Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563892 | 2m6y RC | 19163 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m6y
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 969
_Distance_constraint_stats_list.Viol_count 3391
_Distance_constraint_stats_list.Viol_total 11346.112
_Distance_constraint_stats_list.Viol_max 0.541
_Distance_constraint_stats_list.Viol_rms 0.0819
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0293
_Distance_constraint_stats_list.Viol_average_violations_only 0.1673
_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 11 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 8.672 0.406 19 0 "[ . 1 . 2]"
1 13 LYS 8.366 0.433 16 0 "[ . 1 . 2]"
1 14 GLU 1.402 0.236 18 0 "[ . 1 . 2]"
1 15 THR 28.689 0.449 18 0 "[ . 1 . 2]"
1 16 THR 21.756 0.470 2 0 "[ . 1 . 2]"
1 17 TYR 22.174 0.342 3 0 "[ . 1 . 2]"
1 18 TYR 19.798 0.406 17 0 "[ . 1 . 2]"
1 19 ASP 18.429 0.470 2 0 "[ . 1 . 2]"
1 20 VAL 27.135 0.437 1 0 "[ . 1 . 2]"
1 21 LEU 27.576 0.450 18 0 "[ . 1 . 2]"
1 22 GLY 5.005 0.226 8 0 "[ . 1 . 2]"
1 23 VAL 20.407 0.333 13 0 "[ . 1 . 2]"
1 24 LYS 11.822 0.263 14 0 "[ . 1 . 2]"
1 25 PRO 9.279 0.174 15 0 "[ . 1 . 2]"
1 26 ASN 10.530 0.264 1 0 "[ . 1 . 2]"
1 27 ALA 24.623 0.333 13 0 "[ . 1 . 2]"
1 28 THR 34.201 0.403 15 0 "[ . 1 . 2]"
1 29 GLN 19.559 0.403 15 0 "[ . 1 . 2]"
1 30 GLU 18.430 0.374 20 0 "[ . 1 . 2]"
1 31 GLU 36.094 0.434 11 0 "[ . 1 . 2]"
1 32 LEU 31.830 0.434 11 0 "[ . 1 . 2]"
1 33 LYS 1.398 0.189 6 0 "[ . 1 . 2]"
1 34 LYS 0.905 0.112 15 0 "[ . 1 . 2]"
1 35 ALA 14.784 0.450 18 0 "[ . 1 . 2]"
1 36 TYR 1.865 0.145 2 0 "[ . 1 . 2]"
1 37 ARG 2.759 0.386 2 0 "[ . 1 . 2]"
1 38 LYS 3.453 0.184 10 0 "[ . 1 . 2]"
1 39 LEU 19.382 0.365 4 0 "[ . 1 . 2]"
1 40 ALA 12.010 0.365 4 0 "[ . 1 . 2]"
1 41 LEU 13.483 0.308 10 0 "[ . 1 . 2]"
1 42 LYS 12.616 0.470 1 0 "[ . 1 . 2]"
1 43 TYR 6.472 0.386 4 0 "[ . 1 . 2]"
1 44 HIS 4.541 0.429 7 0 "[ . 1 . 2]"
1 45 PRO 9.187 0.389 4 0 "[ . 1 . 2]"
1 46 ASP 0.543 0.305 16 0 "[ . 1 . 2]"
1 47 LYS 4.687 0.429 7 0 "[ . 1 . 2]"
1 48 ASN 15.433 0.387 14 0 "[ . 1 . 2]"
1 49 PRO 37.887 0.444 8 0 "[ . 1 . 2]"
1 50 ASN 3.590 0.207 8 0 "[ . 1 . 2]"
1 51 GLU 12.404 0.248 15 0 "[ . 1 . 2]"
1 52 GLY 6.865 0.266 8 0 "[ . 1 . 2]"
1 53 GLU 1.867 0.283 6 0 "[ . 1 . 2]"
1 54 LYS 18.529 0.541 4 2 "[ +. 1- . 2]"
1 55 PHE 10.077 0.458 18 0 "[ . 1 . 2]"
1 56 LYS 0.058 0.038 10 0 "[ . 1 . 2]"
1 57 GLN 25.713 0.458 18 0 "[ . 1 . 2]"
1 58 ILE 13.469 0.453 7 0 "[ . 1 . 2]"
1 59 SER 2.771 0.321 7 0 "[ . 1 . 2]"
1 60 GLN 21.994 0.432 19 0 "[ . 1 . 2]"
1 61 ALA 20.831 0.494 9 0 "[ . 1 . 2]"
1 62 TYR 5.590 0.301 13 0 "[ . 1 . 2]"
1 63 GLU 15.555 0.520 15 2 "[ - . 1 + 2]"
1 64 VAL 63.744 0.525 5 4 "[ *- + 1 * 2]"
1 65 LEU 18.420 0.418 15 0 "[ . 1 . 2]"
1 66 SER 1.349 0.219 9 0 "[ . 1 . 2]"
1 67 ASP 1.459 0.365 6 0 "[ . 1 . 2]"
1 68 ALA 1.858 0.124 11 0 "[ . 1 . 2]"
1 69 LYS 5.283 0.357 2 0 "[ . 1 . 2]"
1 70 LYS 12.990 0.525 5 2 "[ - + 1 . 2]"
1 71 ARG 4.018 0.142 11 0 "[ . 1 . 2]"
1 72 GLU 24.614 0.484 10 0 "[ . 1 . 2]"
1 73 LEU 16.936 0.415 1 0 "[ . 1 . 2]"
1 74 TYR 9.109 0.370 19 0 "[ . 1 . 2]"
1 75 ASP 3.066 0.259 13 0 "[ . 1 . 2]"
1 76 LYS 5.735 0.392 20 0 "[ . 1 . 2]"
1 77 GLY 3.059 0.392 20 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 11 MET HA 1 11 MET HB3 2.738 . 3.286 2.499 2.378 2.527 . 0 0 "[ . 1 . 2]" 1
2 1 11 MET HA 1 11 MET QG 3.106 . 3.727 2.569 2.356 3.341 . 0 0 "[ . 1 . 2]" 1
3 1 11 MET HA 1 12 VAL H 2.550 . 3.060 2.212 2.124 2.371 . 0 0 "[ . 1 . 2]" 1
4 1 12 VAL H 1 12 VAL HB 5.464 2.732 6.557 3.139 2.580 3.676 0.152 16 0 "[ . 1 . 2]" 1
5 1 12 VAL HA 1 13 LYS QG 3.129 . 3.755 3.929 3.746 4.161 0.406 19 0 "[ . 1 . 2]" 1
6 1 12 VAL HA 1 15 THR MG 3.099 . 4.719 4.776 4.478 5.115 0.396 10 0 "[ . 1 . 2]" 1
7 1 12 VAL HB 1 13 LYS H 6.034 3.017 8.241 4.035 3.049 4.374 . 0 0 "[ . 1 . 2]" 1
8 1 12 VAL HA 1 13 LYS H 4.458 2.229 5.350 2.134 2.101 2.186 0.128 13 0 "[ . 1 . 2]" 1
9 1 13 LYS HA 1 13 LYS QG 2.915 . 3.498 2.512 2.377 3.343 . 0 0 "[ . 1 . 2]" 1
10 1 13 LYS HA 1 13 LYS HG2 2.764 . 3.317 2.644 2.490 3.699 0.382 16 0 "[ . 1 . 2]" 1
11 1 13 LYS QE 1 13 LYS QG 3.026 . 3.631 2.220 2.116 2.363 . 0 0 "[ . 1 . 2]" 1
12 1 13 LYS HA 1 13 LYS HB3 2.359 . 2.831 2.486 2.369 2.526 . 0 0 "[ . 1 . 2]" 1
13 1 13 LYS H 1 13 LYS HB2 2.911 . 3.493 2.705 2.483 3.881 0.388 16 0 "[ . 1 . 2]" 1
14 1 13 LYS HA 1 13 LYS HB2 2.813 . 3.376 2.999 2.512 3.037 . 0 0 "[ . 1 . 2]" 1
15 1 13 LYS H 1 13 LYS QB 4.957 2.479 5.948 2.631 2.446 3.322 0.033 20 0 "[ . 1 . 2]" 1
16 1 13 LYS H 1 13 LYS QG 6.139 3.069 8.367 2.980 2.636 3.133 0.433 16 0 "[ . 1 . 2]" 1
17 1 13 LYS H 1 13 LYS HA 2.794 . 3.353 2.927 2.814 2.950 . 0 0 "[ . 1 . 2]" 1
18 1 14 GLU HA 1 15 THR H . 2.221 2.612 2.447 2.206 2.744 0.132 7 0 "[ . 1 . 2]" 1
19 1 14 GLU HB2 1 15 THR H 6.476 3.238 7.771 4.616 4.506 4.680 . 0 0 "[ . 1 . 2]" 1
20 1 15 THR HA 1 15 THR HB 2.192 . 2.630 2.960 2.934 2.983 0.353 19 0 "[ . 1 . 2]" 1
21 1 15 THR HA 1 15 THR MG 2.259 . 2.711 2.310 2.097 2.494 . 0 0 "[ . 1 . 2]" 1
22 1 15 THR H 1 15 THR HA 2.854 . 3.425 2.842 2.819 2.901 . 0 0 "[ . 1 . 2]" 1
23 1 15 THR HB 1 15 THR MG 2.095 . 2.514 2.121 2.111 2.139 . 0 0 "[ . 1 . 2]" 1
24 1 15 THR H 1 15 THR HB 2.956 . 3.547 2.464 2.259 2.813 . 0 0 "[ . 1 . 2]" 1
25 1 15 THR H 1 15 THR MG . 2.951 3.326 3.693 3.584 3.775 0.449 18 0 "[ . 1 . 2]" 1
26 1 14 GLU QG 1 16 THR MG 3.134 . 3.761 3.647 2.905 3.997 0.236 18 0 "[ . 1 . 2]" 1
27 1 15 THR MG 1 16 THR H 3.000 . 3.600 2.803 2.263 3.228 . 0 0 "[ . 1 . 2]" 1
28 1 15 THR HB 1 16 THR H 3.238 . 3.886 4.105 3.587 4.264 0.378 16 0 "[ . 1 . 2]" 1
29 1 15 THR H 1 16 THR H 6.555 3.288 7.866 4.298 4.058 4.503 . 0 0 "[ . 1 . 2]" 1
30 1 15 THR HA 1 16 THR H 2.396 . 2.875 2.089 1.998 2.219 . 0 0 "[ . 1 . 2]" 1
31 1 16 THR HA 1 16 THR MG 2.184 . 3.621 3.034 2.314 3.223 . 0 0 "[ . 1 . 2]" 1
32 1 16 THR H 1 16 THR MG 2.461 . 2.953 2.133 1.912 2.452 . 0 0 "[ . 1 . 2]" 1
33 1 16 THR HA 1 16 THR HB 2.512 . 3.014 2.425 2.361 2.463 . 0 0 "[ . 1 . 2]" 1
34 1 16 THR HB 1 16 THR MG 2.166 . 2.599 2.125 2.091 2.140 . 0 0 "[ . 1 . 2]" 1
35 1 16 THR MG 1 18 TYR H 3.070 . 3.684 2.549 1.793 4.090 0.406 17 0 "[ . 1 . 2]" 1
36 1 16 THR H 1 19 ASP HB2 2.655 . 3.186 2.313 2.026 2.525 . 0 0 "[ . 1 . 2]" 1
37 1 16 THR MG 1 19 ASP H 3.445 . 4.134 2.288 1.713 3.883 0.009 5 0 "[ . 1 . 2]" 1
38 1 16 THR H 1 19 ASP HB3 3.311 . 3.973 2.024 1.684 2.228 0.036 9 0 "[ . 1 . 2]" 1
39 1 16 THR MG 1 19 ASP HB2 3.266 . 3.919 2.647 2.147 3.498 . 0 0 "[ . 1 . 2]" 1
40 1 16 THR HA 1 17 TYR H 2.593 2.159 3.112 2.531 2.306 2.660 . 0 0 "[ . 1 . 2]" 1
41 1 16 THR MG 1 17 TYR H 2.800 . 3.360 3.233 2.873 3.602 0.242 8 0 "[ . 1 . 2]" 1
42 1 16 THR HB 1 17 TYR H 2.797 . 3.356 3.263 2.221 3.551 0.195 9 0 "[ . 1 . 2]" 1
43 1 16 THR H 1 17 TYR H 6.879 3.439 8.000 4.425 4.286 4.532 . 0 0 "[ . 1 . 2]" 1
44 1 17 TYR H 1 17 TYR HA 2.986 . 3.583 2.833 2.815 2.858 . 0 0 "[ . 1 . 2]" 1
45 1 17 TYR HA 1 17 TYR HB2 2.895 . 3.474 3.027 3.005 3.044 . 0 0 "[ . 1 . 2]" 1
46 1 17 TYR HA 1 17 TYR HB3 2.720 . 3.264 2.500 2.417 2.598 . 0 0 "[ . 1 . 2]" 1
47 1 17 TYR H 1 17 TYR HB3 3.260 . 3.912 3.591 3.569 3.612 . 0 0 "[ . 1 . 2]" 1
48 1 17 TYR H 1 17 TYR HB2 3.128 . 3.754 2.489 2.329 2.638 . 0 0 "[ . 1 . 2]" 1
49 1 17 TYR HB3 1 18 TYR QD 2.956 . 3.547 3.775 3.676 3.854 0.307 12 0 "[ . 1 . 2]" 1
50 1 17 TYR HB2 1 18 TYR QD 2.961 . 3.553 2.579 2.236 3.419 . 0 0 "[ . 1 . 2]" 1
51 1 17 TYR H 1 18 TYR H 5.222 2.611 6.266 2.637 2.539 2.742 0.072 1 0 "[ . 1 . 2]" 1
52 1 17 TYR HB2 1 18 TYR H 5.790 2.895 6.948 2.815 2.726 2.959 0.169 4 0 "[ . 1 . 2]" 1
53 1 17 TYR H 1 19 ASP H 6.495 3.247 7.794 4.022 3.927 4.132 . 0 0 "[ . 1 . 2]" 1
54 1 17 TYR HA 1 20 VAL MG2 2.264 . 2.717 2.558 2.278 2.723 0.006 6 0 "[ . 1 . 2]" 1
55 1 17 TYR HA 1 20 VAL MG1 3.082 . 3.698 3.919 3.804 4.040 0.342 3 0 "[ . 1 . 2]" 1
56 1 17 TYR HA 1 20 VAL HB 2.724 . 3.269 2.672 2.461 2.913 . 0 0 "[ . 1 . 2]" 1
57 1 17 TYR HA 1 61 ALA MB 2.518 . 3.022 2.605 2.361 2.790 . 0 0 "[ . 1 . 2]" 1
58 1 17 TYR HB2 1 61 ALA MB 2.712 . 3.254 3.445 3.345 3.516 0.262 2 0 "[ . 1 . 2]" 1
59 1 17 TYR HB3 1 61 ALA MB 2.913 . 3.496 1.974 1.873 2.142 . 0 0 "[ . 1 . 2]" 1
60 1 17 TYR HB3 1 65 LEU MD2 2.869 . 3.443 2.975 2.673 3.273 . 0 0 "[ . 1 . 2]" 1
61 1 17 TYR HB2 1 65 LEU MD2 3.034 . 3.641 3.499 3.270 3.699 0.058 16 0 "[ . 1 . 2]" 1
62 1 17 TYR HA 1 65 LEU MD2 3.461 . 4.153 4.356 4.274 4.427 0.274 4 0 "[ . 1 . 2]" 1
63 1 17 TYR HB2 1 65 LEU MD1 3.247 . 3.896 2.981 2.521 3.401 . 0 0 "[ . 1 . 2]" 1
64 1 16 THR HA 1 18 TYR H 3.555 2.840 4.266 4.344 4.045 4.506 0.240 16 0 "[ . 1 . 2]" 1
65 1 16 THR HB 1 18 TYR H 5.321 2.661 6.385 4.059 2.530 4.540 0.131 1 0 "[ . 1 . 2]" 1
66 1 18 TYR HA 1 18 TYR HB2 2.771 . 3.325 3.012 3.000 3.031 . 0 0 "[ . 1 . 2]" 1
67 1 18 TYR HA 1 18 TYR HB3 2.576 . 3.091 2.500 2.418 2.550 . 0 0 "[ . 1 . 2]" 1
68 1 18 TYR H 1 18 TYR HB2 2.710 . 3.252 2.313 2.239 2.505 . 0 0 "[ . 1 . 2]" 1
69 1 18 TYR H 1 18 TYR HB3 2.612 . 3.134 3.489 3.465 3.531 0.397 14 0 "[ . 1 . 2]" 1
70 1 18 TYR H 1 18 TYR HA 2.522 . 3.026 2.820 2.806 2.834 . 0 0 "[ . 1 . 2]" 1
71 1 18 TYR H 1 19 ASP H 4.744 2.372 5.693 2.455 2.357 2.507 0.015 8 0 "[ . 1 . 2]" 1
72 1 18 TYR HA 1 23 VAL MG1 2.277 . 2.732 2.385 2.092 2.730 . 0 0 "[ . 1 . 2]" 1
73 1 18 TYR HB3 1 23 VAL MG1 2.450 . 2.940 2.655 2.384 2.801 . 0 0 "[ . 1 . 2]" 1
74 1 18 TYR H 1 23 VAL MG1 6.497 3.249 7.796 4.719 4.436 5.009 . 0 0 "[ . 1 . 2]" 1
75 1 18 TYR H 1 25 PRO HA 6.568 3.284 7.882 6.417 5.717 6.877 . 0 0 "[ . 1 . 2]" 1
76 1 18 TYR HA 1 65 LEU MD2 2.829 . 3.395 2.556 2.083 2.970 . 0 0 "[ . 1 . 2]" 1
77 1 18 TYR H 1 65 LEU MD2 5.930 2.965 7.116 3.857 3.494 4.238 . 0 0 "[ . 1 . 2]" 1
78 1 18 TYR H 1 65 LEU MD1 7.093 3.547 8.000 4.497 3.773 5.157 . 0 0 "[ . 1 . 2]" 1
79 1 15 THR HA 1 19 ASP HB3 3.147 . 3.776 2.658 2.160 3.281 . 0 0 "[ . 1 . 2]" 1
80 1 15 THR MG 1 19 ASP HB2 2.601 . 3.121 3.337 3.235 3.418 0.297 9 0 "[ . 1 . 2]" 1
81 1 15 THR HA 1 19 ASP HB2 3.311 . 3.973 3.159 2.555 4.097 0.124 1 0 "[ . 1 . 2]" 1
82 1 15 THR MG 1 19 ASP HB3 2.562 . 3.074 1.964 1.836 2.289 . 0 0 "[ . 1 . 2]" 1
83 1 15 THR MG 1 19 ASP H 3.371 . 4.045 4.071 3.964 4.184 0.139 9 0 "[ . 1 . 2]" 1
84 1 18 TYR HB3 1 19 ASP H 3.219 2.507 3.863 3.603 3.484 3.757 . 0 0 "[ . 1 . 2]" 1
85 1 18 TYR HB2 1 19 ASP H 3.208 2.573 3.850 2.650 2.537 2.755 0.036 12 0 "[ . 1 . 2]" 1
86 1 19 ASP HA 1 19 ASP HB3 2.587 . 3.104 3.041 3.027 3.053 . 0 0 "[ . 1 . 2]" 1
87 1 19 ASP H 1 19 ASP HB3 2.885 . 3.462 2.626 2.440 2.702 . 0 0 "[ . 1 . 2]" 1
88 1 19 ASP HA 1 19 ASP HB2 2.325 . 2.790 2.520 2.454 2.558 . 0 0 "[ . 1 . 2]" 1
89 1 19 ASP H 1 19 ASP HA 2.764 . 3.317 2.831 2.815 2.845 . 0 0 "[ . 1 . 2]" 1
90 1 19 ASP HB3 1 20 VAL MG2 3.022 . 3.626 3.238 3.050 3.340 . 0 0 "[ . 1 . 2]" 1
91 1 15 THR MG 1 20 VAL MG2 1.992 . 2.390 2.113 1.899 2.319 . 0 0 "[ . 1 . 2]" 1
92 1 15 THR MG 1 20 VAL H 3.138 . 3.766 3.028 2.712 3.321 . 0 0 "[ . 1 . 2]" 1
93 1 15 THR MG 1 20 VAL HA 3.366 . 4.039 3.217 2.796 3.887 . 0 0 "[ . 1 . 2]" 1
94 1 17 TYR HA 1 20 VAL H 5.598 2.799 6.718 3.348 3.226 3.554 . 0 0 "[ . 1 . 2]" 1
95 1 18 TYR H 1 20 VAL H 6.838 3.419 8.000 3.988 3.916 4.089 . 0 0 "[ . 1 . 2]" 1
96 1 19 ASP HA 1 20 VAL H 3.141 . 3.769 3.519 3.497 3.540 . 0 0 "[ . 1 . 2]" 1
97 1 19 ASP H 1 20 VAL H 5.370 2.685 6.444 2.604 2.561 2.654 0.124 4 0 "[ . 1 . 2]" 1
