NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596635 |
2n5b   |
25703 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5b
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 1191
_Distance_constraint_stats_list.Viol_count 3274
_Distance_constraint_stats_list.Viol_total 7388.855
_Distance_constraint_stats_list.Viol_max 1.316
_Distance_constraint_stats_list.Viol_rms 0.0604
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.1128
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.112 0.105 10 0 "[ . 1 . 2]"
1 2 VAL 5.905 0.238 4 0 "[ . 1 . 2]"
1 3 THR 8.151 0.236 4 0 "[ . 1 . 2]"
1 4 GLN 7.408 0.444 19 0 "[ . 1 . 2]"
1 5 PHE 12.206 0.427 4 0 "[ . 1 . 2]"
1 6 LYS 10.242 0.444 19 0 "[ . 1 . 2]"
1 7 THR 7.014 0.362 15 0 "[ . 1 . 2]"
1 8 ALA 3.572 0.779 6 1 "[ .+ 1 . 2]"
1 9 SER 0.556 0.242 13 0 "[ . 1 . 2]"
1 10 GLU 6.759 0.362 15 0 "[ . 1 . 2]"
1 11 PHE 5.331 0.164 20 0 "[ . 1 . 2]"
1 12 ASP 0.972 0.074 11 0 "[ . 1 . 2]"
1 13 SER 3.347 0.218 18 0 "[ . 1 . 2]"
1 14 ALA 5.924 0.218 18 0 "[ . 1 . 2]"
1 15 ILE 3.244 0.130 20 0 "[ . 1 . 2]"
1 16 ALA 8.661 0.218 18 0 "[ . 1 . 2]"
1 17 GLN 4.156 0.147 15 0 "[ . 1 . 2]"
1 18 ASP 6.707 0.570 3 1 "[ + . 1 . 2]"
1 19 LYS 13.891 1.316 8 2 "[ - . + 1 . 2]"
1 20 LEU 5.623 1.316 8 1 "[ . + 1 . 2]"
1 21 VAL 10.515 0.255 20 0 "[ . 1 . 2]"
1 22 VAL 2.235 0.125 12 0 "[ . 1 . 2]"
1 23 VAL 5.159 0.211 14 0 "[ . 1 . 2]"
1 24 ALA 15.712 0.823 19 2 "[ .- 1 . +2]"
1 25 PHE 3.976 0.162 19 0 "[ . 1 . 2]"
1 26 TYR 2.841 0.342 18 0 "[ . 1 . 2]"
1 27 ALA 2.235 0.212 2 0 "[ . 1 . 2]"
1 28 THR 1.429 0.303 7 0 "[ . 1 . 2]"
1 29 TRP 2.944 0.285 11 0 "[ . 1 . 2]"
1 30 CYS 2.024 0.322 7 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 9.811 0.399 10 0 "[ . 1 . 2]"
1 33 CYS 9.708 0.399 10 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 MET 3.973 0.157 5 0 "[ . 1 . 2]"
1 36 ILE 14.791 1.039 16 1 "[ . 1 .+ 2]"
1 37 ALA 8.140 0.312 17 0 "[ . 1 . 2]"
1 38 PRO 0.005 0.005 7 0 "[ . 1 . 2]"
1 39 MET 5.021 0.223 17 0 "[ . 1 . 2]"
1 40 ILE 16.729 0.290 13 0 "[ . 1 . 2]"
1 41 GLU 1.786 0.228 7 0 "[ . 1 . 2]"
1 42 LYS 12.075 0.268 4 0 "[ . 1 . 2]"
1 43 PHE 17.590 1.184 5 2 "[ + 1 .- 2]"
1 44 SER 9.294 0.320 1 0 "[ . 1 . 2]"
1 45 GLU 5.204 0.775 16 1 "[ . 1 .+ 2]"
1 46 GLN 9.542 0.641 20 3 "[ - *. 1 . +]"
1 47 TYR 26.387 0.775 16 4 "[ - *. 1 .+ *]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 7.928 0.606 1 1 "[+ . 1 . 2]"
1 50 ALA 6.429 0.606 1 1 "[+ . 1 . 2]"
1 51 ASP 5.841 0.306 13 0 "[ . 1 . 2]"
1 52 PHE 6.286 0.432 6 0 "[ . 1 . 2]"
1 53 TYR 7.366 0.238 4 0 "[ . 1 . 2]"
1 54 LYS 10.940 1.039 16 1 "[ . 1 .+ 2]"
1 55 LEU 19.440 0.823 19 2 "[ .- 1 . +2]"
1 56 ASP 2.179 0.212 2 0 "[ . 1 . 2]"
1 57 VAL 0.960 0.097 6 0 "[ . 1 . 2]"
1 58 ASP 0.830 0.421 18 0 "[ . 1 . 2]"
1 59 GLU 4.465 0.833 9 3 "[ . +- . * 2]"
1 60 LEU 9.798 0.942 6 4 "[ .+ *- . * 2]"
1 61 GLY 0.505 0.055 5 0 "[ . 1 . 2]"
1 62 ASP 6.438 0.942 6 2 "[ .+ 1 .- 2]"
1 63 VAL 5.576 0.842 6 1 "[ .+ 1 . 2]"
1 64 ALA 1.021 0.072 7 0 "[ . 1 . 2]"
1 65 GLN 1.546 0.124 10 0 "[ . 1 . 2]"
1 66 LYS 3.073 0.106 2 0 "[ . 1 . 2]"
1 67 ASN 3.683 0.162 19 0 "[ . 1 . 2]"
1 68 GLU 0.973 0.136 9 0 "[ . 1 . 2]"
1 69 VAL 1.372 0.124 10 0 "[ . 1 . 2]"
1 70 SER 1.257 0.317 20 0 "[ . 1 . 2]"
1 71 ALA 0.125 0.052 13 0 "[ . 1 . 2]"
1 72 MET 1.997 0.250 4 0 "[ . 1 . 2]"
1 74 THR 5.338 0.339 13 0 "[ . 1 . 2]"
1 75 LEU 4.269 1.054 4 1 "[ +. 1 . 2]"
1 76 LEU 5.163 0.543 5 1 "[ + 1 . 2]"
1 77 LEU 16.512 0.398 2 0 "[ . 1 . 2]"
1 78 PHE 4.977 0.255 20 0 "[ . 1 . 2]"
1 79 LYS 6.393 0.715 14 3 "[- . * +. 2]"
1 80 ASN 4.054 0.483 10 0 "[ . 1 . 2]"
1 81 GLY 0.054 0.020 9 0 "[ . 1 . 2]"
1 82 LYS 24.919 0.970 7 12 "[* *.*+*-**** * *]"
1 83 GLU 7.852 0.824 7 8 "[* -.*+ * ** * 2]"
1 84 VAL 6.158 0.142 16 0 "[ . 1 . 2]"
1 85 ALA 11.996 0.315 11 0 "[ . 1 . 2]"
1 86 LYS 5.755 0.315 11 0 "[ . 1 . 2]"
1 87 VAL 6.575 1.054 4 1 "[ +. 1 . 2]"
1 88 VAL 4.199 0.234 12 0 "[ . 1 . 2]"
1 89 GLY 1.305 0.111 14 0 "[ . 1 . 2]"
1 90 ALA 1.833 0.181 9 0 "[ . 1 . 2]"
1 91 ASN 2.985 0.159 19 0 "[ . 1 . 2]"
1 92 PRO 5.589 0.277 18 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 4.698 0.182 11 0 "[ . 1 . 2]"
1 95 ILE 19.695 0.840 11 4 "[ *. *1+ . -2]"
1 96 LYS 15.264 1.184 5 1 "[ + 1 . 2]"
1 97 GLN 5.396 0.282 10 0 "[ . 1 . 2]"
1 98 ALA 17.825 0.398 2 0 "[ . 1 . 2]"
1 99 ILE 32.012 0.840 11 4 "[ *. *1+ . -2]"
1 100 ALA 13.196 0.318 16 0 "[ . 1 . 2]"
1 101 ALA 0.594 0.126 6 0 "[ . 1 . 2]"
1 102 ASN 9.490 0.313 1 0 "[ . 1 . 2]"
1 103 ALA 3.709 0.606 1 1 "[+ . 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 2 VAL HA 1 2 VAL QG 2.316 . 2.897 2.534 2.083 2.622 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLN QB 1 4 GLN HG2 2.881 . 3.918 2.073 2.035 2.201 . 0 0 "[ . 1 . 2]" 1
3 1 5 PHE HB3 1 55 LEU QD 2.779 . 3.744 2.797 2.406 2.954 . 0 0 "[ . 1 . 2]" 1
4 1 6 LYS HA 1 6 LYS QG 2.527 . 3.325 3.327 3.286 3.338 0.013 17 0 "[ . 1 . 2]" 1
5 1 6 LYS HA 1 6 LYS QB 2.218 . 2.833 2.171 2.151 2.179 . 0 0 "[ . 1 . 2]" 1
6 1 6 LYS HB2 1 6 LYS QG 2.365 . 3.064 2.305 2.248 2.357 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS QB 1 6 LYS HG3 2.463 . 3.221 2.305 2.247 2.360 . 0 0 "[ . 1 . 2]" 1
8 1 7 THR HB 1 9 SER QB 2.993 . 4.113 2.852 2.387 3.845 . 0 0 "[ . 1 . 2]" 1
9 1 9 SER HA 1 9 SER QB 2.263 . 2.903 2.338 2.176 2.404 . 0 0 "[ . 1 . 2]" 1
10 1 10 GLU HA 1 10 GLU QB 2.415 . 3.144 2.413 2.155 2.471 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLU H 1 10 GLU QB 2.923 . 3.991 2.370 2.265 2.728 . 0 0 "[ . 1 . 2]" 1
12 1 6 LYS HG2 1 10 GLU QG 2.032 . 2.548 2.392 1.975 2.746 0.198 15 0 "[ . 1 . 2]" 1
13 1 11 PHE HA 1 14 ALA MB 2.637 . 3.506 2.617 2.483 2.771 . 0 0 "[ . 1 . 2]" 1
14 1 11 PHE H 1 11 PHE HA 2.244 . 2.873 2.611 2.574 2.636 . 0 0 "[ . 1 . 2]" 1
15 1 11 PHE HA 1 12 ASP H 2.668 . 3.558 3.165 3.103 3.215 . 0 0 "[ . 1 . 2]" 1
16 1 47 TYR QB 1 50 ALA MB 2.960 . 4.055 2.034 1.820 3.651 0.045 20 0 "[ . 1 . 2]" 1
17 1 12 ASP HA 1 12 ASP QB 2.114 . 2.673 2.362 2.302 2.515 . 0 0 "[ . 1 . 2]" 1
18 1 13 SER QB 1 14 ALA MB 2.849 . 3.863 3.389 3.360 3.438 . 0 0 "[ . 1 . 2]" 1
19 1 15 ILE HB 1 15 ILE QG 2.510 . 3.298 2.426 2.402 2.439 . 0 0 "[ . 1 . 2]" 1
20 1 15 ILE H 1 15 ILE MD 2.494 . 3.271 3.098 2.645 3.347 0.076 13 0 "[ . 1 . 2]" 1
21 1 15 ILE MD 1 78 PHE QB 3.008 . 4.139 3.354 3.121 3.634 . 0 0 "[ . 1 . 2]" 1
22 1 15 ILE MD 1 15 ILE QG 1.939 . 2.409 1.886 1.884 1.888 . 0 0 "[ . 1 . 2]" 1
23 1 15 ILE HB 1 15 ILE MG 1.946 . 2.420 1.960 1.645 2.037 . 0 0 "[ . 1 . 2]" 1
24 1 17 GLN HA 1 17 GLN QB 2.450 . 3.200 2.392 2.374 2.409 . 0 0 "[ . 1 . 2]" 1
25 1 17 GLN QB 1 17 GLN HG2 2.625 . 3.486 2.324 2.286 2.365 . 0 0 "[ . 1 . 2]" 1
26 1 19 LYS QB 1 19 LYS QG 2.313 . 2.982 2.060 1.954 2.085 . 0 0 "[ . 1 . 2]" 1
27 1 19 LYS QD 1 19 LYS QG 2.258 . 2.895 2.005 1.947 2.029 . 0 0 "[ . 1 . 2]" 1
28 1 20 LEU QD 1 21 VAL HA 2.235 . 2.859 2.911 2.825 2.984 0.125 12 0 "[ . 1 . 2]" 1
29 1 36 ILE HB 1 36 ILE QG 2.658 . 3.541 2.158 2.147 2.169 . 0 0 "[ . 1 . 2]" 1
30 1 39 MET HA 1 39 MET HB2 2.068 . 2.602 2.683 2.605 2.765 0.163 13 0 "[ . 1 . 2]" 1
31 1 4 GLN QB 1 4 GLN QG 2.308 . 2.974 2.025 2.004 2.077 . 0 0 "[ . 1 . 2]" 1
32 1 40 ILE HA 1 41 GLU H 3.116 . 4.330 3.341 3.277 3.407 . 0 0 "[ . 1 . 2]" 1
33 1 42 LYS QD 1 43 PHE HA 2.876 . 3.910 3.948 2.545 4.104 0.194 2 0 "[ . 1 . 2]" 1
34 1 42 LYS HD2 1 42 LYS QG 1.848 . 2.275 2.313 2.168 2.457 0.182 12 0 "[ . 1 . 2]" 1
35 1 45 GLU HA 1 45 GLU QB 1.958 . 2.437 2.391 2.342 2.468 0.031 11 0 "[ . 1 . 2]" 1
36 1 42 LYS QG 1 46 GLN QG 2.699 . 3.610 2.994 2.591 3.584 . 0 0 "[ . 1 . 2]" 1
37 1 47 TYR HA 1 47 TYR QB 2.282 . 2.933 2.243 2.111 2.533 . 0 0 "[ . 1 . 2]" 1
38 1 32 PRO HA 1 35 MET HG2 2.128 . 2.694 1.925 1.770 2.027 . 0 0 "[ . 1 . 2]" 1
39 1 32 PRO HA 1 35 MET H 2.797 . 3.775 3.302 3.022 3.485 . 0 0 "[ . 1 . 2]" 1
40 1 49 GLN HA 1 49 GLN QG 2.540 . 3.346 3.162 2.290 3.487 0.141 9 0 "[ . 1 . 2]" 1
41 1 49 GLN HB2 1 49 GLN QG 2.599 . 3.444 2.330 2.133 2.522 . 0 0 "[ . 1 . 2]" 1
42 1 49 GLN HE21 1 49 GLN QG 2.537 . 3.342 2.202 2.086 2.269 . 0 0 "[ . 1 . 2]" 1
43 1 49 GLN HG2 1 50 ALA MB 2.971 . 4.075 3.736 3.052 4.681 0.606 1 1 "[+ . 1 . 2]" 1
44 1 2 VAL QG 1 54 LYS HA 2.534 . 3.337 3.435 3.342 3.549 0.212 3 0 "[ . 1 . 2]" 1
45 1 94 ALA HA 1 97 GLN QB 2.019 . 2.528 2.641 2.578 2.710 0.182 11 0 "[ . 1 . 2]" 1
46 1 59 GLU HA 1 59 GLU QB 1.931 . 2.397 2.370 2.139 2.443 0.046 4 0 "[ . 1 . 2]" 1
47 1 59 GLU HB3 1 59 GLU QG 2.306 . 2.971 2.348 2.126 2.418 . 0 0 "[ . 1 . 2]" 1
48 1 60 LEU QB 1 63 VAL QG 2.601 . 3.446 1.859 1.723 2.647 0.033 6 0 "[ . 1 . 2]" 1
49 1 57 VAL HB 1 64 ALA MB 2.490 . 3.265 2.986 2.595 3.138 . 0 0 "[ . 1 . 2]" 1
50 1 65 GLN HA 1 65 GLN QB 2.368 . 3.069 2.385 2.361 2.406 . 0 0 "[ . 1 . 2]" 1
51 1 25 PHE H 1 74 THR MG 2.847 . 3.861 3.594 3.367 3.856 . 0 0 "[ . 1 . 2]" 1
52 1 24 ALA HA 1 75 LEU QB 2.869 . 3.898 3.796 3.401 3.864 . 0 0 "[ . 1 . 2]" 1
53 1 76 LEU HA 1 76 LEU HG 2.681 . 3.579 3.142 3.065 3.460 . 0 0 "[ . 1 . 2]" 1
54 1 76 LEU HA 1 76 LEU QD 1.956 . 2.434 2.018 1.904 2.172 . 0 0 "[ . 1 . 2]" 1
55 1 86 LYS HB2 1 86 LYS QG 2.490 . 3.265 2.314 2.134 2.523 . 0 0 "[ . 1 . 2]" 1
56 1 24 ALA HA 1 75 LEU QD 2.289 . 2.944 2.320 2.208 2.430 . 0 0 "[ . 1 . 2]" 1
57 1 77 LEU HB3 1 77 LEU QD 2.707 . 3.623 2.108 2.074 2.122 . 0 0 "[ . 1 . 2]" 1
58 1 77 LEU QD 1 77 LEU HG 2.122 . 2.685 1.897 1.889 1.905 . 0 0 "[ . 1 . 2]" 1
59 1 22 VAL HB 1 77 LEU MD2 1.830 . 2.249 1.742 1.674 2.287 0.038 4 0 "[ . 1 . 2]" 1
60 1 78 PHE HA 1 78 PHE QB 2.277 . 2.925 2.459 2.414 2.508 . 0 0 "[ . 1 . 2]" 1
61 1 78 PHE HA 1 79 LYS QB 2.860 . 3.882 3.385 3.148 3.557 . 0 0 "[ . 1 . 2]" 1
62 1 82 LYS QD 1 82 LYS HE3 2.376 . 3.082 2.312 2.167 2.364 . 0 0 "[ . 1 . 2]" 1
63 1 83 GLU HA 1 83 GLU QB 2.129 . 2.696 2.392 2.162 2.478 . 0 0 "[ . 1 . 2]" 1
64 1 77 LEU HG 1 84 VAL QG 2.313 . 2.982 2.466 2.339 2.573 . 0 0 "[ . 1 . 2]" 1
65 1 94 ALA HA 1 95 ILE H 2.099 . 2.650 2.653 2.617 2.691 0.041 12 0 "[ . 1 . 2]" 1
66 1 96 LYS HA 1 97 GLN H 2.587 . 3.423 2.990 2.929 3.054 . 0 0 "[ . 1 . 2]" 1
67 1 98 ALA H 1 98 ALA HA 2.057 . 2.586 2.496 2.213 2.548 . 0 0 "[ . 1 . 2]" 1
68 1 98 ALA HA 1 98 ALA MB 1.718 . 2.087 1.903 1.893 1.909 . 0 0 "[ . 1 . 2]" 1
69 1 99 ILE HA 1 102 ASN H 2.923 . 3.991 3.760 3.523 4.070 0.079 6 0 "[ . 1 . 2]" 1
70 1 99 ILE HA 1 99 ILE HB 2.502 . 3.285 2.534 2.272 2.653 . 0 0 "[ . 1 . 2]" 1
71 1 43 PHE QD 1 99 ILE MD 2.484 . 3.255 2.839 2.096 3.431 0.176 12 0 "[ . 1 . 2]" 1
72 1 101 ALA MB 1 102 ASN H 2.181 . 2.776 2.531 2.398 2.664 . 0 0 "[ . 1 . 2]" 1
73 1 102 ASN H 1 102 ASN HB3 2.701 . 3.613 3.108 2.873 3.181 . 0 0 "[ . 1 . 2]" 1
74 1 92 PRO HA 1 92 PRO HG3 2.869 . 3.898 3.059 2.952 3.161 . 0 0 "[ . 1 . 2]" 1
75 1 55 LEU QD 1 55 LEU HG 1.952 . 2.429 1.651 1.561 1.882 . 0 0 "[ . 1 . 2]" 1
76 1 32 PRO QB 1 90 ALA MB 2.402 . 3.123 1.902 1.750 2.563 . 0 0 "[ . 1 . 2]" 1
77 1 53 TYR HA 1 53 TYR QB 3.057 . 4.225 2.303 2.281 2.320 . 0 0 "[ . 1 . 2]" 1
78 1 93 ALA HA 1 96 LYS H 2.548 . 3.359 3.278 3.234 3.323 . 0 0 "[ . 1 . 2]" 1
79 1 32 PRO QB 1 32 PRO HG3 2.164 . 2.749 2.131 2.126 2.135 . 0 0 "[ . 1 . 2]" 1
80 1 32 PRO QG 1 90 ALA MB 2.259 . 2.897 2.983 2.847 3.078 0.181 9 0 "[ . 1 . 2]" 1
81 1 30 CYS HA 1 30 CYS HB2 2.791 . 3.765 2.010 1.884 2.170 . 0 0 "[ . 1 . 2]" 1
82 1 4 GLN H 1 5 PHE H 3.503 . 5.037 4.002 3.922 4.071 . 0 0 "[ . 1 . 2]" 1
83 1 6 LYS H 1 6 LYS QB 2.495 . 3.273 2.938 2.699 3.089 . 0 0 "[ . 1 . 2]" 1
84 1 7 THR H 1 10 GLU QG 3.014 . 4.149 2.457 1.865 2.813 0.014 15 0 "[ . 1 . 2]" 1
85 1 9 SER H 1 9 SER QB 2.879 . 3.915 2.428 2.221 2.715 . 0 0 "[ . 1 . 2]" 1
86 1 40 ILE H 1 41 GLU H 2.589 . 3.427 2.118 2.081 2.164 . 0 0 "[ . 1 . 2]" 1
87 1 13 SER H 1 13 SER HA 2.426 . 3.162 2.276 2.166 2.370 . 0 0 "[ . 1 . 2]" 1
88 1 13 SER HA 1 16 ALA H 2.430 . 3.168 3.335 3.284 3.386 0.218 18 0 "[ . 1 . 2]" 1
89 1 15 ILE H 1 16 ALA H 2.218 . 2.833 2.254 2.186 2.311 . 0 0 "[ . 1 . 2]" 1
90 1 14 ALA HA 1 17 GLN H 2.560 . 3.379 3.122 3.063 3.176 . 0 0 "[ . 1 . 2]" 1
91 1 17 GLN QB 1 19 LYS H 2.451 . 3.202 2.799 2.503 3.230 0.028 3 0 "[ . 1 . 2]" 1
92 1 19 LYS H 1 19 LYS QG 2.322 . 2.996 2.780 2.295 3.373 0.377 2 0 "[ . 1 . 2]" 1
93 1 21 VAL H 1 22 VAL H 3.120 . 4.337 3.745 3.645 3.865 . 0 0 "[ . 1 . 2]" 1
94 1 2 VAL QG 1 24 ALA H 2.736 . 3.672 2.766 2.654 3.032 . 0 0 "[ . 1 . 2]" 1
95 1 22 VAL H 1 23 VAL H 3.328 . 4.713 3.844 3.706 3.893 . 0 0 "[ . 1 . 2]" 1
96 1 33 CYS H 1 35 MET H 3.638 . 5.293 4.218 4.002 4.307 . 0 0 "[ . 1 . 2]" 1
97 1 37 ALA H 1 39 MET H 3.039 . 4.194 3.442 3.373 3.543 . 0 0 "[ . 1 . 2]" 1
98 1 41 GLU H 1 43 PHE QB 3.549 . 5.123 4.347 4.201 4.527 . 0 0 "[ . 1 . 2]" 1
99 1 40 ILE HA 1 42 LYS H 3.094 . 4.291 3.391 3.332 3.452 . 0 0 "[ . 1 . 2]" 1
100 1 42 LYS H 1 42 LYS QB 2.183 . 2.779 2.227 2.172 2.272 . 0 0 "[ . 1 . 2]" 1
101 1 44 SER H 1 45 GLU QB 3.399 . 4.843 4.123 3.872 4.430 . 0 0 "[ . 1 . 2]" 1
102 1 42 LYS H 1 44 SER H 2.924 . 3.993 3.277 3.208 3.342 . 0 0 "[ . 1 . 2]" 1
103 1 43 PHE QD 1 44 SER H 3.232 . 4.537 4.103 3.857 4.303 . 0 0 "[ . 1 . 2]" 1
104 1 45 GLU H 1 45 GLU QB 2.235 . 2.859 2.330 2.246 2.498 . 0 0 "[ . 1 . 2]" 1
105 1 42 LYS QB 1 45 GLU H 3.578 . 5.179 4.838 4.726 5.011 . 0 0 "[ . 1 . 2]" 1
106 1 43 PHE QD 1 45 GLU H 3.091 . 4.285 4.534 4.379 5.060 0.775 16 1 "[ . 1 .+ 2]" 1
107 1 46 GLN H 1 46 GLN QB 3.226 . 4.527 2.893 2.477 3.190 . 0 0 "[ . 1 . 2]" 1
108 1 47 TYR H 1 47 TYR QB 2.462 . 3.219 2.796 2.207 3.280 0.061 7 0 "[ . 1 . 2]" 1
109 1 47 TYR QB 1 49 GLN H 3.528 . 5.084 3.914 3.206 4.727 . 0 0 "[ . 1 . 2]" 1
110 1 48 PRO HA 1 49 GLN H 2.679 . 3.576 2.797 2.756 2.825 . 0 0 "[ . 1 . 2]" 1
111 1 47 TYR QB 1 50 ALA H 3.125 . 4.346 2.829 2.125 3.826 . 0 0 "[ . 1 . 2]" 1
112 1 2 VAL QG 1 52 PHE H 3.624 . 5.266 3.888 3.591 4.229 . 0 0 "[ . 1 . 2]" 1
113 1 22 VAL H 1 53 TYR H 2.990 . 4.107 3.521 3.456 3.601 . 0 0 "[ . 1 . 2]" 1
114 1 58 ASP H 1 59 GLU QG 3.430 . 4.901 4.718 4.213 5.322 0.421 18 0 "[ . 1 . 2]" 1
