 0 "[ . 1 . 2]"
2 35 ASP 0.673 0.116 3 0 "[ . 1 . 2]"
2 36 ALA 4.036 0.224 9 0 "[ . 1 . 2]"
2 37 GLU 0.293 0.110 13 0 "[ . 1 . 2]"
2 38 ILE 0.138 0.047 4 0 "[ . 1 . 2]"
2 39 ARG 0.682 0.116 3 0 "[ . 1 . 2]"
2 40 LYS 3.842 0.224 9 0 "[ . 1 . 2]"
2 41 LEU 0.078 0.033 20 0 "[ . 1 . 2]"
2 42 GLU 0.214 0.047 4 0 "[ . 1 . 2]"
2 43 ARG 0.009 0.009 17 0 "[ . 1 . 2]"
2 44 LEU 0.669 0.140 19 0 "[ . 1 . 2]"
2 45 LEU 0.078 0.033 20 0 "[ . 1 . 2]"
2 46 GLU 0.075 0.031 6 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 8 GLU O 1 12 ARG H 2.200 . 2.700 2.367 2.053 2.810 0.110 11 0 "[ . 1 . 2]" 3
2 1 9 ASP O 1 13 TYR H 2.200 . 2.700 2.172 1.868 2.657 . 0 0 "[ . 1 . 2]" 3
3 1 10 GLU O 1 14 GLN H 2.200 . 2.700 1.807 1.713 2.020 0.017 11 0 "[ . 1 . 2]" 3
4 1 11 GLU O 1 15 LYS H 2.200 . 2.700 1.998 1.757 2.319 . 0 0 "[ . 1 . 2]" 3
5 1 12 ARG O 1 16 LEU H 2.200 . 2.700 2.475 2.045 2.784 0.084 19 0 "[ . 1 . 2]" 3
6 1 13 TYR O 1 17 VAL H 2.200 . 2.700 1.980 1.847 2.075 . 0 0 "[ . 1 . 2]" 3
7 1 14 GLN O 1 18 THR H 2.200 . 2.700 2.092 1.905 2.432 . 0 0 "[ . 1 . 2]" 3
8 1 15 LYS O 1 19 GLU H 2.200 . 2.700 1.961 1.784 2.180 . 0 0 "[ . 1 . 2]" 3
9 1 16 LEU O 1 20 ASN H 2.200 . 2.700 2.214 1.912 2.694 . 0 0 "[ . 1 . 2]" 3
10 1 17 VAL O 1 21 GLU H 2.200 . 2.700 1.951 1.742 2.300 . 0 0 "[ . 1 . 2]" 3
11 1 18 THR O 1 22 GLN H 2.200 . 2.700 2.101 1.843 2.264 . 0 0 "[ . 1 . 2]" 3
12 1 19 GLU O 1 23 LEU H 2.200 . 2.700 2.526 1.941 2.771 0.071 3 0 "[ . 1 . 2]" 3
13 1 20 ASN O 1 24 GLN H 2.200 . 2.700 2.365 1.825 2.759 0.059 12 0 "[ . 1 . 2]" 3
14 1 21 GLU O 1 25 ARG H 2.200 . 2.700 2.660 2.283 2.774 0.074 9 0 "[ . 1 . 2]" 3
15 1 22 GLN O 1 26 LEU H 2.200 . 2.700 2.373 2.143 2.659 . 0 0 "[ . 1 . 2]" 3
16 1 23 LEU O 1 27 ILE H 2.200 . 2.700 1.914 1.800 2.008 . 0 0 "[ . 1 . 2]" 3
17 1 24 GLN O 1 28 THR H 2.200 . 2.700 2.119 1.862 2.329 . 0 0 "[ . 1 . 2]" 3
18 1 25 ARG O 1 29 GLN H 2.200 . 2.700 2.039 1.859 2.320 . 0 0 "[ . 1 . 2]" 3
19 1 26 LEU O 1 30 LYS H 2.200 . 2.700 2.441 2.138 2.763 0.063 7 0 "[ . 1 . 2]" 3