98 1 19 ASP HB2 1 20 VAL H 3.149 . 3.779 3.773 3.706 3.825 0.046 11 0 "[ . 1 . 2]" 1
99 1 19 ASP HB3 1 20 VAL H 2.923 . 3.508 2.586 2.392 2.699 . 0 0 "[ . 1 . 2]" 1
100 1 20 VAL HB 1 20 VAL MG2 2.035 . 2.442 2.108 2.100 2.118 . 0 0 "[ . 1 . 2]" 1
101 1 20 VAL HA 1 20 VAL HB 2.607 . 3.128 3.034 3.018 3.042 . 0 0 "[ . 1 . 2]" 1
102 1 20 VAL HA 1 20 VAL MG1 2.397 . 2.876 2.425 2.396 2.468 . 0 0 "[ . 1 . 2]" 1
103 1 20 VAL H 1 20 VAL HA 2.565 . 3.078 2.802 2.789 2.817 . 0 0 "[ . 1 . 2]" 1
104 1 20 VAL HB 1 20 VAL MG1 2.128 . 2.554 2.113 2.102 2.120 . 0 0 "[ . 1 . 2]" 1
105 1 20 VAL HA 1 20 VAL MG2 2.138 . 2.566 2.382 2.358 2.407 . 0 0 "[ . 1 . 2]" 1
106 1 20 VAL MG1 1 20 VAL MG2 1.827 . 2.192 2.059 2.040 2.079 . 0 0 "[ . 1 . 2]" 1
107 1 20 VAL H 1 20 VAL HB 2.624 . 3.149 2.562 2.490 2.598 . 0 0 "[ . 1 . 2]" 1
108 1 20 VAL H 1 20 VAL MG1 5.353 2.677 6.424 3.748 3.718 3.765 . 0 0 "[ . 1 . 2]" 1
109 1 20 VAL H 1 20 VAL MG2 2.104 . 2.525 1.973 1.919 2.039 . 0 0 "[ . 1 . 2]" 1
110 1 20 VAL HA 1 22 GLY H 6.126 3.063 7.351 3.840 3.727 3.941 . 0 0 "[ . 1 . 2]" 1
111 1 20 VAL MG2 1 57 GLN HA 2.923 . 4.508 4.324 4.119 4.485 . 0 0 "[ . 1 . 2]" 1
112 1 20 VAL HB 1 61 ALA MB 2.629 . 3.155 2.986 2.626 3.205 0.050 8 0 "[ . 1 . 2]" 1
113 1 20 VAL MG2 1 21 LEU H 2.764 . 3.317 3.691 3.627 3.754 0.437 1 0 "[ . 1 . 2]" 1
114 1 20 VAL HA 1 21 LEU H 3.117 . 3.740 3.492 3.474 3.506 . 0 0 "[ . 1 . 2]" 1
115 1 20 VAL H 1 21 LEU H 5.063 2.531 6.076 2.636 2.589 2.680 . 0 0 "[ . 1 . 2]" 1
116 1 20 VAL HB 1 21 LEU H 2.935 . 3.522 2.529 2.444 2.637 . 0 0 "[ . 1 . 2]" 1
117 1 21 LEU H 1 21 LEU HB2 2.905 . 3.486 2.329 2.266 2.512 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU HB3 1 21 LEU MD2 2.652 . 3.182 2.834 2.281 3.215 0.033 2 0 "[ . 1 . 2]" 1
119 1 21 LEU HB2 1 21 LEU MD1 2.638 . 3.166 2.839 2.304 3.205 0.039 15 0 "[ . 1 . 2]" 1
120 1 21 LEU HA 1 21 LEU HB3 2.547 . 3.056 2.771 2.598 3.011 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU HB3 1 21 LEU MD1 2.618 . 3.142 2.674 2.113 3.196 0.054 12 0 "[ . 1 . 2]" 1
122 1 21 LEU HA 1 21 LEU HB2 2.547 . 3.056 2.844 2.541 3.007 . 0 0 "[ . 1 . 2]" 1
123 1 21 LEU H 1 21 LEU HA 2.823 . 3.388 2.914 2.898 2.931 . 0 0 "[ . 1 . 2]" 1
124 1 21 LEU HA 1 21 LEU MD1 2.111 . 2.533 2.111 1.948 2.889 0.356 19 0 "[ . 1 . 2]" 1
125 1 21 LEU HB2 1 21 LEU MD2 2.508 . 3.010 2.468 2.384 2.901 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU H 1 21 LEU HG 4.273 2.137 5.128 4.257 3.531 4.579 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU H 1 21 LEU MD1 5.130 2.565 6.156 4.021 3.851 4.327 . 0 0 "[ . 1 . 2]" 1
128 1 21 LEU H 1 21 LEU HB3 2.950 . 3.540 3.229 2.582 3.582 0.042 16 0 "[ . 1 . 2]" 1
129 1 21 LEU H 1 22 GLY QA 3.422 . 4.106 4.284 4.241 4.332 0.226 8 0 "[ . 1 . 2]" 1
130 1 21 LEU H 1 22 GLY H 4.558 2.279 5.470 2.400 2.336 2.458 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU H 1 23 VAL H 6.319 3.160 7.583 3.973 3.783 4.216 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU MD1 1 36 TYR HB3 3.071 . 3.685 3.656 3.510 3.758 0.073 8 0 "[ . 1 . 2]" 1
133 1 21 LEU MD1 1 36 TYR HA 2.378 . 2.854 2.483 2.253 2.750 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU HG 1 61 ALA MB 2.530 . 4.036 3.797 2.541 4.394 0.358 20 0 "[ . 1 . 2]" 1
135 1 21 LEU H 1 61 ALA MB 6.098 3.049 7.318 3.846 3.300 4.281 . 0 0 "[ . 1 . 2]" 1
136 1 21 LEU MD2 1 62 TYR HA 2.651 . 3.181 3.243 2.883 3.454 0.273 19 0 "[ . 1 . 2]" 1
137 1 18 TYR H 1 22 GLY H 6.413 3.207 7.696 6.056 5.955 6.311 . 0 0 "[ . 1 . 2]" 1
138 1 19 ASP HA 1 22 GLY QA 3.093 . 3.712 3.256 2.990 3.486 . 0 0 "[ . 1 . 2]" 1
139 1 19 ASP HA 1 22 GLY H 2.710 . 3.252 3.268 3.114 3.420 0.168 18 0 "[ . 1 . 2]" 1
140 1 21 LEU HA 1 22 GLY H 3.091 . 3.709 3.324 3.295 3.357 . 0 0 "[ . 1 . 2]" 1
141 1 22 GLY H 1 22 GLY QA 2.161 . 2.593 2.179 2.166 2.185 . 0 0 "[ . 1 . 2]" 1
142 1 22 GLY QA 1 23 VAL HA 3.654 . 4.385 3.986 3.956 4.012 . 0 0 "[ . 1 . 2]" 1
143 1 22 GLY QA 1 39 LEU MD1 3.272 . 3.926 3.629 3.310 3.918 . 0 0 "[ . 1 . 2]" 1
144 1 18 TYR HB3 1 23 VAL H 6.436 3.218 7.723 3.851 3.682 4.095 . 0 0 "[ . 1 . 2]" 1
145 1 18 TYR HB2 1 23 VAL H 6.817 3.409 8.000 5.081 4.923 5.390 . 0 0 "[ . 1 . 2]" 1
146 1 19 ASP HA 1 23 VAL H 6.113 3.057 7.336 3.745 3.363 4.067 . 0 0 "[ . 1 . 2]" 1
147 1 22 GLY QA 1 23 VAL H 5.183 2.591 6.220 2.691 2.611 2.740 . 0 0 "[ . 1 . 2]" 1
148 1 23 VAL MG1 1 23 VAL MG2 1.921 . 2.305 2.100 2.074 2.128 . 0 0 "[ . 1 . 2]" 1
149 1 23 VAL H 1 23 VAL HB 3.442 . 4.130 2.719 2.627 2.878 . 0 0 "[ . 1 . 2]" 1
150 1 23 VAL H 1 23 VAL MG1 2.073 . 2.488 2.503 2.402 2.588 0.100 7 0 "[ . 1 . 2]" 1
151 1 23 VAL HB 1 23 VAL MG2 2.015 . 2.418 2.112 2.100 2.119 . 0 0 "[ . 1 . 2]" 1
152 1 23 VAL HB 1 23 VAL MG1 2.088 . 2.506 2.098 2.089 2.109 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL HA 1 23 VAL MG1 2.562 . 3.074 3.167 3.139 3.181 0.107 9 0 "[ . 1 . 2]" 1
154 1 23 VAL HA 1 23 VAL HB 2.215 . 2.658 2.652 2.627 2.680 0.022 10 0 "[ . 1 . 2]" 1
155 1 23 VAL HA 1 23 VAL MG2 2.105 . 2.526 2.227 2.182 2.260 . 0 0 "[ . 1 . 2]" 1
156 1 23 VAL H 1 23 VAL HA 5.300 2.650 6.360 2.938 2.929 2.949 . 0 0 "[ . 1 . 2]" 1
157 1 23 VAL MG1 1 31 GLU QG 3.132 . 3.758 3.960 3.832 4.052 0.294 10 0 "[ . 1 . 2]" 1
158 1 23 VAL MG2 1 32 LEU HA 2.478 . 2.974 2.558 2.263 2.951 . 0 0 "[ . 1 . 2]" 1
159 1 23 VAL MG1 1 65 LEU MD2 2.725 . 3.270 2.721 2.329 3.056 . 0 0 "[ . 1 . 2]" 1
160 1 23 VAL MG1 1 24 LYS H 2.577 . 3.092 2.751 2.473 3.033 . 0 0 "[ . 1 . 2]" 1
161 1 23 VAL HA 1 24 LYS H 2.134 . 2.561 2.445 2.345 2.557 . 0 0 "[ . 1 . 2]" 1
162 1 23 VAL MG2 1 24 LYS H 2.549 . 3.059 1.897 1.712 2.094 0.008 2 0 "[ . 1 . 2]" 1
163 1 24 LYS H 1 24 LYS HB2 2.824 . 3.389 2.454 2.395 2.532 . 0 0 "[ . 1 . 2]" 1
164 1 24 LYS H 1 24 LYS HA 2.913 . 3.496 2.889 2.874 2.904 . 0 0 "[ . 1 . 2]" 1
165 1 24 LYS HA 1 24 LYS HB3 2.556 . 3.067 2.468 2.419 2.496 . 0 0 "[ . 1 . 2]" 1
166 1 24 LYS HA 1 24 LYS HB2 2.516 . 3.019 3.015 3.004 3.025 0.006 6 0 "[ . 1 . 2]" 1
167 1 24 LYS H 1 24 LYS HB3 2.907 . 3.488 3.605 3.587 3.630 0.142 4 0 "[ . 1 . 2]" 1
168 1 24 LYS HB3 1 25 PRO HD3 2.916 . 3.499 2.882 2.808 2.936 . 0 0 "[ . 1 . 2]" 1
169 1 24 LYS HB2 1 25 PRO HD2 3.105 . 3.726 3.804 3.753 3.875 0.149 8 0 "[ . 1 . 2]" 1
170 1 24 LYS HB3 1 25 PRO HD2 2.745 . 3.294 2.246 2.170 2.346 . 0 0 "[ . 1 . 2]" 1
171 1 24 LYS HB2 1 25 PRO HD3 3.333 . 4.000 4.141 4.103 4.171 0.171 17 0 "[ . 1 . 2]" 1
172 1 24 LYS HA 1 25 PRO HD3 2.215 . 2.658 1.884 1.838 1.918 . 0 0 "[ . 1 . 2]" 1
173 1 24 LYS HA 1 25 PRO HD2 2.358 . 2.830 2.960 2.921 3.004 0.174 15 0 "[ . 1 . 2]" 1
174 1 24 LYS H 1 26 ASN H 6.987 3.493 8.000 4.650 4.445 4.838 . 0 0 "[ . 1 . 2]" 1
175 1 24 LYS H 1 27 ALA MB 2.595 . 3.114 2.382 2.058 2.728 . 0 0 "[ . 1 . 2]" 1
176 1 25 PRO HA 1 25 PRO HB2 2.371 . 2.845 2.932 2.912 2.952 0.107 1 0 "[ . 1 . 2]" 1
177 1 25 PRO HA 1 25 PRO HB3 2.289 . 2.747 2.279 2.265 2.298 . 0 0 "[ . 1 . 2]" 1
178 1 25 PRO HB2 1 25 PRO HD2 2.479 . 2.975 2.981 2.910 3.051 0.076 3 0 "[ . 1 . 2]" 1
179 1 24 LYS HB3 1 26 ASN H 3.068 . 3.682 2.541 2.247 2.716 . 0 0 "[ . 1 . 2]" 1
180 1 24 LYS HB2 1 26 ASN H 3.319 . 3.983 2.931 2.780 3.095 . 0 0 "[ . 1 . 2]" 1
181 1 25 PRO HD2 1 26 ASN H 3.065 . 3.678 2.671 2.482 2.958 . 0 0 "[ . 1 . 2]" 1
182 1 25 PRO HA 1 26 ASN H 2.999 . 3.599 3.405 3.352 3.464 . 0 0 "[ . 1 . 2]" 1
183 1 26 ASN H 1 26 ASN HA 2.621 . 3.145 2.935 2.923 2.947 . 0 0 "[ . 1 . 2]" 1
184 1 26 ASN HA 1 26 ASN HB3 2.296 . 2.755 2.522 2.419 3.006 0.251 2 0 "[ . 1 . 2]" 1
185 1 26 ASN H 1 26 ASN HB2 3.017 . 3.620 3.116 2.418 3.754 0.134 12 0 "[ . 1 . 2]" 1
186 1 26 ASN HA 1 26 ASN HB2 2.308 . 2.770 2.701 2.422 3.004 0.234 18 0 "[ . 1 . 2]" 1
187 1 26 ASN H 1 26 ASN HB3 3.267 . 3.920 3.289 2.711 3.691 . 0 0 "[ . 1 . 2]" 1
188 1 26 ASN H 1 27 ALA MB 2.874 . 3.449 3.665 3.594 3.713 0.264 1 0 "[ . 1 . 2]" 1
189 1 23 VAL MG1 1 27 ALA MB 2.158 . 2.590 2.402 2.199 2.628 0.038 12 0 "[ . 1 . 2]" 1
190 1 23 VAL HA 1 27 ALA MB 2.825 . 4.390 4.033 3.910 4.139 . 0 0 "[ . 1 . 2]" 1
191 1 23 VAL MG1 1 27 ALA H 6.205 3.103 7.446 3.831 3.669 4.088 . 0 0 "[ . 1 . 2]" 1
192 1 24 LYS HB2 1 27 ALA H 5.887 2.944 7.064 3.238 2.875 3.679 0.069 4 0 "[ . 1 . 2]" 1
193 1 24 LYS H 1 27 ALA H 6.703 3.351 8.000 4.181 4.000 4.321 . 0 0 "[ . 1 . 2]" 1
194 1 26 ASN HA 1 27 ALA H 2.798 . 3.358 3.091 2.982 3.153 . 0 0 "[ . 1 . 2]" 1
195 1 26 ASN H 1 27 ALA HA 3.493 . 4.192 4.335 4.237 4.416 0.224 13 0 "[ . 1 . 2]" 1
196 1 26 ASN HB3 1 27 ALA H 6.324 3.162 7.589 4.384 3.951 4.562 . 0 0 "[ . 1 . 2]" 1
197 1 26 ASN H 1 27 ALA H 4.303 2.151 5.164 2.252 2.181 2.345 . 0 0 "[ . 1 . 2]" 1
198 1 27 ALA HA 1 27 ALA MB 2.000 . 2.400 2.116 2.107 2.124 . 0 0 "[ . 1 . 2]" 1
199 1 27 ALA H 1 27 ALA MB 1.982 . 2.378 2.160 2.133 2.182 . 0 0 "[ . 1 . 2]" 1
200 1 27 ALA H 1 27 ALA HA 2.486 . 2.983 2.813 2.791 2.837 . 0 0 "[ . 1 . 2]" 1
201 1 27 ALA HA 1 28 THR MG 2.498 . 2.998 3.228 3.203 3.269 0.271 2 0 "[ . 1 . 2]" 1
202 1 27 ALA H 1 29 GLN HA 6.658 3.329 7.990 7.913 7.742 8.089 0.099 7 0 "[ . 1 . 2]" 1
203 1 27 ALA HA 1 31 GLU HB2 3.126 . 3.751 3.831 3.669 3.956 0.205 14 0 "[ . 1 . 2]" 1
204 1 27 ALA MB 1 31 GLU QG 2.721 . 3.265 1.978 1.828 2.199 . 0 0 "[ . 1 . 2]" 1
205 1 27 ALA MB 1 32 LEU HA 2.921 . 3.505 3.722 3.643 3.807 0.302 1 0 "[ . 1 . 2]" 1
206 1 27 ALA MB 1 28 THR H 2.355 . 2.826 2.673 2.598 2.761 . 0 0 "[ . 1 . 2]" 1
207 1 27 ALA HA 1 28 THR H 2.049 . 2.459 2.185 2.143 2.213 . 0 0 "[ . 1 . 2]" 1
208 1 27 ALA H 1 28 THR H 6.080 3.040 7.296 4.549 4.523 4.566 . 0 0 "[ . 1 . 2]" 1
209 1 28 THR HB 1 28 THR MG 2.025 . 2.430 2.109 2.104 2.114 . 0 0 "[ . 1 . 2]" 1
210 1 28 THR HA 1 28 THR HB 2.221 . 2.665 2.419 2.401 2.452 . 0 0 "[ . 1 . 2]" 1
211 1 28 THR H 1 28 THR HA 2.731 . 3.277 2.880 2.857 2.897 . 0 0 "[ . 1 . 2]" 1
212 1 28 THR HA 1 28 THR MG 2.128 . 2.554 2.361 2.330 2.387 . 0 0 "[ . 1 . 2]" 1
213 1 28 THR H 1 28 THR MG 2.086 . 2.503 2.032 1.969 2.084 . 0 0 "[ . 1 . 2]" 1
214 1 28 THR H 1 28 THR HB 6.140 3.070 7.368 3.602 3.582 3.626 . 0 0 "[ . 1 . 2]" 1
215 1 28 THR HB 1 29 GLN QB 3.248 . 3.898 3.746 3.610 3.867 . 0 0 "[ . 1 . 2]" 1
216 1 28 THR HA 1 29 GLN QB 3.250 . 3.900 4.166 4.098 4.303 0.403 15 0 "[ . 1 . 2]" 1
217 1 28 THR H 1 29 GLN H 6.556 3.278 7.867 4.496 4.475 4.514 . 0 0 "[ . 1 . 2]" 1
218 1 28 THR MG 1 29 GLN H 2.848 . 3.418 3.646 3.581 3.689 0.271 8 0 "[ . 1 . 2]" 1
219 1 28 THR HB 1 30 GLU HB3 3.443 . 4.132 3.596 3.392 3.951 . 0 0 "[ . 1 . 2]" 1
220 1 28 THR HB 1 30 GLU HB2 3.336 . 4.003 4.094 3.772 4.216 0.213 20 0 "[ . 1 . 2]" 1
221 1 28 THR H 1 30 GLU H 5.819 2.909 6.983 4.734 4.659 4.801 . 0 0 "[ . 1 . 2]" 1
222 1 28 THR H 1 31 GLU HB3 2.830 . 3.396 1.928 1.862 2.014 . 0 0 "[ . 1 . 2]" 1
223 1 28 THR MG 1 31 GLU HB3 2.730 . 3.276 3.593 3.535 3.641 0.365 14 0 "[ . 1 . 2]" 1
224 1 28 THR H 1 31 GLU QG 3.374 . 4.049 3.308 2.864 3.786 . 0 0 "[ . 1 . 2]" 1
225 1 28 THR H 1 31 GLU HB2 3.025 . 3.630 2.473 2.325 2.672 . 0 0 "[ . 1 . 2]" 1
226 1 28 THR HA 1 29 GLN H 2.455 . 2.946 2.296 2.256 2.318 . 0 0 "[ . 1 . 2]" 1
227 1 28 THR HB 1 29 GLN H 3.911 . 4.693 2.362 2.291 2.443 . 0 0 "[ . 1 . 2]" 1
228 1 29 GLN H 1 29 GLN QG 3.296 . 3.955 3.876 2.495 4.017 0.062 12 0 "[ . 1 . 2]" 1
229 1 29 GLN QB 1 29 GLN QG 2.111 . 2.533 2.060 1.991 2.099 . 0 0 "[ . 1 . 2]" 1
230 1 29 GLN HA 1 29 GLN QB 2.342 . 2.810 2.372 2.316 2.456 . 0 0 "[ . 1 . 2]" 1