115 1 61 GLY H 1 63 VAL H 3.412 . 4.868 3.879 3.676 3.953 . 0 0 "[ . 1 . 2]" 1
116 1 62 ASP HA 1 66 LYS H 3.288 . 4.640 4.006 3.940 4.109 . 0 0 "[ . 1 . 2]" 1
117 1 63 VAL QG 1 67 ASN H 3.152 . 4.394 3.339 3.166 3.557 . 0 0 "[ . 1 . 2]" 1
118 1 74 THR MG 1 75 LEU H 2.568 . 3.392 2.548 2.374 2.853 . 0 0 "[ . 1 . 2]" 1
119 1 77 LEU H 1 77 LEU HB2 2.291 . 2.947 2.836 2.587 2.949 0.002 16 0 "[ . 1 . 2]" 1
120 1 76 LEU H 1 77 LEU H 3.076 . 4.259 3.872 3.761 3.938 . 0 0 "[ . 1 . 2]" 1
121 1 77 LEU HB2 1 84 VAL H 3.043 . 4.201 3.784 3.595 3.847 . 0 0 "[ . 1 . 2]" 1
122 1 84 VAL HA 1 85 ALA H 2.447 . 3.196 2.759 2.745 2.777 . 0 0 "[ . 1 . 2]" 1
123 1 63 VAL H 1 66 LYS H 3.002 . 4.128 3.865 3.718 3.983 . 0 0 "[ . 1 . 2]" 1
124 1 36 ILE HB 1 91 ASN H 3.343 . 4.740 4.072 3.794 4.452 . 0 0 "[ . 1 . 2]" 1
125 1 36 ILE MG 1 91 ASN H 2.522 . 3.317 3.157 2.886 3.421 0.104 19 0 "[ . 1 . 2]" 1
126 1 93 ALA HA 1 94 ALA H 2.375 . 3.080 2.743 2.726 2.751 . 0 0 "[ . 1 . 2]" 1
127 1 93 ALA MB 1 94 ALA H 2.009 . 2.513 2.106 2.061 2.158 . 0 0 "[ . 1 . 2]" 1
128 1 92 PRO HA 1 95 ILE H 2.898 . 3.948 3.155 3.139 3.178 . 0 0 "[ . 1 . 2]" 1
129 1 95 ILE H 1 96 LYS H 2.280 . 2.930 2.349 2.290 2.417 . 0 0 "[ . 1 . 2]" 1
130 1 100 ALA MB 1 101 ALA H 2.053 . 2.580 2.135 2.089 2.171 . 0 0 "[ . 1 . 2]" 1
131 1 96 LYS HG2 1 97 GLN H 2.915 . 3.977 3.964 3.844 4.046 0.069 4 0 "[ . 1 . 2]" 1
132 1 97 GLN H 1 98 ALA H 2.156 . 2.737 2.301 2.262 2.359 . 0 0 "[ . 1 . 2]" 1
133 1 42 LYS H 1 42 LYS QD 3.184 . 4.451 4.386 4.017 4.565 0.114 19 0 "[ . 1 . 2]" 1
134 1 11 PHE H 1 12 ASP H 2.369 . 3.070 2.371 2.299 2.450 . 0 0 "[ . 1 . 2]" 1
135 1 99 ILE H 1 100 ALA H 2.215 . 2.828 2.142 2.089 2.193 . 0 0 "[ . 1 . 2]" 1
136 1 77 LEU MD1 1 101 ALA H 3.694 . 5.400 3.999 3.881 4.083 . 0 0 "[ . 1 . 2]" 1
137 1 100 ALA H 1 103 ALA H 3.348 . 4.749 4.577 4.503 4.733 . 0 0 "[ . 1 . 2]" 1
138 1 23 VAL H 1 24 ALA HA 3.613 . 5.245 4.606 4.502 4.691 . 0 0 "[ . 1 . 2]" 1
139 1 49 GLN HE22 1 49 GLN QG 2.813 . 3.802 3.281 3.180 3.304 . 0 0 "[ . 1 . 2]" 1
140 1 32 PRO QB 1 33 CYS H 3.670 . 5.353 2.546 2.252 3.022 . 0 0 "[ . 1 . 2]" 1
141 1 3 THR MG 1 53 TYR QE 2.156 . 2.737 2.440 2.192 2.673 . 0 0 "[ . 1 . 2]" 1
142 1 5 PHE QE 1 14 ALA MB 2.201 . 2.807 2.010 1.891 2.113 . 0 0 "[ . 1 . 2]" 1
143 1 1 MET HA 1 1 MET HB2 2.481 . 3.250 2.645 2.412 3.029 . 0 0 "[ . 1 . 2]" 1
144 1 1 MET HB2 1 1 MET HG2 2.607 . 3.457 2.743 2.387 3.011 . 0 0 "[ . 1 . 2]" 1
145 1 13 SER HA 1 16 ALA MB 2.420 . 3.152 2.743 2.563 2.916 . 0 0 "[ . 1 . 2]" 1
146 1 2 VAL HA 1 3 THR H 2.110 . 2.667 2.160 2.093 2.246 . 0 0 "[ . 1 . 2]" 1
147 1 2 VAL HA 1 52 PHE QB 2.697 . 3.606 3.265 2.579 3.656 0.050 4 0 "[ . 1 . 2]" 1
148 1 2 VAL HA 1 2 VAL HB 2.988 . 4.104 2.305 2.212 3.020 . 0 0 "[ . 1 . 2]" 1
149 1 2 VAL QG 1 54 LYS H 2.720 . 3.645 2.250 2.109 2.396 . 0 0 "[ . 1 . 2]" 1
150 1 2 VAL QG 1 3 THR H 2.523 . 3.319 2.540 2.157 2.956 . 0 0 "[ . 1 . 2]" 1
151 1 2 VAL QG 1 53 TYR HA 2.459 . 3.215 2.028 1.808 2.387 . 0 0 "[ . 1 . 2]" 1
152 1 2 VAL QG 1 52 PHE QB 2.625 . 3.077 2.598 1.791 2.885 . 0 0 "[ . 1 . 2]" 1
153 1 3 THR H 1 3 THR HB 2.416 . 3.146 2.111 2.044 2.258 . 0 0 "[ . 1 . 2]" 1
154 1 3 THR HB 1 53 TYR QD 2.531 . 3.332 1.972 1.833 2.534 . 0 0 "[ . 1 . 2]" 1
155 1 3 THR HA 1 3 THR HB 2.689 . 3.593 2.925 2.904 2.974 . 0 0 "[ . 1 . 2]" 1
156 1 3 THR MG 1 4 GLN H 2.309 . 2.975 2.477 2.384 2.550 . 0 0 "[ . 1 . 2]" 1
157 1 3 THR H 1 3 THR MG 2.551 . 3.364 3.403 3.296 3.560 0.196 20 0 "[ . 1 . 2]" 1
158 1 3 THR HA 1 3 THR MG 2.239 . 2.865 2.839 2.664 2.884 0.019 16 0 "[ . 1 . 2]" 1
159 1 3 THR HB 1 3 THR MG 2.064 . 2.597 2.132 2.122 2.136 . 0 0 "[ . 1 . 2]" 1
160 1 3 THR MG 1 53 TYR HB3 2.024 . 2.536 2.700 2.638 2.772 0.236 4 0 "[ . 1 . 2]" 1
161 1 5 PHE H 1 5 PHE HA 2.772 . 3.732 2.888 2.844 2.930 . 0 0 "[ . 1 . 2]" 1
162 1 5 PHE HB2 1 5 PHE QD 2.868 . 3.896 2.307 2.279 2.343 . 0 0 "[ . 1 . 2]" 1
163 1 6 LYS HA 1 60 LEU MD1 2.867 . 3.894 3.779 3.313 3.977 0.083 14 0 "[ . 1 . 2]" 1
164 1 6 LYS HA 1 7 THR H 2.913 . 3.973 3.423 3.364 3.491 . 0 0 "[ . 1 . 2]" 1
165 1 6 LYS H 1 6 LYS HA 2.646 . 3.521 2.930 2.892 2.945 . 0 0 "[ . 1 . 2]" 1
166 1 6 LYS H 1 6 LYS HB2 2.761 . 3.714 3.710 3.563 3.761 0.047 13 0 "[ . 1 . 2]" 1
167 1 6 LYS HA 1 6 LYS HB2 2.728 . 3.658 2.492 2.407 2.625 . 0 0 "[ . 1 . 2]" 1
168 1 6 LYS H 1 6 LYS HB3 2.873 . 3.905 3.084 2.784 3.284 . 0 0 "[ . 1 . 2]" 1
169 1 6 LYS HA 1 6 LYS HB3 2.455 . 3.208 2.393 2.285 2.480 . 0 0 "[ . 1 . 2]" 1
170 1 6 LYS HD2 1 6 LYS HE3 2.091 . 2.638 2.581 2.395 3.016 0.378 14 0 "[ . 1 . 2]" 1
171 1 6 LYS HA 1 6 LYS HG2 2.710 . 3.628 3.667 3.567 3.725 0.097 19 0 "[ . 1 . 2]" 1
172 1 7 THR HA 1 7 THR MG 2.595 . 3.437 2.321 2.259 2.383 . 0 0 "[ . 1 . 2]" 1
173 1 7 THR HA 1 10 GLU H 2.903 . 3.956 4.250 4.207 4.318 0.362 15 0 "[ . 1 . 2]" 1
174 1 7 THR HB 1 8 ALA H 2.286 . 2.939 2.683 2.551 2.869 . 0 0 "[ . 1 . 2]" 1
175 1 7 THR HB 1 9 SER H 2.992 . 4.111 2.268 2.117 2.372 . 0 0 "[ . 1 . 2]" 1
176 1 7 THR HA 1 7 THR HB 1.956 . 2.434 2.479 2.447 2.515 0.081 15 0 "[ . 1 . 2]" 1
177 1 7 THR HB 1 7 THR MG 2.104 . 2.657 2.131 2.129 2.132 . 0 0 "[ . 1 . 2]" 1
178 1 8 ALA H 1 8 ALA HA 2.557 . 3.374 2.801 2.777 2.821 . 0 0 "[ . 1 . 2]" 1
179 1 8 ALA HA 1 11 PHE QD 2.531 . 3.332 3.419 3.375 3.496 0.164 20 0 "[ . 1 . 2]" 1
180 1 8 ALA HA 1 11 PHE HB3 2.453 . 3.205 2.558 2.402 2.782 . 0 0 "[ . 1 . 2]" 1
181 1 8 ALA HA 1 8 ALA MB 1.760 . 2.147 2.138 2.135 2.144 . 0 0 "[ . 1 . 2]" 1
182 1 8 ALA HA 1 63 VAL QG 2.148 . 2.725 2.462 1.925 2.634 . 0 0 "[ . 1 . 2]" 1
183 1 99 ILE MD 1 100 ALA HA 2.673 . 3.566 3.780 3.686 3.884 0.318 16 0 "[ . 1 . 2]" 1
184 1 8 ALA H 1 8 ALA MB 2.103 . 2.656 2.224 2.207 2.233 . 0 0 "[ . 1 . 2]" 1
185 1 9 SER HA 1 12 ASP QB 2.309 . 2.975 2.352 2.142 2.598 . 0 0 "[ . 1 . 2]" 1
186 1 8 ALA MB 1 9 SER HA 2.950 . 4.038 3.876 3.721 3.945 . 0 0 "[ . 1 . 2]" 1
187 1 9 SER HA 1 10 GLU H 2.662 . 3.548 3.563 3.549 3.596 0.048 15 0 "[ . 1 . 2]" 1
188 1 9 SER H 1 9 SER HA 2.857 . 3.877 2.797 2.751 2.823 . 0 0 "[ . 1 . 2]" 1
189 1 9 SER H 1 9 SER HB3 2.897 . 3.946 3.119 2.396 3.574 . 0 0 "[ . 1 . 2]" 1
190 1 9 SER HB3 1 10 GLU H 2.884 . 3.924 3.395 2.557 4.166 0.242 13 0 "[ . 1 . 2]" 1
191 1 39 MET H 1 39 MET HB3 2.980 . 4.090 3.632 3.611 3.645 . 0 0 "[ . 1 . 2]" 1
192 1 57 VAL H 1 57 VAL HB 3.018 . 4.156 2.320 2.027 3.635 . 0 0 "[ . 1 . 2]" 1
193 1 48 PRO HA 1 48 PRO HB2 2.415 . 3.144 2.876 2.682 2.986 . 0 0 "[ . 1 . 2]" 1
194 1 11 PHE HA 1 11 PHE HB2 2.203 . 2.810 2.286 2.252 2.313 . 0 0 "[ . 1 . 2]" 1
195 1 47 TYR HB3 1 47 TYR QD 2.730 . 3.661 2.617 2.280 2.773 . 0 0 "[ . 1 . 2]" 1
196 1 47 TYR H 1 47 TYR HB3 2.992 . 4.111 3.392 2.745 3.828 . 0 0 "[ . 1 . 2]" 1
197 1 11 PHE HB2 1 12 ASP H 2.911 . 3.970 4.005 3.970 4.044 0.074 11 0 "[ . 1 . 2]" 1
198 1 11 PHE HB2 1 11 PHE QD 2.371 . 3.073 2.394 2.370 2.444 . 0 0 "[ . 1 . 2]" 1
199 1 83 GLU H 1 83 GLU HA 2.463 . 3.221 2.296 2.222 2.687 . 0 0 "[ . 1 . 2]" 1
200 1 68 GLU H 1 68 GLU HA 1.894 . 2.342 2.263 2.251 2.278 . 0 0 "[ . 1 . 2]" 1
201 1 11 PHE QD 1 12 ASP HA 2.497 . 3.276 3.257 3.086 3.323 0.047 19 0 "[ . 1 . 2]" 1
202 1 78 PHE HA 1 83 GLU HA 2.258 . 2.895 1.739 1.665 1.862 . 0 0 "[ . 1 . 2]" 1
203 1 12 ASP HA 1 15 ILE MD 2.619 . 3.476 2.330 2.093 2.543 . 0 0 "[ . 1 . 2]" 1
204 1 12 ASP H 1 12 ASP QB 2.548 . 2.996 2.237 2.089 2.272 . 0 0 "[ . 1 . 2]" 1
205 1 13 SER H 1 13 SER HA 2.273 . 2.919 2.836 2.819 2.857 . 0 0 "[ . 1 . 2]" 1
206 1 93 ALA HA 1 93 ALA MB 1.852 . 2.281 2.126 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
207 1 14 ALA H 1 14 ALA MB 2.059 . 2.589 2.247 2.236 2.275 . 0 0 "[ . 1 . 2]" 1
208 1 5 PHE QE 1 14 ALA MB 2.128 . 2.694 2.568 2.434 2.699 0.005 2 0 "[ . 1 . 2]" 1
209 1 14 ALA HA 1 14 ALA MB 2.030 . 2.545 2.128 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
210 1 11 PHE HA 1 14 ALA MB 2.505 . 3.289 2.757 2.610 2.908 . 0 0 "[ . 1 . 2]" 1
211 1 14 ALA MB 1 21 VAL HB 2.658 . 3.541 3.670 3.564 3.741 0.200 18 0 "[ . 1 . 2]" 1
212 1 14 ALA MB 1 15 ILE MG 2.689 . 3.593 2.882 2.793 3.078 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE HA 1 15 ILE MG 2.150 . 2.728 2.335 2.307 2.422 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE HA 1 15 ILE MD 2.990 . 4.107 4.153 4.142 4.161 0.054 6 0 "[ . 1 . 2]" 1
215 1 15 ILE HA 1 15 ILE HB 2.000 . 2.500 2.442 2.432 2.457 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE HA 1 78 PHE HB2 2.867 . 3.894 2.789 2.601 2.984 . 0 0 "[ . 1 . 2]" 1
217 1 15 ILE H 1 15 ILE HA 2.444 . 3.190 2.824 2.806 2.838 . 0 0 "[ . 1 . 2]" 1
218 1 15 ILE HB 1 15 ILE MG 2.314 . 2.983 2.129 2.113 2.132 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE HB 1 78 PHE QD 3.086 . 4.276 3.026 2.494 3.302 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE H 1 15 ILE HB 2.963 . 4.060 3.613 3.592 3.629 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MD 1 16 ALA MB 2.971 . 4.074 4.102 4.069 4.148 0.074 16 0 "[ . 1 . 2]" 1
222 1 15 ILE HB 1 15 ILE MD 2.174 . 2.765 2.329 2.310 2.345 . 0 0 "[ . 1 . 2]" 1
223 1 15 ILE MD 1 15 ILE MG 2.075 . 2.613 2.080 1.912 2.134 . 0 0 "[ . 1 . 2]" 1
224 1 12 ASP HA 1 15 ILE HG13 2.827 . 3.826 3.048 2.857 3.231 . 0 0 "[ . 1 . 2]" 1
225 1 15 ILE HB 1 15 ILE HG13 2.766 . 3.722 2.559 2.527 2.577 . 0 0 "[ . 1 . 2]" 1
226 1 15 ILE MD 1 15 ILE HG13 2.486 . 3.259 2.119 2.117 2.122 . 0 0 "[ . 1 . 2]" 1
227 1 15 ILE HG13 1 15 ILE MG 2.685 . 3.586 3.181 3.173 3.190 . 0 0 "[ . 1 . 2]" 1
228 1 15 ILE MG 1 78 PHE HB2 2.534 . 3.336 2.057 1.988 2.238 . 0 0 "[ . 1 . 2]" 1
229 1 15 ILE MG 1 21 VAL HB 2.868 . 3.896 2.775 2.255 3.688 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE HG12 1 15 ILE MG 2.176 . 2.768 2.274 2.257 2.329 . 0 0 "[ . 1 . 2]" 1
231 1 16 ALA HA 1 81 GLY HA3 2.497 . 3.276 2.821 2.364 3.296 0.020 9 0 "[ . 1 . 2]" 1
232 1 16 ALA HA 1 80 ASN HA 2.491 . 3.266 3.300 3.113 3.383 0.117 5 0 "[ . 1 . 2]" 1
233 1 16 ALA H 1 16 ALA HA 2.380 . 3.088 2.886 2.853 2.907 . 0 0 "[ . 1 . 2]" 1
234 1 16 ALA HA 1 17 GLN H 2.478 . 3.246 3.319 3.273 3.361 0.115 16 0 "[ . 1 . 2]" 1
235 1 16 ALA MB 1 17 GLN H 2.472 . 3.236 3.150 3.013 3.258 0.022 10 0 "[ . 1 . 2]" 1
236 1 16 ALA H 1 16 ALA MB 1.931 . 2.397 2.271 2.250 2.286 . 0 0 "[ . 1 . 2]" 1
237 1 16 ALA HA 1 16 ALA MB 1.849 . 2.276 2.126 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
238 1 16 ALA MB 1 17 GLN HA 2.816 . 3.807 3.923 3.904 3.954 0.147 15 0 "[ . 1 . 2]" 1
239 1 17 GLN HA 1 17 GLN HG2 2.144 . 2.718 2.545 2.448 2.632 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLN HA 1 17 GLN HG3 2.506 . 3.291 2.991 2.901 3.108 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLN H 1 17 GLN HA 2.439 . 3.183 2.861 2.836 2.902 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLN HA 1 18 ASP H 2.211 . 2.822 2.325 2.249 2.416 . 0 0 "[ . 1 . 2]" 1
243 1 17 GLN HB3 1 17 GLN HG2 2.332 . 3.012 2.420 2.370 2.473 . 0 0 "[ . 1 . 2]" 1
244 1 14 ALA HA 1 17 GLN HG3 3.030 . 4.178 2.739 2.223 3.238 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLN HB2 1 17 GLN HG3 2.833 . 3.836 2.460 2.409 2.519 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLN H 1 17 GLN HG2 2.850 . 3.866 3.649 3.471 3.777 . 0 0 "[ . 1 . 2]" 1
247 1 62 ASP HA 1 62 ASP HB3 2.325 . 3.001 2.669 2.395 3.023 0.022 5 0 "[ . 1 . 2]" 1
248 1 19 LYS HA 1 20 LEU H 1.937 . 2.406 2.453 2.307 2.528 0.122 19 0 "[ . 1 . 2]" 1
249 1 19 LYS H 1 19 LYS HA 2.306 . 2.971 2.926 2.894 2.947 . 0 0 "[ . 1 . 2]" 1
250 1 19 LYS HA 1 19 LYS QB 1.879 . 2.320 2.176 2.120 2.404 0.084 15 0 "[ . 1 . 2]" 1
251 1 19 LYS HA 1 19 LYS QE 2.690 . 3.594 3.678 3.115 3.855 0.261 13 0 "[ . 1 . 2]" 1
252 1 19 LYS H 1 19 LYS QB 2.899 . 3.950 2.791 2.289 3.039 . 0 0 "[ . 1 . 2]" 1
253 1 19 LYS QB 1 19 LYS QE 2.674 . 3.567 1.808 1.647 3.226 0.134 19 0 "[ . 1 . 2]" 1
254 1 25 PHE H 1 25 PHE HA 2.810 . 3.797 2.864 2.837 2.933 . 0 0 "[ . 1 . 2]" 1
255 1 25 PHE HA 1 25 PHE HB2 2.850 . 3.865 3.016 3.001 3.022 . 0 0 "[ . 1 . 2]" 1
256 1 25 PHE HA 1 57 VAL QG 2.731 . 3.663 3.610 3.339 3.736 0.073 6 0 "[ . 1 . 2]" 1
257 1 20 LEU H 1 20 LEU QB 2.761 . 3.714 2.233 2.099 2.358 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU QB 1 20 LEU HG 2.152 . 2.731 2.177 2.152 2.485 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU QB 1 20 LEU QD 3.055 . 3.740 2.053 1.866 2.077 0.022 9 0 "[ . 1 . 2]" 1
260 1 8 ALA H 1 60 LEU MD1 2.545 . 3.354 2.902 2.627 4.133 0.779 6 1 "[ .+ 1 . 2]" 1
261 1 20 LEU QD 1 102 ASN HB2 2.626 . 3.488 2.697 2.491 3.372 . 0 0 "[ . 1 . 2]" 1
262 1 20 LEU QD 1 22 VAL QG 2.031 . 2.547 1.901 1.850 1.963 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU HG 1 22 VAL QG 2.902 . 3.955 3.977 3.910 4.063 0.108 6 0 "[ . 1 . 2]" 1
264 1 88 VAL HA 1 89 GLY H 2.091 . 2.637 2.313 2.203 2.376 . 0 0 "[ . 1 . 2]" 1
265 1 74 THR HA 1 88 VAL HA 2.283 . 2.935 2.528 2.279 2.770 . 0 0 "[ . 1 . 2]" 1
266 1 21 VAL HA 1 21 VAL HB 2.649 . 3.526 3.010 2.628 3.037 . 0 0 "[ . 1 . 2]" 1
267 1 88 VAL HA 1 88 VAL QG 2.157 . 2.739 2.223 2.040 2.426 . 0 0 "[ . 1 . 2]" 1
268 1 21 VAL QG 1 23 VAL H 2.451 . 3.202 3.303 2.930 3.385 0.183 11 0 "[ . 1 . 2]" 1
269 1 21 VAL QG 1 22 VAL H 2.839 . 3.846 3.005 2.692 3.062 . 0 0 "[ . 1 . 2]" 1
270 1 15 ILE H 1 21 VAL QG 2.537 . 3.342 3.156 3.083 3.227 . 0 0 "[ . 1 . 2]" 1
271 1 5 PHE QE 1 21 VAL QG 2.273 . 2.919 3.018 2.933 3.120 0.201 17 0 "[ . 1 . 2]" 1
272 1 15 ILE MG 1 21 VAL QG 2.680 . 3.578 2.317 1.715 2.592 0.067 20 0 "[ . 1 . 2]" 1
273 1 84 VAL HA 1 84 VAL QG 2.015 . 2.522 2.165 2.130 2.199 . 0 0 "[ . 1 . 2]" 1
274 1 22 VAL HA 1 22 VAL QG 2.417 . 2.984 2.515 2.135 2.565 . 0 0 "[ . 1 . 2]" 1
275 1 22 VAL HA 1 77 LEU HB3 2.469 . 3.231 2.867 2.367 3.318 0.087 11 0 "[ . 1 . 2]" 1
276 1 23 VAL HA 1 53 TYR HB2 1.978 . 2.467 2.571 2.488 2.678 0.211 14 0 "[ . 1 . 2]" 1
277 1 84 VAL HA 1 85 ALA H 2.594 . 3.435 3.494 3.477 3.509 0.074 9 0 "[ . 1 . 2]" 1
