NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606583 |
5kiz   |
30118 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kiz
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 2117
_Distance_constraint_stats_list.Viol_count 7704
_Distance_constraint_stats_list.Viol_total 15859.555
_Distance_constraint_stats_list.Viol_max 0.977
_Distance_constraint_stats_list.Viol_rms 0.0556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0187
_Distance_constraint_stats_list.Viol_average_violations_only 0.1029
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 4.072 0.256 11 0 "[ . 1 . 2]"
1 3 PHE 4.218 0.558 1 2 "[+ . - 1 . 2]"
1 4 LEU 10.767 0.558 1 2 "[+ . - 1 . 2]"
1 5 ASP 3.247 0.315 13 0 "[ . 1 . 2]"
1 6 SER 3.979 0.749 11 3 "[ . 1+ * . -2]"
1 7 LYS 26.314 0.749 11 9 "[ . ** *+ * * **-2]"
1 8 THR 24.997 0.681 7 6 "[ . +* - * ** 2]"
1 9 PHE 30.896 0.388 12 0 "[ . 1 . 2]"
1 10 LEU 23.068 0.436 8 0 "[ . 1 . 2]"
1 11 SER 2.567 0.373 6 0 "[ . 1 . 2]"
1 12 ARG 8.048 0.789 16 3 "[ - . * .+ 2]"
1 13 PHE 13.079 0.789 16 3 "[ - . * .+ 2]"
1 14 SER 5.273 0.592 2 5 "[ +*-. 1 * . * 2]"
1 15 MET 3.548 0.381 20 0 "[ . 1 . 2]"
1 16 ASP 2.506 0.135 17 0 "[ . 1 . 2]"
1 17 MET 12.092 0.323 10 0 "[ . 1 . 2]"
1 18 LYS 4.112 0.406 13 0 "[ . 1 . 2]"
1 19 PHE 18.297 0.203 19 0 "[ . 1 . 2]"
1 20 THR 10.889 0.592 2 5 "[ +*-. 1 * . * 2]"
1 21 TYR 14.994 0.289 20 0 "[ . 1 . 2]"
1 22 CYS 22.544 0.950 17 9 "[* ** -1* **. + *2]"
1 23 ASP 17.144 0.257 20 0 "[ . 1 . 2]"
1 24 ASP 12.572 0.637 18 3 "[ - 1 . *+ 2]"
1 25 ARG 22.991 0.637 18 3 "[ - 1 . *+ 2]"
1 26 ILE 44.369 0.950 17 9 "[* ** -1* **. + *2]"
1 27 THR 22.850 0.315 13 0 "[ . 1 . 2]"
1 28 GLU 12.154 0.233 13 0 "[ . 1 . 2]"
1 29 LEU 42.430 0.312 17 0 "[ . 1 . 2]"
1 30 ILE 35.029 0.260 19 0 "[ . 1 . 2]"
1 31 GLY 23.224 0.366 16 0 "[ . 1 . 2]"
1 32 TYR 37.428 0.364 8 0 "[ . 1 . 2]"
1 33 HIS 25.113 0.423 4 0 "[ . 1 . 2]"
1 34 PRO 25.539 0.588 10 9 "[ **.*-* +** . * 2]"
1 35 GLU 20.278 0.423 4 0 "[ . 1 . 2]"
1 36 GLU 31.408 0.269 7 0 "[ . 1 . 2]"
1 37 LEU 51.933 0.588 10 9 "[ **.*-* +** . * 2]"
1 38 LEU 31.624 0.289 20 0 "[ . 1 . 2]"
1 39 GLY 2.775 0.165 5 0 "[ . 1 . 2]"
1 40 ARG 20.778 0.588 10 9 "[ **.*-* +** . * 2]"
1 41 SER 4.777 0.319 17 0 "[ . 1 . 2]"
1 42 ALA 10.524 0.323 10 0 "[ . 1 . 2]"