231 1 29 GLN H 1 29 GLN QB 2.787 . 3.344 2.196 2.125 2.234 . 0 0 "[ . 1 . 2]" 1
232 1 29 GLN HA 1 29 GLN QG 2.999 . 3.599 2.515 2.300 3.001 . 0 0 "[ . 1 . 2]" 1
233 1 29 GLN H 1 29 GLN HA 2.903 . 3.484 2.769 2.749 2.782 . 0 0 "[ . 1 . 2]" 1
234 1 28 THR MG 1 30 GLU H 3.078 . 3.694 4.018 3.967 4.068 0.374 20 0 "[ . 1 . 2]" 1
235 1 28 THR HB 1 30 GLU H 3.996 . 4.795 2.589 2.532 2.692 . 0 0 "[ . 1 . 2]" 1
236 1 28 THR HA 1 30 GLU H 5.624 2.812 6.749 4.067 3.989 4.155 . 0 0 "[ . 1 . 2]" 1
237 1 29 GLN HA 1 30 GLU H 2.701 2.417 3.241 3.481 3.466 3.497 0.256 7 0 "[ . 1 . 2]" 1
238 1 29 GLN QB 1 30 GLU H 3.073 2.159 3.688 2.631 2.524 2.732 . 0 0 "[ . 1 . 2]" 1
239 1 29 GLN QG 1 30 GLU H 6.614 3.307 7.937 3.911 3.585 4.500 . 0 0 "[ . 1 . 2]" 1
240 1 29 GLN H 1 30 GLU H 5.807 2.903 6.968 2.683 2.638 2.718 0.265 3 0 "[ . 1 . 2]" 1
241 1 30 GLU HA 1 30 GLU QG 2.446 . 2.935 2.539 2.311 2.985 0.050 11 0 "[ . 1 . 2]" 1
242 1 30 GLU H 1 30 GLU HB3 2.800 . 3.360 2.521 2.399 2.696 . 0 0 "[ . 1 . 2]" 1
243 1 30 GLU H 1 30 GLU QG 2.834 . 4.401 3.963 3.919 4.039 . 0 0 "[ . 1 . 2]" 1
244 1 23 VAL MG2 1 31 GLU HB2 2.963 . 4.556 4.306 4.171 4.507 . 0 0 "[ . 1 . 2]" 1
245 1 27 ALA MB 1 31 GLU HB3 2.942 . 3.530 2.055 1.951 2.158 . 0 0 "[ . 1 . 2]" 1
246 1 27 ALA HA 1 31 GLU H 6.644 3.322 7.973 5.239 5.142 5.333 . 0 0 "[ . 1 . 2]" 1
247 1 28 THR HA 1 31 GLU HB3 3.292 . 3.950 4.177 4.089 4.275 0.325 14 0 "[ . 1 . 2]" 1
248 1 28 THR HA 1 31 GLU H 6.906 3.453 8.000 4.247 4.207 4.298 . 0 0 "[ . 1 . 2]" 1
249 1 28 THR HB 1 31 GLU H 5.444 2.722 6.533 3.433 3.373 3.544 . 0 0 "[ . 1 . 2]" 1
250 1 28 THR H 1 31 GLU H 6.387 3.194 7.664 3.234 3.180 3.301 0.014 9 0 "[ . 1 . 2]" 1
251 1 28 THR MG 1 31 GLU H 3.078 . 3.694 3.702 3.652 3.768 0.074 6 0 "[ . 1 . 2]" 1
252 1 30 GLU HB3 1 31 GLU H 2.989 . 3.587 2.478 2.338 2.680 . 0 0 "[ . 1 . 2]" 1
253 1 30 GLU QG 1 31 GLU H 3.203 . 3.844 3.692 3.478 3.919 0.075 5 0 "[ . 1 . 2]" 1
254 1 30 GLU H 1 31 GLU H 5.095 2.547 6.114 2.524 2.490 2.550 0.057 5 0 "[ . 1 . 2]" 1
255 1 31 GLU HB2 1 31 GLU QG 2.466 . 2.959 2.395 2.340 2.459 . 0 0 "[ . 1 . 2]" 1
256 1 31 GLU HB3 1 31 GLU QG 1.945 . 2.334 2.200 2.146 2.274 . 0 0 "[ . 1 . 2]" 1
257 1 31 GLU HA 1 31 GLU HB3 2.379 . 2.855 3.023 3.014 3.034 0.179 6 0 "[ . 1 . 2]" 1
258 1 31 GLU HA 1 31 GLU QG 2.709 . 3.251 2.567 2.312 2.930 . 0 0 "[ . 1 . 2]" 1
259 1 31 GLU HA 1 31 GLU HB2 2.600 . 3.120 2.458 2.418 2.482 . 0 0 "[ . 1 . 2]" 1
260 1 31 GLU H 1 31 GLU QG 2.977 2.655 3.572 3.908 3.871 3.944 0.372 7 0 "[ . 1 . 2]" 1
261 1 31 GLU H 1 31 GLU HB3 2.788 . 3.346 2.452 2.396 2.496 . 0 0 "[ . 1 . 2]" 1
262 1 31 GLU H 1 32 LEU H 4.646 2.323 5.455 2.602 2.563 2.673 . 0 0 "[ . 1 . 2]" 1
263 1 31 GLU HA 1 34 LYS QB 1.923 . 2.308 2.303 2.047 2.420 0.112 15 0 "[ . 1 . 2]" 1
264 1 23 VAL MG2 1 32 LEU MD2 2.725 . 4.270 4.430 4.309 4.523 0.253 15 0 "[ . 1 . 2]" 1
265 1 27 ALA MB 1 32 LEU MD2 2.364 . 3.837 3.520 3.419 3.643 . 0 0 "[ . 1 . 2]" 1
266 1 27 ALA MB 1 32 LEU MD1 2.146 . 2.575 1.845 1.803 1.923 . 0 0 "[ . 1 . 2]" 1
267 1 27 ALA MB 1 32 LEU H 2.887 . 3.464 3.511 3.442 3.573 0.109 17 0 "[ . 1 . 2]" 1
268 1 28 THR HB 1 32 LEU H 6.864 3.432 8.000 5.154 5.093 5.215 . 0 0 "[ . 1 . 2]" 1
269 1 31 GLU HB3 1 32 LEU H 4.902 2.451 5.882 2.683 2.581 2.797 . 0 0 "[ . 1 . 2]" 1
270 1 32 LEU HA 1 32 LEU MD1 2.235 . 2.682 1.914 1.837 1.991 . 0 0 "[ . 1 . 2]" 1
271 1 32 LEU MD2 1 32 LEU HG 2.187 . 2.624 2.115 2.099 2.124 . 0 0 "[ . 1 . 2]" 1
272 1 32 LEU HA 1 32 LEU HG 2.230 . 2.676 2.984 2.896 3.058 0.382 11 0 "[ . 1 . 2]" 1
273 1 32 LEU HA 1 32 LEU HB3 2.241 . 2.689 2.581 2.560 2.603 . 0 0 "[ . 1 . 2]" 1
274 1 32 LEU HB2 1 32 LEU HG 2.328 . 2.794 2.895 2.865 2.923 0.129 12 0 "[ . 1 . 2]" 1
275 1 32 LEU HB3 1 32 LEU HG 2.278 . 2.734 2.219 2.198 2.242 . 0 0 "[ . 1 . 2]" 1
276 1 32 LEU H 1 32 LEU HA 2.669 . 3.203 2.784 2.769 2.796 . 0 0 "[ . 1 . 2]" 1
277 1 32 LEU HA 1 32 LEU HB2 2.698 . 3.238 2.973 2.954 2.981 . 0 0 "[ . 1 . 2]" 1
278 1 32 LEU HB2 1 32 LEU MD2 2.910 . 3.492 2.153 2.117 2.172 . 0 0 "[ . 1 . 2]" 1
279 1 32 LEU H 1 32 LEU HB2 2.732 . 3.278 2.290 2.274 2.311 . 0 0 "[ . 1 . 2]" 1
280 1 32 LEU H 1 32 LEU HB3 5.090 2.545 6.108 3.522 3.511 3.539 . 0 0 "[ . 1 . 2]" 1
281 1 32 LEU H 1 33 LYS QB 4.955 2.477 5.946 4.607 4.303 5.128 . 0 0 "[ . 1 . 2]" 1
282 1 32 LEU HG 1 65 LEU MD1 2.791 . 4.349 4.093 3.818 4.363 0.014 7 0 "[ . 1 . 2]" 1
283 1 32 LEU HG 1 65 LEU MD2 2.770 . 4.324 2.565 2.269 3.129 . 0 0 "[ . 1 . 2]" 1
284 1 32 LEU HG 1 71 ARG HD2 3.323 . 3.988 3.923 3.199 4.130 0.142 11 0 "[ . 1 . 2]" 1
285 1 31 GLU H 1 33 LYS H 5.401 2.701 6.481 4.231 4.116 4.348 . 0 0 "[ . 1 . 2]" 1
286 1 32 LEU H 1 33 LYS H 4.595 2.297 5.514 2.741 2.665 2.838 . 0 0 "[ . 1 . 2]" 1
287 1 32 LEU HG 1 33 LYS H 6.248 3.124 7.498 5.113 5.019 5.203 . 0 0 "[ . 1 . 2]" 1
288 1 32 LEU MD2 1 33 LYS H 5.375 2.688 6.450 4.293 4.193 4.387 . 0 0 "[ . 1 . 2]" 1
289 1 32 LEU HB3 1 33 LYS H 5.249 2.624 6.299 3.271 3.145 3.338 . 0 0 "[ . 1 . 2]" 1
290 1 32 LEU HB2 1 33 LYS H 2.855 . 3.426 2.628 2.557 2.750 . 0 0 "[ . 1 . 2]" 1
291 1 33 LYS QB 1 33 LYS QE 3.182 . 3.818 3.415 1.937 3.645 . 0 0 "[ . 1 . 2]" 1
292 1 33 LYS HA 1 33 LYS QB 2.218 . 2.662 2.376 2.182 2.427 . 0 0 "[ . 1 . 2]" 1
293 1 33 LYS H 1 33 LYS QB 2.222 . 2.666 2.334 2.174 2.569 . 0 0 "[ . 1 . 2]" 1
294 1 33 LYS H 1 33 LYS HA 4.371 2.186 5.245 2.822 2.806 2.841 . 0 0 "[ . 1 . 2]" 1
295 1 33 LYS H 1 34 LYS QB 5.401 2.701 6.481 4.396 4.154 4.693 . 0 0 "[ . 1 . 2]" 1
296 1 33 LYS H 1 37 ARG H 5.054 2.527 6.065 6.119 5.897 6.254 0.189 6 0 "[ . 1 . 2]" 1
297 1 33 LYS QB 1 34 LYS H 4.467 2.234 5.360 2.624 2.415 3.516 . 0 0 "[ . 1 . 2]" 1
298 1 34 LYS H 1 34 LYS QB 3.966 . 4.759 2.281 2.157 2.498 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU HA 1 35 ALA MB 2.811 . 3.373 3.627 3.471 3.823 0.450 18 0 "[ . 1 . 2]" 1
300 1 23 VAL HB 1 35 ALA MB 2.901 . 3.481 2.470 2.126 2.596 . 0 0 "[ . 1 . 2]" 1
301 1 23 VAL MG2 1 35 ALA HA 3.364 . 4.037 4.195 4.101 4.279 0.242 13 0 "[ . 1 . 2]" 1
302 1 23 VAL MG2 1 35 ALA MB 2.017 . 2.329 2.191 2.073 2.340 0.011 8 0 "[ . 1 . 2]" 1
303 1 32 LEU HA 1 35 ALA MB 2.363 . 2.836 2.874 2.731 2.978 0.142 7 0 "[ . 1 . 2]" 1
304 1 35 ALA HA 1 35 ALA MB 1.999 . 2.399 2.140 2.131 2.149 . 0 0 "[ . 1 . 2]" 1
305 1 35 ALA H 1 35 ALA HA 2.513 . 3.016 2.806 2.790 2.826 . 0 0 "[ . 1 . 2]" 1
306 1 35 ALA H 1 35 ALA MB 2.062 . 2.474 2.239 2.209 2.266 . 0 0 "[ . 1 . 2]" 1
307 1 35 ALA H 1 36 TYR H 4.646 2.323 5.575 2.725 2.650 2.802 . 0 0 "[ . 1 . 2]" 1
308 1 35 ALA HA 1 38 LYS HB3 2.477 . 2.972 2.966 2.626 3.150 0.178 13 0 "[ . 1 . 2]" 1
309 1 21 LEU MD1 1 36 TYR H 3.113 2.877 3.736 2.992 2.803 3.324 0.074 3 0 "[ . 1 . 2]" 1
310 1 21 LEU MD2 1 36 TYR H 6.066 3.033 7.279 4.587 3.101 5.668 . 0 0 "[ . 1 . 2]" 1
311 1 33 LYS HA 1 36 TYR HB3 3.023 . 3.628 2.810 2.491 3.151 . 0 0 "[ . 1 . 2]" 1
312 1 33 LYS HA 1 36 TYR H 5.610 2.805 6.732 3.510 3.300 3.754 . 0 0 "[ . 1 . 2]" 1
313 1 35 ALA HA 1 36 TYR H 3.098 . 3.718 3.539 3.514 3.571 . 0 0 "[ . 1 . 2]" 1
314 1 35 ALA MB 1 36 TYR H 2.368 . 2.842 2.396 2.307 2.481 . 0 0 "[ . 1 . 2]" 1
315 1 36 TYR H 1 36 TYR HB2 2.790 . 3.348 2.637 2.593 2.701 . 0 0 "[ . 1 . 2]" 1
316 1 36 TYR HA 1 36 TYR HB3 2.508 . 3.010 3.016 3.008 3.023 0.013 2 0 "[ . 1 . 2]" 1
317 1 36 TYR HA 1 36 TYR HB2 2.909 . 3.491 2.394 2.373 2.419 . 0 0 "[ . 1 . 2]" 1
318 1 36 TYR H 1 36 TYR HA 2.723 . 3.268 2.793 2.783 2.802 . 0 0 "[ . 1 . 2]" 1
319 1 36 TYR H 1 36 TYR HB3 2.686 . 3.223 2.438 2.398 2.506 . 0 0 "[ . 1 . 2]" 1
320 1 36 TYR HB2 1 61 ALA H 6.726 3.363 8.000 7.740 7.252 8.145 0.145 2 0 "[ . 1 . 2]" 1
321 1 35 ALA H 1 37 ARG H 5.624 2.812 6.749 4.192 4.070 4.315 . 0 0 "[ . 1 . 2]" 1
322 1 36 TYR HB2 1 37 ARG H 4.909 2.454 5.891 3.920 3.862 4.006 . 0 0 "[ . 1 . 2]" 1
323 1 36 TYR H 1 37 ARG H 4.484 2.242 5.381 2.756 2.691 2.811 . 0 0 "[ . 1 . 2]" 1
324 1 37 ARG H 1 37 ARG HB2 2.768 . 3.322 2.465 2.317 2.667 . 0 0 "[ . 1 . 2]" 1
325 1 37 ARG H 1 37 ARG HA 2.540 . 3.048 2.800 2.776 2.820 . 0 0 "[ . 1 . 2]" 1
326 1 37 ARG HA 1 37 ARG QB 2.252 . 2.702 2.369 2.326 2.418 . 0 0 "[ . 1 . 2]" 1
327 1 37 ARG HA 1 37 ARG QG 2.686 . 3.223 2.436 2.304 2.515 . 0 0 "[ . 1 . 2]" 1
328 1 37 ARG HA 1 37 ARG HB2 2.842 . 3.410 2.550 2.418 3.008 . 0 0 "[ . 1 . 2]" 1
329 1 37 ARG H 1 37 ARG HB3 2.599 . 3.119 2.710 2.504 3.505 0.386 2 0 "[ . 1 . 2]" 1
330 1 37 ARG HA 1 37 ARG QD 3.023 . 4.628 4.054 3.922 4.263 . 0 0 "[ . 1 . 2]" 1
331 1 37 ARG HA 1 37 ARG HB3 2.624 . 3.149 2.947 2.505 3.031 . 0 0 "[ . 1 . 2]" 1
332 1 37 ARG H 1 37 ARG QB 3.877 . 4.652 2.254 2.218 2.296 . 0 0 "[ . 1 . 2]" 1
333 1 37 ARG H 1 37 ARG QD 6.539 3.269 7.847 4.400 3.662 4.743 . 0 0 "[ . 1 . 2]" 1
334 1 37 ARG H 1 38 LYS H 4.688 2.344 5.626 2.715 2.628 2.776 . 0 0 "[ . 1 . 2]" 1
335 1 37 ARG H 1 39 LEU H 5.901 2.950 7.081 4.297 4.235 4.352 . 0 0 "[ . 1 . 2]" 1
336 1 37 ARG H 1 41 LEU QD 6.596 3.298 7.915 5.760 5.468 6.026 . 0 0 "[ . 1 . 2]" 1
337 1 35 ALA HA 1 38 LYS H 2.917 . 3.500 3.618 3.578 3.684 0.184 10 0 "[ . 1 . 2]" 1
338 1 36 TYR H 1 38 LYS H 6.211 3.106 7.453 4.232 4.121 4.306 . 0 0 "[ . 1 . 2]" 1
339 1 37 ARG HA 1 38 LYS H 3.165 . 3.798 3.538 3.516 3.559 . 0 0 "[ . 1 . 2]" 1
340 1 38 LYS HA 1 38 LYS QB 2.005 . 2.406 2.357 2.303 2.390 . 0 0 "[ . 1 . 2]" 1
341 1 38 LYS H 1 38 LYS QB 2.230 . 2.676 2.214 2.166 2.253 . 0 0 "[ . 1 . 2]" 1
342 1 38 LYS H 1 38 LYS HA 2.480 . 2.976 2.816 2.797 2.829 . 0 0 "[ . 1 . 2]" 1
343 1 38 LYS H 1 39 LEU H 4.533 2.267 5.440 2.703 2.654 2.772 . 0 0 "[ . 1 . 2]" 1
344 1 38 LYS H 1 41 LEU H 5.206 2.603 6.247 4.908 4.792 5.058 . 0 0 "[ . 1 . 2]" 1
345 1 36 TYR HA 1 39 LEU HG 2.775 . 3.330 3.283 3.114 3.403 0.073 18 0 "[ . 1 . 2]" 1
346 1 36 TYR HA 1 39 LEU HB2 3.171 . 3.805 2.994 2.874 3.149 . 0 0 "[ . 1 . 2]" 1
347 1 36 TYR HA 1 39 LEU H 3.013 . 3.616 3.579 3.502 3.656 0.040 10 0 "[ . 1 . 2]" 1
348 1 36 TYR H 1 39 LEU H 6.254 3.127 7.505 4.844 4.784 4.909 . 0 0 "[ . 1 . 2]" 1
349 1 39 LEU H 1 39 LEU HB2 2.738 . 3.286 2.587 2.563 2.611 . 0 0 "[ . 1 . 2]" 1
350 1 39 LEU HA 1 39 LEU HB2 2.194 . 2.633 2.967 2.960 2.976 0.343 8 0 "[ . 1 . 2]" 1
351 1 39 LEU HA 1 39 LEU HB3 2.665 . 3.198 2.372 2.355 2.396 . 0 0 "[ . 1 . 2]" 1
352 1 39 LEU H 1 39 LEU HA 2.630 . 3.156 2.822 2.815 2.834 . 0 0 "[ . 1 . 2]" 1
353 1 39 LEU MD1 1 39 LEU MD2 1.720 . 2.064 2.086 2.069 2.101 0.037 7 0 "[ . 1 . 2]" 1
354 1 39 LEU HB2 1 39 LEU HG 1.946 . 2.335 2.374 2.358 2.394 0.059 1 0 "[ . 1 . 2]" 1
355 1 39 LEU HB3 1 39 LEU HG 2.362 . 2.834 2.967 2.959 2.976 0.142 10 0 "[ . 1 . 2]" 1
356 1 39 LEU HA 1 39 LEU HG 2.825 . 3.390 3.195 3.117 3.252 . 0 0 "[ . 1 . 2]" 1
357 1 39 LEU H 1 39 LEU HG 2.686 . 3.223 1.951 1.902 1.992 . 0 0 "[ . 1 . 2]" 1
358 1 39 LEU H 1 39 LEU HB3 2.957 . 3.548 3.565 3.550 3.580 0.032 6 0 "[ . 1 . 2]" 1
359 1 39 LEU HB2 1 58 ILE MG 2.438 . 2.926 2.827 2.562 3.034 0.108 4 0 "[ . 1 . 2]" 1
360 1 37 ARG HA 1 40 ALA MB 2.402 . 2.882 2.553 2.382 2.802 . 0 0 "[ . 1 . 2]" 1
361 1 37 ARG HA 1 40 ALA H 3.061 . 3.673 3.596 3.438 3.792 0.119 12 0 "[ . 1 . 2]" 1
362 1 38 LYS H 1 40 ALA H 7.119 3.559 8.000 4.034 3.958 4.111 . 0 0 "[ . 1 . 2]" 1
363 1 39 LEU H 1 40 ALA MB 2.940 . 4.528 4.253 4.209 4.291 . 0 0 "[ . 1 . 2]" 1
364 1 39 LEU HG 1 40 ALA H 2.980 . 3.576 3.885 3.827 3.941 0.365 4 0 "[ . 1 . 2]" 1
365 1 39 LEU HB3 1 40 ALA H 3.422 . 4.106 3.693 3.609 3.767 . 0 0 "[ . 1 . 2]" 1