20 1 27 ILE O 1 31 GLU H 2.200 . 2.700 1.732 1.657 1.799 0.073 16 0 "[ . 1 . 2]" 3
21 1 28 THR O 1 32 GLU H 2.200 . 2.700 2.189 1.854 2.482 . 0 0 "[ . 1 . 2]" 3
22 1 29 GLN O 1 33 LYS H 2.200 . 2.700 2.636 2.205 2.830 0.130 12 0 "[ . 1 . 2]" 3
23 1 30 LYS O 1 34 ILE H 2.200 . 2.700 1.826 1.714 2.019 0.016 1 0 "[ . 1 . 2]" 3
24 1 31 GLU O 1 35 ARG H 2.200 . 2.700 1.923 1.732 2.235 . 0 0 "[ . 1 . 2]" 3
25 1 32 GLU O 1 36 VAL H 2.200 . 2.700 2.691 2.000 2.795 0.095 5 0 "[ . 1 . 2]" 3
26 1 33 LYS O 1 37 LEU H 2.200 . 2.700 2.375 1.969 2.737 0.037 20 0 "[ . 1 . 2]" 3
27 1 34 ILE O 1 38 ARG H 2.200 . 2.700 1.867 1.718 2.569 0.012 14 0 "[ . 1 . 2]" 3
28 1 35 ARG O 1 39 GLN H 2.200 . 2.700 2.296 1.888 2.784 0.084 2 0 "[ . 1 . 2]" 3
29 1 36 VAL O 1 40 ARG H 2.200 . 2.700 2.240 1.782 2.628 . 0 0 "[ . 1 . 2]" 3
30 1 37 LEU O 1 41 LEU H 2.200 . 2.700 1.896 1.712 2.212 0.018 11 0 "[ . 1 . 2]" 3
31 1 38 ARG O 1 42 VAL H 2.200 . 2.700 2.053 1.830 2.575 . 0 0 "[ . 1 . 2]" 3
32 1 39 GLN O 1 43 GLU H 2.200 . 2.700 2.500 2.157 2.759 0.059 7 0 "[ . 1 . 2]" 3
33 1 40 ARG O 1 44 ARG H 2.200 . 2.700 2.463 1.946 2.797 0.097 7 0 "[ . 1 . 2]" 3
34 2 7 ARG O 2 11 ASP H 2.200 . 2.700 2.515 1.827 2.845 0.145 2 0 "[ . 1 . 2]" 3
35 2 8 PHE O 2 12 ASP H 2.200 . 2.700 2.295 1.693 2.812 0.112 12 0 "[ . 1 . 2]" 3
36 2 9 VAL O 2 13 ARG H 2.200 . 2.700 2.544 2.053 2.862 0.162 10 0 "[ . 1 . 2]" 3
37 2 10 VAL O 2 14 ARG H 2.200 . 2.700 2.469 1.870 2.852 0.152 7 0 "[ . 1 . 2]" 3
38 2 11 ASP O 2 15 GLU H 2.200 . 2.700 1.880 1.663 2.638 0.067 7 0 "[ . 1 . 2]" 3
39 2 12 ASP O 2 16 LEU H 2.200 . 2.700 2.842 2.715 3.055 0.355 6 0 "[ . 1 . 2]" 3
40 2 13 ARG O 2 17 GLN H 2.200 . 2.700 2.512 1.852 2.859 0.159 18 0 "[ . 1 . 2]" 3
41 2 14 ARG O 2 18 TYR H 2.200 . 2.700 2.161 1.869 2.505 . 0 0 "[ . 1 . 2]" 3
42 2 15 GLU O 2 19 ARG H 2.200 . 2.700 2.231 1.819 2.734 0.034 15 0 "[ . 1 . 2]" 3
43 2 16 LEU O 2 20 VAL H 2.200 . 2.700 2.445 2.087 2.729 0.029 9 0 "[ . 1 . 2]" 3
44 2 17 GLN O 2 21 GLU H 2.200 . 2.700 2.395 1.883 2.774 0.074 8 0 "[ . 1 . 2]" 3