1 43 SER 0.409 0.117 18 0 "[ . 1 . 2]"
1 44 GLU 5.797 0.156 14 0 "[ . 1 . 2]"
1 45 PHE 13.342 0.208 12 0 "[ . 1 . 2]"
1 46 TRP 23.118 0.375 15 0 "[ . 1 . 2]"
1 47 HIS 13.235 0.557 9 1 "[ . +1 . 2]"
1 48 ALA 7.213 0.222 17 0 "[ . 1 . 2]"
1 49 LEU 6.648 0.281 13 0 "[ . 1 . 2]"
1 50 ASP 10.722 0.610 15 1 "[ . 1 + 2]"
1 51 SER 3.419 0.139 3 0 "[ . 1 . 2]"
1 52 GLU 9.165 0.210 4 0 "[ . 1 . 2]"
1 53 ASN 21.467 0.324 5 0 "[ . 1 . 2]"
1 54 MET 14.692 0.709 19 6 "[ *.- * * * +2]"
1 55 THR 14.938 0.709 19 5 "[ *.- * . * +2]"
1 56 LYS 21.432 0.870 4 2 "[ +- 1 . 2]"
1 57 SER 11.897 0.709 19 5 "[ *.- * . * +2]"
1 58 HIS 4.030 0.354 9 0 "[ . 1 . 2]"
1 59 GLN 13.850 0.401 20 0 "[ . 1 . 2]"
1 60 ASN 2.802 0.388 12 0 "[ . 1 . 2]"
1 61 LEU 5.619 0.956 9 1 "[ . +1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 5.740 0.505 18 1 "[ . 1 . + 2]"
1 64 LYS 5.046 0.505 18 1 "[ . 1 . + 2]"
1 65 GLY 3.874 0.161 1 0 "[ . 1 . 2]"
1 66 GLN 10.046 0.681 10 4 "[ . +*-* . 2]"
1 67 VAL 10.751 0.956 9 5 "[ .- +** * . 2]"
1 68 VAL 7.511 0.436 8 0 "[ . 1 . 2]"
1 69 SER 0.026 0.023 7 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 15.797 0.816 19 7 "[ - . * 1 ** * +*]"
1 72 TYR 7.708 0.610 15 1 "[ . 1 + 2]"
1 73 ARG 6.184 0.557 9 1 "[ . +1 . 2]"
1 74 MET 17.284 0.245 5 0 "[ . 1 . 2]"
1 75 LEU 25.228 0.440 9 0 "[ . 1 . 2]"
1 76 ALA 16.147 0.189 5 0 "[ . 1 . 2]"
1 77 LYS 25.513 0.364 8 0 "[ . 1 . 2]"
1 78 HIS 7.904 0.539 8 2 "[ . + 1 -. 2]"
1 79 GLY 7.398 0.189 5 0 "[ . 1 . 2]"
1 80 GLY 12.572 0.749 11 3 "[ . 1+ * . -2]"
1 81 TYR 32.766 0.288 1 0 "[ . 1 . 2]"
1 82 VAL 42.590 0.388 12 0 "[ . 1 . 2]"
1 83 TRP 18.552 0.516 10 1 "[ . + . 2]"
1 84 LEU 35.525 0.436 8 0 "[ . 1 . 2]"
1 85 GLU 0.348 0.232 19 0 "[ . 1 . 2]"
1 86 THR 9.521 0.274 18 0 "[ . 1 . 2]"
1 87 GLN 3.333 0.189 17 0 "[ . 1 . 2]"
1 88 MET 11.029 0.381 20 0 "[ . 1 . 2]"
1 89 THR 18.665 0.549 12 1 "[ . 1 + . 2]"
1 90 VAL 15.448 0.305 4 0 "[ . 1 . 2]"
1 91 ILE 16.181 0.351 19 0 "[ . 1 . 2]"
1 92 TYR 18.691 0.305 4 0 "[ . 1 . 2]"
1 93 ASN 1.337 0.132 17 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 10.602 0.361 11 0 "[ . 1 . 2]"
1 96 ASN 12.196 0.846 12 1 "[ . 1 + . 2]"
1 97 LEU 11.974 0.354 9 0 "[ . 1 . 2]"
1 98 GLN 16.067 0.846 12 1 "[ . 1 + . 2]"