278 1 22 VAL HA 1 23 VAL H 2.150 . 2.728 2.085 2.039 2.227 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL H 1 22 VAL HB 2.552 . 3.366 3.301 2.624 3.472 0.106 20 0 "[ . 1 . 2]" 1
280 1 22 VAL QG 1 53 TYR H 2.983 . 4.095 3.044 2.725 3.339 . 0 0 "[ . 1 . 2]" 1
281 1 22 VAL H 1 22 VAL QG 2.363 . 3.061 1.914 1.798 2.177 . 0 0 "[ . 1 . 2]" 1
282 1 22 VAL QG 1 52 PHE HA 2.820 . 3.814 2.257 2.012 3.023 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL MG1 1 22 VAL MG2 2.272 . 2.918 2.082 2.071 2.096 . 0 0 "[ . 1 . 2]" 1
284 1 22 VAL HB 1 22 VAL QG 2.169 . 2.313 1.884 1.874 1.892 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL MG1 1 55 LEU HG 1.916 . 2.375 1.825 1.695 2.349 . 0 0 "[ . 1 . 2]" 1
286 1 15 ILE MG 1 23 VAL MG2 2.695 . 3.603 2.719 2.344 2.981 . 0 0 "[ . 1 . 2]" 1
287 1 11 PHE HA 1 23 VAL MG2 2.547 . 3.358 3.264 3.025 3.486 0.128 15 0 "[ . 1 . 2]" 1
288 1 11 PHE QD 1 23 VAL MG2 2.155 . 2.736 1.841 1.787 1.880 . 0 0 "[ . 1 . 2]" 1
289 1 23 VAL MG2 1 53 TYR QD 3.081 . 4.267 2.223 1.910 2.585 . 0 0 "[ . 1 . 2]" 1
290 1 24 ALA HA 1 25 PHE H 2.087 . 2.632 2.066 2.006 2.144 . 0 0 "[ . 1 . 2]" 1
291 1 24 ALA H 1 24 ALA HA 2.805 . 3.788 2.943 2.935 2.955 . 0 0 "[ . 1 . 2]" 1
292 1 24 ALA HA 1 55 LEU H 2.906 . 3.961 4.400 4.272 4.784 0.823 19 2 "[ .- 1 . +2]" 1
293 1 24 ALA HA 1 74 THR H 2.741 . 3.680 3.815 3.724 4.019 0.339 13 0 "[ . 1 . 2]" 1
294 1 24 ALA HA 1 75 LEU QD 2.450 . 3.200 2.731 2.450 3.222 0.022 4 0 "[ . 1 . 2]" 1
295 1 24 ALA HA 1 25 PHE HB2 3.085 . 4.275 4.388 4.348 4.413 0.138 2 0 "[ . 1 . 2]" 1
296 1 24 ALA MB 1 25 PHE H 2.635 . 3.503 3.110 2.815 3.364 . 0 0 "[ . 1 . 2]" 1
297 1 24 ALA H 1 24 ALA MB 2.179 . 2.773 2.511 2.372 2.600 . 0 0 "[ . 1 . 2]" 1
298 1 24 ALA MB 1 54 LYS HA 2.415 . 3.144 2.651 1.833 3.020 . 0 0 "[ . 1 . 2]" 1
299 1 24 ALA HA 1 24 ALA MB 2.135 . 2.705 2.105 2.093 2.127 . 0 0 "[ . 1 . 2]" 1
300 1 24 ALA MB 1 54 LYS QD 2.268 . 2.911 2.363 1.690 2.951 0.040 4 0 "[ . 1 . 2]" 1
301 1 24 ALA MB 1 75 LEU QD 2.087 . 2.632 1.680 1.602 1.868 . 0 0 "[ . 1 . 2]" 1
302 1 25 PHE HA 1 25 PHE HB3 2.603 . 3.450 2.506 2.468 2.557 . 0 0 "[ . 1 . 2]" 1
303 1 25 PHE HA 1 26 TYR H 2.166 . 2.753 2.143 2.076 2.264 . 0 0 "[ . 1 . 2]" 1
304 1 25 PHE HB2 1 69 VAL MG1 3.153 . 4.396 2.612 2.158 3.011 . 0 0 "[ . 1 . 2]" 1
305 1 25 PHE H 1 25 PHE HB3 2.878 . 3.914 3.569 3.546 3.637 . 0 0 "[ . 1 . 2]" 1
306 1 25 PHE HB3 1 69 VAL MG1 2.877 . 3.911 2.897 2.239 3.468 . 0 0 "[ . 1 . 2]" 1
307 1 77 LEU HA 1 78 PHE H 2.121 . 2.684 2.097 2.059 2.148 . 0 0 "[ . 1 . 2]" 1
308 1 77 LEU H 1 77 LEU HA 2.768 . 3.726 2.914 2.892 2.928 . 0 0 "[ . 1 . 2]" 1
309 1 22 VAL HA 1 77 LEU HA 2.392 . 3.107 1.907 1.770 2.556 . 0 0 "[ . 1 . 2]" 1
310 1 77 LEU HA 1 77 LEU MD2 2.534 . 3.336 2.798 2.403 2.961 . 0 0 "[ . 1 . 2]" 1
311 1 27 ALA HA 1 28 THR H 2.381 . 3.089 2.338 2.146 2.516 . 0 0 "[ . 1 . 2]" 1
312 1 27 ALA HA 1 57 VAL H 2.848 . 3.862 3.359 2.968 3.697 . 0 0 "[ . 1 . 2]" 1
313 1 27 ALA H 1 27 ALA HA 2.610 . 3.461 2.871 2.828 2.945 . 0 0 "[ . 1 . 2]" 1
314 1 27 ALA HA 1 27 ALA MB 2.162 . 2.746 2.137 2.128 2.143 . 0 0 "[ . 1 . 2]" 1
315 1 27 ALA HA 1 57 VAL QG 2.847 . 3.860 3.350 2.488 3.849 . 0 0 "[ . 1 . 2]" 1
316 1 27 ALA MB 1 29 TRP HE1 2.908 . 3.965 2.987 2.543 3.369 . 0 0 "[ . 1 . 2]" 1
317 1 27 ALA MB 1 28 THR H 3.042 . 4.199 2.594 2.267 3.027 . 0 0 "[ . 1 . 2]" 1
318 1 27 ALA MB 1 57 VAL H 2.984 . 4.097 3.556 2.801 3.883 . 0 0 "[ . 1 . 2]" 1
319 1 27 ALA MB 1 29 TRP HD1 2.871 . 3.901 3.562 3.181 3.939 0.038 18 0 "[ . 1 . 2]" 1
320 1 27 ALA H 1 27 ALA MB 2.785 . 3.755 2.730 2.431 2.842 . 0 0 "[ . 1 . 2]" 1
321 1 27 ALA MB 1 29 TRP H 2.914 . 3.975 2.470 2.302 2.801 . 0 0 "[ . 1 . 2]" 1
322 1 28 THR HB 1 28 THR MG 2.026 . 2.539 2.135 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
323 1 28 THR H 1 28 THR HB 2.805 . 3.788 3.400 2.796 3.619 . 0 0 "[ . 1 . 2]" 1
324 1 28 THR H 1 28 THR HA 2.700 . 3.611 2.862 2.776 2.893 . 0 0 "[ . 1 . 2]" 1
325 1 28 THR HA 1 29 TRP H 2.818 . 3.810 3.315 3.269 3.451 . 0 0 "[ . 1 . 2]" 1
326 1 28 THR HA 1 28 THR HB 2.106 . 2.661 2.673 2.511 2.964 0.303 7 0 "[ . 1 . 2]" 1
327 1 28 THR HA 1 28 THR MG 2.125 . 2.690 2.220 2.155 2.290 . 0 0 "[ . 1 . 2]" 1
328 1 93 ALA MB 1 94 ALA H 2.276 . 2.924 2.545 2.368 2.739 . 0 0 "[ . 1 . 2]" 1
329 1 29 TRP HA 1 29 TRP HB2 2.244 . 2.874 2.540 2.459 2.642 . 0 0 "[ . 1 . 2]" 1
330 1 29 TRP HA 1 29 TRP HB3 2.364 . 3.062 2.361 2.283 2.428 . 0 0 "[ . 1 . 2]" 1
331 1 29 TRP H 1 29 TRP HA 2.736 . 3.672 2.922 2.852 2.941 . 0 0 "[ . 1 . 2]" 1
332 1 29 TRP HA 1 29 TRP HD1 2.974 . 4.080 4.211 3.952 4.365 0.285 11 0 "[ . 1 . 2]" 1
333 1 29 TRP H 1 29 TRP HB3 2.803 . 3.785 3.115 2.731 3.479 . 0 0 "[ . 1 . 2]" 1
334 1 29 TRP HB3 1 29 TRP HD1 2.995 . 4.117 3.486 2.583 3.896 . 0 0 "[ . 1 . 2]" 1
335 1 29 TRP HB2 1 29 TRP HD1 2.930 . 4.003 3.123 2.686 3.811 . 0 0 "[ . 1 . 2]" 1
336 1 33 CYS HA 1 37 ALA MB 2.798 . 3.776 4.003 3.823 4.088 0.312 17 0 "[ . 1 . 2]" 1
337 1 65 GLN HA 1 69 VAL H 2.431 . 3.170 3.162 2.838 3.294 0.124 10 0 "[ . 1 . 2]" 1
338 1 46 GLN HA 1 46 GLN HB3 1.923 . 2.385 2.323 2.222 2.429 0.044 20 0 "[ . 1 . 2]" 1
339 1 34 LYS HA 1 34 LYS HB2 2.639 . 3.510 2.659 2.427 3.026 . 0 0 "[ . 1 . 2]" 1
340 1 35 MET H 1 35 MET HA 2.433 . 3.173 2.825 2.788 2.885 . 0 0 "[ . 1 . 2]" 1
341 1 35 MET HA 1 35 MET HB2 2.048 . 2.573 2.453 2.427 2.484 . 0 0 "[ . 1 . 2]" 1
342 1 35 MET HG3 1 36 ILE H 2.858 . 3.879 2.144 2.038 2.292 . 0 0 "[ . 1 . 2]" 1
343 1 35 MET HA 1 35 MET HG3 2.744 . 3.685 3.767 3.727 3.798 0.113 16 0 "[ . 1 . 2]" 1
344 1 35 MET HG3 1 36 ILE HA 3.188 . 4.458 3.579 3.435 3.686 . 0 0 "[ . 1 . 2]" 1
345 1 35 MET HB2 1 35 MET HG3 1.937 . 2.406 2.403 2.361 2.441 0.035 2 0 "[ . 1 . 2]" 1
346 1 35 MET HG2 1 36 ILE H 2.865 . 3.891 2.609 2.510 2.701 . 0 0 "[ . 1 . 2]" 1
347 1 33 CYS H 1 35 MET HG2 3.290 . 4.643 4.627 4.461 4.726 0.083 2 0 "[ . 1 . 2]" 1
348 1 35 MET HA 1 35 MET HG2 2.792 . 3.767 3.719 3.665 3.785 0.018 2 0 "[ . 1 . 2]" 1
349 1 10 GLU HA 1 10 GLU HG2 3.053 . 4.218 2.967 2.715 3.874 . 0 0 "[ . 1 . 2]" 1
350 1 36 ILE HA 1 36 ILE HG12 2.666 . 3.555 3.027 2.742 3.278 . 0 0 "[ . 1 . 2]" 1
351 1 36 ILE HA 1 92 PRO HG3 2.215 . 2.829 2.903 2.852 2.956 0.127 11 0 "[ . 1 . 2]" 1
352 1 36 ILE HA 1 39 MET HG2 2.857 . 3.878 2.880 2.444 4.098 0.220 11 0 "[ . 1 . 2]" 1
353 1 36 ILE HA 1 39 MET H 2.948 . 4.034 2.964 2.739 3.111 . 0 0 "[ . 1 . 2]" 1
354 1 36 ILE H 1 36 ILE HA 2.520 . 3.314 2.862 2.855 2.869 . 0 0 "[ . 1 . 2]" 1
355 1 36 ILE HA 1 36 ILE HB 2.415 . 3.144 2.217 2.194 2.262 . 0 0 "[ . 1 . 2]" 1
356 1 36 ILE HB 1 39 MET HB2 2.818 . 3.811 3.259 2.677 3.608 . 0 0 "[ . 1 . 2]" 1
357 1 36 ILE MD 1 40 ILE HB 2.534 . 3.336 3.081 2.169 3.522 0.186 16 0 "[ . 1 . 2]" 1
358 1 36 ILE MD 1 54 LYS QD 2.070 . 2.606 2.679 2.364 3.645 1.039 16 1 "[ . 1 .+ 2]" 1
359 1 36 ILE MD 1 37 ALA MB 2.323 . 2.998 3.133 2.926 3.270 0.272 10 0 "[ . 1 . 2]" 1
360 1 36 ILE MD 1 36 ILE HG12 2.212 . 2.824 2.108 2.099 2.115 . 0 0 "[ . 1 . 2]" 1
361 1 36 ILE HG13 1 40 ILE H 2.876 . 3.910 4.036 3.936 4.141 0.231 18 0 "[ . 1 . 2]" 1
362 1 36 ILE HG13 1 40 ILE HB 2.638 . 3.508 3.606 3.487 3.783 0.275 19 0 "[ . 1 . 2]" 1
363 1 36 ILE MD 1 37 ALA HA 2.540 . 3.346 2.723 2.166 2.971 . 0 0 "[ . 1 . 2]" 1
364 1 37 ALA HA 1 40 ILE H 2.912 . 3.972 3.886 3.584 4.058 0.086 13 0 "[ . 1 . 2]" 1
365 1 37 ALA H 1 37 ALA MB 2.062 . 2.593 2.228 2.199 2.274 . 0 0 "[ . 1 . 2]" 1
366 1 26 TYR QD 1 37 ALA MB 3.163 . 4.414 4.088 3.493 4.589 0.175 19 0 "[ . 1 . 2]" 1
367 1 37 ALA HA 1 37 ALA MB 2.002 . 2.503 2.113 2.108 2.122 . 0 0 "[ . 1 . 2]" 1
368 1 90 ALA HA 1 90 ALA MB 2.042 . 2.563 2.130 2.124 2.136 . 0 0 "[ . 1 . 2]" 1
369 1 90 ALA HA 1 91 ASN H 2.167 . 2.754 2.250 2.188 2.379 . 0 0 "[ . 1 . 2]" 1
370 1 39 MET H 1 39 MET HA 2.419 . 3.151 2.837 2.822 2.852 . 0 0 "[ . 1 . 2]" 1
371 1 39 MET HA 1 39 MET HB3 2.267 . 2.909 2.495 2.433 2.533 . 0 0 "[ . 1 . 2]" 1
372 1 61 GLY QA 1 65 GLN QG 2.958 . 4.052 3.611 3.487 3.683 . 0 0 "[ . 1 . 2]" 1
373 1 40 ILE HA 1 40 ILE HB 2.791 . 3.765 2.961 2.793 3.033 . 0 0 "[ . 1 . 2]" 1
374 1 40 ILE HA 1 43 PHE QB 2.668 . 3.558 2.202 1.926 2.502 . 0 0 "[ . 1 . 2]" 1
375 1 40 ILE HA 1 43 PHE QD 2.568 . 3.392 3.259 2.498 3.560 0.168 1 0 "[ . 1 . 2]" 1
376 1 40 ILE HA 1 43 PHE H 2.772 . 3.733 3.018 2.582 3.448 . 0 0 "[ . 1 . 2]" 1
377 1 17 GLN HG2 1 18 ASP H 2.938 . 4.017 4.005 3.859 4.091 0.074 11 0 "[ . 1 . 2]" 1
378 1 40 ILE HB 1 41 GLU H 2.449 . 3.198 3.200 2.820 3.426 0.228 7 0 "[ . 1 . 2]" 1
379 1 2 VAL QG 1 40 ILE HB 2.916 . 3.979 3.941 3.646 4.058 0.079 5 0 "[ . 1 . 2]" 1
380 1 40 ILE MD 1 54 LYS QD 2.454 . 3.207 3.079 2.645 3.343 0.136 16 0 "[ . 1 . 2]" 1
381 1 40 ILE MD 1 92 PRO HA 2.318 . 2.990 3.139 2.997 3.267 0.277 18 0 "[ . 1 . 2]" 1
382 1 40 ILE H 1 40 ILE MD 2.567 . 3.391 3.357 2.685 3.681 0.290 13 0 "[ . 1 . 2]" 1
383 1 2 VAL QG 1 40 ILE MG 2.158 . 2.740 2.138 1.709 2.653 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE MG 1 54 LYS QD 2.320 . 2.993 2.298 1.703 2.947 . 0 0 "[ . 1 . 2]" 1
385 1 40 ILE HB 1 40 ILE MG 2.070 . 2.606 2.119 2.106 2.128 . 0 0 "[ . 1 . 2]" 1
386 1 40 ILE HA 1 40 ILE MG 2.262 . 2.902 2.711 2.477 3.023 0.121 7 0 "[ . 1 . 2]" 1
387 1 40 ILE MG 1 41 GLU H 2.569 . 3.394 3.102 2.289 3.539 0.145 10 0 "[ . 1 . 2]" 1
388 1 40 ILE H 1 40 ILE MG 2.747 . 3.690 3.584 3.208 3.751 0.061 13 0 "[ . 1 . 2]" 1
389 1 2 VAL QG 1 41 GLU HA 2.137 . 2.708 2.466 2.041 2.770 0.062 19 0 "[ . 1 . 2]" 1
390 1 41 GLU H 1 41 GLU HA 2.354 . 3.047 2.797 2.756 2.836 . 0 0 "[ . 1 . 2]" 1
391 1 41 GLU HA 1 44 SER H 2.843 . 3.853 3.386 3.037 3.723 . 0 0 "[ . 1 . 2]" 1
392 1 42 LYS H 1 42 LYS HA 2.230 . 2.852 2.816 2.804 2.834 . 0 0 "[ . 1 . 2]" 1
393 1 42 LYS HA 1 44 SER H 2.737 . 3.673 3.862 3.766 3.941 0.268 4 0 "[ . 1 . 2]" 1
394 1 42 LYS HA 1 42 LYS HB2 1.997 . 2.496 2.412 2.341 2.503 0.007 15 0 "[ . 1 . 2]" 1
395 1 67 ASN HB3 1 76 LEU QD 2.563 . 3.384 2.468 2.120 3.197 . 0 0 "[ . 1 . 2]" 1
396 1 67 ASN HA 1 67 ASN HB3 2.376 . 3.082 2.520 2.485 2.563 . 0 0 "[ . 1 . 2]" 1
397 1 67 ASN HB3 1 67 ASN HD21 2.787 . 3.758 3.491 3.459 3.505 . 0 0 "[ . 1 . 2]" 1
398 1 43 PHE QB 1 43 PHE QD 2.965 . 3.534 2.277 2.124 2.350 . 0 0 "[ . 1 . 2]" 1
399 1 44 SER HA 1 47 TYR H 2.602 . 3.448 3.266 2.992 3.505 0.057 16 0 "[ . 1 . 2]" 1
400 1 44 SER HA 1 44 SER QB 2.363 . 3.061 2.203 2.173 2.323 . 0 0 "[ . 1 . 2]" 1
401 1 45 GLU H 1 45 GLU HA 2.385 . 3.096 2.903 2.887 2.922 . 0 0 "[ . 1 . 2]" 1
402 1 37 ALA H 1 37 ALA HA 2.321 . 2.995 2.778 2.757 2.790 . 0 0 "[ . 1 . 2]" 1
403 1 42 LYS HA 1 45 GLU QB 2.599 . 3.443 2.938 2.504 3.222 . 0 0 "[ . 1 . 2]" 1
404 1 12 ASP H 1 12 ASP HA 2.326 . 3.002 2.785 2.763 2.810 . 0 0 "[ . 1 . 2]" 1
405 1 43 PHE HA 1 46 GLN HB2 2.879 . 3.915 3.472 2.112 4.405 0.490 11 0 "[ . 1 . 2]" 1
406 1 46 GLN HA 1 46 GLN QG 2.741 . 3.626 3.135 2.489 3.342 . 0 0 "[ . 1 . 2]" 1
407 1 43 PHE QD 1 46 GLN QG 2.760 . 3.712 3.052 2.504 3.554 . 0 0 "[ . 1 . 2]" 1
408 1 43 PHE H 1 46 GLN QG 2.851 . 3.867 3.869 3.743 3.935 0.068 11 0 "[ . 1 . 2]" 1
409 1 68 GLU H 1 68 GLU HG2 2.834 . 3.838 3.375 2.546 3.669 . 0 0 "[ . 1 . 2]" 1
410 1 43 PHE QB 1 46 GLN QG 2.785 . 3.755 3.463 3.080 3.665 . 0 0 "[ . 1 . 2]" 1
411 1 47 TYR HA 1 49 GLN H 2.920 . 3.985 3.744 2.955 4.163 0.178 19 0 "[ . 1 . 2]" 1
412 1 47 TYR H 1 47 TYR HA 2.600 . 3.445 2.942 2.897 2.961 . 0 0 "[ . 1 . 2]" 1
413 1 47 TYR HA 1 47 TYR QD 2.501 . 3.283 2.999 2.141 3.642 0.359 7 0 "[ . 1 . 2]" 1
414 1 47 TYR HA 1 50 ALA MB 2.917 . 3.981 3.760 3.370 4.105 0.124 4 0 "[ . 1 . 2]" 1
415 1 49 GLN H 1 49 GLN HA 2.266 . 2.908 2.927 2.902 2.949 0.041 17 0 "[ . 1 . 2]" 1
416 1 49 GLN HA 1 50 ALA H 2.512 . 3.301 3.262 3.009 3.413 0.112 5 0 "[ . 1 . 2]" 1
417 1 49 GLN HA 1 49 GLN HB2 1.905 . 2.359 2.429 2.295 2.606 0.247 6 0 "[ . 1 . 2]" 1
418 1 50 ALA HA 1 51 ASP H 2.073 . 2.610 2.305 2.189 2.473 . 0 0 "[ . 1 . 2]" 1
419 1 50 ALA H 1 50 ALA HA 2.572 . 3.399 2.928 2.917 2.939 . 0 0 "[ . 1 . 2]" 1
420 1 20 LEU QB 1 50 ALA HA 2.643 . 3.516 2.358 1.827 3.096 . 0 0 "[ . 1 . 2]" 1
421 1 50 ALA HA 1 50 ALA MB 2.016 . 2.524 2.125 2.115 2.136 . 0 0 "[ . 1 . 2]" 1
422 1 50 ALA H 1 50 ALA MB 2.213 . 2.825 2.409 2.291 2.620 . 0 0 "[ . 1 . 2]" 1
423 1 85 ALA MB 1 97 GLN QE 2.284 . 2.936 3.007 2.928 3.129 0.193 16 0 "[ . 1 . 2]" 1
424 1 84 VAL QG 1 85 ALA MB 2.258 . 2.895 2.347 2.184 2.539 . 0 0 "[ . 1 . 2]" 1
425 1 22 VAL QG 1 50 ALA MB 2.526 . 3.324 2.763 2.248 3.358 0.034 11 0 "[ . 1 . 2]" 1
426 1 50 ALA MB 1 99 ILE MD 2.788 . 3.759 2.718 1.937 3.601 . 0 0 "[ . 1 . 2]" 1
427 1 51 ASP HA 1 51 ASP HB3 2.303 . 2.966 2.740 2.610 2.970 0.004 19 0 "[ . 1 . 2]" 1
428 1 47 TYR QD 1 51 ASP HA 2.810 . 3.797 3.769 2.937 4.103 0.306 13 0 "[ . 1 . 2]" 1
429 1 51 ASP H 1 51 ASP HA 2.522 . 3.317 2.929 2.901 2.944 . 0 0 "[ . 1 . 2]" 1
430 1 51 ASP HA 1 52 PHE H 1.989 . 2.484 2.097 2.008 2.164 . 0 0 "[ . 1 . 2]" 1
431 1 51 ASP HB2 1 53 TYR QE 2.757 . 3.707 3.284 2.629 3.647 . 0 0 "[ . 1 . 2]" 1
432 1 51 ASP HA 1 51 ASP HB2 2.739 . 3.677 2.923 2.703 2.996 . 0 0 "[ . 1 . 2]" 1
433 1 21 VAL QG 1 51 ASP HB3 2.673 . 3.566 3.061 2.738 3.589 0.023 20 0 "[ . 1 . 2]" 1
434 1 51 ASP HB3 1 53 TYR QE 2.747 . 3.690 2.420 2.070 2.783 . 0 0 "[ . 1 . 2]" 1
435 1 51 ASP H 1 51 ASP HB3 2.702 . 3.615 3.466 3.116 3.623 0.008 1 0 "[ . 1 . 2]" 1
436 1 52 PHE HA 1 53 TYR H 2.033 . 2.550 2.183 2.120 2.245 . 0 0 "[ . 1 . 2]" 1
437 1 52 PHE H 1 52 PHE HA 2.403 . 3.125 2.915 2.872 2.945 . 0 0 "[ . 1 . 2]" 1
438 1 47 TYR QD 1 52 PHE HA 2.807 . 3.792 3.858 3.430 4.224 0.432 6 0 "[ . 1 . 2]" 1
439 1 47 TYR QD 1 52 PHE QB 2.864 . 3.889 2.831 1.847 3.842 . 0 0 "[ . 1 . 2]" 1
440 1 53 TYR HA 1 53 TYR HB3 2.336 . 3.018 2.388 2.361 2.410 . 0 0 "[ . 1 . 2]" 1
441 1 2 VAL HA 1 53 TYR HA 2.913 . 3.973 4.046 3.739 4.211 0.238 4 0 "[ . 1 . 2]" 1
442 1 53 TYR HA 1 53 TYR QD 2.594 . 3.435 2.690 2.386 3.203 . 0 0 "[ . 1 . 2]" 1
443 1 3 THR H 1 53 TYR HA 2.314 . 2.983 2.782 2.258 3.003 0.020 8 0 "[ . 1 . 2]" 1