366 1 39 LEU HA 1 40 ALA H 3.164 2.880 3.797 3.481 3.455 3.501 . 0 0 "[ . 1 . 2]" 1
367 1 39 LEU HB2 1 40 ALA H 3.079 . 3.695 2.473 2.338 2.600 . 0 0 "[ . 1 . 2]" 1
368 1 39 LEU H 1 40 ALA H 4.566 2.283 5.479 2.562 2.529 2.594 . 0 0 "[ . 1 . 2]" 1
369 1 40 ALA HA 1 40 ALA MB 2.005 . 2.406 2.129 2.121 2.133 . 0 0 "[ . 1 . 2]" 1
370 1 40 ALA H 1 40 ALA HA 2.588 . 3.106 2.792 2.779 2.804 . 0 0 "[ . 1 . 2]" 1
371 1 40 ALA H 1 40 ALA MB 2.048 . 2.458 2.256 2.219 2.268 . 0 0 "[ . 1 . 2]" 1
372 1 40 ALA MB 1 41 LEU H 2.257 . 2.708 2.566 2.452 2.669 . 0 0 "[ . 1 . 2]" 1
373 1 40 ALA H 1 41 LEU QD 5.550 2.775 6.660 4.775 4.648 4.873 . 0 0 "[ . 1 . 2]" 1
374 1 40 ALA H 1 41 LEU H 4.610 2.305 5.532 2.751 2.713 2.801 . 0 0 "[ . 1 . 2]" 1
375 1 37 ARG HA 1 41 LEU H 6.494 3.247 7.793 4.236 3.749 4.452 . 0 0 "[ . 1 . 2]" 1
376 1 40 ALA HA 1 41 LEU H 2.673 . 3.208 3.489 3.471 3.516 0.308 10 0 "[ . 1 . 2]" 1
377 1 41 LEU H 1 41 LEU HB2 2.460 . 2.952 2.390 2.355 2.440 . 0 0 "[ . 1 . 2]" 1
378 1 41 LEU HA 1 41 LEU HB2 2.670 . 3.204 3.007 3.000 3.015 . 0 0 "[ . 1 . 2]" 1
379 1 41 LEU HA 1 41 LEU HG 2.873 . 3.448 3.060 2.990 3.178 . 0 0 "[ . 1 . 2]" 1
380 1 41 LEU H 1 41 LEU MD1 2.890 . 3.468 3.558 3.498 3.618 0.150 8 0 "[ . 1 . 2]" 1
381 1 41 LEU HB3 1 41 LEU QD 2.402 . 2.722 2.120 2.103 2.134 . 0 0 "[ . 1 . 2]" 1
382 1 41 LEU H 1 41 LEU HG 2.624 . 3.149 2.290 2.201 2.346 . 0 0 "[ . 1 . 2]" 1
383 1 41 LEU H 1 41 LEU MD2 2.787 . 3.344 3.347 3.121 3.439 0.095 18 0 "[ . 1 . 2]" 1
384 1 41 LEU HA 1 41 LEU HB3 2.576 . 3.091 2.479 2.455 2.499 . 0 0 "[ . 1 . 2]" 1
385 1 41 LEU HA 1 41 LEU MD2 2.026 . 2.431 2.022 1.989 2.060 . 0 0 "[ . 1 . 2]" 1
386 1 41 LEU HB2 1 41 LEU MD1 2.368 . 2.842 2.306 2.279 2.328 . 0 0 "[ . 1 . 2]" 1
387 1 41 LEU H 1 41 LEU QD 5.248 2.624 6.298 3.064 2.947 3.104 . 0 0 "[ . 1 . 2]" 1
388 1 41 LEU H 1 41 LEU HA 4.517 2.258 5.420 2.799 2.787 2.811 . 0 0 "[ . 1 . 2]" 1
389 1 41 LEU H 1 41 LEU HB3 2.704 . 3.245 3.522 3.511 3.533 0.288 6 0 "[ . 1 . 2]" 1
390 1 42 LYS HA 1 42 LYS HG2 3.377 . 4.052 3.073 2.637 3.750 . 0 0 "[ . 1 . 2]" 1
391 1 42 LYS HA 1 42 LYS HG3 2.669 . 3.203 3.348 2.315 3.673 0.470 1 0 "[ . 1 . 2]" 1
392 1 42 LYS H 1 42 LYS HG3 3.233 2.735 3.880 3.776 3.568 4.191 0.311 13 0 "[ . 1 . 2]" 1
393 1 42 LYS HB2 1 42 LYS HG3 2.615 . 3.138 2.530 2.343 3.016 . 0 0 "[ . 1 . 2]" 1
394 1 42 LYS QE 1 42 LYS HG3 2.783 . 3.340 2.411 2.336 2.770 . 0 0 "[ . 1 . 2]" 1
395 1 42 LYS HA 1 42 LYS QD 2.367 . 2.840 2.048 1.866 2.598 . 0 0 "[ . 1 . 2]" 1
396 1 42 LYS HA 1 42 LYS HB3 2.760 . 3.312 2.540 2.401 2.998 . 0 0 "[ . 1 . 2]" 1
397 1 42 LYS HA 1 42 LYS HB2 2.650 . 3.180 2.940 2.378 2.989 . 0 0 "[ . 1 . 2]" 1
398 1 42 LYS QE 1 42 LYS HG2 2.834 . 3.401 2.465 2.360 2.932 . 0 0 "[ . 1 . 2]" 1
399 1 42 LYS HB3 1 42 LYS HG2 2.727 . 3.272 2.850 2.351 3.012 . 0 0 "[ . 1 . 2]" 1
400 1 42 LYS HB3 1 42 LYS HG3 2.333 . 2.800 2.431 2.357 2.485 . 0 0 "[ . 1 . 2]" 1
401 1 42 LYS H 1 42 LYS HG2 3.429 . 4.115 2.882 2.210 4.455 0.340 13 0 "[ . 1 . 2]" 1
402 1 42 LYS H 1 42 LYS HA 2.533 . 3.040 2.838 2.822 2.858 . 0 0 "[ . 1 . 2]" 1
403 1 42 LYS H 1 42 LYS HB3 2.697 . 3.236 3.441 2.294 3.546 0.310 9 0 "[ . 1 . 2]" 1
404 1 42 LYS H 1 42 LYS HB2 2.629 . 3.155 2.289 2.098 2.616 . 0 0 "[ . 1 . 2]" 1
405 1 42 LYS HB2 1 43 TYR H 3.107 . 3.728 2.678 2.321 3.865 0.137 13 0 "[ . 1 . 2]" 1
406 1 42 LYS H 1 43 TYR H 4.334 2.167 5.201 2.593 2.478 2.679 . 0 0 "[ . 1 . 2]" 1
407 1 42 LYS HB3 1 43 TYR H 3.174 . 3.809 3.346 2.542 3.573 . 0 0 "[ . 1 . 2]" 1
408 1 42 LYS H 1 43 TYR HB3 7.040 3.520 8.000 6.304 6.148 6.416 . 0 0 "[ . 1 . 2]" 1
409 1 42 LYS HG2 1 43 TYR H 6.418 3.209 7.702 4.562 4.177 5.221 . 0 0 "[ . 1 . 2]" 1
410 1 42 LYS HA 1 43 TYR H 2.979 . 3.575 3.543 3.497 3.575 . 0 0 "[ . 1 . 2]" 1
411 1 43 TYR H 1 43 TYR HB3 4.931 2.466 5.917 3.730 3.688 3.770 . 0 0 "[ . 1 . 2]" 1
412 1 43 TYR H 1 43 TYR HA 5.405 2.703 6.486 2.953 2.930 2.986 . 0 0 "[ . 1 . 2]" 1
413 1 43 TYR H 1 43 TYR HB2 5.599 2.799 6.719 2.625 2.537 2.671 0.262 13 0 "[ . 1 . 2]" 1
414 1 43 TYR HA 1 48 ASN HB2 3.047 . 3.656 3.642 3.232 4.042 0.386 4 0 "[ . 1 . 2]" 1
415 1 43 TYR HB2 1 54 LYS H 6.880 3.440 8.000 6.900 6.280 7.608 . 0 0 "[ . 1 . 2]" 1
416 1 43 TYR HA 1 55 PHE H 5.982 2.991 7.178 6.750 5.957 7.300 0.122 10 0 "[ . 1 . 2]" 1
417 1 43 TYR HA 1 44 HIS H 5.990 2.995 7.188 2.952 2.838 3.066 0.157 12 0 "[ . 1 . 2]" 1
418 1 44 HIS HA 1 44 HIS HB2 2.950 . 3.540 2.641 2.542 2.973 . 0 0 "[ . 1 . 2]" 1
419 1 44 HIS H 1 44 HIS HB3 2.687 . 3.224 2.902 2.697 3.510 0.286 19 0 "[ . 1 . 2]" 1
420 1 44 HIS HA 1 44 HIS HB3 2.806 . 3.367 2.845 2.304 3.029 . 0 0 "[ . 1 . 2]" 1
421 1 44 HIS H 1 44 HIS HB2 2.758 . 3.310 2.504 2.072 3.586 0.276 14 0 "[ . 1 . 2]" 1
422 1 44 HIS HA 1 45 PRO QD 2.432 . 2.918 1.928 1.874 1.989 . 0 0 "[ . 1 . 2]" 1
423 1 44 HIS HB2 1 47 LYS HB3 3.266 . 3.919 3.729 2.481 4.348 0.429 7 0 "[ . 1 . 2]" 1
424 1 44 HIS HB2 1 47 LYS HB2 3.197 . 3.836 3.753 2.589 4.032 0.196 14 0 "[ . 1 . 2]" 1
425 1 44 HIS HA 1 45 PRO QG 3.251 . 3.901 3.829 3.780 3.895 . 0 0 "[ . 1 . 2]" 1
426 1 45 PRO HB2 1 45 PRO QG 2.354 . 2.825 2.185 2.162 2.256 . 0 0 "[ . 1 . 2]" 1
427 1 45 PRO HA 1 45 PRO QG 2.575 . 3.090 3.378 2.908 3.479 0.389 4 0 "[ . 1 . 2]" 1
428 1 45 PRO HA 1 45 PRO HB2 2.227 . 2.672 2.755 2.681 2.942 0.270 7 0 "[ . 1 . 2]" 1
429 1 45 PRO HA 1 45 PRO HB3 2.421 . 2.905 2.271 2.237 2.297 . 0 0 "[ . 1 . 2]" 1
430 1 45 PRO HA 1 49 PRO HA 2.670 . 3.204 3.204 3.021 3.385 0.181 20 0 "[ . 1 . 2]" 1
431 1 46 ASP HA 1 46 ASP QB 2.099 . 2.519 2.355 2.168 2.461 . 0 0 "[ . 1 . 2]" 1
432 1 46 ASP QB 1 47 LYS H 2.819 . 3.383 3.102 2.663 3.688 0.305 16 0 "[ . 1 . 2]" 1
433 1 47 LYS HA 1 47 LYS HB3 2.686 . 3.223 2.969 2.441 3.040 . 0 0 "[ . 1 . 2]" 1
434 1 47 LYS HA 1 47 LYS HB2 2.334 . 2.801 2.584 2.481 2.993 0.192 4 0 "[ . 1 . 2]" 1
435 1 47 LYS H 1 47 LYS HB2 2.876 . 3.451 2.762 2.350 2.906 . 0 0 "[ . 1 . 2]" 1
436 1 47 LYS H 1 47 LYS HB3 2.877 . 3.452 2.737 2.551 3.634 0.182 4 0 "[ . 1 . 2]" 1
437 1 47 LYS HB2 1 47 LYS QG 2.530 . 3.036 2.353 2.166 2.388 . 0 0 "[ . 1 . 2]" 1
438 1 47 LYS H 1 47 LYS HA 4.983 2.491 5.980 2.941 2.911 2.955 . 0 0 "[ . 1 . 2]" 1
439 1 47 LYS H 1 47 LYS QB 4.933 2.466 5.920 2.406 2.320 2.437 0.146 7 0 "[ . 1 . 2]" 1
440 1 47 LYS H 1 48 ASN H 3.965 . 4.758 2.065 1.994 2.191 . 0 0 "[ . 1 . 2]" 1
441 1 45 PRO HA 1 48 ASN H 2.930 . 3.516 3.304 2.939 3.530 0.014 5 0 "[ . 1 . 2]" 1
442 1 48 ASN H 1 48 ASN HA 2.881 . 3.457 2.930 2.908 2.947 . 0 0 "[ . 1 . 2]" 1
443 1 48 ASN HA 1 48 ASN HB2 2.514 . 3.017 3.009 2.991 3.022 0.005 4 0 "[ . 1 . 2]" 1
444 1 48 ASN HB2 1 48 ASN QD 2.743 . 3.292 2.944 2.171 3.293 0.001 16 0 "[ . 1 . 2]" 1
445 1 48 ASN HB3 1 48 ASN QD 3.007 . 3.608 2.496 2.108 3.270 . 0 0 "[ . 1 . 2]" 1
446 1 48 ASN HA 1 48 ASN HB3 2.545 . 3.054 2.473 2.419 2.531 . 0 0 "[ . 1 . 2]" 1
447 1 48 ASN H 1 48 ASN HB3 5.153 2.577 6.184 3.808 3.723 3.902 . 0 0 "[ . 1 . 2]" 1
448 1 48 ASN HA 1 49 PRO HG2 3.168 . 3.802 3.912 3.879 4.046 0.244 18 0 "[ . 1 . 2]" 1
449 1 48 ASN H 1 49 PRO HD3 3.605 . 4.326 3.705 3.418 3.951 . 0 0 "[ . 1 . 2]" 1
450 1 48 ASN HA 1 49 PRO HD3 2.202 . 2.642 2.693 2.506 2.750 0.108 19 0 "[ . 1 . 2]" 1
451 1 48 ASN HA 1 49 PRO HD2 2.350 . 2.820 1.802 1.770 1.852 . 0 0 "[ . 1 . 2]" 1
452 1 48 ASN H 1 49 PRO HD2 3.440 . 4.128 4.163 3.996 4.265 0.137 10 0 "[ . 1 . 2]" 1
453 1 48 ASN HB3 1 51 GLU HG2 2.925 . 3.510 2.753 2.074 3.606 0.096 8 0 "[ . 1 . 2]" 1
454 1 48 ASN HB3 1 49 PRO HD2 3.453 . 4.144 3.790 3.640 3.916 . 0 0 "[ . 1 . 2]" 1
455 1 48 ASN HB2 1 49 PRO HD2 3.541 . 4.249 4.583 4.514 4.636 0.387 14 0 "[ . 1 . 2]" 1
456 1 49 PRO HA 1 49 PRO HG3 3.323 . 3.988 3.938 3.196 4.013 0.025 8 0 "[ . 1 . 2]" 1
457 1 49 PRO HD2 1 49 PRO HG3 2.673 . 3.208 2.657 2.628 2.894 . 0 0 "[ . 1 . 2]" 1
458 1 49 PRO HD3 1 49 PRO HG3 2.681 . 3.217 2.311 2.198 2.330 . 0 0 "[ . 1 . 2]" 1
459 1 49 PRO HB2 1 49 PRO HD3 3.019 . 3.623 3.816 3.788 3.881 0.258 18 0 "[ . 1 . 2]" 1
460 1 49 PRO HD2 1 49 PRO HG2 2.596 . 3.115 2.248 2.227 2.260 . 0 0 "[ . 1 . 2]" 1
461 1 49 PRO HA 1 49 PRO HG2 2.897 . 3.476 3.763 3.739 3.873 0.397 18 0 "[ . 1 . 2]" 1
462 1 49 PRO HA 1 49 PRO HB3 2.660 . 2.690 2.282 2.232 2.301 . 0 0 "[ . 1 . 2]" 1
463 1 49 PRO HA 1 49 PRO HD3 3.069 . 3.683 3.403 3.322 3.452 . 0 0 "[ . 1 . 2]" 1
464 1 49 PRO HA 1 49 PRO HB2 2.185 . 2.622 2.730 2.708 2.898 0.276 18 0 "[ . 1 . 2]" 1
465 1 49 PRO HB2 1 49 PRO HG2 2.322 . 2.786 2.237 2.212 2.272 . 0 0 "[ . 1 . 2]" 1
466 1 49 PRO HB3 1 49 PRO HD3 2.981 . 3.577 2.933 2.812 3.744 0.167 18 0 "[ . 1 . 2]" 1
467 1 49 PRO HD3 1 49 PRO HG2 2.627 . 3.152 2.953 2.759 2.970 . 0 0 "[ . 1 . 2]" 1
468 1 49 PRO HB2 1 49 PRO HD2 2.937 . 3.524 3.913 3.350 3.968 0.444 8 0 "[ . 1 . 2]" 1
469 1 49 PRO HB2 1 49 PRO HG3 2.474 . 2.969 2.638 2.605 2.917 . 0 0 "[ . 1 . 2]" 1
470 1 49 PRO HA 1 49 PRO HD2 3.092 . 3.710 3.981 3.898 3.996 0.286 8 0 "[ . 1 . 2]" 1
471 1 48 ASN HA 1 50 ASN H 6.419 3.209 7.703 3.366 3.143 3.515 0.066 4 0 "[ . 1 . 2]" 1
472 1 49 PRO HA 1 50 ASN H 3.042 . 3.650 3.471 3.414 3.522 . 0 0 "[ . 1 . 2]" 1
473 1 49 PRO HD3 1 50 ASN H 3.246 . 3.895 3.916 3.821 4.076 0.181 18 0 "[ . 1 . 2]" 1
474 1 49 PRO HD2 1 50 ASN H 3.613 . 4.336 2.787 2.651 2.998 . 0 0 "[ . 1 . 2]" 1
475 1 50 ASN HA 1 50 ASN HB2 2.528 . 3.034 2.660 2.419 3.040 0.006 2 0 "[ . 1 . 2]" 1
476 1 50 ASN HA 1 50 ASN HB3 2.528 . 3.034 2.691 2.381 3.045 0.011 8 0 "[ . 1 . 2]" 1
477 1 50 ASN H 1 50 ASN HB3 2.935 . 3.522 2.946 2.440 3.643 0.121 11 0 "[ . 1 . 2]" 1
478 1 50 ASN H 1 50 ASN HB2 5.338 2.669 6.406 2.840 2.482 3.643 0.187 2 0 "[ . 1 . 2]" 1
479 1 48 ASN HB3 1 51 GLU H 2.852 . 3.422 2.796 2.435 3.058 . 0 0 "[ . 1 . 2]" 1
480 1 48 ASN HA 1 51 GLU H 3.473 . 4.168 4.178 3.822 4.315 0.147 16 0 "[ . 1 . 2]" 1
481 1 48 ASN HB2 1 51 GLU H 2.800 . 3.360 3.427 3.288 3.608 0.248 15 0 "[ . 1 . 2]" 1
482 1 49 PRO HA 1 51 GLU H 7.034 3.517 8.000 4.013 3.790 4.226 . 0 0 "[ . 1 . 2]" 1
483 1 50 ASN H 1 51 GLU H 4.960 2.480 5.952 2.539 2.433 2.637 0.047 14 0 "[ . 1 . 2]" 1
484 1 51 GLU HA 1 51 GLU HB3 2.988 . 3.586 2.499 2.449 2.712 . 0 0 "[ . 1 . 2]" 1
485 1 51 GLU HB3 1 51 GLU HG3 2.627 . 3.152 2.430 2.328 2.525 . 0 0 "[ . 1 . 2]" 1
486 1 51 GLU HA 1 51 GLU HG3 2.961 . 3.553 3.462 2.420 3.760 0.207 13 0 "[ . 1 . 2]" 1
487 1 51 GLU H 1 51 GLU HB3 5.672 2.836 6.806 3.646 3.515 3.699 . 0 0 "[ . 1 . 2]" 1
488 1 51 GLU H 1 51 GLU HG2 5.646 2.823 6.775 2.979 2.595 4.374 0.228 3 0 "[ . 1 . 2]" 1
489 1 51 GLU H 1 51 GLU HG3 5.852 2.926 7.022 3.953 3.787 4.346 . 0 0 "[ . 1 . 2]" 1
490 1 51 GLU H 1 51 GLU HB2 5.093 2.547 6.112 2.469 2.316 2.549 0.231 14 0 "[ . 1 . 2]" 1
491 1 51 GLU H 1 52 GLY H 5.065 2.532 6.078 2.398 2.295 2.476 0.237 13 0 "[ . 1 . 2]" 1
492 1 51 GLU H 1 54 LYS H 6.117 3.058 7.340 5.650 5.476 6.000 . 0 0 "[ . 1 . 2]" 1
493 1 45 PRO HB2 1 52 GLY HA3 3.507 . 4.208 4.050 3.540 4.361 0.153 18 0 "[ . 1 . 2]" 1
494 1 49 PRO HA 1 52 GLY H 6.256 3.128 7.507 3.476 3.268 3.897 . 0 0 "[ . 1 . 2]" 1
495 1 52 GLY H 1 52 GLY HA2 2.503 . 3.004 2.819 2.807 2.830 . 0 0 "[ . 1 . 2]" 1
496 1 52 GLY H 1 52 GLY HA3 2.546 . 3.055 2.303 2.287 2.320 . 0 0 "[ . 1 . 2]" 1
497 1 52 GLY HA2 1 53 GLU H 3.239 . 3.887 3.477 3.416 3.533 . 0 0 "[ . 1 . 2]" 1
498 1 52 GLY HA3 1 53 GLU H 3.300 . 3.960 2.994 2.929 3.074 . 0 0 "[ . 1 . 2]" 1
499 1 52 GLY H 1 53 GLU H 5.289 2.644 6.347 2.643 2.600 2.730 0.044 14 0 "[ . 1 . 2]" 1