1 99 PRO 12.461 0.146 20 0 "[ . 1 . 2]"
1 100 GLN 0.356 0.132 17 0 "[ . 1 . 2]"
1 101 CYS 6.593 0.789 16 3 "[ - . * .+ 2]"
1 102 ILE 16.586 0.381 20 0 "[ . 1 . 2]"
1 103 MET 18.116 0.351 19 0 "[ . 1 . 2]"
1 104 ALA 11.778 0.256 12 0 "[ . 1 . 2]"
1 105 VAL 14.527 0.289 20 0 "[ . 1 . 2]"
1 106 ASN 7.843 0.373 6 0 "[ . 1 . 2]"
1 107 TYR 26.044 0.436 8 0 "[ . 1 . 2]"
1 108 VAL 22.140 0.244 19 0 "[ . 1 . 2]"
1 109 LEU 15.527 0.816 19 6 "[ . * 1 *- * +*]"
1 110 SER 3.487 0.194 2 0 "[ . 1 . 2]"
1 111 GLU 7.554 0.977 18 1 "[ . 1 . + 2]"
1 112 ILE 39.288 0.977 18 1 "[ . 1 . + 2]"
1 113 GLU 19.927 0.516 10 1 "[ . + . 2]"
1 114 LYS 15.118 0.917 5 4 "[ + 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 13 PHE H 1 13 PHE QD 3.002 . 4.129 3.365 3.239 3.549 . 0 0 "[ . 1 . 2]" 1
2 1 81 TYR HA 1 82 VAL H 2.370 . 3.072 2.467 2.443 2.498 . 0 0 "[ . 1 . 2]" 1
3 1 47 HIS H 1 47 HIS HB3 2.751 . 3.697 2.594 2.338 2.697 . 0 0 "[ . 1 . 2]" 1
4 1 7 LYS HB3 1 108 VAL H 3.150 . 4.390 2.695 2.311 2.997 . 0 0 "[ . 1 . 2]" 1
5 1 95 ARG H 1 95 ARG HA 2.590 . 3.428 2.867 2.843 2.881 . 0 0 "[ . 1 . 2]" 1
6 1 24 ASP H 1 24 ASP HA 2.470 . 3.233 2.816 2.756 2.841 . 0 0 "[ . 1 . 2]" 1
7 1 24 ASP HA 1 27 THR H 3.079 . 4.264 3.582 3.402 3.921 . 0 0 "[ . 1 . 2]" 1
8 1 24 ASP HA 1 26 ILE H 3.004 . 4.132 3.591 3.457 3.814 . 0 0 "[ . 1 . 2]" 1
9 1 13 PHE QE 1 19 PHE HD1 2.967 . 4.068 3.281 3.019 3.593 . 0 0 "[ . 1 . 2]" 1
10 1 36 GLU HA 1 37 LEU H 2.718 . 3.641 3.353 3.338 3.368 . 0 0 "[ . 1 . 2]" 1
11 1 13 PHE HA 1 13 PHE QE 3.127 . 4.349 4.417 4.375 4.489 0.140 18 0 "[ . 1 . 2]" 1
12 1 104 ALA HA 1 105 VAL HB 3.145 . 4.381 4.486 4.465 4.506 0.125 11 0 "[ . 1 . 2]" 1
13 1 103 MET HA 1 103 MET QG 2.590 . 3.429 2.562 2.410 2.885 . 0 0 "[ . 1 . 2]" 1
14 1 98 GLN HA 1 98 GLN QG 2.733 . 3.667 2.321 2.238 2.389 . 0 0 "[ . 1 . 2]" 1
15 1 7 LYS HA 1 7 LYS HB3 2.675 . 3.570 2.460 2.419 2.497 . 0 0 "[ . 1 . 2]" 1
16 1 98 GLN QG 1 99 PRO HD2 3.052 . 4.216 3.543 3.426 3.654 . 0 0 "[ . 1 . 2]" 1
17 1 13 PHE QD 1 17 MET HA 3.000 . 4.125 3.083 2.841 3.263 . 0 0 "[ . 1 . 2]" 1
18 1 105 VAL HA 1 105 VAL HB 2.792 . 3.766 3.022 3.018 3.025 . 0 0 "[ . 1 . 2]" 1
19 1 24 ASP HA 1 34 PRO HD3 2.796 . 3.774 2.729 2.452 2.908 . 0 0 "[ . 1 . 2]" 1
20 1 13 PHE HB3 1 13 PHE QD 2.760 . 3.712 2.521 2.463 2.603 . 0 0 "[ . 1 . 2]" 1