444 1 53 TYR HA 1 54 LYS H 2.153 . 2.732 2.260 2.162 2.393 . 0 0 "[ . 1 . 2]" 1
445 1 53 TYR H 1 53 TYR HA 2.812 . 3.800 2.942 2.927 2.953 . 0 0 "[ . 1 . 2]" 1
446 1 23 VAL MG2 1 53 TYR HB3 2.970 . 4.072 3.374 3.072 3.871 . 0 0 "[ . 1 . 2]" 1
447 1 24 ALA MB 1 75 LEU HA 2.298 . 2.958 2.975 2.787 3.088 0.130 3 0 "[ . 1 . 2]" 1
448 1 54 LYS HA 1 54 LYS HB2 2.337 . 3.020 2.968 2.615 3.035 0.015 20 0 "[ . 1 . 2]" 1
449 1 75 LEU HA 1 75 LEU QB 2.191 . 2.791 2.469 2.302 2.494 . 0 0 "[ . 1 . 2]" 1
450 1 54 LYS HA 1 55 LEU H 2.140 . 2.713 2.196 2.121 2.302 . 0 0 "[ . 1 . 2]" 1
451 1 75 LEU HA 1 76 LEU H 2.014 . 2.521 2.140 2.076 2.186 . 0 0 "[ . 1 . 2]" 1
452 1 79 LYS QB 1 84 VAL QG 2.662 . 3.501 2.637 2.458 2.841 . 0 0 "[ . 1 . 2]" 1
453 1 40 ILE MG 1 54 LYS QE 2.290 . 2.946 2.350 1.837 3.000 0.054 3 0 "[ . 1 . 2]" 1
454 1 55 LEU QB 1 60 LEU QB 2.499 . 3.280 2.550 2.082 3.029 . 0 0 "[ . 1 . 2]" 1
455 1 60 LEU QB 1 60 LEU HG 2.377 . 3.083 2.165 2.145 2.247 . 0 0 "[ . 1 . 2]" 1
456 1 2 VAL HB 1 54 LYS QE 2.797 . 3.775 3.476 2.151 3.822 0.047 12 0 "[ . 1 . 2]" 1
457 1 55 LEU HA 1 55 LEU QD 2.519 . 3.312 2.104 2.006 2.307 . 0 0 "[ . 1 . 2]" 1
458 1 55 LEU HA 1 55 LEU HG 2.524 . 3.320 3.382 2.669 3.552 0.232 6 0 "[ . 1 . 2]" 1
459 1 55 LEU HA 1 55 LEU QB 2.434 . 3.174 2.288 2.203 2.434 . 0 0 "[ . 1 . 2]" 1
460 1 55 LEU HA 1 56 ASP H 2.129 . 2.696 2.349 2.176 2.583 . 0 0 "[ . 1 . 2]" 1
461 1 55 LEU QB 1 55 LEU QD 1.914 . 2.372 1.943 1.879 1.964 . 0 0 "[ . 1 . 2]" 1
462 1 5 PHE HB2 1 55 LEU QD 2.801 . 3.781 1.741 1.626 1.796 0.195 6 0 "[ . 1 . 2]" 1
463 1 5 PHE HB3 1 55 LEU QD 2.524 . 3.320 2.908 2.428 3.048 . 0 0 "[ . 1 . 2]" 1
464 1 55 LEU QD 1 60 LEU QB 2.758 . 3.709 2.641 2.148 3.233 . 0 0 "[ . 1 . 2]" 1
465 1 55 LEU QD 1 55 LEU HG 1.789 . 2.189 1.887 1.872 1.890 . 0 0 "[ . 1 . 2]" 1
466 1 55 LEU MD1 1 55 LEU MD2 2.015 . 2.523 2.060 2.026 2.072 . 0 0 "[ . 1 . 2]" 1
467 1 23 VAL MG2 1 55 LEU QD 2.562 . 3.383 3.004 2.328 3.411 0.028 15 0 "[ . 1 . 2]" 1
468 1 27 ALA HA 1 56 ASP HA 2.612 . 3.465 3.530 2.969 3.677 0.212 2 0 "[ . 1 . 2]" 1
469 1 101 ALA H 1 101 ALA HA 2.237 . 2.863 2.842 2.820 2.875 0.012 19 0 "[ . 1 . 2]" 1
470 1 101 ALA HA 1 102 ASN H 2.713 . 3.633 3.546 3.524 3.577 . 0 0 "[ . 1 . 2]" 1
471 1 57 VAL HA 1 57 VAL HB 2.103 . 2.656 2.648 2.442 2.753 0.097 6 0 "[ . 1 . 2]" 1
472 1 57 VAL HA 1 57 VAL QG 2.180 . 2.774 2.150 2.105 2.313 . 0 0 "[ . 1 . 2]" 1
473 1 57 VAL HA 1 60 LEU QB 2.634 . 3.501 2.556 2.372 2.716 . 0 0 "[ . 1 . 2]" 1
474 1 57 VAL H 1 57 VAL HA 2.421 . 3.154 2.803 2.775 2.850 . 0 0 "[ . 1 . 2]" 1
475 1 57 VAL HA 1 60 LEU H 2.629 . 3.493 2.990 2.799 3.278 . 0 0 "[ . 1 . 2]" 1
476 1 27 ALA MB 1 57 VAL QG 2.247 . 2.878 2.199 1.793 2.504 . 0 0 "[ . 1 . 2]" 1
477 1 57 VAL HB 1 57 VAL QG 2.063 . 2.595 1.886 1.882 1.899 . 0 0 "[ . 1 . 2]" 1
478 1 57 VAL QG 1 58 ASP QB 2.587 . 3.424 3.351 3.257 3.405 . 0 0 "[ . 1 . 2]" 1
479 1 29 TRP HZ2 1 57 VAL QG 2.371 . 3.073 2.913 2.474 3.102 0.029 19 0 "[ . 1 . 2]" 1
480 1 25 PHE HB3 1 57 VAL QG 2.526 . 3.324 2.182 1.936 2.473 . 0 0 "[ . 1 . 2]" 1
481 1 57 VAL QG 1 61 GLY QA 2.763 . 3.718 2.660 2.039 3.453 . 0 0 "[ . 1 . 2]" 1
482 1 25 PHE QD 1 57 VAL QG 2.228 . 2.849 2.557 2.063 2.930 0.081 19 0 "[ . 1 . 2]" 1
483 1 72 MET HA 1 72 MET HB3 2.272 . 2.917 2.402 2.239 2.510 . 0 0 "[ . 1 . 2]" 1
484 1 79 LYS HA 1 79 LYS HG2 2.449 . 3.199 3.221 2.255 3.914 0.715 14 3 "[- . * +. 2]" 1
485 1 79 LYS HA 1 80 ASN H 2.145 . 2.720 2.132 2.099 2.173 . 0 0 "[ . 1 . 2]" 1
486 1 58 ASP QB 1 59 GLU H 2.852 . 3.868 2.887 2.347 3.581 . 0 0 "[ . 1 . 2]" 1
487 1 59 GLU H 1 59 GLU HA 2.393 . 3.109 2.924 2.879 2.945 . 0 0 "[ . 1 . 2]" 1
488 1 59 GLU HA 1 59 GLU HB2 2.545 . 3.355 2.912 2.229 3.027 . 0 0 "[ . 1 . 2]" 1
489 1 60 LEU HA 1 60 LEU QB 2.197 . 2.801 2.434 2.412 2.449 . 0 0 "[ . 1 . 2]" 1
490 1 60 LEU H 1 60 LEU HA 2.619 . 3.476 2.922 2.885 2.940 . 0 0 "[ . 1 . 2]" 1
491 1 60 LEU HA 1 61 GLY H 2.348 . 3.037 2.660 2.552 2.769 . 0 0 "[ . 1 . 2]" 1
492 1 60 LEU H 1 60 LEU QB 2.968 . 4.069 2.372 2.304 2.472 . 0 0 "[ . 1 . 2]" 1
493 1 60 LEU QB 1 60 LEU MD1 2.387 . 3.099 2.368 2.103 2.480 . 0 0 "[ . 1 . 2]" 1
494 1 60 LEU QB 1 63 VAL HB 2.975 . 4.082 3.929 2.187 4.169 0.087 8 0 "[ . 1 . 2]" 1
495 1 20 LEU QD 1 21 VAL H 2.777 . 3.276 2.584 2.346 2.782 . 0 0 "[ . 1 . 2]" 1
496 1 76 LEU HA 1 77 LEU HG 2.715 . 3.636 3.836 3.742 3.889 0.253 11 0 "[ . 1 . 2]" 1
497 1 60 LEU HG 1 63 VAL QG 2.374 . 3.079 2.848 2.592 3.477 0.398 6 0 "[ . 1 . 2]" 1
498 1 61 GLY H 1 61 GLY QA 2.445 . 2.925 2.222 2.209 2.228 . 0 0 "[ . 1 . 2]" 1
499 1 61 GLY QA 1 64 ALA MB 2.889 . 3.855 2.463 2.343 2.521 . 0 0 "[ . 1 . 2]" 1
500 1 62 ASP HA 1 65 GLN HB2 2.152 . 2.731 2.774 2.696 2.827 0.096 15 0 "[ . 1 . 2]" 1
501 1 62 ASP HA 1 62 ASP HB2 2.017 . 2.525 2.680 2.419 3.026 0.501 16 1 "[ . 1 .+ 2]" 1
502 1 62 ASP HA 1 63 VAL H 2.692 . 3.598 3.548 3.502 3.566 . 0 0 "[ . 1 . 2]" 1
503 1 62 ASP H 1 62 ASP HA 2.745 . 3.687 2.824 2.801 2.849 . 0 0 "[ . 1 . 2]" 1
504 1 62 ASP H 1 62 ASP HB2 2.973 . 4.078 2.790 2.366 3.613 . 0 0 "[ . 1 . 2]" 1
505 1 63 VAL HA 1 66 LYS H 2.868 . 3.896 3.207 2.954 3.393 . 0 0 "[ . 1 . 2]" 1
506 1 63 VAL HA 1 67 ASN HD21 2.769 . 3.727 3.677 3.422 3.790 0.063 4 0 "[ . 1 . 2]" 1
507 1 63 VAL H 1 63 VAL HA 2.366 . 3.066 2.824 2.805 2.853 . 0 0 "[ . 1 . 2]" 1
508 1 63 VAL HA 1 63 VAL HB 2.275 . 2.922 2.476 2.397 3.017 0.095 11 0 "[ . 1 . 2]" 1
509 1 63 VAL HA 1 66 LYS QG 2.532 . 3.333 2.431 1.783 3.270 . 0 0 "[ . 1 . 2]" 1
510 1 63 VAL HA 1 63 VAL QG 2.168 . 2.756 2.333 2.125 2.380 . 0 0 "[ . 1 . 2]" 1
511 1 60 LEU MD1 1 63 VAL HB 2.319 . 2.991 3.146 3.042 3.833 0.842 6 1 "[ .+ 1 . 2]" 1
512 1 63 VAL MG1 1 63 VAL MG2 1.924 . 2.387 2.049 2.035 2.075 . 0 0 "[ . 1 . 2]" 1
513 1 63 VAL HB 1 63 VAL QG 2.116 . 2.675 1.880 1.875 1.890 . 0 0 "[ . 1 . 2]" 1
514 1 11 PHE HB3 1 63 VAL QG 2.817 . 3.809 2.828 2.597 3.020 . 0 0 "[ . 1 . 2]" 1
515 1 11 PHE QD 1 63 VAL QG 2.741 . 3.680 2.481 2.254 2.707 . 0 0 "[ . 1 . 2]" 1
516 1 63 VAL QG 1 64 ALA H 2.513 . 3.302 2.162 1.977 3.159 . 0 0 "[ . 1 . 2]" 1
517 1 63 VAL QG 1 67 ASN HD21 2.353 . 3.045 2.384 2.160 2.629 . 0 0 "[ . 1 . 2]" 1
518 1 64 ALA HA 1 69 VAL MG2 2.521 . 3.315 2.527 2.149 3.076 . 0 0 "[ . 1 . 2]" 1
519 1 64 ALA HA 1 69 VAL MG1 2.898 . 3.948 3.868 3.666 4.020 0.072 7 0 "[ . 1 . 2]" 1
520 1 64 ALA HA 1 67 ASN HB2 2.751 . 3.697 3.163 2.925 3.612 . 0 0 "[ . 1 . 2]" 1
521 1 64 ALA H 1 64 ALA HA 2.324 . 2.999 2.783 2.771 2.796 . 0 0 "[ . 1 . 2]" 1
522 1 64 ALA MB 1 65 GLN H 2.227 . 2.847 2.588 2.319 2.728 . 0 0 "[ . 1 . 2]" 1
523 1 64 ALA H 1 64 ALA MB 1.920 . 2.381 2.224 2.210 2.238 . 0 0 "[ . 1 . 2]" 1
524 1 64 ALA HA 1 64 ALA MB 1.907 . 2.361 2.126 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
525 1 57 VAL QG 1 64 ALA MB 2.018 . 2.527 2.017 1.876 2.235 . 0 0 "[ . 1 . 2]" 1
526 1 64 ALA MB 1 69 VAL MG1 2.299 . 2.960 2.759 2.567 2.963 0.003 9 0 "[ . 1 . 2]" 1
527 1 64 ALA MB 1 69 VAL MG2 2.611 . 3.463 2.946 2.384 3.485 0.022 8 0 "[ . 1 . 2]" 1
528 1 65 GLN H 1 65 GLN HB2 2.292 . 2.949 2.430 2.361 2.487 . 0 0 "[ . 1 . 2]" 1
529 1 3 THR HA 1 4 GLN QG 2.541 . 3.348 3.396 3.305 3.448 0.100 6 0 "[ . 1 . 2]" 1
530 1 66 LYS HA 1 66 LYS QB 1.984 . 2.476 2.322 2.133 2.384 . 0 0 "[ . 1 . 2]" 1
531 1 66 LYS HA 1 67 ASN H 2.591 . 3.430 3.486 3.438 3.511 0.081 9 0 "[ . 1 . 2]" 1
532 1 66 LYS H 1 66 LYS HA 2.145 . 2.720 2.783 2.760 2.826 0.106 2 0 "[ . 1 . 2]" 1
533 1 66 LYS QB 1 66 LYS QG 2.376 . 3.081 2.063 1.991 2.077 . 0 0 "[ . 1 . 2]" 1
534 1 66 LYS H 1 66 LYS QB 2.543 . 2.711 2.346 2.036 2.503 . 0 0 "[ . 1 . 2]" 1
535 1 8 ALA MB 1 66 LYS QE 2.491 . 3.267 2.788 2.182 3.289 0.022 18 0 "[ . 1 . 2]" 1
536 1 66 LYS HA 1 66 LYS QG 2.559 . 3.378 2.577 2.360 3.272 . 0 0 "[ . 1 . 2]" 1
537 1 19 LYS QE 1 20 LEU H 2.453 . 3.205 2.903 2.552 3.340 0.135 19 0 "[ . 1 . 2]" 1
538 1 68 GLU HA 1 68 GLU HB3 1.987 . 2.481 2.459 2.347 2.526 0.045 9 0 "[ . 1 . 2]" 1
539 1 68 GLU HA 1 68 GLU HB2 2.648 . 3.525 2.994 2.515 3.023 . 0 0 "[ . 1 . 2]" 1
540 1 68 GLU H 1 68 GLU HG3 2.896 . 3.945 2.965 2.697 4.081 0.136 9 0 "[ . 1 . 2]" 1
541 1 69 VAL HA 1 70 SER H 2.521 . 3.316 2.134 2.118 2.163 . 0 0 "[ . 1 . 2]" 1
542 1 69 VAL H 1 69 VAL HA 2.603 . 3.450 2.889 2.847 2.929 . 0 0 "[ . 1 . 2]" 1
543 1 69 VAL HA 1 69 VAL HB 2.718 . 3.641 3.019 3.011 3.024 . 0 0 "[ . 1 . 2]" 1
544 1 69 VAL HA 1 74 THR MG 2.883 . 3.922 3.345 2.206 3.854 . 0 0 "[ . 1 . 2]" 1
545 1 69 VAL HA 1 69 VAL MG1 2.342 . 3.028 2.459 2.408 2.530 . 0 0 "[ . 1 . 2]" 1
546 1 69 VAL HA 1 69 VAL MG2 2.246 . 2.876 2.330 2.273 2.367 . 0 0 "[ . 1 . 2]" 1
547 1 64 ALA HA 1 69 VAL HB 2.667 . 3.556 2.947 2.555 3.269 . 0 0 "[ . 1 . 2]" 1
548 1 69 VAL H 1 69 VAL MG2 2.229 . 2.850 2.353 2.252 2.510 . 0 0 "[ . 1 . 2]" 1
549 1 25 PHE QD 1 69 VAL MG2 2.696 . 3.605 2.452 1.946 3.156 . 0 0 "[ . 1 . 2]" 1
550 1 67 ASN HB3 1 69 VAL MG2 2.465 . 3.225 2.950 2.499 3.229 0.004 18 0 "[ . 1 . 2]" 1
551 1 67 ASN HB2 1 69 VAL MG2 2.403 . 3.125 2.279 2.061 2.466 . 0 0 "[ . 1 . 2]" 1
552 1 69 VAL HB 1 69 VAL MG2 2.027 . 2.541 2.126 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
553 1 69 VAL MG2 1 74 THR MG 2.020 . 2.530 2.109 1.949 2.299 . 0 0 "[ . 1 . 2]" 1
554 1 25 PHE QD 1 69 VAL MG1 2.701 . 3.613 3.030 2.307 3.630 0.017 18 0 "[ . 1 . 2]" 1
555 1 69 VAL HB 1 69 VAL MG1 1.978 . 2.467 2.128 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
556 1 69 VAL MG1 1 69 VAL MG2 1.918 . 2.378 2.087 2.082 2.097 . 0 0 "[ . 1 . 2]" 1
557 1 69 VAL MG1 1 70 SER HA 2.783 . 3.751 3.545 3.290 3.702 . 0 0 "[ . 1 . 2]" 1
558 1 70 SER HA 1 70 SER HB2 2.115 . 2.674 2.572 2.472 2.984 0.310 19 0 "[ . 1 . 2]" 1
559 1 70 SER HA 1 70 SER HB3 2.112 . 2.670 2.464 2.298 2.987 0.317 20 0 "[ . 1 . 2]" 1
560 1 71 ALA HA 1 72 MET H 2.177 . 2.769 2.274 2.122 2.420 . 0 0 "[ . 1 . 2]" 1
561 1 71 ALA MB 1 72 MET H 2.558 . 3.376 2.764 2.342 3.268 . 0 0 "[ . 1 . 2]" 1
562 1 71 ALA HA 1 71 ALA MB 2.025 . 2.538 2.131 2.127 2.135 . 0 0 "[ . 1 . 2]" 1
563 1 71 ALA MB 1 89 GLY HA2 2.649 . 3.526 2.808 1.956 3.578 0.052 13 0 "[ . 1 . 2]" 1
564 1 74 THR HA 1 74 THR MG 2.252 . 2.886 2.398 2.235 2.502 . 0 0 "[ . 1 . 2]" 1
565 1 74 THR HA 1 74 THR HB 2.679 . 3.576 3.022 2.991 3.037 . 0 0 "[ . 1 . 2]" 1
566 1 74 THR H 1 74 THR HA 2.215 . 2.828 2.928 2.902 2.936 0.108 15 0 "[ . 1 . 2]" 1
567 1 74 THR HA 1 75 LEU H 2.107 . 2.662 2.151 2.117 2.214 . 0 0 "[ . 1 . 2]" 1
568 1 69 VAL MG1 1 74 THR HB 2.426 . 3.162 2.617 2.042 3.186 0.024 5 0 "[ . 1 . 2]" 1
569 1 25 PHE HB2 1 74 THR HB 2.690 . 3.595 2.443 2.047 3.128 . 0 0 "[ . 1 . 2]" 1
570 1 74 THR H 1 74 THR HB 2.739 . 3.677 2.710 2.619 2.973 . 0 0 "[ . 1 . 2]" 1
571 1 74 THR MG 1 76 LEU HG 2.313 . 2.982 2.150 1.939 3.188 0.206 5 0 "[ . 1 . 2]" 1
572 1 74 THR HB 1 74 THR MG 2.239 . 2.866 2.134 2.130 2.137 . 0 0 "[ . 1 . 2]" 1
573 1 74 THR MG 1 75 LEU H 2.351 . 3.042 2.878 2.736 2.977 . 0 0 "[ . 1 . 2]" 1
574 1 24 ALA HA 1 75 LEU HA 2.298 . 2.958 2.644 2.077 2.945 . 0 0 "[ . 1 . 2]" 1
575 1 75 LEU QB 1 76 LEU H 2.721 . 3.646 3.495 2.659 3.596 . 0 0 "[ . 1 . 2]" 1
576 1 75 LEU QB 1 87 VAL HB 2.448 . 3.197 2.498 2.198 4.251 1.054 4 1 "[ +. 1 . 2]" 1
577 1 75 LEU QB 1 75 LEU QD 2.247 . 2.878 2.033 1.846 2.081 . 0 0 "[ . 1 . 2]" 1
578 1 22 VAL QG 1 75 LEU QB 2.585 . 3.420 3.258 2.555 3.440 0.020 7 0 "[ . 1 . 2]" 1
579 1 54 LYS H 1 54 LYS HA 2.777 . 3.741 2.944 2.897 2.966 . 0 0 "[ . 1 . 2]" 1
580 1 76 LEU HA 1 77 LEU MD2 2.764 . 3.719 3.230 3.112 3.491 . 0 0 "[ . 1 . 2]" 1
581 1 76 LEU HA 1 76 LEU QD 2.211 . 2.822 2.274 2.181 2.409 . 0 0 "[ . 1 . 2]" 1
582 1 76 LEU HA 1 76 LEU HB2 2.632 . 3.498 3.018 2.999 3.025 . 0 0 "[ . 1 . 2]" 1
583 1 76 LEU HA 1 77 LEU H 2.055 . 2.583 2.155 2.136 2.174 . 0 0 "[ . 1 . 2]" 1
584 1 76 LEU H 1 76 LEU HA 2.546 . 3.356 2.944 2.929 2.949 . 0 0 "[ . 1 . 2]" 1
585 1 76 LEU HB2 1 78 PHE QE 2.812 . 3.801 2.227 2.007 3.169 . 0 0 "[ . 1 . 2]" 1
586 1 76 LEU QD 1 87 VAL H 2.473 . 3.237 2.287 1.931 2.648 . 0 0 "[ . 1 . 2]" 1
587 1 76 LEU QD 1 86 LYS QE 2.565 . 3.387 2.608 2.038 3.165 . 0 0 "[ . 1 . 2]" 1
588 1 76 LEU QD 1 76 LEU HG 1.842 . 2.266 1.892 1.867 1.896 . 0 0 "[ . 1 . 2]" 1
589 1 86 LYS HA 1 86 LYS HB3 2.755 . 3.704 3.017 2.990 3.030 . 0 0 "[ . 1 . 2]" 1
590 1 22 VAL QG 1 75 LEU QD 1.901 . 2.353 1.934 1.808 2.064 . 0 0 "[ . 1 . 2]" 1
591 1 75 LEU HA 1 75 LEU QD 2.351 . 3.042 1.985 1.851 2.952 . 0 0 "[ . 1 . 2]" 1
592 1 76 LEU HB2 1 76 LEU HG 2.509 . 3.296 2.484 2.422 2.571 . 0 0 "[ . 1 . 2]" 1
593 1 77 LEU H 1 77 LEU HB2 2.901 . 3.953 3.226 2.857 3.361 . 0 0 "[ . 1 . 2]" 1
594 1 77 LEU HB2 1 77 LEU MD1 2.625 . 3.486 2.262 2.209 2.394 . 0 0 "[ . 1 . 2]" 1
595 1 77 LEU MD1 1 98 ALA MB 2.081 . 2.622 1.836 1.749 2.010 . 0 0 "[ . 1 . 2]" 1
596 1 77 LEU MD1 1 102 ASN HB3 2.695 . 3.603 3.409 3.000 3.715 0.112 20 0 "[ . 1 . 2]" 1
597 1 77 LEU H 1 77 LEU MD2 2.564 . 3.386 2.256 2.142 2.494 . 0 0 "[ . 1 . 2]" 1
598 1 77 LEU MD1 1 99 ILE H 2.719 . 3.643 3.376 3.126 3.652 0.009 11 0 "[ . 1 . 2]" 1
599 1 77 LEU MD1 1 102 ASN HB2 2.457 . 3.211 2.359 2.116 2.625 . 0 0 "[ . 1 . 2]" 1
600 1 22 VAL QG 1 77 LEU MD1 2.397 . 3.115 3.054 2.671 3.128 0.013 13 0 "[ . 1 . 2]" 1
601 1 78 PHE H 1 78 PHE HA 2.672 . 3.564 2.926 2.919 2.935 . 0 0 "[ . 1 . 2]" 1
602 1 78 PHE HA 1 84 VAL H 2.351 . 3.042 2.753 2.519 3.050 0.008 13 0 "[ . 1 . 2]" 1
603 1 78 PHE HA 1 79 LYS H 2.022 . 2.533 2.290 2.249 2.336 . 0 0 "[ . 1 . 2]" 1
604 1 78 PHE HA 1 85 ALA H 2.811 . 3.799 3.893 3.816 3.963 0.164 6 0 "[ . 1 . 2]" 1
605 1 78 PHE HA 1 78 PHE QD 2.678 . 3.574 2.998 2.812 3.088 . 0 0 "[ . 1 . 2]" 1
606 1 78 PHE HA 1 84 VAL QG 2.666 . 3.554 3.424 3.278 3.531 . 0 0 "[ . 1 . 2]" 1
607 1 78 PHE HB2 1 78 PHE QD 2.588 . 3.426 2.432 2.325 2.573 . 0 0 "[ . 1 . 2]" 1
608 1 78 PHE HB3 1 78 PHE QD 2.761 . 3.714 2.352 2.267 2.449 . 0 0 "[ . 1 . 2]" 1
609 1 78 PHE HA 1 78 PHE HB2 2.793 . 3.768 2.986 2.932 3.013 . 0 0 "[ . 1 . 2]" 1