500 1 53 GLU HA 1 53 GLU QB 2.277 . 2.732 2.392 2.351 2.434 . 0 0 "[ . 1 . 2]" 1
501 1 53 GLU HA 1 53 GLU QG 2.746 . 3.295 2.594 2.390 3.013 . 0 0 "[ . 1 . 2]" 1
502 1 53 GLU H 1 53 GLU HA 5.026 2.513 6.031 2.820 2.786 2.841 . 0 0 "[ . 1 . 2]" 1
503 1 53 GLU H 1 53 GLU QG 5.213 2.607 6.256 3.327 2.324 4.051 0.283 6 0 "[ . 1 . 2]" 1
504 1 53 GLU H 1 53 GLU QB 4.296 2.148 5.155 2.315 2.200 2.505 . 0 0 "[ . 1 . 2]" 1
505 1 53 GLU H 1 54 LYS H 5.043 2.521 6.052 2.639 2.519 2.832 0.002 15 0 "[ . 1 . 2]" 1
506 1 53 GLU QG 1 54 LYS H 6.375 3.187 7.650 3.870 3.455 4.467 . 0 0 "[ . 1 . 2]" 1
507 1 53 GLU HA 1 54 LYS H 5.898 2.949 7.078 3.519 3.467 3.591 . 0 0 "[ . 1 . 2]" 1
508 1 53 GLU QB 1 54 LYS H 4.740 2.370 5.688 2.518 2.331 2.702 0.039 3 0 "[ . 1 . 2]" 1
509 1 54 LYS HA 1 54 LYS HG2 3.127 . 3.752 2.638 2.378 3.334 . 0 0 "[ . 1 . 2]" 1
510 1 54 LYS QE 1 54 LYS HG3 2.797 . 3.356 2.527 2.238 3.308 . 0 0 "[ . 1 . 2]" 1
511 1 54 LYS H 1 54 LYS HB2 2.976 . 3.571 2.347 2.176 2.559 . 0 0 "[ . 1 . 2]" 1
512 1 54 LYS H 1 54 LYS HA 2.544 . 3.053 2.814 2.781 2.836 . 0 0 "[ . 1 . 2]" 1
513 1 54 LYS HA 1 54 LYS QD 2.924 . 3.509 3.614 1.896 4.035 0.526 11 1 "[ . 1+ . 2]" 1
514 1 54 LYS HA 1 54 LYS HB2 2.844 . 3.413 2.937 2.363 3.014 . 0 0 "[ . 1 . 2]" 1
515 1 54 LYS HB2 1 54 LYS HG3 2.617 . 3.140 2.458 2.392 2.562 . 0 0 "[ . 1 . 2]" 1
516 1 54 LYS HA 1 54 LYS HB3 2.797 . 3.356 2.543 2.359 3.002 . 0 0 "[ . 1 . 2]" 1
517 1 54 LYS QD 1 54 LYS HG3 2.275 . 2.730 2.337 2.135 2.406 . 0 0 "[ . 1 . 2]" 1
518 1 54 LYS HB3 1 54 LYS HG3 2.949 . 3.539 2.922 2.322 3.032 . 0 0 "[ . 1 . 2]" 1
519 1 54 LYS HA 1 54 LYS HG3 2.708 . 3.250 3.056 2.390 3.685 0.435 17 0 "[ . 1 . 2]" 1
520 1 54 LYS QD 1 54 LYS QE 2.273 . 2.728 2.056 2.001 2.099 . 0 0 "[ . 1 . 2]" 1
521 1 54 LYS QE 1 54 LYS HG2 3.304 . 3.965 2.613 2.337 3.287 . 0 0 "[ . 1 . 2]" 1
522 1 54 LYS H 1 54 LYS HG2 3.156 . 3.787 3.469 1.992 4.328 0.541 4 1 "[ +. 1 . 2]" 1
523 1 54 LYS H 1 54 LYS HB3 2.684 . 3.221 3.399 2.177 3.554 0.333 2 0 "[ . 1 . 2]" 1
524 1 54 LYS H 1 54 LYS HG3 5.611 2.806 6.733 2.865 2.456 4.361 0.350 10 0 "[ . 1 . 2]" 1
525 1 54 LYS HB3 1 55 PHE H 3.151 . 3.781 3.542 2.619 3.797 0.016 17 0 "[ . 1 . 2]" 1
526 1 54 LYS HB2 1 55 PHE H 3.287 . 3.944 2.834 2.580 3.949 0.005 4 0 "[ . 1 . 2]" 1
527 1 54 LYS H 1 55 PHE H 4.673 2.337 5.608 2.456 2.363 2.532 . 0 0 "[ . 1 . 2]" 1
528 1 54 LYS H 1 57 GLN H 5.908 2.954 7.090 5.283 4.993 5.513 . 0 0 "[ . 1 . 2]" 1
529 1 52 GLY HA3 1 55 PHE HB2 3.336 . 4.003 4.168 4.079 4.269 0.266 8 0 "[ . 1 . 2]" 1
530 1 52 GLY HA3 1 55 PHE HB3 3.201 . 3.841 3.676 3.361 3.852 0.011 8 0 "[ . 1 . 2]" 1
531 1 52 GLY HA2 1 55 PHE HB3 3.191 . 3.829 2.341 2.085 2.535 . 0 0 "[ . 1 . 2]" 1
532 1 55 PHE H 1 55 PHE HB2 2.672 . 3.206 2.382 2.278 2.466 . 0 0 "[ . 1 . 2]" 1
533 1 55 PHE H 1 55 PHE HB3 2.538 . 3.046 2.666 2.592 2.798 . 0 0 "[ . 1 . 2]" 1
534 1 55 PHE HA 1 55 PHE HB2 2.545 . 3.054 2.570 2.529 2.623 . 0 0 "[ . 1 . 2]" 1
535 1 55 PHE HA 1 55 PHE HB3 2.664 . 3.197 3.018 3.004 3.028 . 0 0 "[ . 1 . 2]" 1
536 1 55 PHE H 1 55 PHE HA 4.954 2.477 5.945 2.801 2.781 2.817 . 0 0 "[ . 1 . 2]" 1
537 1 55 PHE H 1 56 LYS HA 5.793 2.896 6.952 5.236 5.178 5.332 . 0 0 "[ . 1 . 2]" 1
538 1 55 PHE H 1 57 GLN H 5.904 2.952 7.085 4.354 4.200 4.468 . 0 0 "[ . 1 . 2]" 1
539 1 55 PHE H 1 58 ILE MD 7.305 3.652 8.000 4.055 3.853 4.344 . 0 0 "[ . 1 . 2]" 1
540 1 54 LYS H 1 56 LYS H 5.132 2.566 6.158 4.041 3.922 4.210 . 0 0 "[ . 1 . 2]" 1
541 1 55 PHE HB2 1 56 LYS H 3.367 . 4.040 3.953 3.819 4.056 0.016 19 0 "[ . 1 . 2]" 1
542 1 55 PHE HB3 1 56 LYS H 2.903 . 3.484 2.913 2.624 3.112 . 0 0 "[ . 1 . 2]" 1
543 1 55 PHE H 1 56 LYS H 4.578 2.289 5.494 2.651 2.605 2.767 . 0 0 "[ . 1 . 2]" 1
544 1 56 LYS HA 1 56 LYS QB 2.252 . 2.702 2.387 2.345 2.455 . 0 0 "[ . 1 . 2]" 1
545 1 56 LYS HA 1 56 LYS QG 2.810 . 3.372 2.497 2.329 2.992 . 0 0 "[ . 1 . 2]" 1
546 1 56 LYS H 1 56 LYS QB 2.285 . 2.742 2.348 2.157 2.514 . 0 0 "[ . 1 . 2]" 1
547 1 56 LYS QB 1 56 LYS QG 2.359 . 2.831 2.079 1.999 2.095 . 0 0 "[ . 1 . 2]" 1
548 1 56 LYS HA 1 56 LYS QD 2.764 . 4.317 3.856 2.066 4.216 . 0 0 "[ . 1 . 2]" 1
549 1 56 LYS H 1 56 LYS HA 2.502 . 3.002 2.802 2.790 2.819 . 0 0 "[ . 1 . 2]" 1
550 1 56 LYS H 1 57 GLN H 4.423 2.211 5.308 2.707 2.620 2.745 . 0 0 "[ . 1 . 2]" 1
551 1 56 LYS H 1 57 GLN HA 4.979 2.489 5.975 5.310 5.248 5.361 . 0 0 "[ . 1 . 2]" 1
552 1 56 LYS H 1 57 GLN HB3 6.075 3.038 7.290 6.053 5.923 6.097 . 0 0 "[ . 1 . 2]" 1
553 1 56 LYS H 1 57 GLN HG3 6.999 3.500 8.000 4.339 4.107 4.488 . 0 0 "[ . 1 . 2]" 1
554 1 56 LYS H 1 58 ILE HG13 7.106 3.553 8.000 5.392 5.157 5.559 . 0 0 "[ . 1 . 2]" 1
555 1 20 VAL MG1 1 57 GLN HB3 3.294 . 3.953 1.887 1.774 2.010 . 0 0 "[ . 1 . 2]" 1
556 1 20 VAL MG2 1 57 GLN HG2 3.103 . 3.724 3.964 3.868 4.068 0.344 11 0 "[ . 1 . 2]" 1
557 1 20 VAL MG1 1 57 GLN HG3 3.319 . 3.983 4.213 4.083 4.313 0.330 3 0 "[ . 1 . 2]" 1
558 1 53 GLU H 1 57 GLN H 6.990 3.495 8.000 6.868 6.452 7.177 . 0 0 "[ . 1 . 2]" 1
559 1 55 PHE HA 1 57 GLN HB2 3.424 . 4.109 4.437 4.330 4.567 0.458 18 0 "[ . 1 . 2]" 1
560 1 56 LYS HA 1 57 GLN H 3.046 . 3.655 3.547 3.514 3.570 . 0 0 "[ . 1 . 2]" 1
561 1 57 GLN H 1 57 GLN HB3 2.631 . 3.157 3.457 3.431 3.473 0.316 16 0 "[ . 1 . 2]" 1
562 1 57 GLN HA 1 57 GLN HG2 2.729 . 3.275 2.511 2.426 2.610 . 0 0 "[ . 1 . 2]" 1
563 1 57 GLN HA 1 57 GLN HG3 2.915 . 3.498 2.973 2.874 3.075 . 0 0 "[ . 1 . 2]" 1
564 1 57 GLN H 1 57 GLN HG3 2.967 . 3.560 2.125 1.996 2.226 . 0 0 "[ . 1 . 2]" 1
565 1 57 GLN HA 1 57 GLN QB 2.077 . 2.492 2.378 2.361 2.390 . 0 0 "[ . 1 . 2]" 1
566 1 57 GLN H 1 57 GLN HA 2.514 . 3.017 2.773 2.751 2.799 . 0 0 "[ . 1 . 2]" 1
567 1 57 GLN H 1 57 GLN HG2 2.690 . 3.228 3.376 3.339 3.418 0.190 1 0 "[ . 1 . 2]" 1
568 1 21 LEU HA 1 58 ILE MG 3.057 . 3.668 3.408 3.183 3.623 . 0 0 "[ . 1 . 2]" 1
569 1 36 TYR HA 1 58 ILE MG 2.627 . 3.152 3.054 2.872 3.183 0.031 11 0 "[ . 1 . 2]" 1
570 1 55 PHE HA 1 58 ILE HB 2.481 . 2.977 2.347 2.151 2.540 . 0 0 "[ . 1 . 2]" 1
571 1 55 PHE HA 1 58 ILE HG13 2.771 . 3.325 2.977 2.684 3.314 . 0 0 "[ . 1 . 2]" 1
572 1 57 GLN HB2 1 58 ILE H 2.999 . 3.599 2.326 2.203 2.409 . 0 0 "[ . 1 . 2]" 1
573 1 57 GLN H 1 58 ILE H 5.044 2.522 6.053 2.624 2.565 2.688 . 0 0 "[ . 1 . 2]" 1
574 1 57 GLN HB3 1 58 ILE H 3.008 . 3.610 3.375 3.298 3.472 . 0 0 "[ . 1 . 2]" 1
575 1 58 ILE HB 1 58 ILE MD 2.626 . 3.151 2.386 2.361 2.418 . 0 0 "[ . 1 . 2]" 1
576 1 58 ILE HG12 1 58 ILE MG 2.714 . 3.257 2.297 2.241 2.334 . 0 0 "[ . 1 . 2]" 1
577 1 58 ILE H 1 58 ILE HA 2.523 . 3.028 2.802 2.786 2.815 . 0 0 "[ . 1 . 2]" 1
578 1 58 ILE HB 1 58 ILE HG13 2.889 . 3.467 2.479 2.456 2.508 . 0 0 "[ . 1 . 2]" 1
579 1 58 ILE HA 1 58 ILE MG 2.210 . 2.652 2.458 2.400 2.499 . 0 0 "[ . 1 . 2]" 1
580 1 58 ILE HA 1 58 ILE HG12 2.877 . 3.452 2.531 2.497 2.571 . 0 0 "[ . 1 . 2]" 1
581 1 58 ILE HG13 1 58 ILE MG 2.255 . 2.706 3.149 3.141 3.159 0.453 7 0 "[ . 1 . 2]" 1
582 1 58 ILE HB 1 58 ILE MG 2.043 . 2.452 2.111 2.098 2.122 . 0 0 "[ . 1 . 2]" 1
583 1 58 ILE HA 1 58 ILE HB 2.453 . 2.944 3.020 3.010 3.025 0.081 1 0 "[ . 1 . 2]" 1
584 1 58 ILE HA 1 58 ILE HG13 2.452 . 2.942 2.841 2.798 2.949 0.007 3 0 "[ . 1 . 2]" 1
585 1 58 ILE H 1 58 ILE HB 2.493 . 2.992 2.429 2.387 2.504 . 0 0 "[ . 1 . 2]" 1
586 1 58 ILE H 1 58 ILE MD 5.654 2.827 6.785 3.510 3.451 3.563 . 0 0 "[ . 1 . 2]" 1
587 1 58 ILE H 1 58 ILE HG13 2.912 . 3.494 2.216 2.090 2.267 . 0 0 "[ . 1 . 2]" 1
588 1 58 ILE MG 1 59 SER HA 2.563 . 3.076 3.174 3.121 3.219 0.143 20 0 "[ . 1 . 2]" 1
589 1 58 ILE H 1 59 SER HA 5.128 2.564 6.154 5.265 5.233 5.300 . 0 0 "[ . 1 . 2]" 1
590 1 58 ILE HA 1 61 ALA MB 2.523 . 3.028 2.954 2.601 3.123 0.095 1 0 "[ . 1 . 2]" 1
591 1 58 ILE H 1 61 ALA H 6.224 3.112 7.469 4.980 4.784 5.122 . 0 0 "[ . 1 . 2]" 1
592 1 58 ILE MG 1 59 SER H 5.443 2.722 6.532 3.227 3.182 3.305 . 0 0 "[ . 1 . 2]" 1
593 1 58 ILE HB 1 59 SER H 4.604 2.302 5.525 2.572 2.492 2.637 . 0 0 "[ . 1 . 2]" 1
594 1 58 ILE HG13 1 59 SER H 5.570 2.785 6.684 4.303 4.198 4.357 . 0 0 "[ . 1 . 2]" 1
595 1 59 SER HA 1 59 SER HG 2.526 . 3.031 2.871 2.240 3.352 0.321 7 0 "[ . 1 . 2]" 1
596 1 59 SER HA 1 59 SER QB 2.348 . 2.818 2.349 2.176 2.382 . 0 0 "[ . 1 . 2]" 1
597 1 59 SER H 1 59 SER HB2 4.537 2.268 5.444 2.579 2.468 3.610 . 0 0 "[ . 1 . 2]" 1
598 1 59 SER H 1 59 SER HA 2.679 . 3.215 2.783 2.758 2.797 . 0 0 "[ . 1 . 2]" 1
599 1 59 SER H 1 59 SER HB3 4.704 2.352 5.645 2.964 2.528 3.595 . 0 0 "[ . 1 . 2]" 1
600 1 59 SER H 1 61 ALA H 6.209 3.104 7.451 4.410 4.245 4.481 . 0 0 "[ . 1 . 2]" 1
601 1 59 SER HA 1 62 TYR HB2 3.173 . 3.808 3.724 3.250 3.902 0.094 5 0 "[ . 1 . 2]" 1
602 1 59 SER HB2 1 60 GLN H 4.878 2.439 5.854 3.432 2.564 4.003 . 0 0 "[ . 1 . 2]" 1
603 1 60 GLN HA 1 60 GLN HB3 2.272 . 2.726 2.450 2.416 2.482 . 0 0 "[ . 1 . 2]" 1
604 1 60 GLN HA 1 60 GLN HG2 2.665 . 3.198 2.525 2.437 2.626 . 0 0 "[ . 1 . 2]" 1
605 1 60 GLN H 1 60 GLN HB2 2.459 . 2.951 2.361 2.287 2.448 . 0 0 "[ . 1 . 2]" 1
606 1 60 GLN HB3 1 60 GLN HG2 2.427 . 2.912 2.449 2.420 2.510 . 0 0 "[ . 1 . 2]" 1
607 1 60 GLN HA 1 60 GLN HB2 2.248 . 2.698 2.980 2.969 2.990 0.292 6 0 "[ . 1 . 2]" 1
608 1 60 GLN H 1 60 GLN HG3 3.040 . 3.648 2.152 2.042 2.253 . 0 0 "[ . 1 . 2]" 1
609 1 60 GLN H 1 60 GLN HA 2.478 . 2.974 2.806 2.783 2.827 . 0 0 "[ . 1 . 2]" 1
610 1 60 GLN H 1 60 GLN HG2 2.997 . 3.596 3.374 3.266 3.485 . 0 0 "[ . 1 . 2]" 1
611 1 60 GLN HA 1 60 GLN HG3 2.915 . 3.498 3.042 2.935 3.142 . 0 0 "[ . 1 . 2]" 1
612 1 60 GLN H 1 60 GLN HB3 2.570 . 3.084 3.498 3.481 3.516 0.432 19 0 "[ . 1 . 2]" 1
613 1 60 GLN HG3 1 61 ALA H 3.320 . 3.984 4.159 4.027 4.239 0.255 8 0 "[ . 1 . 2]" 1
614 1 57 GLN HA 1 61 ALA MB 3.243 . 4.892 4.752 4.372 5.110 0.218 6 0 "[ . 1 . 2]" 1
615 1 58 ILE HA 1 61 ALA H 3.188 . 3.826 3.774 3.542 3.941 0.115 15 0 "[ . 1 . 2]" 1
616 1 60 GLN HB2 1 61 ALA H 3.054 . 3.665 2.332 2.216 2.430 . 0 0 "[ . 1 . 2]" 1
617 1 60 GLN HB3 1 61 ALA H 2.816 . 3.379 3.378 3.282 3.418 0.039 19 0 "[ . 1 . 2]" 1
618 1 60 GLN H 1 61 ALA H 4.486 2.243 5.383 2.676 2.615 2.727 . 0 0 "[ . 1 . 2]" 1
619 1 60 GLN HA 1 61 ALA H 3.002 . 3.602 3.530 3.516 3.542 . 0 0 "[ . 1 . 2]" 1
620 1 61 ALA HA 1 61 ALA MB 2.055 . 2.466 2.139 2.124 2.154 . 0 0 "[ . 1 . 2]" 1
621 1 61 ALA H 1 61 ALA MB 2.202 . 2.642 2.251 2.227 2.281 . 0 0 "[ . 1 . 2]" 1
622 1 61 ALA H 1 61 ALA HA 2.628 . 3.154 2.834 2.818 2.849 . 0 0 "[ . 1 . 2]" 1
623 1 21 LEU MD1 1 62 TYR H 2.694 . 3.233 3.321 2.901 3.534 0.301 13 0 "[ . 1 . 2]" 1
624 1 21 LEU HB3 1 62 TYR H 6.878 3.439 8.000 6.495 6.141 6.740 . 0 0 "[ . 1 . 2]" 1
625 1 59 SER HA 1 62 TYR H 5.893 2.947 7.072 3.698 3.319 3.918 . 0 0 "[ . 1 . 2]" 1
626 1 60 GLN HG3 1 62 TYR H 6.343 3.172 7.612 6.048 5.898 6.133 . 0 0 "[ . 1 . 2]" 1
627 1 61 ALA HA 1 62 TYR H 3.151 2.173 3.781 3.549 3.512 3.590 . 0 0 "[ . 1 . 2]" 1
628 1 61 ALA H 1 62 TYR H 4.723 2.361 5.069 2.717 2.650 2.765 . 0 0 "[ . 1 . 2]" 1
629 1 61 ALA MB 1 62 TYR H 2.386 . 2.863 2.471 2.366 2.584 . 0 0 "[ . 1 . 2]" 1
630 1 62 TYR H 1 62 TYR HB2 2.670 . 3.204 2.613 2.486 2.693 . 0 0 "[ . 1 . 2]" 1
631 1 62 TYR H 1 62 TYR HA 2.682 . 3.218 2.773 2.735 2.800 . 0 0 "[ . 1 . 2]" 1
632 1 62 TYR HA 1 62 TYR HB3 2.538 . 3.046 3.018 3.003 3.035 . 0 0 "[ . 1 . 2]" 1
633 1 62 TYR H 1 62 TYR HB3 2.608 . 3.130 2.459 2.328 2.638 . 0 0 "[ . 1 . 2]" 1
634 1 62 TYR HA 1 62 TYR HB2 2.740 . 3.288 2.405 2.350 2.483 . 0 0 "[ . 1 . 2]" 1