21 1 24 ASP HA 1 34 PRO HD2 2.798 . 3.776 3.627 3.363 3.826 0.050 4 0 "[ . 1 . 2]" 1
22 1 7 LYS HB3 1 7 LYS QE 3.051 . 4.215 3.534 2.542 4.119 . 0 0 "[ . 1 . 2]" 1
23 1 13 PHE HB2 1 13 PHE QD 2.811 . 3.799 2.263 2.232 2.301 . 0 0 "[ . 1 . 2]" 1
24 1 24 ASP HA 1 24 ASP QB 2.047 . 2.571 2.275 2.165 2.467 . 0 0 "[ . 1 . 2]" 1
25 1 73 ARG HB3 1 81 TYR QB 3.232 . 4.538 3.709 3.185 4.140 . 0 0 "[ . 1 . 2]" 1
26 1 36 GLU HA 1 36 GLU HB2 2.297 . 2.957 3.006 2.996 3.016 0.059 14 0 "[ . 1 . 2]" 1
27 1 36 GLU HA 1 36 GLU HG2 2.396 . 3.114 2.618 2.398 2.786 . 0 0 "[ . 1 . 2]" 1
28 1 47 HIS HB2 1 73 ARG HB2 3.230 . 4.534 2.707 1.876 3.760 0.050 10 0 "[ . 1 . 2]" 1
29 1 36 GLU HA 1 36 GLU HB3 2.209 . 2.819 2.533 2.474 2.584 . 0 0 "[ . 1 . 2]" 1
30 1 24 ASP HA 1 34 PRO HG2 2.335 . 3.017 2.657 2.533 2.756 . 0 0 "[ . 1 . 2]" 1
31 1 49 LEU HA 1 49 LEU HB3 2.282 . 2.933 2.344 2.309 2.452 . 0 0 "[ . 1 . 2]" 1
32 1 24 ASP HA 1 34 PRO HG3 2.494 . 3.271 2.216 2.009 2.348 . 0 0 "[ . 1 . 2]" 1
33 1 91 ILE HG12 1 103 MET QG 2.673 . 3.566 3.646 3.433 3.917 0.351 19 0 "[ . 1 . 2]" 1
34 1 13 PHE QD 1 104 ALA MB 2.637 . 3.407 2.132 1.926 2.392 . 0 0 "[ . 1 . 2]" 1
35 1 13 PHE QE 1 104 ALA MB 2.560 . 2.933 2.282 2.175 2.362 . 0 0 "[ . 1 . 2]" 1
36 1 76 ALA MB 1 81 TYR HA 2.686 . 3.385 2.949 2.878 3.010 . 0 0 "[ . 1 . 2]" 1
37 1 114 LYS HA 1 114 LYS QG 2.227 . 2.847 2.492 2.400 3.235 0.388 5 0 "[ . 1 . 2]" 1
38 1 47 HIS HB3 1 73 ARG HB2 3.077 . 4.260 3.442 2.429 4.331 0.071 5 0 "[ . 1 . 2]" 1
39 1 7 LYS HB3 1 7 LYS HG3 2.672 . 3.564 2.390 2.286 2.524 . 0 0 "[ . 1 . 2]" 1
40 1 13 PHE QE 1 42 ALA MB 2.501 . 3.244 2.124 1.959 2.313 . 0 0 "[ . 1 . 2]" 1
41 1 112 ILE MG 1 114 LYS HA 2.613 . 3.467 3.332 3.121 3.565 0.098 5 0 "[ . 1 . 2]" 1
42 1 47 HIS HB3 1 73 ARG HB3 2.962 . 4.058 3.896 3.562 4.485 0.427 9 0 "[ . 1 . 2]" 1
43 1 49 LEU H 1 49 LEU HA 2.649 . 3.526 2.849 2.828 2.875 . 0 0 "[ . 1 . 2]" 1
44 1 34 PRO HB3 1 35 GLU H 2.768 . 3.726 3.737 3.700 3.779 0.053 1 0 "[ . 1 . 2]" 1
45 1 100 GLN H 1 100 GLN QB 2.791 . 3.764 2.703 2.345 3.152 . 0 0 "[ . 1 . 2]" 1
46 1 11 SER HA 1 12 ARG H 2.633 . 3.499 2.351 2.297 2.437 . 0 0 "[ . 1 . 2]" 1
47 1 24 ASP HA 1 25 ARG H 3.058 . 4.227 3.431 3.405 3.481 . 0 0 "[ . 1 . 2]" 1