610 1 78 PHE HA 1 78 PHE HB3 2.900 . 3.951 2.618 2.541 2.725 . 0 0 "[ . 1 . 2]" 1
611 1 21 VAL HB 1 78 PHE HB3 2.966 . 4.066 4.178 4.122 4.321 0.255 20 0 "[ . 1 . 2]" 1
612 1 15 ILE HB 1 78 PHE HB2 2.791 . 3.765 2.292 2.048 2.639 . 0 0 "[ . 1 . 2]" 1
613 1 21 VAL HB 1 78 PHE HB2 2.723 . 3.650 3.064 2.755 3.801 0.151 20 0 "[ . 1 . 2]" 1
614 1 78 PHE HB2 1 79 LYS H 3.016 . 4.153 3.955 3.834 4.029 . 0 0 "[ . 1 . 2]" 1
615 1 80 ASN HA 1 80 ASN HB3 2.323 . 2.998 2.353 2.227 2.476 . 0 0 "[ . 1 . 2]" 1
616 1 80 ASN HA 1 80 ASN HB2 2.236 . 2.861 2.706 2.405 3.026 0.165 18 0 "[ . 1 . 2]" 1
617 1 80 ASN HA 1 81 GLY H 2.365 . 3.064 2.790 2.637 2.966 . 0 0 "[ . 1 . 2]" 1
618 1 80 ASN H 1 80 ASN HA 1.996 . 2.494 2.275 2.258 2.298 . 0 0 "[ . 1 . 2]" 1
619 1 81 GLY H 1 81 GLY HA2 2.593 . 3.434 2.295 2.289 2.305 . 0 0 "[ . 1 . 2]" 1
620 1 86 LYS HA 1 87 VAL H 2.001 . 2.502 2.150 2.122 2.181 . 0 0 "[ . 1 . 2]" 1
621 1 86 LYS HA 1 86 LYS HB2 2.169 . 2.757 2.418 2.322 2.560 . 0 0 "[ . 1 . 2]" 1
622 1 86 LYS HA 1 86 LYS QG 2.273 . 2.919 2.539 2.354 2.707 . 0 0 "[ . 1 . 2]" 1
623 1 76 LEU QD 1 86 LYS HA 2.342 . 3.028 2.266 2.058 2.519 . 0 0 "[ . 1 . 2]" 1
624 1 82 LYS HB2 1 83 GLU H 2.756 . 3.705 3.886 1.798 4.529 0.824 7 8 "[* -.*+ * ** * 2]" 1
625 1 82 LYS H 1 82 LYS HB3 2.615 . 3.470 3.090 2.212 3.684 0.214 14 0 "[ . 1 . 2]" 1
626 1 82 LYS HB3 1 82 LYS HG3 2.400 . 3.120 2.806 2.416 3.010 . 0 0 "[ . 1 . 2]" 1
627 1 46 GLN HA 1 47 TYR H 2.248 . 2.880 3.135 2.922 3.521 0.641 20 3 "[ - *. 1 . +]" 1
628 1 83 GLU H 1 83 GLU HB2 2.834 . 3.838 3.362 3.108 4.131 0.293 5 0 "[ . 1 . 2]" 1
629 1 84 VAL HA 1 84 VAL HB 1.987 . 2.481 2.604 2.585 2.623 0.142 16 0 "[ . 1 . 2]" 1
630 1 84 VAL HB 1 84 VAL QG 2.118 . 2.538 1.881 1.861 1.887 . 0 0 "[ . 1 . 2]" 1
631 1 77 LEU HB2 1 84 VAL HB 2.904 . 3.958 4.017 3.944 4.097 0.139 20 0 "[ . 1 . 2]" 1
632 1 84 VAL H 1 84 VAL QG 2.148 . 2.725 2.694 2.591 2.745 0.020 10 0 "[ . 1 . 2]" 1
633 1 77 LEU H 1 84 VAL QG 2.754 . 3.702 3.667 3.594 3.734 0.032 20 0 "[ . 1 . 2]" 1
634 1 84 VAL QG 1 85 ALA H 2.426 . 3.162 2.280 2.124 2.409 . 0 0 "[ . 1 . 2]" 1
635 1 77 LEU HB2 1 84 VAL QG 2.050 . 2.575 1.814 1.707 1.914 . 0 0 "[ . 1 . 2]" 1
636 1 84 VAL MG1 1 84 VAL MG2 1.915 . 2.373 2.075 2.056 2.095 . 0 0 "[ . 1 . 2]" 1
637 1 87 VAL QG 1 89 GLY H 2.420 . 3.152 3.204 3.033 3.263 0.111 14 0 "[ . 1 . 2]" 1
638 1 20 LEU QD 1 84 VAL QG 2.023 . 2.535 1.694 1.657 1.782 . 0 0 "[ . 1 . 2]" 1
639 1 85 ALA H 1 85 ALA HA 2.428 . 3.165 2.889 2.875 2.913 . 0 0 "[ . 1 . 2]" 1
640 1 85 ALA HA 1 86 LYS H 1.886 . 2.331 2.361 2.338 2.399 0.068 11 0 "[ . 1 . 2]" 1
641 1 85 ALA MB 1 86 LYS H 2.118 . 2.679 2.358 2.258 2.480 . 0 0 "[ . 1 . 2]" 1
642 1 85 ALA HA 1 85 ALA MB 1.910 . 2.366 2.124 2.096 2.131 . 0 0 "[ . 1 . 2]" 1
643 1 77 LEU MD1 1 85 ALA MB 1.945 . 2.418 2.490 2.436 2.587 0.169 20 0 "[ . 1 . 2]" 1
644 1 85 ALA MB 1 86 LYS HA 2.653 . 3.533 3.788 3.728 3.848 0.315 11 0 "[ . 1 . 2]" 1
645 1 86 LYS H 1 86 LYS HB2 2.840 . 3.848 3.355 3.092 3.549 . 0 0 "[ . 1 . 2]" 1
646 1 86 LYS HB3 1 86 LYS QG 2.260 . 2.898 2.349 2.141 2.495 . 0 0 "[ . 1 . 2]" 1
647 1 87 VAL HA 1 88 VAL H 2.080 . 2.621 2.210 2.134 2.259 . 0 0 "[ . 1 . 2]" 1
648 1 87 VAL HA 1 87 VAL HB 2.474 . 3.239 2.998 2.493 3.031 . 0 0 "[ . 1 . 2]" 1
649 1 87 VAL HA 1 87 VAL QG 2.195 . 2.797 2.140 2.125 2.230 . 0 0 "[ . 1 . 2]" 1
650 1 87 VAL QG 1 88 VAL H 2.378 . 3.085 2.318 2.115 2.546 . 0 0 "[ . 1 . 2]" 1
651 1 87 VAL H 1 87 VAL QG 2.348 . 3.037 2.557 2.268 2.683 . 0 0 "[ . 1 . 2]" 1
652 1 87 VAL HA 1 88 VAL QG 2.181 . 2.775 2.932 2.860 3.009 0.234 12 0 "[ . 1 . 2]" 1
653 1 88 VAL HA 1 88 VAL HB 2.805 . 3.789 2.678 2.345 3.000 . 0 0 "[ . 1 . 2]" 1
654 1 88 VAL H 1 88 VAL HB 2.564 . 3.386 3.213 2.880 3.544 0.158 8 0 "[ . 1 . 2]" 1
655 1 20 LEU QD 1 77 LEU HA 2.687 . 3.590 3.345 3.102 3.480 . 0 0 "[ . 1 . 2]" 1
656 1 88 VAL QG 1 89 GLY H 2.776 . 3.739 3.514 3.406 3.616 . 0 0 "[ . 1 . 2]" 1
657 1 74 THR HA 1 88 VAL QG 2.614 . 3.468 3.416 3.140 3.505 0.037 17 0 "[ . 1 . 2]" 1
658 1 88 VAL HB 1 88 VAL QG 1.969 . 2.454 1.893 1.889 1.899 . 0 0 "[ . 1 . 2]" 1
659 1 86 LYS QE 1 88 VAL QG 2.562 . 3.383 2.092 1.863 3.183 . 0 0 "[ . 1 . 2]" 1
660 1 89 GLY H 1 89 GLY HA3 2.920 . 3.985 2.891 2.859 2.926 . 0 0 "[ . 1 . 2]" 1
661 1 91 ASN H 1 91 ASN HA 2.655 . 3.536 2.939 2.931 2.946 . 0 0 "[ . 1 . 2]" 1
662 1 91 ASN HA 1 92 PRO HD3 2.150 . 2.728 2.626 2.392 2.779 0.051 3 0 "[ . 1 . 2]" 1
663 1 91 ASN HA 1 92 PRO HD2 2.163 . 2.748 2.659 2.510 2.784 0.036 18 0 "[ . 1 . 2]" 1
664 1 91 ASN HA 1 91 ASN HB2 2.591 . 3.430 2.473 2.433 2.519 . 0 0 "[ . 1 . 2]" 1
665 1 91 ASN HA 1 91 ASN HB3 2.415 . 3.144 2.416 2.374 2.456 . 0 0 "[ . 1 . 2]" 1
666 1 91 ASN H 1 91 ASN HB2 2.826 . 3.824 3.772 3.715 3.817 . 0 0 "[ . 1 . 2]" 1
667 1 1 MET HA 1 2 VAL H 2.216 . 2.830 2.249 2.129 2.935 0.105 10 0 "[ . 1 . 2]" 1
668 1 94 ALA MB 1 95 ILE H 2.339 . 3.023 3.043 3.021 3.062 0.039 4 0 "[ . 1 . 2]" 1
669 1 94 ALA H 1 94 ALA MB 2.092 . 2.639 2.252 2.137 2.291 . 0 0 "[ . 1 . 2]" 1
670 1 94 ALA HA 1 94 ALA MB 1.924 . 2.387 2.118 2.093 2.124 . 0 0 "[ . 1 . 2]" 1
671 1 91 ASN HB2 1 94 ALA MB 2.397 . 3.115 1.776 1.746 1.890 . 0 0 "[ . 1 . 2]" 1
672 1 91 ASN HB3 1 94 ALA MB 2.514 . 3.304 2.375 2.043 2.629 . 0 0 "[ . 1 . 2]" 1
673 1 94 ALA MB 1 97 GLN HB3 2.440 . 3.184 3.222 3.083 3.268 0.084 4 0 "[ . 1 . 2]" 1
674 1 87 VAL QG 1 94 ALA MB 2.071 . 2.607 2.365 2.155 2.625 0.018 4 0 "[ . 1 . 2]" 1
675 1 95 ILE HA 1 95 ILE MD 2.005 . 2.507 1.873 1.840 1.915 . 0 0 "[ . 1 . 2]" 1
676 1 95 ILE HA 1 95 ILE HB 2.313 . 2.982 2.562 2.538 2.605 . 0 0 "[ . 1 . 2]" 1
677 1 95 ILE HA 1 98 ALA H 2.840 . 3.848 3.308 3.121 3.423 . 0 0 "[ . 1 . 2]" 1
678 1 95 ILE H 1 95 ILE HA 2.458 . 3.213 2.801 2.777 2.826 . 0 0 "[ . 1 . 2]" 1
679 1 95 ILE HB 1 96 LYS H 2.632 . 3.498 3.751 3.694 3.778 0.280 17 0 "[ . 1 . 2]" 1
680 1 92 PRO HA 1 95 ILE HB 2.679 . 3.576 3.588 3.354 3.710 0.134 4 0 "[ . 1 . 2]" 1
681 1 95 ILE H 1 95 ILE MG 2.623 . 3.483 2.467 2.395 2.593 . 0 0 "[ . 1 . 2]" 1
682 1 95 ILE HA 1 95 ILE MG 2.419 . 3.151 3.209 3.201 3.217 0.066 2 0 "[ . 1 . 2]" 1
683 1 95 ILE HB 1 95 ILE MG 2.093 . 2.641 2.123 2.120 2.129 . 0 0 "[ . 1 . 2]" 1
684 1 95 ILE MG 1 99 ILE MG 2.097 . 2.647 2.872 2.809 2.946 0.299 9 0 "[ . 1 . 2]" 1
685 1 95 ILE MG 1 96 LYS HA 2.775 . 3.738 2.870 2.775 2.940 . 0 0 "[ . 1 . 2]" 1
686 1 95 ILE HG13 1 99 ILE HG13 1.968 . 2.452 2.803 2.564 3.292 0.840 11 4 "[ *. *1+ . -2]" 1
687 1 96 LYS HA 1 99 ILE HB 2.189 . 2.788 2.686 2.370 2.855 0.067 17 0 "[ . 1 . 2]" 1
688 1 43 PHE QD 1 96 LYS HA 2.861 . 3.884 4.095 3.918 5.068 1.184 5 1 "[ + 1 . 2]" 1
689 1 96 LYS H 1 96 LYS HA 2.372 . 3.076 2.783 2.766 2.798 . 0 0 "[ . 1 . 2]" 1
690 1 97 GLN HA 1 97 GLN HB2 2.009 . 2.514 2.434 2.244 2.516 0.002 18 0 "[ . 1 . 2]" 1
691 1 10 GLU H 1 10 GLU HA 2.230 . 2.851 2.837 2.813 2.902 0.051 15 0 "[ . 1 . 2]" 1
692 1 98 ALA HA 1 99 ILE H 2.439 . 3.182 3.406 3.365 3.444 0.262 19 0 "[ . 1 . 2]" 1
693 1 98 ALA HA 1 102 ASN H 2.639 . 3.510 3.721 3.642 3.823 0.313 1 0 "[ . 1 . 2]" 1
694 1 20 LEU QB 1 103 ALA HA 2.636 . 3.505 2.819 2.237 3.174 . 0 0 "[ . 1 . 2]" 1
695 1 95 ILE HA 1 98 ALA MB 2.483 . 3.254 3.090 2.872 3.210 . 0 0 "[ . 1 . 2]" 1
696 1 98 ALA HA 1 98 ALA MB 1.969 . 2.453 2.145 2.140 2.153 . 0 0 "[ . 1 . 2]" 1
697 1 98 ALA MB 1 102 ASN HD21 2.815 . 3.806 2.808 2.492 2.923 . 0 0 "[ . 1 . 2]" 1
698 1 98 ALA H 1 98 ALA MB 2.005 . 2.508 2.260 2.242 2.286 . 0 0 "[ . 1 . 2]" 1
699 1 98 ALA MB 1 99 ILE H 2.276 . 2.923 2.723 2.450 2.903 . 0 0 "[ . 1 . 2]" 1
700 1 77 LEU H 1 98 ALA MB 2.680 . 3.578 3.911 3.844 3.976 0.398 2 0 "[ . 1 . 2]" 1
701 1 99 ILE HA 1 100 ALA H 2.902 . 3.954 3.507 3.490 3.529 . 0 0 "[ . 1 . 2]" 1
702 1 99 ILE H 1 99 ILE HA 2.509 . 3.296 2.840 2.790 2.867 . 0 0 "[ . 1 . 2]" 1
703 1 77 LEU MD1 1 99 ILE HA 2.110 . 2.666 2.455 2.125 2.783 0.117 11 0 "[ . 1 . 2]" 1
704 1 99 ILE HB 1 99 ILE MD 2.357 . 3.052 3.169 3.150 3.199 0.147 19 0 "[ . 1 . 2]" 1
705 1 96 LYS QD 1 99 ILE HB 2.679 . 3.576 3.696 3.589 3.769 0.193 18 0 "[ . 1 . 2]" 1
706 1 99 ILE HB 1 100 ALA H 2.540 . 3.346 3.434 3.381 3.502 0.156 12 0 "[ . 1 . 2]" 1
707 1 99 ILE MD 1 99 ILE MG 1.890 . 2.336 1.951 1.797 2.063 . 0 0 "[ . 1 . 2]" 1
708 1 99 ILE MD 1 103 ALA MB 1.930 . 2.396 2.162 1.846 2.608 0.212 19 0 "[ . 1 . 2]" 1
709 1 99 ILE HA 1 99 ILE MD 2.191 . 2.791 2.147 1.937 2.641 . 0 0 "[ . 1 . 2]" 1
710 1 99 ILE MD 1 99 ILE HG13 2.932 . 4.006 2.099 2.080 2.117 . 0 0 "[ . 1 . 2]" 1
711 1 99 ILE HB 1 99 ILE HG13 2.932 . 4.007 2.468 2.337 2.555 . 0 0 "[ . 1 . 2]" 1
712 1 99 ILE HB 1 99 ILE MG 2.196 . 2.799 2.096 2.086 2.109 . 0 0 "[ . 1 . 2]" 1
713 1 96 LYS QD 1 99 ILE MG 2.100 . 2.651 1.800 1.707 1.941 . 0 0 "[ . 1 . 2]" 1
714 1 96 LYS HA 1 99 ILE MG 2.369 . 3.070 1.840 1.709 1.950 . 0 0 "[ . 1 . 2]" 1
715 1 8 ALA HA 1 60 LEU MD1 2.175 . 2.766 2.798 2.572 2.989 0.223 6 0 "[ . 1 . 2]" 1
716 1 100 ALA H 1 100 ALA MB 1.988 . 2.482 2.314 2.291 2.331 . 0 0 "[ . 1 . 2]" 1
717 1 100 ALA MB 1 101 ALA H 2.221 . 2.838 2.651 2.496 2.751 . 0 0 "[ . 1 . 2]" 1
718 1 101 ALA HA 1 101 ALA MB 1.878 . 2.319 2.125 2.121 2.129 . 0 0 "[ . 1 . 2]" 1
719 1 101 ALA H 1 101 ALA MB 1.964 . 2.446 2.253 2.241 2.274 . 0 0 "[ . 1 . 2]" 1
720 1 102 ASN HA 1 102 ASN HB2 2.969 . 4.071 3.014 3.004 3.021 . 0 0 "[ . 1 . 2]" 1
721 1 102 ASN HB2 1 102 ASN HD21 2.635 . 3.503 2.160 2.138 2.191 . 0 0 "[ . 1 . 2]" 1
722 1 102 ASN HA 1 102 ASN HB3 2.564 . 3.386 2.466 2.392 2.521 . 0 0 "[ . 1 . 2]" 1
723 1 84 VAL QG 1 102 ASN HB3 2.693 . 3.600 1.873 1.746 2.043 0.040 10 0 "[ . 1 . 2]" 1
724 1 103 ALA HA 1 103 ALA MB 2.044 . 2.566 2.127 2.108 2.137 . 0 0 "[ . 1 . 2]" 1
725 1 103 ALA H 1 103 ALA MB 2.067 . 2.601 2.253 2.158 2.697 0.096 11 0 "[ . 1 . 2]" 1
726 1 26 TYR QB 1 26 TYR QD 2.822 . 3.181 2.166 2.083 2.307 . 0 0 "[ . 1 . 2]" 1
727 1 43 PHE H 1 43 PHE QB 2.931 . 3.567 2.423 2.274 2.523 . 0 0 "[ . 1 . 2]" 1
728 1 26 TYR HA 1 26 TYR QB 2.258 . 2.895 2.458 2.146 2.536 . 0 0 "[ . 1 . 2]" 1
729 1 26 TYR HA 1 27 ALA H 2.306 . 2.971 2.498 2.228 2.639 . 0 0 "[ . 1 . 2]" 1
730 1 26 TYR HA 1 26 TYR QD 2.472 . 3.236 2.660 2.190 3.578 0.342 18 0 "[ . 1 . 2]" 1
731 1 26 TYR H 1 26 TYR HA 2.644 . 3.518 2.942 2.863 2.960 . 0 0 "[ . 1 . 2]" 1
732 1 5 PHE HA 1 5 PHE HB3 2.745 . 3.687 2.541 2.505 2.590 . 0 0 "[ . 1 . 2]" 1
733 1 5 PHE HZ 1 11 PHE HA 2.924 . 3.993 3.874 3.696 3.982 . 0 0 "[ . 1 . 2]" 1
734 1 43 PHE HA 1 46 GLN QG 2.526 . 3.324 1.651 1.601 1.697 0.127 18 0 "[ . 1 . 2]" 1
735 1 43 PHE HA 1 43 PHE QD 2.344 . 3.031 2.337 1.949 3.094 0.063 18 0 "[ . 1 . 2]" 1
736 1 43 PHE HA 1 46 GLN H 2.905 . 3.960 2.889 2.372 3.139 . 0 0 "[ . 1 . 2]" 1
737 1 43 PHE H 1 43 PHE HA 2.697 . 3.606 2.802 2.773 2.837 . 0 0 "[ . 1 . 2]" 1
738 1 92 PRO HD3 1 92 PRO HG3 2.718 . 3.641 2.311 2.289 2.330 . 0 0 "[ . 1 . 2]" 1
739 1 92 PRO HD2 1 92 PRO HG3 2.613 . 3.466 2.987 2.966 3.002 . 0 0 "[ . 1 . 2]" 1
740 1 36 ILE HA 1 36 ILE MG 2.381 . 3.090 2.990 2.807 3.128 0.038 12 0 "[ . 1 . 2]" 1
741 1 36 ILE MG 1 92 PRO HG3 2.183 . 2.779 2.290 1.950 2.823 0.044 9 0 "[ . 1 . 2]" 1
742 1 49 GLN HA 1 49 GLN HB3 2.676 . 3.571 2.591 2.268 3.019 . 0 0 "[ . 1 . 2]" 1
743 1 55 LEU QB 1 60 LEU HG 2.539 . 3.345 2.334 2.050 3.375 0.030 6 0 "[ . 1 . 2]" 1
744 1 25 PHE QD 1 55 LEU QB 2.941 . 4.022 2.917 2.348 3.876 . 0 0 "[ . 1 . 2]" 1
745 1 40 ILE H 1 40 ILE HB 2.406 . 3.130 2.271 2.111 2.460 . 0 0 "[ . 1 . 2]" 1
746 1 63 VAL QG 1 67 ASN HD22 2.462 . 3.220 2.500 2.279 2.735 . 0 0 "[ . 1 . 2]" 1
747 1 74 THR HA 1 89 GLY H 2.701 . 3.613 2.984 2.470 3.633 0.020 19 0 "[ . 1 . 2]" 1
748 1 69 VAL MG2 1 74 THR HB 3.076 . 4.259 2.837 2.200 3.432 . 0 0 "[ . 1 . 2]" 1
749 1 79 LYS QB 1 82 LYS H 3.016 . 4.153 4.056 3.972 4.203 0.050 5 0 "[ . 1 . 2]" 1
750 1 79 LYS QB 1 83 GLU H 2.998 . 4.122 3.866 3.046 4.065 . 0 0 "[ . 1 . 2]" 1
751 1 79 LYS QB 1 83 GLU HA 2.981 . 4.092 4.054 3.973 4.159 0.067 18 0 "[ . 1 . 2]" 1
752 1 26 TYR QB 1 54 LYS HB3 2.980 . 4.090 3.782 2.881 4.273 0.183 3 0 "[ . 1 . 2]" 1
753 1 87 VAL QG 1 95 ILE HA 2.274 . 2.920 2.951 2.903 3.011 0.091 18 0 "[ . 1 . 2]" 1
754 1 40 ILE HB 1 54 LYS QD 2.499 . 3.280 3.184 2.478 3.484 0.204 16 0 "[ . 1 . 2]" 1
755 1 36 ILE HB 1 36 ILE HG12 2.454 . 3.207 2.620 2.532 2.678 . 0 0 "[ . 1 . 2]" 1
756 1 32 PRO HA 1 33 CYS H 3.008 . 4.139 3.536 3.497 3.562 . 0 0 "[ . 1 . 2]" 1
757 1 32 PRO HA 1 90 ALA MB 2.768 . 3.726 3.496 3.247 3.768 0.042 19 0 "[ . 1 . 2]" 1
758 1 26 TYR QE 1 37 ALA MB 2.878 . 3.913 2.617 1.946 4.004 0.091 13 0 "[ . 1 . 2]" 1
759 1 31 GLY HA2 1 34 LYS HB2 3.144 . 4.379 3.347 3.040 3.767 . 0 0 "[ . 1 . 2]" 1
760 1 32 PRO HD2 1 72 MET ME 2.701 . 3.613 2.968 2.406 3.504 . 0 0 "[ . 1 . 2]" 1
761 1 30 CYS HB2 1 32 PRO HD2 2.733 . 3.667 2.221 1.939 3.047 . 0 0 "[ . 1 . 2]" 1
762 1 31 GLY HA3 1 32 PRO HD2 2.935 . 4.012 3.576 3.231 3.959 . 0 0 "[ . 1 . 2]" 1
763 1 32 PRO HD3 1 33 CYS H 3.149 . 4.389 3.930 3.551 4.174 . 0 0 "[ . 1 . 2]" 1
764 1 31 GLY HA3 1 32 PRO HD3 2.883 . 3.922 2.667 2.369 3.112 . 0 0 "[ . 1 . 2]" 1
765 1 30 CYS HB2 1 32 PRO HD3 2.683 . 3.583 3.674 3.479 3.905 0.322 7 0 "[ . 1 . 2]" 1
766 1 32 PRO HD3 1 72 MET ME 2.680 . 3.578 3.610 3.387 3.703 0.125 13 0 "[ . 1 . 2]" 1
767 1 30 CYS HA 1 30 CYS HB3 2.861 . 3.884 2.427 2.298 2.865 . 0 0 "[ . 1 . 2]" 1
768 1 2 VAL H 1 2 VAL QG 2.968 . 4.069 1.988 1.809 2.624 0.058 13 0 "[ . 1 . 2]" 1
769 1 2 VAL H 1 2 VAL HB 2.829 . 3.830 3.450 2.617 3.671 . 0 0 "[ . 1 . 2]" 1
770 1 1 MET HG3 1 2 VAL H 3.554 . 5.133 4.117 2.688 5.140 0.007 2 0 "[ . 1 . 2]" 1
771 1 3 THR H 1 53 TYR HB3 3.550 . 5.126 4.484 4.081 4.789 . 0 0 "[ . 1 . 2]" 1
772 1 3 THR H 1 54 LYS H 3.337 . 4.729 4.169 3.714 4.453 . 0 0 "[ . 1 . 2]" 1
773 1 3 THR H 1 4 GLN H 3.604 . 5.228 4.556 4.503 4.604 . 0 0 "[ . 1 . 2]" 1
774 1 3 THR H 1 53 TYR QD 3.529 . 5.085 2.969 2.419 3.847 . 0 0 "[ . 1 . 2]" 1
775 1 4 GLN H 1 4 GLN HA 2.383 . 3.093 2.932 2.922 2.939 . 0 0 "[ . 1 . 2]" 1