45 2 18 TYR O 2 22 VAL H 2.200 . 2.700 2.382 2.078 2.631 . 0 0 "[ . 1 . 2]" 3
46 2 19 ARG O 2 23 GLN H 2.200 . 2.700 2.056 1.730 2.491 . 0 0 "[ . 1 . 2]" 3
47 2 20 VAL O 2 24 ASN H 2.200 . 2.700 1.915 1.743 2.220 . 0 0 "[ . 1 . 2]" 3
48 2 21 GLU O 2 25 ARG H 2.200 . 2.700 2.119 1.807 2.435 . 0 0 "[ . 1 . 2]" 3
49 2 22 VAL O 2 26 VAL H 2.200 . 2.700 1.680 1.640 1.719 0.090 9 0 "[ . 1 . 2]" 3
50 2 23 GLN O 2 27 TYR H 2.200 . 2.700 1.910 1.745 2.145 . 0 0 "[ . 1 . 2]" 3
51 2 24 ASN O 2 28 LYS H 2.200 . 2.700 2.547 2.010 2.793 0.093 8 0 "[ . 1 . 2]" 3
52 2 25 ARG O 2 29 LYS H 2.200 . 2.700 2.055 1.811 2.298 . 0 0 "[ . 1 . 2]" 3
53 2 26 VAL O 2 30 GLU H 2.200 . 2.700 2.088 1.859 2.262 . 0 0 "[ . 1 . 2]" 3
54 2 27 TYR O 2 31 ILE H 2.200 . 2.700 2.227 2.124 2.355 . 0 0 "[ . 1 . 2]" 3
55 2 28 LYS O 2 32 GLN H 2.200 . 2.700 2.273 1.994 2.689 . 0 0 "[ . 1 . 2]" 3
56 2 29 LYS O 2 33 ALA H 2.200 . 2.700 2.187 2.034 2.393 . 0 0 "[ . 1 . 2]" 3
57 2 30 GLU O 2 34 LEU H 2.200 . 2.700 1.741 1.663 1.871 0.067 17 0 "[ . 1 . 2]" 3
58 2 31 ILE O 2 35 ASP H 2.200 . 2.700 2.006 1.933 2.134 . 0 0 "[ . 1 . 2]" 3
59 2 32 GLN O 2 36 ALA H 2.200 . 2.700 2.716 2.496 2.814 0.114 16 0 "[ . 1 . 2]" 3
60 2 33 ALA O 2 37 GLU H 2.200 . 2.700 2.536 2.099 2.810 0.110 13 0 "[ . 1 . 2]" 3
61 2 34 LEU O 2 38 ILE H 2.200 . 2.700 1.872 1.757 2.012 . 0 0 "[ . 1 . 2]" 3
62 2 35 ASP O 2 39 ARG H 2.200 . 2.700 2.691 2.476 2.816 0.116 3 0 "[ . 1 . 2]" 3
63 2 36 ALA O 2 40 LYS H 2.200 . 2.700 2.859 2.749 2.924 0.224 9 0 "[ . 1 . 2]" 3
64 2 37 GLU O 2 41 LEU H 2.200 . 2.700 1.998 1.816 2.151 . 0 0 "[ . 1 . 2]" 3
65 2 38 ILE O 2 42 GLU H 2.200 . 2.700 1.768 1.683 1.919 0.047 4 0 "[ . 1 . 2]" 3
66 2 39 ARG O 2 43 ARG H 2.200 . 2.700 2.287 2.002 2.709 0.009 17 0 "[ . 1 . 2]" 3
67 2 40 LYS O 2 44 LEU H 2.200 . 2.700 2.652 2.314 2.840 0.140 19 0 "[ . 1 . 2]" 3
68 2 41 LEU O 2 45 LEU H 2.200 . 2.700 1.848 1.697 2.116 0.033 20 0 "[ . 1 . 2]" 3
69 2 42 GLU O 2 46 GLU H 2.200 . 2.700 1.799 1.699 1.988 0.031 6 0 "[ . 1 . 2]" 3
stop_
save_
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