635 1 62 TYR H 1 63 GLU H 4.176 2.088 5.011 2.742 2.653 2.824 . 0 0 "[ . 1 . 2]" 1
636 1 62 TYR H 1 63 GLU HB3 6.495 3.248 7.794 5.161 4.823 6.348 . 0 0 "[ . 1 . 2]" 1
637 1 60 GLN HA 1 63 GLU H 2.827 . 3.392 3.390 3.273 3.487 0.095 6 0 "[ . 1 . 2]" 1
638 1 61 ALA H 1 63 GLU H 5.613 2.806 6.736 4.048 3.848 4.159 . 0 0 "[ . 1 . 2]" 1
639 1 62 TYR HB2 1 63 GLU H 4.969 2.485 5.963 4.018 3.933 4.190 . 0 0 "[ . 1 . 2]" 1
640 1 62 TYR HB3 1 63 GLU H 5.394 2.697 6.473 2.749 2.675 3.073 0.022 12 0 "[ . 1 . 2]" 1
641 1 63 GLU HA 1 63 GLU HB3 2.343 . 2.812 2.945 2.495 3.002 0.190 17 0 "[ . 1 . 2]" 1
642 1 63 GLU HA 1 63 GLU HB2 2.717 . 3.260 2.513 2.400 3.013 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLU HA 1 63 GLU HG2 3.007 . 3.608 3.234 2.480 3.779 0.171 9 0 "[ . 1 . 2]" 1
644 1 63 GLU H 1 63 GLU HB2 2.555 . 3.066 2.445 2.337 2.557 . 0 0 "[ . 1 . 2]" 1
645 1 63 GLU HA 1 63 GLU HG3 2.937 . 3.524 2.852 2.493 3.269 . 0 0 "[ . 1 . 2]" 1
646 1 63 GLU H 1 63 GLU HB3 3.953 . 4.744 2.691 2.456 3.620 . 0 0 "[ . 1 . 2]" 1
647 1 63 GLU H 1 63 GLU HA 2.551 . 3.061 2.763 2.729 2.798 . 0 0 "[ . 1 . 2]" 1
648 1 63 GLU H 1 66 SER H 5.759 2.880 6.911 4.724 4.654 4.825 . 0 0 "[ . 1 . 2]" 1
649 1 60 GLN HA 1 64 VAL H 3.649 . 4.379 4.568 4.438 4.686 0.307 2 0 "[ . 1 . 2]" 1
650 1 61 ALA HA 1 64 VAL MG2 3.088 . 3.706 4.097 3.920 4.200 0.494 9 0 "[ . 1 . 2]" 1
651 1 61 ALA HA 1 64 VAL MG1 3.017 . 3.620 2.541 2.204 3.157 . 0 0 "[ . 1 . 2]" 1
652 1 61 ALA HA 1 64 VAL H 3.334 . 4.001 3.726 3.531 3.990 . 0 0 "[ . 1 . 2]" 1
653 1 61 ALA MB 1 64 VAL MG2 3.282 . 4.938 4.755 4.529 4.970 0.032 9 0 "[ . 1 . 2]" 1
654 1 63 GLU HA 1 64 VAL H 3.062 2.452 3.674 3.533 3.493 3.578 . 0 0 "[ . 1 . 2]" 1
655 1 63 GLU HA 1 64 VAL MG1 3.392 . 4.070 4.508 4.401 4.590 0.520 15 2 "[ - . 1 + 2]" 1
656 1 63 GLU HG3 1 64 VAL H 6.673 3.337 8.000 4.194 3.287 4.921 0.050 20 0 "[ . 1 . 2]" 1
657 1 63 GLU H 1 64 VAL H 4.592 2.296 5.510 2.897 2.762 3.078 . 0 0 "[ . 1 . 2]" 1
658 1 63 GLU QB 1 64 VAL H 4.912 2.456 5.894 2.388 2.296 2.549 0.160 9 0 "[ . 1 . 2]" 1
659 1 64 VAL H 1 64 VAL HB 2.506 . 3.007 3.247 3.141 3.345 0.338 9 0 "[ . 1 . 2]" 1
660 1 64 VAL H 1 64 VAL MG2 2.633 . 3.160 3.381 3.234 3.500 0.340 15 0 "[ . 1 . 2]" 1
661 1 64 VAL HB 1 64 VAL MG1 2.001 . 2.401 2.104 2.079 2.114 . 0 0 "[ . 1 . 2]" 1
662 1 64 VAL H 1 64 VAL HA 2.703 . 3.244 2.896 2.871 2.924 . 0 0 "[ . 1 . 2]" 1
663 1 64 VAL HA 1 64 VAL MG2 2.230 . 2.676 2.777 2.726 2.852 0.176 20 0 "[ . 1 . 2]" 1
664 1 64 VAL HB 1 64 VAL MG2 2.057 . 2.468 2.122 2.109 2.132 . 0 0 "[ . 1 . 2]" 1
665 1 64 VAL HA 1 64 VAL HB 2.715 . 3.258 2.221 2.167 2.251 . 0 0 "[ . 1 . 2]" 1
666 1 64 VAL HA 1 64 VAL MG1 2.124 . 3.549 3.013 2.866 3.084 . 0 0 "[ . 1 . 2]" 1
667 1 64 VAL MG1 1 64 VAL MG2 1.862 . 2.234 2.058 2.027 2.100 . 0 0 "[ . 1 . 2]" 1
668 1 64 VAL H 1 64 VAL MG1 2.067 . 2.480 1.636 1.587 1.696 0.133 8 0 "[ . 1 . 2]" 1
669 1 64 VAL MG2 1 65 LEU MD1 2.231 . 2.677 1.942 1.828 2.128 . 0 0 "[ . 1 . 2]" 1
670 1 64 VAL H 1 65 LEU HB3 6.252 3.126 7.502 5.947 5.855 6.016 . 0 0 "[ . 1 . 2]" 1
671 1 64 VAL H 1 65 LEU HA 6.565 3.282 7.878 5.138 5.051 5.203 . 0 0 "[ . 1 . 2]" 1
672 1 64 VAL H 1 65 LEU H 4.843 2.421 5.812 2.496 2.415 2.563 0.006 9 0 "[ . 1 . 2]" 1
673 1 64 VAL HA 1 70 LYS QD 2.646 . 3.175 2.742 2.435 3.461 0.286 18 0 "[ . 1 . 2]" 1
674 1 64 VAL MG2 1 70 LYS QE 3.049 . 3.659 3.776 3.574 3.970 0.311 20 0 "[ . 1 . 2]" 1
675 1 64 VAL MG1 1 70 LYS QE 2.996 . 3.595 3.448 3.149 3.976 0.381 20 0 "[ . 1 . 2]" 1
676 1 64 VAL MG2 1 70 LYS HB3 2.653 . 3.184 2.921 2.723 3.092 . 0 0 "[ . 1 . 2]" 1
677 1 64 VAL HA 1 70 LYS HE2 3.004 . 3.605 2.360 1.726 3.400 . 0 0 "[ . 1 . 2]" 1
678 1 64 VAL MG2 1 70 LYS HB2 2.389 . 2.867 2.965 2.860 3.048 0.181 11 0 "[ . 1 . 2]" 1
679 1 64 VAL H 1 70 LYS QD 6.706 3.353 8.000 4.985 4.473 5.410 . 0 0 "[ . 1 . 2]" 1
680 1 64 VAL MG2 1 71 ARG HA 2.559 . 3.071 1.890 1.782 1.968 . 0 0 "[ . 1 . 2]" 1
681 1 64 VAL MG2 1 74 TYR HB3 2.364 . 2.837 2.812 2.309 3.058 0.221 12 0 "[ . 1 . 2]" 1
682 1 64 VAL MG2 1 74 TYR HB2 2.968 . 3.562 2.419 2.046 2.780 . 0 0 "[ . 1 . 2]" 1
683 1 32 LEU HG 1 65 LEU HA 2.890 . 3.468 3.780 3.663 3.886 0.418 15 0 "[ . 1 . 2]" 1
684 1 32 LEU HG 1 65 LEU HB3 2.694 . 3.233 2.009 1.761 2.346 . 0 0 "[ . 1 . 2]" 1
685 1 60 GLN HA 1 65 LEU H 6.965 3.482 8.000 6.526 6.356 6.631 . 0 0 "[ . 1 . 2]" 1
686 1 61 ALA MB 1 65 LEU MD2 2.802 . 3.362 2.261 1.885 2.671 . 0 0 "[ . 1 . 2]" 1
687 1 61 ALA MB 1 65 LEU MD1 3.292 . 3.950 2.868 2.588 3.185 . 0 0 "[ . 1 . 2]" 1
688 1 61 ALA HA 1 65 LEU H 6.544 3.272 7.853 3.867 3.548 4.032 . 0 0 "[ . 1 . 2]" 1
689 1 62 TYR HA 1 65 LEU HB2 2.955 . 3.546 2.471 1.977 3.220 . 0 0 "[ . 1 . 2]" 1
690 1 64 VAL HA 1 65 LEU H 3.381 . 4.057 3.539 3.499 3.561 . 0 0 "[ . 1 . 2]" 1
691 1 64 VAL MG1 1 65 LEU H 5.584 2.792 6.701 2.656 2.570 2.935 0.222 15 0 "[ . 1 . 2]" 1
692 1 64 VAL MG2 1 65 LEU H 2.624 . 3.149 2.753 2.595 2.924 . 0 0 "[ . 1 . 2]" 1
693 1 65 LEU H 1 65 LEU HA 4.994 2.497 5.993 2.844 2.830 2.861 . 0 0 "[ . 1 . 2]" 1
694 1 65 LEU H 1 65 LEU HB3 5.249 2.624 6.299 3.517 3.501 3.533 . 0 0 "[ . 1 . 2]" 1
695 1 65 LEU H 1 65 LEU HG 4.332 2.166 5.198 4.199 4.145 4.253 . 0 0 "[ . 1 . 2]" 1
696 1 65 LEU H 1 65 LEU MD1 5.385 2.693 6.462 2.497 2.456 2.536 0.237 20 0 "[ . 1 . 2]" 1
697 1 65 LEU H 1 65 LEU MD2 5.504 2.752 6.605 3.800 3.652 3.877 . 0 0 "[ . 1 . 2]" 1
698 1 65 LEU H 1 65 LEU HB2 4.545 2.272 5.454 2.232 2.209 2.249 0.063 2 0 "[ . 1 . 2]" 1
699 1 65 LEU H 1 66 SER HA 7.031 3.515 8.000 5.266 5.132 5.326 . 0 0 "[ . 1 . 2]" 1
700 1 65 LEU H 1 66 SER H 4.802 2.401 5.762 2.681 2.637 2.734 . 0 0 "[ . 1 . 2]" 1
701 1 65 LEU MD1 1 71 ARG HD2 3.335 . 4.002 3.801 3.216 4.083 0.081 7 0 "[ . 1 . 2]" 1
702 1 63 GLU HA 1 66 SER H 3.578 . 4.294 4.189 3.964 4.513 0.219 9 0 "[ . 1 . 2]" 1
703 1 65 LEU MD1 1 66 SER H 6.815 3.407 8.000 4.397 4.362 4.442 . 0 0 "[ . 1 . 2]" 1
704 1 65 LEU HB3 1 66 SER H 6.067 3.034 7.280 3.537 3.352 3.885 . 0 0 "[ . 1 . 2]" 1
705 1 65 LEU HB2 1 66 SER H 5.507 2.753 6.608 3.146 2.950 3.522 . 0 0 "[ . 1 . 2]" 1
706 1 65 LEU MD2 1 66 SER H 7.294 3.647 8.000 4.947 4.766 5.262 . 0 0 "[ . 1 . 2]" 1
707 1 66 SER HA 1 66 SER HB2 2.416 . 2.899 2.540 2.440 3.013 0.114 10 0 "[ . 1 . 2]" 1
708 1 66 SER H 1 66 SER HB2 2.946 . 3.535 3.052 2.373 3.623 0.088 12 0 "[ . 1 . 2]" 1
709 1 66 SER H 1 66 SER HB3 5.046 2.523 6.055 2.719 2.520 3.624 0.003 8 0 "[ . 1 . 2]" 1
710 1 66 SER H 1 66 SER HA 5.164 2.582 6.197 2.845 2.822 2.872 . 0 0 "[ . 1 . 2]" 1
711 1 66 SER H 1 67 ASP HB3 6.230 3.115 7.476 5.057 4.710 6.179 . 0 0 "[ . 1 . 2]" 1
712 1 66 SER HB3 1 67 ASP H 6.453 3.227 7.744 3.833 3.180 4.381 0.047 11 0 "[ . 1 . 2]" 1
713 1 66 SER HB2 1 67 ASP H 5.805 2.902 6.966 4.035 3.036 4.278 . 0 0 "[ . 1 . 2]" 1
714 1 66 SER H 1 67 ASP HA 5.140 2.570 6.168 5.202 5.138 5.256 . 0 0 "[ . 1 . 2]" 1
715 1 66 SER H 1 67 ASP H 4.835 2.417 5.802 2.570 2.487 2.642 . 0 0 "[ . 1 . 2]" 1
716 1 66 SER HA 1 67 ASP H 5.857 2.929 7.028 3.391 3.307 3.516 . 0 0 "[ . 1 . 2]" 1
717 1 67 ASP HA 1 67 ASP HB3 2.948 . 3.538 2.945 2.479 3.029 . 0 0 "[ . 1 . 2]" 1
718 1 67 ASP HA 1 67 ASP HB2 2.663 . 3.196 2.556 2.394 3.028 . 0 0 "[ . 1 . 2]" 1
719 1 67 ASP H 1 67 ASP HB3 2.748 . 3.298 2.812 2.547 3.663 0.365 6 0 "[ . 1 . 2]" 1
720 1 67 ASP H 1 67 ASP HB2 2.793 . 3.352 2.951 2.392 3.278 . 0 0 "[ . 1 . 2]" 1
721 1 67 ASP H 1 67 ASP HA 5.174 2.587 6.209 2.931 2.904 2.946 . 0 0 "[ . 1 . 2]" 1
722 1 67 ASP H 1 68 ALA H 6.824 3.412 8.000 4.142 3.969 4.253 . 0 0 "[ . 1 . 2]" 1
723 1 67 ASP H 1 68 ALA MB 6.850 3.425 8.000 5.365 5.213 5.530 . 0 0 "[ . 1 . 2]" 1
724 1 67 ASP HB2 1 70 LYS QD 3.135 . 3.762 3.222 1.992 4.025 0.263 18 0 "[ . 1 . 2]" 1
725 1 67 ASP H 1 70 LYS QD 6.281 3.140 7.537 4.416 3.508 5.727 . 0 0 "[ . 1 . 2]" 1
726 1 67 ASP HA 1 68 ALA MB 2.776 . 4.331 4.001 3.958 4.050 . 0 0 "[ . 1 . 2]" 1
727 1 67 ASP HA 1 68 ALA H 3.714 . 4.457 2.135 2.094 2.185 . 0 0 "[ . 1 . 2]" 1
728 1 67 ASP HB2 1 68 ALA H 6.118 3.059 7.342 4.385 4.264 4.538 . 0 0 "[ . 1 . 2]" 1
729 1 68 ALA H 1 68 ALA MB 2.178 . 2.614 2.229 2.214 2.248 . 0 0 "[ . 1 . 2]" 1
730 1 68 ALA HA 1 68 ALA MB 1.967 . 2.360 2.126 2.120 2.134 . 0 0 "[ . 1 . 2]" 1
731 1 68 ALA H 1 68 ALA HA 2.719 . 3.263 2.768 2.747 2.782 . 0 0 "[ . 1 . 2]" 1
732 1 64 VAL MG1 1 69 LYS H 6.694 3.347 8.000 8.229 8.113 8.357 0.357 2 0 "[ . 1 . 2]" 1
733 1 65 LEU HA 1 69 LYS H 6.603 3.302 7.924 7.167 6.894 7.489 . 0 0 "[ . 1 . 2]" 1
734 1 68 ALA MB 1 69 LYS H 2.414 2.145 2.897 2.829 2.733 2.909 0.012 7 0 "[ . 1 . 2]" 1
735 1 68 ALA HA 1 69 LYS H 3.105 . 3.726 3.486 3.445 3.535 . 0 0 "[ . 1 . 2]" 1
736 1 68 ALA H 1 69 LYS HB3 6.646 3.323 7.975 5.093 4.911 5.243 . 0 0 "[ . 1 . 2]" 1
737 1 68 ALA H 1 69 LYS H 5.176 2.588 6.211 2.796 2.664 2.871 . 0 0 "[ . 1 . 2]" 1
738 1 69 LYS QD 1 69 LYS QE 1.734 . 2.081 2.067 2.004 2.094 0.013 4 0 "[ . 1 . 2]" 1
739 1 69 LYS HA 1 69 LYS QB 2.281 . 2.737 2.351 2.312 2.379 . 0 0 "[ . 1 . 2]" 1
740 1 69 LYS HA 1 69 LYS QG 2.630 . 3.156 2.467 2.418 2.579 . 0 0 "[ . 1 . 2]" 1
741 1 69 LYS HA 1 69 LYS QD 2.724 . 4.269 3.994 3.922 4.084 . 0 0 "[ . 1 . 2]" 1
742 1 69 LYS H 1 69 LYS HB3 2.477 . 2.972 2.494 2.368 2.572 . 0 0 "[ . 1 . 2]" 1
743 1 69 LYS H 1 69 LYS QB 4.086 2.043 4.903 2.265 2.220 2.309 . 0 0 "[ . 1 . 2]" 1
744 1 69 LYS H 1 69 LYS HA 2.571 . 3.085 2.844 2.828 2.865 . 0 0 "[ . 1 . 2]" 1
745 1 69 LYS H 1 71 ARG H 5.972 2.986 7.166 3.863 3.786 3.982 . 0 0 "[ . 1 . 2]" 1
746 1 64 VAL HA 1 70 LYS HB2 2.760 . 3.312 2.248 2.046 2.446 . 0 0 "[ . 1 . 2]" 1
747 1 64 VAL HA 1 70 LYS H 3.554 . 4.265 4.614 4.476 4.790 0.525 5 2 "[ - + 1 . 2]" 1
748 1 64 VAL HA 1 70 LYS HB3 2.773 . 3.328 2.657 2.291 3.082 . 0 0 "[ . 1 . 2]" 1
749 1 67 ASP HB3 1 70 LYS H 3.202 . 3.842 2.860 2.365 3.071 . 0 0 "[ . 1 . 2]" 1
750 1 68 ALA H 1 70 LYS H 6.294 3.147 7.553 4.644 4.543 4.799 . 0 0 "[ . 1 . 2]" 1
751 1 69 LYS HA 1 70 LYS H 3.110 . 3.732 3.592 3.562 3.643 . 0 0 "[ . 1 . 2]" 1
752 1 69 LYS HB2 1 70 LYS H 4.368 2.184 5.242 3.828 3.676 3.949 . 0 0 "[ . 1 . 2]" 1
753 1 69 LYS H 1 70 LYS H 4.221 2.111 5.065 2.662 2.554 2.795 . 0 0 "[ . 1 . 2]" 1
754 1 70 LYS QE 1 70 LYS HG2 2.833 . 3.400 2.431 2.287 3.464 0.064 18 0 "[ . 1 . 2]" 1
755 1 70 LYS H 1 70 LYS QD 3.322 . 3.986 3.714 3.521 4.197 0.211 18 0 "[ . 1 . 2]" 1
756 1 70 LYS QE 1 70 LYS HG3 2.897 . 3.476 3.215 2.284 3.308 . 0 0 "[ . 1 . 2]" 1
757 1 70 LYS H 1 70 LYS HB3 3.008 . 3.610 3.555 3.518 3.614 0.004 7 0 "[ . 1 . 2]" 1
758 1 70 LYS HA 1 70 LYS HG2 2.891 . 3.469 2.534 2.395 2.600 . 0 0 "[ . 1 . 2]" 1
759 1 70 LYS HB3 1 70 LYS QD 2.750 . 3.300 2.874 2.120 3.026 . 0 0 "[ . 1 . 2]" 1
760 1 70 LYS H 1 70 LYS HG3 3.031 . 3.637 2.238 2.084 2.604 . 0 0 "[ . 1 . 2]" 1
761 1 70 LYS H 1 70 LYS HA 2.723 . 3.268 2.815 2.802 2.830 . 0 0 "[ . 1 . 2]" 1
762 1 70 LYS H 1 70 LYS HG2 3.211 . 3.853 3.438 2.694 3.558 . 0 0 "[ . 1 . 2]" 1
763 1 70 LYS H 1 71 ARG H 4.709 2.354 5.651 2.548 2.485 2.604 . 0 0 "[ . 1 . 2]" 1
764 1 64 VAL MG2 1 71 ARG H 3.130 . 3.756 2.853 2.771 2.944 . 0 0 "[ . 1 . 2]" 1
765 1 65 LEU MD1 1 71 ARG HA 2.901 . 3.481 3.289 2.986 3.529 0.048 15 0 "[ . 1 . 2]" 1
766 1 68 ALA HA 1 71 ARG HB3 2.904 . 3.485 2.409 2.238 2.560 . 0 0 "[ . 1 . 2]" 1
767 1 68 ALA HA 1 71 ARG H 3.032 . 3.638 3.602 3.470 3.709 0.071 7 0 "[ . 1 . 2]" 1
768 1 70 LYS HB2 1 71 ARG H 3.510 . 4.212 2.621 2.551 2.690 . 0 0 "[ . 1 . 2]" 1