776 1 3 THR HA 1 4 GLN H 2.206 . 2.814 2.182 2.111 2.233 . 0 0 "[ . 1 . 2]" 1
777 1 3 THR HB 1 4 GLN H 3.453 . 4.944 4.224 4.174 4.255 . 0 0 "[ . 1 . 2]" 1
778 1 4 GLN H 1 4 GLN HB3 2.571 . 3.397 3.193 2.965 3.365 . 0 0 "[ . 1 . 2]" 1
779 1 5 PHE H 1 5 PHE QD 3.051 . 4.215 3.493 3.296 3.637 . 0 0 "[ . 1 . 2]" 1
780 1 4 GLN HA 1 5 PHE H 2.173 . 2.763 2.179 2.124 2.246 . 0 0 "[ . 1 . 2]" 1
781 1 5 PHE H 1 5 PHE HB3 2.902 . 3.955 3.628 3.593 3.686 . 0 0 "[ . 1 . 2]" 1
782 1 5 PHE H 1 5 PHE HB2 2.468 . 3.229 2.417 2.335 2.489 . 0 0 "[ . 1 . 2]" 1
783 1 55 LEU QB 1 56 ASP H 3.024 . 4.167 2.603 2.165 3.291 . 0 0 "[ . 1 . 2]" 1
784 1 3 THR MG 1 5 PHE H 3.037 . 4.190 3.525 3.241 3.849 . 0 0 "[ . 1 . 2]" 1
785 1 5 PHE H 1 55 LEU QD 3.175 . 4.435 1.772 1.488 2.468 0.427 4 0 "[ . 1 . 2]" 1
786 1 5 PHE H 1 55 LEU HA 3.196 . 4.473 3.036 2.290 3.418 . 0 0 "[ . 1 . 2]" 1
787 1 6 LYS H 1 55 LEU QD 3.357 . 4.766 4.317 3.564 4.722 . 0 0 "[ . 1 . 2]" 1
788 1 6 LYS H 1 7 THR MG 3.407 . 4.858 4.181 3.937 4.442 . 0 0 "[ . 1 . 2]" 1
789 1 6 LYS H 1 6 LYS HG3 2.846 . 3.859 3.045 2.572 3.467 . 0 0 "[ . 1 . 2]" 1
790 1 5 PHE HB2 1 6 LYS H 3.248 . 4.567 3.748 3.585 4.141 . 0 0 "[ . 1 . 2]" 1
791 1 5 PHE HB3 1 6 LYS H 3.036 . 4.188 2.486 2.317 3.095 . 0 0 "[ . 1 . 2]" 1
792 1 5 PHE HA 1 6 LYS H 2.208 . 2.818 2.351 2.147 2.438 . 0 0 "[ . 1 . 2]" 1
793 1 5 PHE QD 1 6 LYS H 3.051 . 4.214 3.540 3.356 3.742 . 0 0 "[ . 1 . 2]" 1
794 1 6 LYS H 1 7 THR H 2.162 . 2.746 1.994 1.770 2.372 . 0 0 "[ . 1 . 2]" 1
795 1 5 PHE QD 1 7 THR H 3.265 . 4.597 4.583 4.460 4.678 0.081 13 0 "[ . 1 . 2]" 1
796 1 7 THR H 1 7 THR HA 2.426 . 3.162 2.920 2.912 2.927 . 0 0 "[ . 1 . 2]" 1
797 1 5 PHE HB3 1 7 THR H 2.914 . 3.975 2.703 2.589 2.861 . 0 0 "[ . 1 . 2]" 1
798 1 7 THR H 1 7 THR MG 2.687 . 3.590 3.089 2.977 3.199 . 0 0 "[ . 1 . 2]" 1
799 1 7 THR H 1 60 LEU MD1 2.935 . 4.012 3.263 2.854 3.680 . 0 0 "[ . 1 . 2]" 1
800 1 6 LYS HG3 1 7 THR H 3.385 . 4.818 3.006 2.766 3.408 . 0 0 "[ . 1 . 2]" 1
801 1 7 THR H 1 8 ALA H 3.412 . 4.867 4.414 4.388 4.449 . 0 0 "[ . 1 . 2]" 1
802 1 7 THR HA 1 8 ALA H 2.054 . 2.581 2.252 2.161 2.303 . 0 0 "[ . 1 . 2]" 1
803 1 8 ALA H 1 9 SER H 3.297 . 4.656 2.583 2.520 2.669 . 0 0 "[ . 1 . 2]" 1
804 1 9 SER H 1 10 GLU H 3.076 . 4.259 2.713 2.602 2.816 . 0 0 "[ . 1 . 2]" 1
805 1 8 ALA MB 1 9 SER H 3.102 . 4.305 2.621 2.449 2.748 . 0 0 "[ . 1 . 2]" 1
806 1 10 GLU H 1 10 GLU HG2 2.425 . 3.160 2.493 2.200 2.757 . 0 0 "[ . 1 . 2]" 1
807 1 7 THR MG 1 10 GLU H 3.218 . 4.513 4.042 3.922 4.219 . 0 0 "[ . 1 . 2]" 1
808 1 10 GLU H 1 11 PHE H 2.418 . 3.149 2.648 2.376 2.751 . 0 0 "[ . 1 . 2]" 1
809 1 8 ALA HA 1 11 PHE H 2.853 . 3.871 3.381 3.210 3.532 . 0 0 "[ . 1 . 2]" 1
810 1 11 PHE H 1 11 PHE HA 2.239 . 2.866 2.817 2.793 2.844 . 0 0 "[ . 1 . 2]" 1
811 1 11 PHE H 1 11 PHE HB2 2.462 . 3.220 2.878 2.788 2.974 . 0 0 "[ . 1 . 2]" 1
812 1 5 PHE QD 1 11 PHE H 3.255 . 4.579 3.725 3.572 4.164 . 0 0 "[ . 1 . 2]" 1
813 1 40 ILE H 1 40 ILE HA 2.888 . 3.930 2.795 2.746 2.827 . 0 0 "[ . 1 . 2]" 1
814 1 36 ILE HG12 1 40 ILE H 2.555 . 3.371 2.587 2.258 2.763 . 0 0 "[ . 1 . 2]" 1
815 1 36 ILE MD 1 40 ILE H 3.088 . 4.280 3.971 3.278 4.257 . 0 0 "[ . 1 . 2]" 1
816 1 11 PHE H 1 13 SER H 3.249 . 4.569 4.220 3.927 4.425 . 0 0 "[ . 1 . 2]" 1
817 1 13 SER H 1 13 SER QB 2.165 . 2.751 2.402 2.246 2.544 . 0 0 "[ . 1 . 2]" 1
818 1 12 ASP QB 1 13 SER H 2.376 . 3.081 2.578 2.414 2.796 . 0 0 "[ . 1 . 2]" 1
819 1 13 SER H 1 14 ALA MB 3.202 . 4.484 4.293 4.217 4.342 . 0 0 "[ . 1 . 2]" 1
820 1 14 ALA H 1 16 ALA H 2.950 . 4.038 3.862 3.689 3.977 . 0 0 "[ . 1 . 2]" 1
821 1 14 ALA H 1 14 ALA HA 2.406 . 3.130 2.838 2.808 2.882 . 0 0 "[ . 1 . 2]" 1
822 1 13 SER QB 1 14 ALA H 2.468 . 3.230 2.732 2.582 2.905 . 0 0 "[ . 1 . 2]" 1
823 1 11 PHE HA 1 14 ALA H 3.198 . 4.477 3.563 3.413 3.688 . 0 0 "[ . 1 . 2]" 1
824 1 14 ALA H 1 15 ILE H 2.479 . 3.247 2.644 2.448 2.754 . 0 0 "[ . 1 . 2]" 1
825 1 15 ILE H 1 16 ALA H 2.411 . 3.138 2.603 2.567 2.678 . 0 0 "[ . 1 . 2]" 1
826 1 14 ALA HA 1 15 ILE H 2.933 . 4.009 3.551 3.536 3.561 . 0 0 "[ . 1 . 2]" 1
827 1 11 PHE HA 1 15 ILE H 3.413 . 4.869 4.032 3.899 4.226 . 0 0 "[ . 1 . 2]" 1
828 1 14 ALA MB 1 15 ILE H 2.383 . 3.093 2.393 2.303 2.575 . 0 0 "[ . 1 . 2]" 1
829 1 15 ILE H 1 15 ILE HG13 2.273 . 2.919 2.998 2.976 3.049 0.130 20 0 "[ . 1 . 2]" 1
830 1 15 ILE H 1 15 ILE MD 2.986 . 4.100 3.761 3.722 3.796 . 0 0 "[ . 1 . 2]" 1
831 1 15 ILE H 1 15 ILE MG 2.307 . 2.972 2.146 2.082 2.202 . 0 0 "[ . 1 . 2]" 1
832 1 15 ILE MG 1 16 ALA H 3.272 . 4.610 4.047 4.019 4.082 . 0 0 "[ . 1 . 2]" 1
833 1 15 ILE HG13 1 16 ALA H 2.597 . 3.440 2.528 2.417 2.695 . 0 0 "[ . 1 . 2]" 1
834 1 15 ILE HA 1 16 ALA H 2.923 . 3.991 3.446 3.405 3.480 . 0 0 "[ . 1 . 2]" 1
835 1 17 GLN H 1 17 GLN HG3 2.347 . 3.036 2.437 2.320 2.565 . 0 0 "[ . 1 . 2]" 1
836 1 17 GLN H 1 17 GLN HB2 2.364 . 3.063 2.422 2.383 2.476 . 0 0 "[ . 1 . 2]" 1
837 1 15 ILE HA 1 17 GLN H 3.194 . 4.469 3.602 3.539 3.733 . 0 0 "[ . 1 . 2]" 1
838 1 16 ALA H 1 17 GLN H 2.475 . 3.240 2.472 2.344 2.569 . 0 0 "[ . 1 . 2]" 1
839 1 17 GLN H 1 80 ASN H 3.418 . 4.878 4.379 4.029 4.745 . 0 0 "[ . 1 . 2]" 1
840 1 18 ASP H 1 80 ASN H 3.544 . 5.114 4.759 4.322 5.191 0.077 6 0 "[ . 1 . 2]" 1
841 1 18 ASP H 1 19 LYS H 3.349 . 4.751 3.053 2.788 3.471 . 0 0 "[ . 1 . 2]" 1
842 1 26 TYR QD 1 55 LEU H 3.110 . 4.319 4.225 3.839 4.572 0.253 19 0 "[ . 1 . 2]" 1
843 1 25 PHE HA 1 55 LEU H 3.093 . 4.289 3.126 2.901 3.714 . 0 0 "[ . 1 . 2]" 1
844 1 18 ASP H 1 18 ASP HB3 2.650 . 3.528 3.170 2.398 3.614 0.086 15 0 "[ . 1 . 2]" 1
845 1 18 ASP H 1 18 ASP HB2 2.762 . 3.715 2.555 2.142 3.608 . 0 0 "[ . 1 . 2]" 1
846 1 17 GLN HB3 1 18 ASP H 3.109 . 4.317 2.606 2.364 2.854 . 0 0 "[ . 1 . 2]" 1
847 1 55 LEU H 1 55 LEU HG 2.834 . 3.838 2.580 2.340 3.272 . 0 0 "[ . 1 . 2]" 1
848 1 55 LEU H 1 55 LEU QB 2.505 . 3.289 2.606 2.289 2.800 . 0 0 "[ . 1 . 2]" 1
849 1 57 VAL H 1 57 VAL QG 2.510 . 3.023 2.554 1.869 2.779 . 0 0 "[ . 1 . 2]" 1
850 1 55 LEU H 1 55 LEU QD 2.864 . 3.889 2.852 2.518 3.561 . 0 0 "[ . 1 . 2]" 1
851 1 19 LYS H 1 80 ASN H 2.644 . 3.518 3.313 2.839 3.782 0.264 2 0 "[ . 1 . 2]" 1
852 1 18 ASP HB3 1 19 LYS H 2.940 . 4.021 4.200 3.019 4.591 0.570 3 1 "[ + . 1 . 2]" 1
853 1 18 ASP HB2 1 19 LYS H 3.253 . 4.576 4.232 3.891 4.563 . 0 0 "[ . 1 . 2]" 1
854 1 20 LEU H 1 21 VAL H 3.351 . 4.755 4.340 4.197 4.505 . 0 0 "[ . 1 . 2]" 1
855 1 19 LYS QB 1 20 LEU H 2.130 . 2.697 2.334 1.909 2.677 . 0 0 "[ . 1 . 2]" 1
856 1 19 LYS QG 1 20 LEU H 2.281 . 2.931 2.985 2.610 4.247 1.316 8 1 "[ . + 1 . 2]" 1
857 1 20 LEU H 1 20 LEU QD 3.234 . 4.541 3.657 3.553 3.792 . 0 0 "[ . 1 . 2]" 1
858 1 20 LEU H 1 103 ALA HA 3.696 . 5.404 5.188 4.260 5.510 0.106 11 0 "[ . 1 . 2]" 1
859 1 21 VAL H 1 84 VAL QG 3.467 . 4.970 4.398 4.122 4.672 . 0 0 "[ . 1 . 2]" 1
860 1 21 VAL H 1 79 LYS QB 3.235 . 4.543 4.433 4.334 4.512 . 0 0 "[ . 1 . 2]" 1
861 1 21 VAL H 1 21 VAL HB 2.574 . 3.402 2.612 2.526 2.748 . 0 0 "[ . 1 . 2]" 1
862 1 21 VAL H 1 78 PHE HB2 3.086 . 4.276 4.039 3.866 4.327 0.051 18 0 "[ . 1 . 2]" 1
863 1 21 VAL H 1 22 VAL H 3.508 . 5.046 4.160 3.986 4.466 . 0 0 "[ . 1 . 2]" 1
864 1 24 ALA H 1 54 LYS HA 2.564 . 3.386 1.985 1.645 2.637 0.097 18 0 "[ . 1 . 2]" 1
865 1 23 VAL H 1 77 LEU HA 3.121 . 4.339 3.215 2.790 3.557 . 0 0 "[ . 1 . 2]" 1
866 1 23 VAL H 1 23 VAL HB 2.590 . 3.429 2.517 2.301 2.756 . 0 0 "[ . 1 . 2]" 1
867 1 23 VAL H 1 76 LEU HB2 3.457 . 4.951 4.173 3.840 4.686 . 0 0 "[ . 1 . 2]" 1
868 1 22 VAL HB 1 23 VAL H 3.181 . 4.446 4.113 4.030 4.345 . 0 0 "[ . 1 . 2]" 1
869 1 22 VAL QG 1 23 VAL H 2.555 . 3.371 3.160 2.963 3.276 . 0 0 "[ . 1 . 2]" 1
870 1 25 PHE H 1 25 PHE QD 2.670 . 3.561 2.514 1.934 3.363 . 0 0 "[ . 1 . 2]" 1
871 1 25 PHE H 1 25 PHE HB2 2.750 . 3.695 2.379 2.298 2.453 . 0 0 "[ . 1 . 2]" 1
872 1 75 LEU QD 1 76 LEU H 2.743 . 3.683 3.204 3.082 3.709 0.026 4 0 "[ . 1 . 2]" 1
873 1 76 LEU H 1 76 LEU HG 2.583 . 3.417 2.787 2.468 3.960 0.543 5 1 "[ + 1 . 2]" 1
874 1 76 LEU H 1 76 LEU HB2 2.676 . 3.571 2.800 2.738 2.881 . 0 0 "[ . 1 . 2]" 1
875 1 23 VAL HB 1 76 LEU H 3.221 . 4.518 4.277 3.619 4.594 0.076 16 0 "[ . 1 . 2]" 1
876 1 76 LEU H 1 77 LEU MD2 3.139 . 4.370 3.575 3.254 3.834 . 0 0 "[ . 1 . 2]" 1
877 1 26 TYR H 1 26 TYR QD 2.853 . 3.870 3.382 3.041 3.881 0.011 12 0 "[ . 1 . 2]" 1
878 1 25 PHE HB3 1 26 TYR H 2.952 . 4.041 3.451 3.151 3.802 . 0 0 "[ . 1 . 2]" 1
879 1 26 TYR H 1 57 VAL QG 2.957 . 4.050 3.627 3.034 3.881 . 0 0 "[ . 1 . 2]" 1
880 1 26 TYR H 1 56 ASP HA 3.360 . 4.771 2.995 1.982 3.986 . 0 0 "[ . 1 . 2]" 1
881 1 26 TYR QD 1 27 ALA H 2.908 . 3.965 3.285 2.528 3.980 0.015 9 0 "[ . 1 . 2]" 1
882 1 27 ALA H 1 28 THR HA 3.348 . 4.749 4.622 4.417 4.887 0.138 18 0 "[ . 1 . 2]" 1
883 1 26 TYR QB 1 27 ALA H 2.499 . 3.280 2.213 1.787 2.941 . 0 0 "[ . 1 . 2]" 1
884 1 28 THR H 1 28 THR MG 3.152 . 4.394 2.921 2.497 3.728 . 0 0 "[ . 1 . 2]" 1
885 1 28 THR MG 1 29 TRP H 3.526 . 5.080 4.305 4.033 4.436 . 0 0 "[ . 1 . 2]" 1
886 1 29 TRP H 1 29 TRP HB2 3.222 . 4.519 3.661 3.587 3.754 . 0 0 "[ . 1 . 2]" 1
887 1 28 THR HB 1 29 TRP H 3.580 . 5.182 3.898 2.857 4.200 . 0 0 "[ . 1 . 2]" 1
888 1 29 TRP H 1 29 TRP HD1 2.979 . 4.088 3.492 2.724 4.050 . 0 0 "[ . 1 . 2]" 1
889 1 33 CYS H 1 33 CYS HA 2.938 . 4.017 2.786 2.761 2.829 . 0 0 "[ . 1 . 2]" 1
890 1 32 PRO HD2 1 33 CYS H 2.606 . 3.455 2.631 2.203 2.917 . 0 0 "[ . 1 . 2]" 1
891 1 33 CYS H 1 33 CYS HB3 3.061 . 4.232 3.165 2.478 3.610 . 0 0 "[ . 1 . 2]" 1
892 1 32 PRO HG3 1 33 CYS H 3.039 . 4.194 4.400 3.815 4.593 0.399 10 0 "[ . 1 . 2]" 1
893 1 35 MET HB2 1 36 ILE H 2.657 . 3.540 3.633 3.569 3.697 0.157 5 0 "[ . 1 . 2]" 1
894 1 36 ILE H 1 36 ILE MD 2.642 . 3.514 3.286 2.715 3.666 0.152 12 0 "[ . 1 . 2]" 1
895 1 36 ILE MD 1 37 ALA H 2.846 . 3.858 2.724 2.364 2.925 . 0 0 "[ . 1 . 2]" 1
896 1 36 ILE HA 1 37 ALA H 3.095 . 4.292 3.409 3.364 3.464 . 0 0 "[ . 1 . 2]" 1
897 1 36 ILE HG12 1 39 MET H 3.341 . 4.736 4.382 4.110 4.642 . 0 0 "[ . 1 . 2]" 1
898 1 39 MET H 1 39 MET HB2 2.544 . 3.353 2.498 2.414 2.617 . 0 0 "[ . 1 . 2]" 1
899 1 39 MET H 1 39 MET HG2 2.734 . 3.668 2.395 2.165 3.454 . 0 0 "[ . 1 . 2]" 1
900 1 38 PRO HD3 1 39 MET H 3.043 . 4.201 3.915 3.656 4.206 0.005 7 0 "[ . 1 . 2]" 1
901 1 39 MET H 1 40 ILE H 2.407 . 3.131 2.952 2.850 3.039 . 0 0 "[ . 1 . 2]" 1
902 1 41 GLU H 1 41 GLU QB 2.066 . 2.600 2.249 2.150 2.439 . 0 0 "[ . 1 . 2]" 1
903 1 40 ILE H 1 41 GLU H 2.482 . 3.252 2.723 2.648 2.867 . 0 0 "[ . 1 . 2]" 1
904 1 2 VAL QG 1 41 GLU H 3.469 . 4.974 3.823 3.595 4.065 . 0 0 "[ . 1 . 2]" 1
905 1 37 ALA MB 1 41 GLU H 3.607 . 5.233 4.868 4.694 5.009 . 0 0 "[ . 1 . 2]" 1
906 1 42 LYS H 1 43 PHE H 2.609 . 3.460 2.660 2.560 2.753 . 0 0 "[ . 1 . 2]" 1
907 1 43 PHE H 1 43 PHE QD 3.155 . 4.399 2.316 1.877 2.660 0.034 18 0 "[ . 1 . 2]" 1
908 1 39 MET HA 1 43 PHE H 3.106 . 4.312 4.283 4.112 4.386 0.074 1 0 "[ . 1 . 2]" 1
909 1 41 GLU QB 1 43 PHE H 3.453 . 4.944 4.658 4.456 4.777 . 0 0 "[ . 1 . 2]" 1
910 1 42 LYS HB3 1 43 PHE H 2.584 . 3.419 2.565 2.346 2.778 . 0 0 "[ . 1 . 2]" 1
911 1 2 VAL QG 1 44 SER H 3.323 . 4.703 4.245 3.841 4.736 0.033 17 0 "[ . 1 . 2]" 1
912 1 43 PHE QB 1 44 SER H 2.599 . 3.444 3.108 2.984 3.220 . 0 0 "[ . 1 . 2]" 1
913 1 44 SER H 1 44 SER HA 2.535 . 3.338 2.883 2.856 2.905 . 0 0 "[ . 1 . 2]" 1
914 1 44 SER H 1 44 SER QB 2.536 . 3.340 2.528 2.306 2.907 . 0 0 "[ . 1 . 2]" 1
915 1 43 PHE HA 1 44 SER H 2.713 . 3.633 3.415 3.369 3.476 . 0 0 "[ . 1 . 2]" 1
916 1 44 SER H 1 45 GLU H 2.661 . 3.546 2.220 2.102 2.343 . 0 0 "[ . 1 . 2]" 1
917 1 43 PHE H 1 44 SER H 2.650 . 3.528 2.602 2.525 2.705 . 0 0 "[ . 1 . 2]" 1
918 1 45 GLU H 1 46 GLN QG 2.599 . 3.443 3.373 3.205 3.506 0.063 2 0 "[ . 1 . 2]" 1
919 1 44 SER HA 1 45 GLU H 3.200 . 4.480 3.381 3.341 3.413 . 0 0 "[ . 1 . 2]" 1
920 1 43 PHE HA 1 45 GLU H 2.870 . 3.900 3.696 3.376 3.889 . 0 0 "[ . 1 . 2]" 1
921 1 45 GLU H 1 46 GLN H 2.317 . 2.988 2.231 2.170 2.336 . 0 0 "[ . 1 . 2]" 1
922 1 44 SER H 1 47 TYR H 3.341 . 4.736 4.920 4.769 5.018 0.282 17 0 "[ . 1 . 2]" 1
923 1 47 TYR H 1 47 TYR QD 2.599 . 3.443 2.575 1.651 3.361 0.104 8 0 "[ . 1 . 2]" 1
924 1 45 GLU H 1 47 TYR H 3.079 . 4.264 4.018 3.651 4.217 . 0 0 "[ . 1 . 2]" 1
925 1 43 PHE HA 1 47 TYR H 3.368 . 4.786 4.667 3.976 4.997 0.211 11 0 "[ . 1 . 2]" 1
926 1 46 GLN QG 1 47 TYR H 3.563 . 5.149 3.876 3.474 4.331 . 0 0 "[ . 1 . 2]" 1
927 1 49 GLN H 1 50 ALA MB 3.245 . 4.561 3.783 3.588 4.005 . 0 0 "[ . 1 . 2]" 1
928 1 49 GLN H 1 49 GLN HB3 2.398 . 3.117 2.822 2.438 3.221 0.104 11 0 "[ . 1 . 2]" 1
929 1 49 GLN H 1 49 GLN HG3 3.103 . 4.307 3.343 1.966 4.618 0.311 6 0 "[ . 1 . 2]" 1
930 1 49 GLN H 1 50 ALA H 2.439 . 3.183 2.299 2.098 2.773 . 0 0 "[ . 1 . 2]" 1
931 1 50 ALA H 1 51 ASP H 3.083 . 4.271 4.448 4.387 4.492 0.221 17 0 "[ . 1 . 2]" 1
932 1 22 VAL H 1 51 ASP H 3.046 . 4.206 3.688 3.248 4.230 0.024 11 0 "[ . 1 . 2]" 1
933 1 51 ASP H 1 51 ASP HB2 2.528 . 3.327 2.427 2.262 2.811 . 0 0 "[ . 1 . 2]" 1
934 1 50 ALA MB 1 51 ASP H 2.402 . 3.123 2.508 2.308 2.809 . 0 0 "[ . 1 . 2]" 1
935 1 20 LEU QB 1 51 ASP H 3.704 . 5.419 3.225 2.875 3.893 . 0 0 "[ . 1 . 2]" 1
936 1 52 PHE H 1 53 TYR H 3.493 . 5.018 4.374 4.267 4.487 . 0 0 "[ . 1 . 2]" 1
937 1 47 TYR QD 1 52 PHE H 2.662 . 3.548 3.538 2.724 3.765 0.217 3 0 "[ . 1 . 2]" 1
938 1 52 PHE H 1 52 PHE QB 2.655 . 3.536 2.595 2.162 3.007 . 0 0 "[ . 1 . 2]" 1
939 1 21 VAL QG 1 53 TYR H 3.137 . 4.367 4.269 4.091 4.356 . 0 0 "[ . 1 . 2]" 1
940 1 2 VAL QG 1 53 TYR H 3.015 . 4.151 3.513 3.128 3.976 . 0 0 "[ . 1 . 2]" 1
941 1 52 PHE QB 1 53 TYR H 3.077 . 4.260 3.458 3.279 3.683 . 0 0 "[ . 1 . 2]" 1
942 1 53 TYR H 1 53 TYR HB2 2.667 . 3.556 2.870 2.812 2.968 . 0 0 "[ . 1 . 2]" 1
943 1 53 TYR H 1 53 TYR QD 2.891 . 3.935 3.258 2.502 3.594 . 0 0 "[ . 1 . 2]" 1
944 1 54 LYS H 1 55 LEU H 3.384 . 4.815 4.272 4.082 4.492 . 0 0 "[ . 1 . 2]" 1
945 1 53 TYR H 1 54 LYS H 3.586 . 5.193 4.381 4.241 4.456 . 0 0 "[ . 1 . 2]" 1
946 1 53 TYR QD 1 54 LYS H 3.236 . 4.545 4.190 4.021 4.531 . 0 0 "[ . 1 . 2]" 1
947 1 4 GLN HA 1 54 LYS H 2.759 . 3.711 2.883 2.578 3.168 . 0 0 "[ . 1 . 2]" 1
948 1 53 TYR HB3 1 54 LYS H 2.566 . 3.389 2.914 2.501 3.199 . 0 0 "[ . 1 . 2]" 1
949 1 2 VAL HB 1 54 LYS H 3.321 . 4.700 4.660 4.069 4.879 0.179 3 0 "[ . 1 . 2]" 1
950 1 3 THR MG 1 54 LYS H 2.793 . 3.768 3.910 3.838 3.978 0.210 5 0 "[ . 1 . 2]" 1
951 1 24 ALA H 1 55 LEU H 2.871 . 3.901 2.986 2.637 3.562 . 0 0 "[ . 1 . 2]" 1
952 1 5 PHE H 1 55 LEU H 3.466 . 4.968 4.995 4.579 5.095 0.127 20 0 "[ . 1 . 2]" 1
953 1 55 LEU QD 1 56 ASP H 2.975 . 4.081 3.511 2.442 3.835 . 0 0 "[ . 1 . 2]" 1
954 1 56 ASP H 1 56 ASP QB 2.624 . 3.484 2.682 2.292 3.096 . 0 0 "[ . 1 . 2]" 1
955 1 56 ASP H 1 59 GLU H 3.491 . 5.014 4.853 4.438 5.089 0.075 18 0 "[ . 1 . 2]" 1
956 1 56 ASP QB 1 57 VAL H 3.438 . 4.915 3.453 3.119 3.711 . 0 0 "[ . 1 . 2]" 1
957 1 56 ASP HA 1 57 VAL H 2.235 . 2.859 2.136 2.063 2.267 . 0 0 "[ . 1 . 2]" 1
958 1 58 ASP H 1 59 GLU H 2.233 . 2.856 2.511 1.955 2.729 . 0 0 "[ . 1 . 2]" 1
959 1 56 ASP QB 1 58 ASP H 2.276 . 2.923 2.871 2.581 3.006 0.083 6 0 "[ . 1 . 2]" 1
960 1 57 VAL HA 1 58 ASP H 3.214 . 4.505 3.382 3.329 3.427 . 0 0 "[ . 1 . 2]" 1
961 1 72 MET H 1 72 MET ME 2.631 . 3.496 3.526 3.228 3.746 0.250 4 0 "[ . 1 . 2]" 1
962 1 72 MET H 1 72 MET HB2 2.885 . 3.925 3.657 2.692 3.917 . 0 0 "[ . 1 . 2]" 1
963 1 57 VAL QG 1 58 ASP H 2.794 . 3.770 2.715 2.506 2.951 . 0 0 "[ . 1 . 2]" 1
964 1 56 ASP QB 1 59 GLU H 2.689 . 3.593 3.230 2.574 3.558 . 0 0 "[ . 1 . 2]" 1
965 1 59 GLU H 1 59 GLU HB2 2.295 . 2.954 2.578 2.310 3.753 0.799 10 2 "[ . -+ . 2]" 1
966 1 57 VAL HA 1 59 GLU H 3.351 . 4.755 4.142 3.811 4.646 . 0 0 "[ . 1 . 2]" 1
967 1 58 ASP H 1 60 LEU H 3.237 . 4.547 3.514 3.124 3.952 . 0 0 "[ . 1 . 2]" 1
968 1 59 GLU HA 1 60 LEU H 3.238 . 4.548 3.477 3.385 3.532 . 0 0 "[ . 1 . 2]" 1
969 1 56 ASP QB 1 60 LEU H 3.689 . 5.390 4.217 3.490 4.667 . 0 0 "[ . 1 . 2]" 1
970 1 59 GLU HB2 1 60 LEU H 2.562 . 3.383 3.078 2.624 4.216 0.833 9 3 "[ . +- . * 2]" 1
971 1 60 LEU H 1 60 LEU MD1 2.888 . 3.930 3.741 3.472 4.366 0.436 6 0 "[ . 1 . 2]" 1
972 1 60 LEU H 1 61 GLY H 2.814 . 3.804 3.241 2.974 3.458 . 0 0 "[ . 1 . 2]" 1
973 1 61 GLY H 1 62 ASP HA 3.530 . 5.088 5.112 5.071 5.143 0.055 5 0 "[ . 1 . 2]" 1
974 1 60 LEU QB 1 61 GLY H 3.185 . 4.453 3.893 3.859 3.914 . 0 0 "[ . 1 . 2]" 1
975 1 61 GLY H 1 63 VAL QG 3.445 . 4.929 3.990 3.851 4.694 . 0 0 "[ . 1 . 2]" 1
976 1 61 GLY H 1 62 ASP H 3.004 . 4.132 2.481 2.427 2.520 . 0 0 "[ . 1 . 2]" 1
977 1 62 ASP H 1 63 VAL H 2.731 . 3.663 2.672 2.576 2.766 . 0 0 "[ . 1 . 2]" 1
978 1 61 GLY QA 1 62 ASP H 3.206 . 4.491 2.716 2.653 2.770 . 0 0 "[ . 1 . 2]" 1
979 1 62 ASP H 1 62 ASP HB3 2.835 . 3.840 2.967 2.468 3.614 . 0 0 "[ . 1 . 2]" 1
980 1 60 LEU MD1 1 62 ASP H 3.612 . 5.243 4.751 4.522 6.185 0.942 6 1 "[ .+ 1 . 2]" 1
981 1 61 GLY H 1 63 VAL H 3.150 . 4.390 4.146 3.865 4.222 . 0 0 "[ . 1 . 2]" 1
982 1 63 VAL H 1 64 ALA HA 3.595 . 5.210 5.242 5.169 5.269 0.059 14 0 "[ . 1 . 2]" 1
983 1 62 ASP HB3 1 63 VAL H 3.133 . 4.360 3.296 2.482 3.954 . 0 0 "[ . 1 . 2]" 1
984 1 63 VAL H 1 63 VAL HB 2.306 . 2.971 2.685 2.510 2.768 . 0 0 "[ . 1 . 2]" 1
985 1 63 VAL H 1 63 VAL QG 2.220 . 2.836 1.949 1.850 2.123 0.022 2 0 "[ . 1 . 2]" 1
986 1 63 VAL HA 1 64 ALA H 3.192 . 4.465 3.523 3.511 3.542 . 0 0 "[ . 1 . 2]" 1
987 1 65 GLN H 1 66 LYS H 2.341 . 3.026 2.497 2.404 2.683 . 0 0 "[ . 1 . 2]" 1
988 1 64 ALA H 1 65 GLN H 2.348 . 3.037 2.737 2.675 2.824 . 0 0 "[ . 1 . 2]" 1
989 1 46 GLN H 1 46 GLN HA 2.411 . 3.138 2.908 2.842 2.942 . 0 0 "[ . 1 . 2]" 1
990 1 64 ALA HA 1 65 GLN H 2.950 . 4.038 3.525 3.495 3.558 . 0 0 "[ . 1 . 2]" 1
991 1 65 GLN H 1 65 GLN QG 2.706 . 3.621 2.318 2.202 2.460 . 0 0 "[ . 1 . 2]" 1
992 1 65 GLN H 1 66 LYS QB 3.180 . 4.444 4.397 4.324 4.435 . 0 0 "[ . 1 . 2]" 1
993 1 66 LYS H 1 68 GLU H 2.854 . 3.872 3.892 3.807 3.970 0.098 9 0 "[ . 1 . 2]" 1
994 1 85 ALA H 1 86 LYS H 3.261 . 4.590 4.357 4.329 4.398 . 0 0 "[ . 1 . 2]" 1
995 1 66 LYS H 1 67 ASN H 2.408 . 3.133 2.611 2.428 2.700 . 0 0 "[ . 1 . 2]" 1
996 1 64 ALA HA 1 66 LYS H 3.267 . 4.601 4.357 4.172 4.521 . 0 0 "[ . 1 . 2]" 1
997 1 65 GLN HB2 1 66 LYS H 2.307 . 2.972 2.783 2.591 2.963 . 0 0 "[ . 1 . 2]" 1
998 1 66 LYS H 1 66 LYS QG 2.512 . 3.301 2.351 1.919 3.299 . 0 0 "[ . 1 . 2]" 1
999 1 65 GLN H 1 67 ASN H 3.340 . 4.734 4.005 3.878 4.173 . 0 0 "[ . 1 . 2]" 1
1000 1 25 PHE QE 1 67 ASN H 3.330 . 4.716 4.784 4.697 4.878 0.162 19 0 "[ . 1 . 2]" 1
1001 1 67 ASN H 1 67 ASN HA 2.658 . 3.541 2.918 2.905 2.933 . 0 0 "[ . 1 . 2]" 1
1002 1 64 ALA HA 1 67 ASN H 2.912 . 3.972 3.554 3.397 3.699 . 0 0 "[ . 1 . 2]" 1
1003 1 63 VAL HA 1 67 ASN H 3.616 . 5.251 4.361 4.226 4.606 . 0 0 "[ . 1 . 2]" 1
1004 1 67 ASN H 1 67 ASN HB3 2.690 . 3.594 3.626 3.604 3.644 0.050 13 0 "[ . 1 . 2]" 1
1005 1 67 ASN H 1 67 ASN HB2 2.316 . 2.987 2.407 2.366 2.445 . 0 0 "[ . 1 . 2]" 1
1006 1 66 LYS QB 1 67 ASN H 2.663 . 3.549 2.695 2.334 3.491 . 0 0 "[ . 1 . 2]" 1
1007 1 66 LYS QG 1 67 ASN H 3.040 . 4.195 3.696 2.507 4.013 . 0 0 "[ . 1 . 2]" 1
1008 1 67 ASN H 1 68 GLU H 2.299 . 2.960 2.466 2.374 2.598 . 0 0 "[ . 1 . 2]" 1
1009 1 67 ASN HA 1 68 GLU H 2.694 . 3.601 3.122 2.970 3.185 . 0 0 "[ . 1 . 2]" 1
1010 1 65 GLN HA 1 68 GLU H 2.685 . 3.586 3.376 3.175 3.594 0.008 8 0 "[ . 1 . 2]" 1
1011 1 67 ASN HB3 1 68 GLU H 3.320 . 4.698 4.322 4.224 4.410 . 0 0 "[ . 1 . 2]" 1
1012 1 69 VAL H 1 69 VAL MG1 3.000 . 4.125 3.754 3.715 3.796 . 0 0 "[ . 1 . 2]" 1
1013 1 69 VAL H 1 74 THR MG 3.632 . 5.281 5.122 4.236 5.363 0.082 16 0 "[ . 1 . 2]" 1
1014 1 69 VAL H 1 69 VAL HB 2.272 . 2.917 2.426 2.334 2.510 . 0 0 "[ . 1 . 2]" 1
1015 1 67 ASN HB2 1 69 VAL H 2.888 . 3.931 3.836 3.591 3.978 0.047 10 0 "[ . 1 . 2]" 1
1016 1 68 GLU HA 1 69 VAL H 2.385 . 3.096 2.706 2.589 2.811 . 0 0 "[ . 1 . 2]" 1
1017 1 67 ASN H 1 69 VAL H 3.256 . 4.581 3.739 3.448 3.984 . 0 0 "[ . 1 . 2]" 1
1018 1 69 VAL MG1 1 70 SER H 3.497 . 5.026 2.957 2.715 3.160 . 0 0 "[ . 1 . 2]" 1
1019 1 71 ALA H 1 71 ALA MB 2.631 . 3.496 2.461 2.246 2.779 . 0 0 "[ . 1 . 2]" 1
1020 1 27 ALA MB 1 58 ASP H 3.516 . 5.061 4.003 2.456 4.479 . 0 0 "[ . 1 . 2]" 1
1021 1 25 PHE HB2 1 74 THR H 3.049 . 4.211 2.816 2.410 3.926 . 0 0 "[ . 1 . 2]" 1
1022 1 25 PHE H 1 74 THR H 3.168 . 4.423 2.754 2.355 3.528 . 0 0 "[ . 1 . 2]" 1
1023 1 75 LEU H 1 87 VAL H 2.952 . 4.041 3.921 3.629 4.088 0.047 12 0 "[ . 1 . 2]" 1
1024 1 75 LEU H 1 88 VAL HA 3.360 . 4.771 3.170 2.815 3.681 . 0 0 "[ . 1 . 2]" 1
1025 1 75 LEU H 1 87 VAL HB 3.210 . 4.498 3.456 3.098 4.713 0.215 4 0 "[ . 1 . 2]" 1
1026 1 75 LEU H 1 75 LEU QB 2.552 . 3.366 2.267 2.209 2.608 . 0 0 "[ . 1 . 2]" 1
1027 1 23 VAL H 1 76 LEU H 2.718 . 3.641 3.567 3.046 3.687 0.046 5 0 "[ . 1 . 2]" 1
1028 1 76 LEU HB2 1 77 LEU H 3.210 . 4.498 4.227 4.120 4.279 . 0 0 "[ . 1 . 2]" 1
1029 1 77 LEU H 1 77 LEU HG 2.722 . 3.648 1.956 1.902 2.200 . 0 0 "[ . 1 . 2]" 1
1030 1 77 LEU H 1 85 ALA HA 3.607 . 5.233 5.163 4.917 5.261 0.028 16 0 "[ . 1 . 2]" 1
1031 1 21 VAL H 1 78 PHE H 2.775 . 3.737 3.026 2.687 3.506 . 0 0 "[ . 1 . 2]" 1
1032 1 78 PHE H 1 78 PHE QD 2.752 . 3.699 2.933 2.715 3.360 . 0 0 "[ . 1 . 2]" 1
1033 1 22 VAL HA 1 78 PHE H 3.204 . 4.487 3.343 2.951 4.118 . 0 0 "[ . 1 . 2]" 1
1034 1 78 PHE H 1 78 PHE HB2 2.512 . 3.301 2.365 2.299 2.431 . 0 0 "[ . 1 . 2]" 1
1035 1 21 VAL HB 1 78 PHE H 2.990 . 4.107 3.367 3.053 3.969 . 0 0 "[ . 1 . 2]" 1
1036 1 77 LEU HB2 1 78 PHE H 2.791 . 3.765 3.556 3.357 3.813 0.048 4 0 "[ . 1 . 2]" 1
1037 1 20 LEU QD 1 78 PHE H 2.804 . 3.787 3.445 3.221 3.673 . 0 0 "[ . 1 . 2]" 1
1038 1 78 PHE H 1 84 VAL QG 3.068 . 4.244 3.830 3.418 4.027 . 0 0 "[ . 1 . 2]" 1
1039 1 78 PHE H 1 79 LYS H 3.547 . 5.119 4.501 4.468 4.529 . 0 0 "[ . 1 . 2]" 1
1040 1 79 LYS H 1 84 VAL H 3.076 . 4.259 3.910 3.561 4.191 . 0 0 "[ . 1 . 2]" 1
1041 1 78 PHE QD 1 79 LYS H 3.289 . 4.641 3.371 2.920 3.673 . 0 0 "[ . 1 . 2]" 1
1042 1 79 LYS H 1 83 GLU HA 3.323 . 4.704 2.333 2.224 2.454 . 0 0 "[ . 1 . 2]" 1
1043 1 79 LYS H 1 79 LYS HA 2.719 . 3.643 2.920 2.908 2.931 . 0 0 "[ . 1 . 2]" 1
1044 1 78 PHE HB3 1 79 LYS H 2.627 . 3.490 2.679 2.519 2.857 . 0 0 "[ . 1 . 2]" 1
1045 1 79 LYS H 1 79 LYS QB 2.589 . 3.427 2.558 2.499 2.629 . 0 0 "[ . 1 . 2]" 1
1046 1 79 LYS H 1 79 LYS HG2 3.412 . 4.867 4.427 4.052 4.866 . 0 0 "[ . 1 . 2]" 1
1047 1 16 ALA HA 1 80 ASN H 3.577 . 5.176 4.541 4.005 4.815 . 0 0 "[ . 1 . 2]" 1
1048 1 80 ASN H 1 80 ASN HB2 3.221 . 4.518 3.914 3.567 4.020 . 0 0 "[ . 1 . 2]" 1
1049 1 80 ASN H 1 80 ASN HB3 3.038 . 4.191 3.399 2.996 4.069 . 0 0 "[ . 1 . 2]" 1
1050 1 79 LYS QB 1 80 ASN H 3.034 . 4.185 3.775 3.252 3.887 . 0 0 "[ . 1 . 2]" 1
1051 1 79 LYS HG2 1 80 ASN H 3.156 . 4.401 3.742 2.938 4.884 0.483 10 0 "[ . 1 . 2]" 1
1052 1 16 ALA MB 1 81 GLY H 3.450 . 4.938 4.273 3.958 4.556 . 0 0 "[ . 1 . 2]" 1
1053 1 15 ILE HB 1 81 GLY H 3.601 . 5.222 3.923 3.638 4.153 . 0 0 "[ . 1 . 2]" 1
1054 1 81 GLY H 1 81 GLY HA3 2.282 . 2.933 2.835 2.811 2.859 . 0 0 "[ . 1 . 2]" 1
1055 1 16 ALA HA 1 81 GLY H 2.308 . 2.974 2.650 2.260 2.992 0.018 12 0 "[ . 1 . 2]" 1
1056 1 17 GLN H 1 81 GLY H 3.668 . 5.349 4.374 4.047 4.682 . 0 0 "[ . 1 . 2]" 1
1057 1 81 GLY H 1 82 LYS H 2.598 . 3.442 2.690 2.602 2.741 . 0 0 "[ . 1 . 2]" 1
1058 1 80 ASN H 1 81 GLY H 2.506 . 3.291 2.917 2.622 3.127 . 0 0 "[ . 1 . 2]" 1
1059 1 79 LYS H 1 82 LYS H 2.326 . 3.002 3.120 3.072 3.162 0.160 10 0 "[ . 1 . 2]" 1
1060 1 78 PHE QD 1 82 LYS H 3.328 . 4.712 3.960 3.471 4.601 . 0 0 "[ . 1 . 2]" 1
1061 1 78 PHE HA 1 82 LYS H 3.524 . 5.076 5.067 4.981 5.122 0.046 9 0 "[ . 1 . 2]" 1
1062 1 81 GLY HA2 1 82 LYS H 2.878 . 3.913 3.179 3.089 3.270 . 0 0 "[ . 1 . 2]" 1
1063 1 81 GLY HA3 1 82 LYS H 2.947 . 4.033 3.395 3.348 3.455 . 0 0 "[ . 1 . 2]" 1
1064 1 78 PHE HB3 1 82 LYS H 3.235 . 4.543 4.323 4.161 4.578 0.035 13 0 "[ . 1 . 2]" 1
1065 1 82 LYS H 1 82 LYS HB2 2.237 . 2.863 2.945 2.384 3.694 0.831 13 8 "[* *.** *- + * 2]" 1
1066 1 82 LYS H 1 82 LYS HG3 2.673 . 3.566 3.796 2.866 4.536 0.970 7 7 "[ .*+*-1* * *]" 1
1067 1 78 PHE HA 1 83 GLU H 3.648 . 5.312 3.497 3.337 4.017 . 0 0 "[ . 1 . 2]" 1
1068 1 78 PHE QD 1 83 GLU H 3.200 . 4.480 2.613 2.070 3.520 . 0 0 "[ . 1 . 2]" 1
1069 1 78 PHE QE 1 83 GLU H 3.457 . 4.950 4.377 3.448 5.005 0.055 5 0 "[ . 1 . 2]" 1
1070 1 82 LYS H 1 83 GLU H 3.519 . 5.067 2.103 1.884 2.610 0.087 7 0 "[ . 1 . 2]" 1
1071 1 83 GLU H 1 84 VAL H 3.179 . 4.442 4.466 4.285 4.523 0.081 9 0 "[ . 1 . 2]" 1
1072 1 83 GLU HA 1 84 VAL H 2.294 . 2.952 2.531 2.450 2.631 . 0 0 "[ . 1 . 2]" 1
1073 1 84 VAL H 1 84 VAL HA 2.880 . 3.917 2.886 2.836 2.917 . 0 0 "[ . 1 . 2]" 1
1074 1 84 VAL H 1 84 VAL HB 3.345 . 4.744 3.086 2.975 3.187 . 0 0 "[ . 1 . 2]" 1
1075 1 78 PHE H 1 84 VAL H 3.674 . 5.361 4.963 4.719 5.209 . 0 0 "[ . 1 . 2]" 1
1076 1 85 ALA H 1 85 ALA MB 2.328 . 3.006 2.768 2.713 2.816 . 0 0 "[ . 1 . 2]" 1
1077 1 77 LEU H 1 85 ALA H 2.692 . 3.598 3.589 3.461 3.643 0.045 11 0 "[ . 1 . 2]" 1
1078 1 84 VAL H 1 85 ALA H 2.111 . 2.668 1.702 1.609 1.756 . 0 0 "[ . 1 . 2]" 1
1079 1 86 LYS H 1 86 LYS HA 2.614 . 3.468 2.900 2.888 2.915 . 0 0 "[ . 1 . 2]" 1
1080 1 86 LYS H 1 86 LYS HB3 2.311 . 2.979 2.786 2.703 2.930 . 0 0 "[ . 1 . 2]" 1
1081 1 87 VAL H 1 87 VAL HB 2.587 . 3.424 2.854 2.758 3.119 . 0 0 "[ . 1 . 2]" 1
1082 1 85 ALA MB 1 87 VAL H 3.284 . 4.632 4.448 4.199 4.608 . 0 0 "[ . 1 . 2]" 1
1083 1 86 LYS QG 1 87 VAL H 2.546 . 3.356 3.088 2.884 3.400 0.044 12 0 "[ . 1 . 2]" 1
1084 1 87 VAL H 1 87 VAL HA 2.864 . 3.889 2.950 2.936 2.957 . 0 0 "[ . 1 . 2]" 1
1085 1 86 LYS H 1 87 VAL H 3.528 . 5.084 4.049 3.912 4.162 . 0 0 "[ . 1 . 2]" 1
1086 1 88 VAL H 1 88 VAL HA 2.998 . 4.122 2.921 2.881 2.949 . 0 0 "[ . 1 . 2]" 1
1087 1 88 VAL H 1 91 ASN HB3 3.551 . 5.127 5.033 4.686 5.194 0.067 8 0 "[ . 1 . 2]" 1
1088 1 71 ALA MB 1 89 GLY H 3.549 . 5.124 4.149 3.274 4.876 . 0 0 "[ . 1 . 2]" 1
1089 1 88 VAL HB 1 89 GLY H 3.352 . 4.756 4.407 4.040 4.570 . 0 0 "[ . 1 . 2]" 1
1090 1 89 GLY H 1 89 GLY HA2 2.556 . 3.373 2.696 2.636 2.752 . 0 0 "[ . 1 . 2]" 1
1091 1 75 LEU H 1 89 GLY H 3.682 . 5.377 3.642 3.203 4.310 . 0 0 "[ . 1 . 2]" 1
1092 1 91 ASN H 1 91 ASN HB3 2.590 . 3.428 3.156 3.076 3.288 . 0 0 "[ . 1 . 2]" 1
1093 1 94 ALA H 1 95 ILE H 2.326 . 3.002 2.577 2.538 2.650 . 0 0 "[ . 1 . 2]" 1
1094 1 91 ASN HB2 1 94 ALA H 3.161 . 4.410 2.855 2.660 3.067 . 0 0 "[ . 1 . 2]" 1
1095 1 95 ILE H 1 95 ILE HB 2.213 . 2.825 2.481 2.444 2.531 . 0 0 "[ . 1 . 2]" 1
1096 1 95 ILE H 1 96 LYS H 2.540 . 3.347 2.596 2.519 2.667 . 0 0 "[ . 1 . 2]" 1
1097 1 95 ILE MG 1 96 LYS H 2.735 . 3.670 2.075 2.018 2.111 . 0 0 "[ . 1 . 2]" 1
1098 1 96 LYS H 1 96 LYS HG2 3.053 . 4.218 3.254 2.319 4.589 0.371 9 0 "[ . 1 . 2]" 1
1099 1 96 LYS H 1 96 LYS QB 2.117 . 2.677 2.260 2.118 2.446 . 0 0 "[ . 1 . 2]" 1
1100 1 95 ILE HA 1 96 LYS H 3.187 . 4.456 3.488 3.472 3.503 . 0 0 "[ . 1 . 2]" 1
1101 1 94 ALA H 1 96 LYS H 2.977 . 4.085 4.133 4.070 4.183 0.098 20 0 "[ . 1 . 2]" 1
1102 1 96 LYS H 1 97 GLN H 2.448 . 3.197 2.684 2.602 2.821 . 0 0 "[ . 1 . 2]" 1
1103 1 97 GLN H 1 98 ALA H 2.387 . 3.099 2.881 2.801 3.046 . 0 0 "[ . 1 . 2]" 1
1104 1 94 ALA HA 1 97 GLN H 2.732 . 3.665 2.753 2.709 2.802 . 0 0 "[ . 1 . 2]" 1
1105 1 97 GLN H 1 97 GLN HA 2.418 . 3.149 2.773 2.707 2.796 . 0 0 "[ . 1 . 2]" 1
1106 1 96 LYS HA 1 97 GLN H 3.112 . 4.323 3.506 3.485 3.563 . 0 0 "[ . 1 . 2]" 1
1107 1 97 GLN H 1 97 GLN HB2 2.105 . 2.659 2.541 2.357 2.941 0.282 10 0 "[ . 1 . 2]" 1
1108 1 96 LYS QB 1 97 GLN H 2.301 . 2.963 2.726 2.572 2.805 . 0 0 "[ . 1 . 2]" 1
1109 1 95 ILE MG 1 97 GLN H 3.310 . 4.679 4.226 4.159 4.379 . 0 0 "[ . 1 . 2]" 1
1110 1 96 LYS H 1 98 ALA H 3.181 . 4.446 4.429 4.324 4.490 0.044 1 0 "[ . 1 . 2]" 1
1111 1 39 MET HA 1 42 LYS H 2.447 . 3.196 3.335 3.280 3.419 0.223 17 0 "[ . 1 . 2]" 1
1112 1 98 ALA H 1 99 ILE HA 3.620 . 5.258 5.034 4.980 5.138 . 0 0 "[ . 1 . 2]" 1
1113 1 41 GLU QB 1 42 LYS H 2.429 . 3.166 2.437 2.326 2.553 . 0 0 "[ . 1 . 2]" 1
1114 1 99 ILE H 1 99 ILE MD 3.023 . 4.165 4.149 4.035 4.289 0.124 12 0 "[ . 1 . 2]" 1