769 1 70 LYS HB3 1 71 ARG H 3.279 . 3.935 3.647 3.582 3.701 . 0 0 "[ . 1 . 2]" 1
770 1 70 LYS HG2 1 71 ARG H 6.572 3.286 7.886 4.959 4.589 5.040 . 0 0 "[ . 1 . 2]" 1
771 1 71 ARG HB2 1 71 ARG HD3 2.830 . 3.396 3.036 2.922 3.135 . 0 0 "[ . 1 . 2]" 1
772 1 71 ARG HB3 1 71 ARG HD2 2.982 . 3.578 3.062 2.964 3.188 . 0 0 "[ . 1 . 2]" 1
773 1 71 ARG HA 1 71 ARG HB3 2.685 . 3.222 3.021 3.012 3.033 . 0 0 "[ . 1 . 2]" 1
774 1 71 ARG HB3 1 71 ARG HD3 2.878 . 3.454 2.444 2.350 2.537 . 0 0 "[ . 1 . 2]" 1
775 1 71 ARG HA 1 71 ARG HG3 2.833 . 3.400 2.606 2.547 2.662 . 0 0 "[ . 1 . 2]" 1
776 1 71 ARG H 1 71 ARG HB2 4.593 2.296 5.512 2.486 2.444 2.539 . 0 0 "[ . 1 . 2]" 1
777 1 71 ARG H 1 71 ARG HA 2.747 . 3.296 2.789 2.776 2.800 . 0 0 "[ . 1 . 2]" 1
778 1 71 ARG H 1 71 ARG HB3 2.821 . 3.385 2.521 2.436 2.601 . 0 0 "[ . 1 . 2]" 1
779 1 71 ARG H 1 72 GLU H 4.904 2.452 5.885 2.724 2.661 2.795 . 0 0 "[ . 1 . 2]" 1
780 1 71 ARG H 1 73 LEU H 6.078 3.039 7.294 4.220 4.127 4.395 . 0 0 "[ . 1 . 2]" 1
781 1 71 ARG HA 1 74 TYR HB2 2.982 . 3.578 3.475 2.812 3.717 0.139 18 0 "[ . 1 . 2]" 1
782 1 71 ARG HA 1 74 TYR QB 2.539 . 3.047 2.891 2.659 3.062 0.015 11 0 "[ . 1 . 2]" 1
783 1 71 ARG H 1 75 ASP H 6.680 3.340 8.000 5.990 5.771 6.256 . 0 0 "[ . 1 . 2]" 1
784 1 64 VAL MG2 1 72 GLU H 3.368 . 4.042 4.440 4.384 4.526 0.484 10 0 "[ . 1 . 2]" 1
785 1 69 LYS HA 1 72 GLU QB 2.487 . 2.984 2.882 2.550 3.140 0.156 17 0 "[ . 1 . 2]" 1
786 1 71 ARG HA 1 72 GLU H 3.087 . 3.704 3.526 3.502 3.549 . 0 0 "[ . 1 . 2]" 1
787 1 72 GLU H 1 72 GLU QG 2.859 . 3.431 3.879 3.860 3.909 0.478 2 0 "[ . 1 . 2]" 1
788 1 72 GLU H 1 72 GLU HA 2.422 . 2.906 2.814 2.797 2.829 . 0 0 "[ . 1 . 2]" 1
789 1 72 GLU HA 1 72 GLU QB 2.071 . 2.485 2.355 2.320 2.434 . 0 0 "[ . 1 . 2]" 1
790 1 72 GLU H 1 72 GLU HB3 2.295 . 2.754 2.449 2.320 2.622 . 0 0 "[ . 1 . 2]" 1
791 1 72 GLU HB3 1 72 GLU QG 2.088 . 2.506 2.289 2.124 2.424 . 0 0 "[ . 1 . 2]" 1
792 1 72 GLU HA 1 72 GLU QG 2.445 . 2.934 2.428 2.261 2.943 0.009 3 0 "[ . 1 . 2]" 1
793 1 72 GLU H 1 73 LEU MD2 3.327 . 3.992 4.344 4.297 4.407 0.415 1 0 "[ . 1 . 2]" 1
794 1 72 GLU HB3 1 73 LEU H 2.668 . 3.202 2.602 2.457 2.752 . 0 0 "[ . 1 . 2]" 1
795 1 69 LYS QE 1 73 LEU QD 2.607 . 3.128 2.672 1.972 3.209 0.081 13 0 "[ . 1 . 2]" 1
796 1 71 ARG HA 1 73 LEU H 6.848 3.424 8.000 4.554 4.353 4.687 . 0 0 "[ . 1 . 2]" 1
797 1 72 GLU QB 1 73 LEU H 4.414 2.207 5.297 2.562 2.425 2.702 . 0 0 "[ . 1 . 2]" 1
798 1 72 GLU QG 1 73 LEU H 6.171 3.085 7.405 3.672 3.439 4.297 . 0 0 "[ . 1 . 2]" 1
799 1 72 GLU H 1 73 LEU H 4.855 2.427 5.826 2.517 2.474 2.555 . 0 0 "[ . 1 . 2]" 1
800 1 73 LEU HA 1 73 LEU HG 2.882 . 3.458 3.387 3.353 3.425 . 0 0 "[ . 1 . 2]" 1
801 1 73 LEU H 1 73 LEU HB2 2.556 . 3.067 2.584 2.551 2.617 . 0 0 "[ . 1 . 2]" 1
802 1 73 LEU HA 1 73 LEU HB3 2.301 . 2.761 2.381 2.372 2.402 . 0 0 "[ . 1 . 2]" 1
803 1 73 LEU H 1 73 LEU MD1 2.904 . 3.485 3.644 3.579 3.705 0.220 20 0 "[ . 1 . 2]" 1
804 1 73 LEU HB2 1 73 LEU MD1 2.182 . 2.618 2.418 2.392 2.454 . 0 0 "[ . 1 . 2]" 1
805 1 73 LEU HA 1 73 LEU MD2 2.072 . 2.486 2.160 2.083 2.209 . 0 0 "[ . 1 . 2]" 1
806 1 73 LEU H 1 73 LEU HB3 2.741 . 3.289 3.523 3.503 3.539 0.250 8 0 "[ . 1 . 2]" 1
807 1 73 LEU HB2 1 73 LEU QD 2.529 . 3.035 2.350 2.327 2.380 . 0 0 "[ . 1 . 2]" 1
808 1 73 LEU H 1 73 LEU MD2 2.755 . 3.306 2.642 2.617 2.681 . 0 0 "[ . 1 . 2]" 1
809 1 73 LEU HA 1 73 LEU HB2 2.568 . 3.082 3.007 2.996 3.015 . 0 0 "[ . 1 . 2]" 1
810 1 73 LEU HA 1 73 LEU QD 2.208 . 2.650 2.148 2.072 2.195 . 0 0 "[ . 1 . 2]" 1
811 1 73 LEU HB3 1 73 LEU QD 2.433 . 2.920 2.122 2.095 2.133 . 0 0 "[ . 1 . 2]" 1
812 1 73 LEU H 1 73 LEU HG 2.704 . 3.245 2.071 1.989 2.166 . 0 0 "[ . 1 . 2]" 1
813 1 73 LEU H 1 73 LEU QD 5.350 2.675 6.420 2.583 2.561 2.614 0.114 6 0 "[ . 1 . 2]" 1
814 1 73 LEU H 1 73 LEU HA 2.523 . 3.028 2.799 2.785 2.810 . 0 0 "[ . 1 . 2]" 1
815 1 73 LEU H 1 74 TYR QB 6.781 3.391 8.000 4.335 4.225 4.411 . 0 0 "[ . 1 . 2]" 1
816 1 73 LEU HB3 1 76 LYS H 5.052 2.526 6.062 5.303 4.997 5.623 . 0 0 "[ . 1 . 2]" 1
817 1 64 VAL MG2 1 74 TYR H 6.248 3.124 7.498 3.752 3.475 4.009 . 0 0 "[ . 1 . 2]" 1
818 1 71 ARG HA 1 74 TYR H 3.098 . 3.718 3.693 3.503 3.820 0.102 1 0 "[ . 1 . 2]" 1
819 1 73 LEU HA 1 74 TYR H 3.128 2.311 3.754 3.530 3.492 3.555 . 0 0 "[ . 1 . 2]" 1
820 1 73 LEU HB3 1 74 TYR H 3.158 . 3.790 3.733 3.650 3.845 0.055 20 0 "[ . 1 . 2]" 1
821 1 73 LEU H 1 74 TYR H 4.568 2.284 5.482 2.586 2.519 2.628 . 0 0 "[ . 1 . 2]" 1
822 1 73 LEU HB2 1 74 TYR H 3.034 . 3.641 2.523 2.384 2.725 . 0 0 "[ . 1 . 2]" 1
823 1 73 LEU MD2 1 74 TYR H 6.549 3.275 7.859 4.394 4.371 4.438 . 0 0 "[ . 1 . 2]" 1
824 1 74 TYR H 1 74 TYR HB3 2.575 . 3.090 2.788 2.445 3.460 0.370 19 0 "[ . 1 . 2]" 1
825 1 74 TYR H 1 74 TYR HB2 2.645 . 3.174 2.343 2.069 2.569 . 0 0 "[ . 1 . 2]" 1
826 1 74 TYR HA 1 74 TYR QB 2.331 . 2.797 2.425 2.329 2.531 . 0 0 "[ . 1 . 2]" 1
827 1 74 TYR H 1 74 TYR HA 2.576 . 3.091 2.808 2.788 2.832 . 0 0 "[ . 1 . 2]" 1
828 1 74 TYR HA 1 74 TYR HB2 2.718 . 3.262 2.600 2.423 2.966 . 0 0 "[ . 1 . 2]" 1
829 1 74 TYR HA 1 74 TYR HB3 2.630 . 3.156 2.966 2.602 3.043 . 0 0 "[ . 1 . 2]" 1
830 1 74 TYR H 1 74 TYR QB 4.143 2.072 4.972 2.201 2.045 2.273 0.027 15 0 "[ . 1 . 2]" 1
831 1 71 ARG HA 1 75 ASP H 6.143 3.072 7.372 4.049 3.766 4.359 . 0 0 "[ . 1 . 2]" 1
832 1 72 GLU HA 1 75 ASP H 3.034 . 3.641 3.529 3.311 3.724 0.083 1 0 "[ . 1 . 2]" 1
833 1 72 GLU HA 1 75 ASP QB 2.545 . 3.054 2.687 2.388 3.027 . 0 0 "[ . 1 . 2]" 1
834 1 73 LEU HB3 1 75 ASP H 6.666 3.333 7.999 5.764 5.513 5.904 . 0 0 "[ . 1 . 2]" 1
835 1 73 LEU H 1 75 ASP H 5.859 2.929 7.031 4.145 3.928 4.292 . 0 0 "[ . 1 . 2]" 1
836 1 74 TYR HB3 1 75 ASP H 2.871 . 3.445 2.587 2.367 3.514 0.069 3 0 "[ . 1 . 2]" 1
837 1 74 TYR HB2 1 75 ASP H 2.910 . 3.492 3.567 2.948 3.751 0.259 13 0 "[ . 1 . 2]" 1
838 1 74 TYR QB 1 75 ASP H 4.584 2.292 5.501 2.477 2.343 2.807 . 0 0 "[ . 1 . 2]" 1
839 1 74 TYR HA 1 75 ASP H 3.130 . 3.756 3.516 3.478 3.571 . 0 0 "[ . 1 . 2]" 1
840 1 74 TYR H 1 75 ASP H 4.728 2.364 5.674 2.670 2.553 2.758 . 0 0 "[ . 1 . 2]" 1
841 1 75 ASP HA 1 75 ASP QB 2.281 . 2.737 2.420 2.337 2.535 . 0 0 "[ . 1 . 2]" 1
842 1 75 ASP H 1 75 ASP HA 2.595 . 3.114 2.819 2.801 2.844 . 0 0 "[ . 1 . 2]" 1
843 1 75 ASP H 1 75 ASP QB 4.216 2.108 5.059 2.262 2.106 2.399 0.002 1 0 "[ . 1 . 2]" 1
844 1 75 ASP H 1 76 LYS H 4.660 2.330 5.592 2.652 2.597 2.761 . 0 0 "[ . 1 . 2]" 1
845 1 74 TYR HA 1 76 LYS H 3.395 . 4.074 4.195 4.038 4.351 0.277 13 0 "[ . 1 . 2]" 1
846 1 75 ASP HA 1 76 LYS H 3.007 . 3.608 3.491 3.424 3.542 . 0 0 "[ . 1 . 2]" 1
847 1 75 ASP QB 1 76 LYS H 5.140 2.570 6.168 2.791 2.663 3.081 . 0 0 "[ . 1 . 2]" 1
848 1 76 LYS HA 1 76 LYS QB 2.240 . 2.688 2.359 2.164 2.425 . 0 0 "[ . 1 . 2]" 1
849 1 76 LYS QB 1 76 LYS QD 1.870 . 2.244 2.140 2.060 2.324 0.080 5 0 "[ . 1 . 2]" 1
850 1 76 LYS H 1 76 LYS HA 2.433 . 2.920 2.869 2.811 2.927 0.007 3 0 "[ . 1 . 2]" 1
851 1 76 LYS HA 1 76 LYS QD 2.704 . 4.245 3.709 1.842 4.240 . 0 0 "[ . 1 . 2]" 1
852 1 76 LYS H 1 76 LYS QB 3.949 . 4.739 2.335 2.231 2.834 . 0 0 "[ . 1 . 2]" 1
853 1 76 LYS QB 1 77 GLY QA 3.536 . 4.243 3.864 3.511 4.124 . 0 0 "[ . 1 . 2]" 1
854 1 76 LYS QB 1 77 GLY H 5.070 2.535 6.084 2.921 2.467 3.695 0.068 10 0 "[ . 1 . 2]" 1
855 1 74 TYR HA 1 77 GLY H 3.186 . 3.823 3.485 3.106 3.665 . 0 0 "[ . 1 . 2]" 1
856 1 75 ASP HA 1 77 GLY H 6.318 3.159 7.582 4.157 3.566 4.707 . 0 0 "[ . 1 . 2]" 1
857 1 76 LYS QD 1 77 GLY QA 3.456 . 5.147 5.179 4.682 5.539 0.392 20 0 "[ . 1 . 2]" 1
858 1 76 LYS HA 1 77 GLY H 2.872 2.550 3.446 3.433 3.268 3.548 0.102 10 0 "[ . 1 . 2]" 1
859 1 77 GLY H 1 77 GLY QA 2.195 . 2.634 2.327 2.205 2.490 . 0 0 "[ . 1 . 2]" 1
860 1 12 VAL QG 1 13 LYS HA 3.540 . 4.248 3.743 3.283 4.205 . 0 0 "[ . 1 . 2]" 1
861 1 12 VAL QG 1 14 GLU H 6.271 3.135 7.525 3.827 2.997 4.930 0.138 6 0 "[ . 1 . 2]" 1
862 1 12 VAL QG 1 13 LYS H 5.879 2.940 7.055 3.219 2.815 3.692 0.125 16 0 "[ . 1 . 2]" 1
863 1 14 GLU H 1 14 GLU HB3 5.151 2.575 6.181 3.501 2.938 3.638 . 0 0 "[ . 1 . 2]" 1
864 1 16 THR H 1 17 TYR HA 5.965 2.983 7.158 5.430 4.908 5.575 . 0 0 "[ . 1 . 2]" 1
865 1 16 THR H 1 18 TYR HB3 6.474 3.237 7.769 6.427 6.009 7.004 . 0 0 "[ . 1 . 2]" 1
866 1 16 THR MG 1 19 ASP HB3 3.139 . 3.767 3.296 2.903 3.934 0.167 17 0 "[ . 1 . 2]" 1
867 1 18 TYR H 1 19 ASP HB3 5.279 2.639 6.335 4.780 4.599 4.877 . 0 0 "[ . 1 . 2]" 1
868 1 18 TYR HB2 1 23 VAL MG1 3.263 . 3.916 4.016 3.743 4.159 0.243 17 0 "[ . 1 . 2]" 1
869 1 18 TYR H 1 25 PRO HB3 6.551 3.275 7.861 7.243 6.563 7.889 0.028 9 0 "[ . 1 . 2]" 1
870 1 16 THR HA 1 19 ASP HB3 3.226 . 3.871 4.278 4.199 4.341 0.470 2 0 "[ . 1 . 2]" 1
871 1 19 ASP HB2 1 20 VAL MG2 2.972 . 4.566 4.639 4.543 4.696 0.130 3 0 "[ . 1 . 2]" 1
872 1 15 THR MG 1 20 VAL MG1 2.325 . 3.790 3.900 3.616 4.192 0.402 18 0 "[ . 1 . 2]" 1
873 1 18 TYR HB3 1 21 LEU H 7.148 3.574 8.000 5.368 5.217 5.542 . 0 0 "[ . 1 . 2]" 1
874 1 21 LEU H 1 21 LEU MD2 5.158 2.579 6.190 3.222 2.459 4.336 0.120 13 0 "[ . 1 . 2]" 1
875 1 21 LEU MD1 1 22 GLY H 5.719 2.860 6.863 4.872 4.772 5.185 . 0 0 "[ . 1 . 2]" 1
876 1 21 LEU MD2 1 61 ALA MB 2.137 . 2.564 2.114 1.698 2.706 0.142 18 0 "[ . 1 . 2]" 1
877 1 21 LEU MD1 1 62 TYR HB3 2.641 . 4.169 3.877 3.574 4.213 0.044 10 0 "[ . 1 . 2]" 1
878 1 18 TYR HB3 1 22 GLY H 6.600 3.300 7.920 5.503 5.331 5.733 . 0 0 "[ . 1 . 2]" 1
879 1 21 LEU HG 1 22 GLY H 5.700 2.850 6.840 5.295 4.613 5.701 . 0 0 "[ . 1 . 2]" 1
880 1 22 GLY QA 1 35 ALA MB 3.406 . 4.087 4.074 3.868 4.223 0.136 8 0 "[ . 1 . 2]" 1
881 1 24 LYS H 1 24 LYS QG 5.250 2.625 6.300 2.646 2.362 3.354 0.263 14 0 "[ . 1 . 2]" 1
882 1 24 LYS HA 1 26 ASN H 4.882 2.441 5.858 3.928 3.817 4.057 . 0 0 "[ . 1 . 2]" 1
883 1 24 LYS QG 1 26 ASN H 5.047 2.524 6.056 4.449 4.181 4.596 . 0 0 "[ . 1 . 2]" 1
884 1 25 PRO HB2 1 26 ASN H 4.982 2.491 5.978 3.348 3.079 3.499 . 0 0 "[ . 1 . 2]" 1
885 1 23 VAL HA 1 27 ALA H 5.901 2.951 7.081 6.414 6.311 6.576 . 0 0 "[ . 1 . 2]" 1
886 1 27 ALA HA 1 31 GLU HB3 2.697 . 3.236 3.178 3.056 3.269 0.033 10 0 "[ . 1 . 2]" 1
887 1 23 VAL HB 1 27 ALA H 5.328 2.664 6.394 6.655 6.568 6.727 0.333 13 0 "[ . 1 . 2]" 1
888 1 24 LYS HA 1 27 ALA H 4.955 2.477 5.946 4.762 4.568 4.922 . 0 0 "[ . 1 . 2]" 1
889 1 30 GLU H 1 31 GLU HB2 4.808 2.404 5.770 4.761 4.649 4.901 . 0 0 "[ . 1 . 2]" 1
890 1 23 VAL MG2 1 31 GLU H 6.993 3.497 8.000 5.116 4.967 5.319 . 0 0 "[ . 1 . 2]" 1
891 1 29 GLN HA 1 31 GLU H 6.242 3.121 7.490 4.426 4.348 4.514 . 0 0 "[ . 1 . 2]" 1
892 1 30 GLU HB2 1 31 GLU H 4.587 2.293 5.504 3.739 3.554 3.828 . 0 0 "[ . 1 . 2]" 1
893 1 31 GLU H 1 31 GLU HA 4.984 2.492 5.981 2.785 2.774 2.795 . 0 0 "[ . 1 . 2]" 1
894 1 31 GLU HA 1 34 LYS H 4.307 2.153 5.168 3.285 3.078 3.470 . 0 0 "[ . 1 . 2]" 1
895 1 23 VAL MG2 1 32 LEU H 5.555 2.778 6.666 3.831 3.612 4.150 . 0 0 "[ . 1 . 2]" 1
896 1 27 ALA H 1 32 LEU MD2 6.079 3.040 7.295 5.174 4.942 5.388 . 0 0 "[ . 1 . 2]" 1
897 1 31 GLU HB2 1 32 LEU MD1 3.224 . 3.869 4.236 4.130 4.303 0.434 11 0 "[ . 1 . 2]" 1
898 1 32 LEU H 1 32 LEU MD2 4.348 2.174 5.218 3.009 2.821 3.174 . 0 0 "[ . 1 . 2]" 1
899 1 32 LEU MD1 1 35 ALA H 5.680 2.840 6.816 4.730 4.540 4.878 . 0 0 "[ . 1 . 2]" 1
900 1 32 LEU MD2 1 67 ASP H 6.219 3.110 7.463 4.675 4.339 5.211 . 0 0 "[ . 1 . 2]" 1
901 1 33 LYS H 1 35 ALA MB 5.220 2.610 6.264 4.861 4.758 5.003 . 0 0 "[ . 1 . 2]" 1
902 1 33 LYS H 1 36 TYR HB2 6.605 3.302 7.926 5.962 5.641 6.295 . 0 0 "[ . 1 . 2]" 1