1115 1 99 ILE H 1 99 ILE MG 2.558 . 3.376 2.973 2.811 3.078 . 0 0 "[ . 1 . 2]" 1
1116 1 99 ILE H 1 99 ILE HB 2.182 . 2.777 2.145 2.094 2.206 . 0 0 "[ . 1 . 2]" 1
1117 1 9 SER HA 1 12 ASP H 2.944 . 4.028 3.364 3.228 3.628 . 0 0 "[ . 1 . 2]" 1
1118 1 99 ILE H 1 100 ALA H 2.485 . 3.257 2.546 2.437 2.747 . 0 0 "[ . 1 . 2]" 1
1119 1 100 ALA H 1 100 ALA HA 2.509 . 3.296 2.890 2.885 2.895 . 0 0 "[ . 1 . 2]" 1
1120 1 96 LYS QD 1 100 ALA H 3.201 . 4.481 3.878 3.259 4.485 0.004 5 0 "[ . 1 . 2]" 1
1121 1 99 ILE MG 1 100 ALA H 3.168 . 4.423 2.119 1.981 2.274 . 0 0 "[ . 1 . 2]" 1
1122 1 99 ILE MD 1 100 ALA H 2.838 . 3.844 4.018 3.918 4.094 0.250 3 0 "[ . 1 . 2]" 1
1123 1 100 ALA H 1 101 ALA H 2.535 . 3.338 2.306 2.253 2.345 . 0 0 "[ . 1 . 2]" 1
1124 1 101 ALA H 1 102 ASN H 2.454 . 3.207 2.581 2.464 2.655 . 0 0 "[ . 1 . 2]" 1
1125 1 100 ALA HA 1 101 ALA H 3.115 . 4.328 3.519 3.490 3.545 . 0 0 "[ . 1 . 2]" 1
1126 1 101 ALA MB 1 102 ASN H 2.603 . 3.450 2.653 2.540 2.796 . 0 0 "[ . 1 . 2]" 1
1127 1 102 ASN H 1 102 ASN HB2 2.491 . 3.267 2.528 2.403 2.730 . 0 0 "[ . 1 . 2]" 1
1128 1 102 ASN H 1 102 ASN HB3 2.829 . 3.829 3.699 3.636 3.800 . 0 0 "[ . 1 . 2]" 1
1129 1 99 ILE HA 1 102 ASN H 3.255 . 4.579 4.075 3.783 4.384 . 0 0 "[ . 1 . 2]" 1
1130 1 100 ALA HA 1 102 ASN H 3.434 . 4.908 4.402 4.273 4.541 . 0 0 "[ . 1 . 2]" 1
1131 1 102 ASN H 1 102 ASN HA 2.746 . 3.688 2.935 2.911 2.964 . 0 0 "[ . 1 . 2]" 1
1132 1 100 ALA H 1 102 ASN H 2.743 . 3.684 3.867 3.825 3.894 0.210 4 0 "[ . 1 . 2]" 1
1133 1 102 ASN H 1 103 ALA H 2.078 . 2.618 2.648 2.530 2.882 0.264 11 0 "[ . 1 . 2]" 1
1134 1 102 ASN HA 1 103 ALA H 2.910 . 3.968 3.568 3.507 3.590 . 0 0 "[ . 1 . 2]" 1
1135 1 103 ALA H 1 103 ALA HA 2.470 . 3.233 2.751 2.299 2.838 . 0 0 "[ . 1 . 2]" 1
1136 1 99 ILE HA 1 103 ALA H 3.454 . 4.945 3.338 3.032 3.765 . 0 0 "[ . 1 . 2]" 1
1137 1 102 ASN HB3 1 103 ALA H 3.279 . 4.623 3.187 2.777 3.373 . 0 0 "[ . 1 . 2]" 1
1138 1 102 ASN HB2 1 103 ALA H 3.023 . 4.165 2.194 1.838 2.466 0.043 11 0 "[ . 1 . 2]" 1
1139 1 84 VAL QG 1 103 ALA H 2.799 . 3.778 3.755 3.577 3.860 0.082 16 0 "[ . 1 . 2]" 1
1140 1 99 ILE MD 1 103 ALA H 3.591 . 5.203 3.749 3.180 4.320 . 0 0 "[ . 1 . 2]" 1
1141 1 28 THR H 1 29 TRP H 3.166 . 4.419 2.552 2.453 2.796 . 0 0 "[ . 1 . 2]" 1
1142 1 23 VAL H 1 78 PHE H 3.594 . 5.208 4.218 3.652 4.525 . 0 0 "[ . 1 . 2]" 1
1143 1 33 CYS H 1 34 LYS HB2 3.669 . 5.352 5.026 4.797 5.191 . 0 0 "[ . 1 . 2]" 1
1144 1 47 TYR QD 1 49 GLN H 3.701 . 5.413 5.298 4.867 5.598 0.185 9 0 "[ . 1 . 2]" 1
1145 1 7 THR H 1 11 PHE H 3.722 . 5.453 4.265 4.149 4.352 . 0 0 "[ . 1 . 2]" 1
1146 1 67 ASN H 1 67 ASN HD22 2.964 . 4.062 3.813 3.671 4.076 0.014 2 0 "[ . 1 . 2]" 1
1147 1 11 PHE QE 1 67 ASN HD22 2.709 . 3.626 2.332 1.942 2.745 . 0 0 "[ . 1 . 2]" 1
1148 1 4 GLN HE21 1 4 GLN QG 3.185 . 4.453 2.676 2.191 2.833 . 0 0 "[ . 1 . 2]" 1
1149 1 4 GLN HE22 1 4 GLN QG 3.377 . 4.803 3.446 3.285 3.499 . 0 0 "[ . 1 . 2]" 1
1150 1 4 GLN HE22 1 6 LYS HB3 3.086 . 4.277 3.675 2.942 4.408 0.131 3 0 "[ . 1 . 2]" 1
1151 1 4 GLN HE21 1 6 LYS HB3 2.897 . 3.946 4.168 3.397 4.390 0.444 19 0 "[ . 1 . 2]" 1
1152 1 66 LYS QG 1 67 ASN HD22 3.580 . 5.182 4.443 2.456 5.005 . 0 0 "[ . 1 . 2]" 1
1153 1 66 LYS QB 1 67 ASN HD22 3.442 . 4.923 3.336 2.871 4.667 . 0 0 "[ . 1 . 2]" 1
1154 1 67 ASN HB2 1 67 ASN HD22 3.033 . 4.183 3.503 3.469 3.518 . 0 0 "[ . 1 . 2]" 1
1155 1 67 ASN HB3 1 67 ASN HD22 3.508 . 5.046 4.065 4.037 4.079 . 0 0 "[ . 1 . 2]" 1
1156 1 67 ASN H 1 67 ASN HD21 2.686 . 3.588 2.372 2.227 2.629 . 0 0 "[ . 1 . 2]" 1
1157 1 67 ASN HB2 1 67 ASN HD21 2.709 . 3.626 2.276 2.229 2.300 . 0 0 "[ . 1 . 2]" 1
1158 1 66 LYS QB 1 67 ASN HD21 3.142 . 4.376 2.829 2.387 4.079 . 0 0 "[ . 1 . 2]" 1
1159 1 66 LYS QG 1 67 ASN HD21 3.381 . 4.810 3.963 2.156 4.442 . 0 0 "[ . 1 . 2]" 1
1160 1 80 ASN HB2 1 80 ASN QD 3.278 . 3.943 2.621 2.132 3.266 . 0 0 "[ . 1 . 2]" 1
1161 1 80 ASN HB3 1 80 ASN QD 2.785 . 3.754 2.894 2.164 3.348 . 0 0 "[ . 1 . 2]" 1
1162 1 79 LYS QB 1 80 ASN QD 3.245 . 4.561 3.247 2.268 3.495 . 0 0 "[ . 1 . 2]" 1
1163 1 80 ASN QD 1 82 LYS HG3 3.646 . 5.308 4.080 2.463 5.754 0.446 6 0 "[ . 1 . 2]" 1
1164 1 20 LEU QB 1 49 GLN HE21 3.034 . 4.185 3.372 2.605 3.961 . 0 0 "[ . 1 . 2]" 1
1165 1 49 GLN HB3 1 49 GLN HE21 2.936 . 4.013 3.850 2.839 4.349 0.336 15 0 "[ . 1 . 2]" 1
1166 1 49 GLN HE21 1 49 GLN HG3 2.612 . 3.465 2.755 2.193 3.493 0.028 11 0 "[ . 1 . 2]" 1
1167 1 20 LEU QB 1 49 GLN HE22 3.304 . 4.669 4.033 2.885 4.559 . 0 0 "[ . 1 . 2]" 1
1168 1 91 ASN HD22 1 98 ALA MB 3.031 . 4.179 4.253 4.200 4.338 0.159 19 0 "[ . 1 . 2]" 1
1169 1 91 ASN HB3 1 91 ASN HD22 2.826 . 3.825 3.824 3.792 3.850 0.025 17 0 "[ . 1 . 2]" 1
1170 1 91 ASN HB2 1 91 ASN HD22 3.522 . 5.073 3.438 3.421 3.459 . 0 0 "[ . 1 . 2]" 1
1171 1 91 ASN HB3 1 91 ASN HD21 2.446 . 3.194 3.013 2.948 3.073 . 0 0 "[ . 1 . 2]" 1
1172 1 91 ASN HD21 1 98 ALA MB 2.952 . 4.041 4.060 3.975 4.108 0.067 4 0 "[ . 1 . 2]" 1
1173 1 101 ALA MB 1 102 ASN HD22 2.675 . 3.569 3.284 2.715 3.695 0.126 6 0 "[ . 1 . 2]" 1
1174 1 102 ASN HB2 1 102 ASN HD22 2.649 . 3.526 3.451 3.441 3.470 . 0 0 "[ . 1 . 2]" 1
1175 1 102 ASN HB3 1 102 ASN HD22 3.007 . 4.137 3.996 3.821 4.036 . 0 0 "[ . 1 . 2]" 1
1176 1 98 ALA HA 1 102 ASN HD21 3.218 . 4.512 2.222 1.885 2.837 0.039 19 0 "[ . 1 . 2]" 1
1177 1 102 ASN HB3 1 102 ASN HD21 3.267 . 4.602 3.346 3.001 3.426 . 0 0 "[ . 1 . 2]" 1
1178 1 85 ALA MB 1 102 ASN HD21 2.572 . 3.399 2.436 1.742 2.711 0.003 7 0 "[ . 1 . 2]" 1
1179 1 20 LEU QD 1 102 ASN HD21 3.050 . 4.213 4.166 4.031 4.212 . 0 0 "[ . 1 . 2]" 1
1180 1 46 GLN HE22 1 46 GLN QG 2.829 . 3.829 3.314 3.209 3.482 . 0 0 "[ . 1 . 2]" 1
1181 1 5 PHE HA 1 5 PHE QD 2.421 . 3.154 1.967 1.903 2.037 . 0 0 "[ . 1 . 2]" 1
1182 1 47 TYR HB2 1 47 TYR QD 2.266 . 2.908 2.462 2.339 2.701 . 0 0 "[ . 1 . 2]" 1
1183 1 53 TYR HB3 1 53 TYR QD 2.315 . 2.985 2.520 2.315 2.643 . 0 0 "[ . 1 . 2]" 1
1184 1 5 PHE HB3 1 5 PHE QD 2.479 . 3.247 2.752 2.742 2.758 . 0 0 "[ . 1 . 2]" 1
1185 1 5 PHE QE 1 11 PHE HB2 2.564 . 3.386 3.498 3.436 3.528 0.142 7 0 "[ . 1 . 2]" 1
1186 1 11 PHE HB3 1 11 PHE QD 2.302 . 2.964 2.367 2.316 2.392 . 0 0 "[ . 1 . 2]" 1
1187 1 25 PHE HB2 1 25 PHE QD 2.456 . 3.210 2.338 2.263 2.467 . 0 0 "[ . 1 . 2]" 1
1188 1 44 SER QB 1 52 PHE QE 2.351 . 3.042 3.103 2.738 3.362 0.320 1 0 "[ . 1 . 2]" 1
1189 1 25 PHE HB3 1 25 PHE QD 2.531 . 3.332 2.483 2.329 2.689 . 0 0 "[ . 1 . 2]" 1
1190 1 24 ALA MB 1 26 TYR QE 2.267 . 2.909 2.443 1.879 3.136 0.227 19 0 "[ . 1 . 2]" 1
1191 1 53 TYR HB2 1 53 TYR QD 2.455 . 3.208 2.329 2.278 2.508 . 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 61
_Distance_constraint_stats_list.Viol_count 356
_Distance_constraint_stats_list.Viol_total 848.236
_Distance_constraint_stats_list.Viol_max 0.940
_Distance_constraint_stats_list.Viol_rms 0.0890
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0348
_Distance_constraint_stats_list.Viol_average_violations_only 0.1191
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.081 0.081 7 0 "[ . 1 . 2]"
1 7 THR 0.265 0.050 11 0 "[ . 1 . 2]"
1 10 GLU 0.312 0.058 18 0 "[ . 1 . 2]"
1 11 PHE 0.265 0.050 11 0 "[ . 1 . 2]"
1 12 ASP 1.065 0.128 20 0 "[ . 1 . 2]"
1 14 ALA 0.312 0.058 18 0 "[ . 1 . 2]"
1 16 ALA 1.065 0.128 20 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.014 0.014 20 0 "[ . 1 . 2]"
1 25 PHE 0.026 0.026 19 0 "[ . 1 . 2]"
1 31 GLY 3.007 0.203 10 0 "[ . 1 . 2]"
1 32 PRO 0.091 0.025 13 0 "[ . 1 . 2]"
1 33 CYS 1.071 0.105 16 0 "[ . 1 . 2]"
1 34 LYS 10.607 0.940 10 4 "[ . + * .- *2]"
1 35 MET 11.797 0.302 1 0 "[ . 1 . 2]"
1 36 ILE 0.091 0.025 13 0 "[ . 1 . 2]"
1 37 ALA 1.387 0.105 16 0 "[ . 1 . 2]"
1 38 PRO 10.656 0.940 10 4 "[ . + * .- *2]"
1 39 MET 8.790 0.302 1 0 "[ . 1 . 2]"
1 41 GLU 4.212 0.281 20 0 "[ . 1 . 2]"
1 42 LYS 2.865 0.255 9 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 3.896 0.281 20 0 "[ . 1 . 2]"
1 46 GLN 2.817 0.255 9 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.081 0.081 7 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.745 0.125 18 0 "[ . 1 . 2]"
1 60 LEU 1.610 0.125 18 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.865 0.084 4 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.026 0.026 19 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.014 0.014 20 0 "[ . 1 . 2]"
1 77 LEU 0.458 0.075 12 0 "[ . 1 . 2]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 3.146 0.206 1 0 "[ . 1 . 2]"
1 83 GLU 3.146 0.206 1 0 "[ . 1 . 2]"
1 85 ALA 0.458 0.075 12 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 3.339 0.204 10 0 "[ . 1 . 2]"
1 97 GLN 1.395 0.128 10 0 "[ . 1 . 2]"
1 98 ALA 3.397 0.204 10 0 "[ . 1 . 2]"
1 101 ALA 1.395 0.128 10 0 "[ . 1 . 2]"
1 102 ASN 0.058 0.025 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 THR O 1 11 PHE H 1.800 . 2.300 2.292 2.137 2.350 0.050 11 0 "[ . 1 . 2]" 2
2 1 7 THR O 1 11 PHE N 2.800 2.800 3.300 3.239 3.065 3.294 . 0 0 "[ . 1 . 2]" 2
3 1 10 GLU O 1 14 ALA H 1.800 . 2.300 2.286 2.045 2.358 0.058 18 0 "[ . 1 . 2]" 2
4 1 10 GLU O 1 14 ALA N 2.800 2.800 3.300 3.161 2.986 3.247 . 0 0 "[ . 1 . 2]" 2
5 1 12 ASP O 1 16 ALA H 1.800 . 2.300 2.347 2.190 2.428 0.128 20 0 "[ . 1 . 2]" 2
6 1 12 ASP O 1 16 ALA N 2.800 2.800 3.300 3.084 2.940 3.169 . 0 0 "[ . 1 . 2]" 2
7 1 31 GLY O 1 35 MET H 1.800 . 2.300 2.407 2.279 2.503 0.203 10 0 "[ . 1 . 2]" 2
8 1 31 GLY O 1 35 MET N 2.800 2.800 3.300 3.333 3.190 3.421 0.121 7 0 "[ . 1 . 2]" 2
9 1 32 PRO O 1 36 ILE H 1.800 . 2.300 2.160 1.930 2.325 0.025 13 0 "[ . 1 . 2]" 2
10 1 32 PRO O 1 36 ILE N 2.800 2.800 3.300 3.139 2.907 3.306 0.006 13 0 "[ . 1 . 2]" 2
11 1 33 CYS O 1 37 ALA H 1.800 . 2.300 2.354 2.313 2.405 0.105 16 0 "[ . 1 . 2]" 2
12 1 33 CYS O 1 37 ALA N 2.800 2.800 3.300 3.037 2.937 3.209 . 0 0 "[ . 1 . 2]" 2
13 1 34 LYS O 1 38 PRO N 2.800 2.800 3.300 3.830 3.696 4.240 0.940 10 4 "[ . + * .- *2]" 2
14 1 35 MET O 1 39 MET H 1.800 . 2.300 2.550 2.501 2.602 0.302 1 0 "[ . 1 . 2]" 2
15 1 35 MET O 1 39 MET N 2.800 2.800 3.300 3.489 3.431 3.556 0.256 20 0 "[ . 1 . 2]" 2
16 1 37 ALA O 1 41 GLU H 1.800 . 2.300 2.269 2.107 2.370 0.070 13 0 "[ . 1 . 2]" 2
17 1 37 ALA O 1 41 GLU N 2.800 2.800 3.300 3.104 2.953 3.242 . 0 0 "[ . 1 . 2]" 2
18 1 38 PRO O 1 42 LYS H 1.800 . 2.300 2.102 1.875 2.333 0.033 7 0 "[ . 1 . 2]" 2
19 1 38 PRO O 1 42 LYS N 2.800 2.800 3.300 3.002 2.804 3.262 . 0 0 "[ . 1 . 2]" 2
20 1 39 MET O 1 43 PHE H 1.800 . 2.300 2.007 1.844 2.128 . 0 0 "[ . 1 . 2]" 2
21 1 39 MET O 1 43 PHE N 2.800 2.800 3.300 2.950 2.812 3.095 . 0 0 "[ . 1 . 2]" 2
22 1 41 GLU O 1 45 GLU H 1.800 . 2.300 2.494 2.346 2.581 0.281 20 0 "[ . 1 . 2]" 2
23 1 41 GLU O 1 45 GLU N 2.800 2.800 3.300 3.182 2.916 3.310 0.010 20 0 "[ . 1 . 2]" 2
24 1 42 LYS O 1 46 GLN H 1.800 . 2.300 2.439 2.264 2.555 0.255 9 0 "[ . 1 . 2]" 2
25 1 42 LYS O 1 46 GLN N 2.800 2.800 3.300 3.142 3.007 3.298 . 0 0 "[ . 1 . 2]" 2
26 1 56 ASP O 1 60 LEU H 1.800 . 2.300 1.858 1.740 1.954 0.060 18 0 "[ . 1 . 2]" 2
27 1 56 ASP O 1 60 LEU N 2.800 2.800 3.300 2.783 2.675 2.876 0.125 18 0 "[ . 1 . 2]" 2
28 1 60 LEU O 1 64 ALA H 1.800 . 2.300 2.331 2.170 2.384 0.084 4 0 "[ . 1 . 2]" 2
29 1 60 LEU O 1 64 ALA N 2.800 2.800 3.300 3.220 3.075 3.274 . 0 0 "[ . 1 . 2]" 2
30 1 61 GLY O 1 65 GLN H 1.800 . 2.300 2.115 1.848 2.280 . 0 0 "[ . 1 . 2]" 2
31 1 61 GLY O 1 65 GLN N 2.800 2.800 3.300 2.945 2.820 3.064 . 0 0 "[ . 1 . 2]" 2
32 1 62 ASP O 1 66 LYS H 1.800 . 2.300 2.093 1.925 2.280 . 0 0 "[ . 1 . 2]" 2
33 1 62 ASP O 1 66 LYS N 2.800 2.800 3.300 2.960 2.845 3.147 . 0 0 "[ . 1 . 2]" 2
34 1 94 ALA O 1 98 ALA H 1.800 . 2.300 2.416 2.360 2.504 0.204 10 0 "[ . 1 . 2]" 2
35 1 94 ALA O 1 98 ALA N 2.800 2.800 3.300 3.351 3.299 3.433 0.133 10 0 "[ . 1 . 2]" 2
36 1 97 GLN O 1 101 ALA H 1.800 . 2.300 2.365 2.240 2.428 0.128 10 0 "[ . 1 . 2]" 2
37 1 97 GLN O 1 101 ALA N 2.800 2.800 3.300 3.243 3.118 3.308 0.008 10 0 "[ . 1 . 2]" 2
38 1 98 ALA O 1 102 ASN H 1.800 . 2.300 2.181 2.005 2.325 0.025 6 0 "[ . 1 . 2]" 2
39 1 98 ALA O 1 102 ASN N 2.800 2.800 3.300 3.060 2.915 3.188 . 0 0 "[ . 1 . 2]" 2
40 1 3 THR N 1 52 PHE O 2.800 2.400 3.700 3.335 2.951 3.623 . 0 0 "[ . 1 . 2]" 2
41 1 3 THR H 1 52 PHE O 1.800 . 2.700 2.473 2.001 2.781 0.081 7 0 "[ . 1 . 2]" 2
42 1 75 LEU N 1 87 VAL O 2.800 2.400 3.700 2.883 2.787 3.010 . 0 0 "[ . 1 . 2]" 2
43 1 75 LEU H 1 87 VAL O 1.800 . 2.700 2.095 1.884 2.292 . 0 0 "[ . 1 . 2]" 2
44 1 77 LEU N 1 85 ALA O 2.800 2.400 3.700 3.380 3.188 3.488 . 0 0 "[ . 1 . 2]" 2
45 1 77 LEU H 1 85 ALA O 1.800 . 2.700 2.705 2.483 2.775 0.075 12 0 "[ . 1 . 2]" 2
46 1 79 LYS N 1 83 GLU O 2.800 2.400 3.700 3.419 3.285 3.534 . 0 0 "[ . 1 . 2]" 2
47 1 79 LYS H 1 83 GLU O 1.800 . 2.700 2.857 2.812 2.906 0.206 1 0 "[ . 1 . 2]" 2
48 1 25 PHE N 1 74 THR O 2.800 2.400 3.700 3.087 2.796 3.568 . 0 0 "[ . 1 . 2]" 2
49 1 25 PHE H 1 74 THR O 1.800 . 2.700 2.202 1.876 2.726 0.026 19 0 "[ . 1 . 2]" 2
50 1 23 VAL O 1 76 LEU N 2.800 2.400 3.700 3.129 2.727 3.387 . 0 0 "[ . 1 . 2]" 2
51 1 23 VAL O 1 76 LEU H 1.800 . 2.700 2.162 1.784 2.402 . 0 0 "[ . 1 . 2]" 2
52 1 23 VAL N 1 76 LEU O 2.800 2.400 3.700 3.220 2.914 3.662 . 0 0 "[ . 1 . 2]" 2
53 1 23 VAL H 1 76 LEU O 1.800 . 2.700 2.318 2.002 2.714 0.014 20 0 "[ . 1 . 2]" 2
54 1 21 VAL O 1 78 PHE N 2.800 2.400 3.700 2.704 2.579 2.986 . 0 0 "[ . 1 . 2]" 2
55 1 21 VAL O 1 78 PHE H 1.800 . 2.700 1.746 1.609 2.078 . 0 0 "[ . 1 . 2]" 2
56 1 21 VAL N 1 78 PHE O 2.800 2.400 3.700 2.965 2.808 3.103 . 0 0 "[ . 1 . 2]" 2
57 1 21 VAL H 1 78 PHE O 1.800 . 2.700 1.990 1.866 2.118 . 0 0 "[ . 1 . 2]" 2
58 1 20 LEU O 1 51 ASP N 2.800 2.400 3.700 2.981 2.723 3.236 . 0 0 "[ . 1 . 2]" 2
59 1 20 LEU O 1 51 ASP H 1.800 . 2.700 2.053 1.741 2.493 . 0 0 "[ . 1 . 2]" 2
60 1 3 THR O 1 54 LYS N 2.800 2.400 3.700 2.735 2.606 2.856 . 0 0 "[ . 1 . 2]" 2
61 1 3 THR O 1 54 LYS H 1.800 . 2.700 1.810 1.738 1.934 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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