903 1 30 GLU HA 1 34 LYS H 5.688 2.844 6.826 4.236 4.034 4.448 . 0 0 "[ . 1 . 2]" 1
904 1 31 GLU HA 1 35 ALA H 4.642 2.321 5.570 3.987 3.840 4.225 . 0 0 "[ . 1 . 2]" 1
905 1 31 GLU HB3 1 35 ALA H 6.276 3.138 7.531 5.623 5.492 5.708 . 0 0 "[ . 1 . 2]" 1
906 1 34 LYS H 1 35 ALA MB 4.201 2.100 5.041 4.366 4.291 4.433 . 0 0 "[ . 1 . 2]" 1
907 1 35 ALA HA 1 39 LEU QD 3.238 . 3.886 3.879 3.826 3.936 0.050 13 0 "[ . 1 . 2]" 1
908 1 35 ALA MB 1 39 LEU QD 2.371 . 2.845 2.913 2.804 2.981 0.136 12 0 "[ . 1 . 2]" 1
909 1 34 LYS QB 1 36 TYR H 5.507 2.753 6.608 4.808 4.703 4.968 . 0 0 "[ . 1 . 2]" 1
910 1 35 ALA MB 1 37 ARG H 4.889 2.444 5.867 4.517 4.409 4.612 . 0 0 "[ . 1 . 2]" 1
911 1 37 ARG H 1 38 LYS HA 5.149 2.575 6.179 5.318 5.206 5.360 . 0 0 "[ . 1 . 2]" 1
912 1 37 ARG H 1 39 LEU QD 6.206 3.103 7.447 5.161 4.974 5.338 . 0 0 "[ . 1 . 2]" 1
913 1 37 ARG HB2 1 38 LYS H 3.727 . 4.472 3.676 2.620 3.972 . 0 0 "[ . 1 . 2]" 1
914 1 38 LYS H 1 39 LEU QD 6.159 3.079 7.391 4.495 4.413 4.582 . 0 0 "[ . 1 . 2]" 1
915 1 38 LYS QB 1 39 LEU H 3.714 . 4.457 2.406 2.292 2.531 . 0 0 "[ . 1 . 2]" 1
916 1 39 LEU QD 1 39 LEU HG 1.720 . 2.064 1.893 1.886 1.900 . 0 0 "[ . 1 . 2]" 1
917 1 39 LEU HA 1 39 LEU QD 1.952 . 2.342 2.104 2.059 2.143 . 0 0 "[ . 1 . 2]" 1
918 1 39 LEU HB2 1 39 LEU QD 1.935 . 2.322 2.268 2.228 2.310 . 0 0 "[ . 1 . 2]" 1
919 1 39 LEU H 1 39 LEU QD 2.570 2.423 3.084 2.789 2.747 2.842 . 0 0 "[ . 1 . 2]" 1
920 1 39 LEU HB3 1 39 LEU QD 2.178 . 2.614 2.116 2.096 2.142 . 0 0 "[ . 1 . 2]" 1
921 1 39 LEU H 1 41 LEU H 6.529 3.265 7.835 4.208 4.096 4.296 . 0 0 "[ . 1 . 2]" 1
922 1 38 LYS QB 1 40 ALA H 4.843 2.421 5.812 4.586 4.474 4.685 . 0 0 "[ . 1 . 2]" 1
923 1 39 LEU QD 1 40 ALA H 2.713 . 4.256 3.916 3.852 3.967 . 0 0 "[ . 1 . 2]" 1
924 1 40 ALA H 1 41 LEU HB3 5.555 2.778 6.666 6.224 6.176 6.294 . 0 0 "[ . 1 . 2]" 1
925 1 40 ALA H 1 41 LEU HB2 6.056 3.028 7.267 4.823 4.762 4.900 . 0 0 "[ . 1 . 2]" 1
926 1 38 LYS QB 1 41 LEU H 6.253 3.127 7.504 5.165 5.042 5.287 . 0 0 "[ . 1 . 2]" 1
927 1 41 LEU MD1 1 41 LEU HG 2.094 . 2.513 2.115 2.108 2.121 . 0 0 "[ . 1 . 2]" 1
928 1 41 LEU MD2 1 41 LEU HG 2.046 . 2.455 2.128 2.121 2.136 . 0 0 "[ . 1 . 2]" 1
929 1 41 LEU QD 1 42 LYS H 6.142 3.071 7.370 4.077 4.005 4.168 . 0 0 "[ . 1 . 2]" 1
930 1 41 LEU HG 1 42 LYS H 5.158 2.579 6.190 4.384 4.263 4.469 . 0 0 "[ . 1 . 2]" 1
931 1 43 TYR HA 1 48 ASN H 5.257 2.629 6.308 5.347 4.785 5.802 . 0 0 "[ . 1 . 2]" 1
932 1 44 HIS H 1 46 ASP H 6.850 3.425 8.000 5.685 5.513 5.890 . 0 0 "[ . 1 . 2]" 1
933 1 45 PRO QD 1 48 ASN H 5.030 2.515 6.036 4.933 4.821 5.002 . 0 0 "[ . 1 . 2]" 1
934 1 46 ASP HA 1 48 ASN H 5.486 2.743 6.583 4.703 4.273 4.949 . 0 0 "[ . 1 . 2]" 1
935 1 48 ASN H 1 52 GLY HA3 6.210 3.105 7.452 6.610 6.030 7.370 . 0 0 "[ . 1 . 2]" 1
936 1 49 PRO HD2 1 49 PRO QG 2.365 . 2.838 2.133 2.122 2.158 . 0 0 "[ . 1 . 2]" 1
937 1 49 PRO HD3 1 49 PRO QG 2.304 . 2.765 2.233 2.116 2.250 . 0 0 "[ . 1 . 2]" 1
938 1 49 PRO HG3 1 50 ASN H 5.413 2.706 6.496 4.017 3.798 4.535 . 0 0 "[ . 1 . 2]" 1
939 1 50 ASN H 1 51 GLU HG2 6.387 3.194 7.664 4.738 4.084 6.436 . 0 0 "[ . 1 . 2]" 1
940 1 50 ASN HA 1 52 GLY H 4.770 2.385 5.724 3.790 3.631 3.982 . 0 0 "[ . 1 . 2]" 1
941 1 50 ASN HB3 1 51 GLU H 6.112 3.056 7.334 3.614 2.849 4.271 0.207 8 0 "[ . 1 . 2]" 1
942 1 50 ASN HA 1 51 GLU H 4.926 2.463 5.911 3.467 3.388 3.537 . 0 0 "[ . 1 . 2]" 1
943 1 45 PRO HB3 1 52 GLY H 6.312 3.156 7.574 4.296 3.717 4.824 . 0 0 "[ . 1 . 2]" 1
944 1 49 PRO HB3 1 52 GLY H 6.252 3.126 7.502 5.536 5.355 5.688 . 0 0 "[ . 1 . 2]" 1
945 1 50 ASN HA 1 53 GLU H 4.020 2.010 4.824 4.518 4.057 4.824 . 16 0 "[ . 1 . 2]" 1
946 1 52 GLY H 1 54 LYS HB3 6.585 3.293 7.902 6.922 4.852 7.556 . 0 0 "[ . 1 . 2]" 1
947 1 51 GLU HG3 1 55 PHE H 7.262 3.631 8.000 6.825 6.090 7.432 . 0 0 "[ . 1 . 2]" 1
948 1 43 TYR HB3 1 56 LYS H 6.461 3.230 7.753 6.932 6.144 7.791 0.038 10 0 "[ . 1 . 2]" 1
949 1 52 GLY H 1 54 LYS H 6.508 3.254 7.810 4.358 4.174 4.772 . 0 0 "[ . 1 . 2]" 1
950 1 20 VAL MG1 1 58 ILE H 5.050 2.525 6.060 2.998 2.895 3.217 . 0 0 "[ . 1 . 2]" 1
951 1 43 TYR HB3 1 58 ILE H 7.326 3.663 8.000 7.397 6.613 7.963 . 0 0 "[ . 1 . 2]" 1
952 1 55 PHE HA 1 58 ILE H 2.751 . 3.301 3.002 2.846 3.215 . 0 0 "[ . 1 . 2]" 1
953 1 20 VAL MG1 1 61 ALA H 5.741 2.871 6.889 4.225 3.769 4.540 . 0 0 "[ . 1 . 2]" 1
954 1 62 TYR HB3 1 64 VAL H 6.171 3.086 7.405 5.398 5.257 5.575 . 0 0 "[ . 1 . 2]" 1
955 1 62 TYR HB2 1 66 SER H 6.413 3.206 7.696 5.465 5.301 5.861 . 0 0 "[ . 1 . 2]" 1
956 1 63 GLU HG3 1 67 ASP H 6.502 3.251 7.802 6.908 6.040 7.764 . 0 0 "[ . 1 . 2]" 1
957 1 69 LYS H 1 72 GLU HB3 6.216 3.108 7.459 5.398 5.146 5.630 . 0 0 "[ . 1 . 2]" 1
958 1 70 LYS H 1 72 GLU HB3 6.089 3.045 7.307 5.357 5.032 5.635 . 0 0 "[ . 1 . 2]" 1
959 1 68 ALA HA 1 71 ARG HB2 2.628 . 3.154 3.232 3.135 3.278 0.124 11 0 "[ . 1 . 2]" 1
960 1 69 LYS HB2 1 71 ARG H 5.744 2.872 6.893 5.708 5.576 5.769 . 0 0 "[ . 1 . 2]" 1
961 1 71 ARG HB2 1 71 ARG HD2 2.645 . 3.174 2.541 2.436 2.677 . 0 0 "[ . 1 . 2]" 1
962 1 71 ARG HA 1 71 ARG HB2 2.502 . 3.002 2.471 2.433 2.507 . 0 0 "[ . 1 . 2]" 1
963 1 71 ARG HB3 1 72 GLU H 3.608 . 4.330 2.587 2.470 2.679 . 0 0 "[ . 1 . 2]" 1
964 1 68 ALA MB 1 73 LEU H 6.064 3.032 7.277 6.453 6.277 6.662 . 0 0 "[ . 1 . 2]" 1
965 1 68 ALA MB 1 74 TYR H 6.841 3.421 8.000 7.879 7.720 8.090 0.090 19 0 "[ . 1 . 2]" 1
966 1 72 GLU QG 1 74 TYR H 6.842 3.421 8.000 5.301 5.133 5.886 . 0 0 "[ . 1 . 2]" 1
967 1 74 TYR H 1 76 LYS H 5.601 2.801 6.721 3.993 3.833 4.306 . 0 0 "[ . 1 . 2]" 1
968 1 71 ARG HB3 1 75 ASP H 6.852 3.426 8.000 5.676 5.344 5.959 . 0 0 "[ . 1 . 2]" 1
969 1 71 ARG HG3 1 75 ASP H 6.176 3.088 7.411 5.048 4.569 5.458 . 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 50
_Distance_constraint_stats_list.Viol_count 164
_Distance_constraint_stats_list.Viol_total 261.050
_Distance_constraint_stats_list.Viol_max 0.248
_Distance_constraint_stats_list.Viol_rms 0.0366
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.0796
_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 29 GLN 0.613 0.124 17 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.221 0.079 14 0 "[ . 1 . 2]"
1 33 LYS 0.613 0.124 17 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.221 0.079 14 0 "[ . 1 . 2]"
1 37 ARG 0.696 0.135 2 0 "[ . 1 . 2]"
1 38 LYS 3.534 0.223 18 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.696 0.135 2 0 "[ . 1 . 2]"
1 42 LYS 3.534 0.223 18 0 "[ . 1 . 2]"
1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.393 0.159 5 0 "[ . 1 . 2]"
1 54 LYS 2.473 0.182 5 0 "[ . 1 . 2]"
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.976 0.159 5 0 "[ . 1 . 2]"
1 57 GLN 0.013 0.013 11 0 "[ . 1 . 2]"
1 58 ILE 2.473 0.182 5 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 4.713 0.248 2 0 "[ . 1 . 2]"
1 61 ALA 0.013 0.013 11 0 "[ . 1 . 2]"
1 62 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 4.130 0.248 2 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.086 0.054 10 0 "[ . 1 . 2]"
1 69 LYS 0.068 0.040 3 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.328 0.108 3 0 "[ . 1 . 2]"
1 73 LEU 0.068 0.040 3 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.242 0.108 3 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 29 GLN O 1 33 LYS H 1.800 . 2.300 2.290 2.139 2.424 0.124 17 0 "[ . 1 . 2]" 2
2 1 29 GLN O 1 33 LYS N 2.800 2.400 3.300 3.222 3.103 3.367 0.067 17 0 "[ . 1 . 2]" 2
3 1 30 GLU O 1 34 LYS H 1.800 . 2.300 1.985 1.877 2.191 . 0 0 "[ . 1 . 2]" 2
4 1 30 GLU O 1 34 LYS N 2.800 2.400 3.300 2.895 2.780 3.043 . 0 0 "[ . 1 . 2]" 2
5 1 31 GLU O 1 35 ALA H 1.800 . 2.300 1.932 1.829 2.053 . 0 0 "[ . 1 . 2]" 2
6 1 31 GLU O 1 35 ALA N 2.800 2.400 3.300 2.856 2.764 2.972 . 0 0 "[ . 1 . 2]" 2
7 1 32 LEU O 1 36 TYR H 1.800 . 2.300 2.258 2.162 2.379 0.079 14 0 "[ . 1 . 2]" 2
8 1 32 LEU O 1 36 TYR N 2.800 2.400 3.300 3.211 3.105 3.337 0.037 14 0 "[ . 1 . 2]" 2
9 1 33 LYS O 1 37 ARG H 1.800 . 2.300 1.994 1.775 2.125 . 0 0 "[ . 1 . 2]" 2
10 1 33 LYS O 1 37 ARG N 2.800 2.400 3.300 2.936 2.731 3.088 . 0 0 "[ . 1 . 2]" 2
11 1 34 LYS O 1 38 LYS H 1.800 . 2.300 2.068 1.920 2.252 . 0 0 "[ . 1 . 2]" 2
12 1 34 LYS O 1 38 LYS N 2.800 2.400 3.300 3.002 2.850 3.182 . 0 0 "[ . 1 . 2]" 2
13 1 35 ALA O 1 39 LEU H 1.800 . 2.300 2.017 1.920 2.097 . 0 0 "[ . 1 . 2]" 2
14 1 35 ALA O 1 39 LEU N 2.800 2.400 3.300 2.984 2.891 3.066 . 0 0 "[ . 1 . 2]" 2
15 1 36 TYR O 1 40 ALA H 1.800 . 2.300 1.826 1.759 1.895 . 0 0 "[ . 1 . 2]" 2
16 1 36 TYR O 1 40 ALA N 2.800 2.400 3.300 2.753 2.696 2.813 . 0 0 "[ . 1 . 2]" 2
17 1 37 ARG O 1 41 LEU H 1.800 . 2.300 2.262 2.060 2.435 0.135 2 0 "[ . 1 . 2]" 2
18 1 37 ARG O 1 41 LEU N 2.800 2.400 3.300 3.156 2.951 3.350 0.050 2 0 "[ . 1 . 2]" 2
19 1 38 LYS O 1 42 LYS H 1.800 . 2.300 2.429 2.322 2.523 0.223 18 0 "[ . 1 . 2]" 2
20 1 38 LYS O 1 42 LYS N 2.800 2.400 3.300 3.337 3.195 3.443 0.143 18 0 "[ . 1 . 2]" 2
21 1 39 LEU O 1 43 TYR H 1.800 . 2.300 1.721 1.683 1.767 . 0 0 "[ . 1 . 2]" 2
22 1 39 LEU O 1 43 TYR N 2.800 2.400 3.300 2.693 2.654 2.749 . 0 0 "[ . 1 . 2]" 2
23 1 52 GLY O 1 56 LYS H 1.800 . 2.300 2.238 2.057 2.459 0.159 5 0 "[ . 1 . 2]" 2
24 1 52 GLY O 1 56 LYS N 2.800 2.400 3.300 3.003 2.892 3.163 . 0 0 "[ . 1 . 2]" 2
25 1 54 LYS O 1 58 ILE H 1.800 . 2.300 2.373 2.088 2.482 0.182 5 0 "[ . 1 . 2]" 2
26 1 54 LYS O 1 58 ILE N 2.800 2.400 3.300 3.296 3.012 3.405 0.105 5 0 "[ . 1 . 2]" 2
27 1 55 PHE O 1 59 SER H 1.800 . 2.300 1.835 1.790 1.907 . 0 0 "[ . 1 . 2]" 2
28 1 55 PHE O 1 59 SER N 2.800 2.400 3.300 2.776 2.743 2.840 . 0 0 "[ . 1 . 2]" 2
29 1 56 LYS O 1 60 GLN H 1.800 . 2.300 2.269 2.068 2.391 0.091 4 0 "[ . 1 . 2]" 2
30 1 56 LYS O 1 60 GLN N 2.800 2.400 3.300 3.197 3.014 3.351 0.051 4 0 "[ . 1 . 2]" 2
31 1 57 GLN O 1 61 ALA H 1.800 . 2.300 2.152 1.996 2.313 0.013 11 0 "[ . 1 . 2]" 2
32 1 57 GLN O 1 61 ALA N 2.800 2.400 3.300 3.127 2.964 3.292 . 0 0 "[ . 1 . 2]" 2
33 1 58 ILE O 1 62 TYR H 1.800 . 2.300 1.877 1.787 2.036 . 0 0 "[ . 1 . 2]" 2
34 1 58 ILE O 1 62 TYR N 2.800 2.400 3.300 2.825 2.730 2.962 . 0 0 "[ . 1 . 2]" 2
35 1 59 SER O 1 63 GLU H 1.800 . 2.300 2.050 1.924 2.224 . 0 0 "[ . 1 . 2]" 2
36 1 59 SER O 1 63 GLU N 2.800 2.400 3.300 2.887 2.796 3.078 . 0 0 "[ . 1 . 2]" 2
37 1 60 GLN O 1 64 VAL H 1.800 . 2.300 2.432 2.348 2.548 0.248 2 0 "[ . 1 . 2]" 2
38 1 60 GLN O 1 64 VAL N 2.800 2.400 3.300 3.374 3.288 3.475 0.175 2 0 "[ . 1 . 2]" 2
39 1 61 ALA O 1 65 LEU H 1.800 . 2.300 1.806 1.742 1.861 . 0 0 "[ . 1 . 2]" 2
40 1 61 ALA O 1 65 LEU N 2.800 2.400 3.300 2.729 2.671 2.788 . 0 0 "[ . 1 . 2]" 2
41 1 68 ALA O 1 72 GLU H 1.800 . 2.300 2.187 2.035 2.354 0.054 10 0 "[ . 1 . 2]" 2
42 1 68 ALA O 1 72 GLU N 2.800 2.400 3.300 2.992 2.865 3.165 . 0 0 "[ . 1 . 2]" 2
43 1 69 LYS O 1 73 LEU H 1.800 . 2.300 2.120 1.909 2.340 0.040 3 0 "[ . 1 . 2]" 2
44 1 69 LYS O 1 73 LEU N 2.800 2.400 3.300 3.051 2.840 3.291 . 0 0 "[ . 1 . 2]" 2
45 1 70 LYS O 1 74 TYR H 1.800 . 2.300 1.968 1.783 2.233 . 0 0 "[ . 1 . 2]" 2
46 1 70 LYS O 1 74 TYR N 2.800 2.400 3.300 2.907 2.738 3.170 . 0 0 "[ . 1 . 2]" 2
47 1 71 ARG O 1 75 ASP H 1.800 . 2.300 1.992 1.769 2.226 . 0 0 "[ . 1 . 2]" 2
48 1 71 ARG O 1 75 ASP N 2.800 2.400 3.300 2.930 2.736 3.190 . 0 0 "[ . 1 . 2]" 2
49 1 72 GLU O 1 76 LYS H 1.800 . 2.300 2.140 1.948 2.408 0.108 3 0 "[ . 1 . 2]" 2
50 1 72 GLU O 1 76 LYS N 2.800 2.400 3.300 2.975 2.791 3.306 0.006 3 0 "[ . 1 . 2]" 2
stop_
save_