48 1 90 VAL HB 1 91 ILE H 3.221 . 4.518 4.068 3.880 4.151 . 0 0 "[ . 1 . 2]" 1
49 1 2 GLU HA 1 3 PHE H 2.729 . 3.660 2.827 2.126 3.568 . 0 0 "[ . 1 . 2]" 1
50 1 54 MET H 1 54 MET HG2 2.973 . 4.078 2.703 2.128 3.584 . 0 0 "[ . 1 . 2]" 1
51 1 54 MET H 1 54 MET HG3 3.154 . 4.398 3.382 2.596 3.840 . 0 0 "[ . 1 . 2]" 1
52 1 9 PHE HA 1 9 PHE QD 2.684 . 3.585 3.691 3.677 3.707 0.122 18 0 "[ . 1 . 2]" 1
53 1 92 TYR QD 1 97 LEU HA 2.859 . 3.880 3.732 3.562 3.838 . 0 0 "[ . 1 . 2]" 1
54 1 100 GLN HA 1 100 GLN QB 2.534 . 3.336 2.275 2.145 2.408 . 0 0 "[ . 1 . 2]" 1
55 1 24 ASP HA 1 34 PRO HB3 3.179 . 4.442 4.404 4.231 4.504 0.062 4 0 "[ . 1 . 2]" 1
56 1 53 ASN HA 1 56 LYS QB 2.292 . 2.949 2.873 2.460 3.117 0.168 8 0 "[ . 1 . 2]" 1
57 1 54 MET HA 1 54 MET HG3 3.068 . 4.244 3.563 3.031 3.752 . 0 0 "[ . 1 . 2]" 1
58 1 11 SER HA 1 11 SER HB2 2.589 . 3.427 2.501 2.436 3.009 . 0 0 "[ . 1 . 2]" 1
59 1 99 PRO HB2 1 99 PRO HD3 2.735 . 3.670 3.787 3.775 3.795 0.125 1 0 "[ . 1 . 2]" 1
60 1 31 GLY HA3 1 77 LYS HB3 3.037 . 4.190 2.759 2.678 2.870 . 0 0 "[ . 1 . 2]" 1
61 1 31 GLY HA2 1 77 LYS HB3 3.094 . 4.290 4.398 4.334 4.463 0.173 17 0 "[ . 1 . 2]" 1
62 1 34 PRO HB3 1 34 PRO HD3 2.823 . 3.819 3.987 3.971 4.005 0.186 17 0 "[ . 1 . 2]" 1
63 1 34 PRO HB2 1 34 PRO HD3 2.833 . 3.836 3.872 3.859 3.884 0.048 10 0 "[ . 1 . 2]" 1
64 1 9 PHE HA 1 9 PHE HB3 2.555 . 3.371 2.427 2.409 2.454 . 0 0 "[ . 1 . 2]" 1
65 1 34 PRO HB3 1 34 PRO HD2 2.883 . 3.922 3.924 3.893 3.935 0.013 20 0 "[ . 1 . 2]" 1
66 1 34 PRO HB2 1 34 PRO HD2 2.797 . 3.775 3.034 2.986 3.069 . 0 0 "[ . 1 . 2]" 1
67 1 56 LYS QB 1 56 LYS QE 2.689 . 3.593 3.657 3.490 3.825 0.232 18 0 "[ . 1 . 2]" 1
68 1 9 PHE HA 1 9 PHE HB2 2.501 . 3.283 2.447 2.418 2.463 . 0 0 "[ . 1 . 2]" 1
69 1 92 TYR HB3 1 97 LEU HA 2.894 . 3.941 2.181 2.096 2.261 . 0 0 "[ . 1 . 2]" 1
70 1 92 TYR HB2 1 97 LEU HA 2.897 . 3.946 3.245 3.116 3.399 . 0 0 "[ . 1 . 2]" 1
71 1 19 PHE HZ 1 74 MET ME 2.736 . 3.671 2.690 2.463 2.866 . 0 0 "[ . 1 . 2]" 1
72 1 9 PHE HA 1 25 ARG HB2 2.974 . 4.080 2.957 2.741 3.761 . 0 0 "[ . 1 . 2]" 1
73 1 9 PHE HA 1 10 LEU HB2 2.918 . 3.982 4.105 3.990 4.157 0.175 13 0 "[ . 1 . 2]" 1
74 1 29 LEU HA 1 29 LEU HG 2.457 . 3.212 3.009 2.990 3.024 . 0 0 "[ . 1 . 2]" 1
75 1 97 LEU HA 1 97 LEU HB2 2.463 . 3.221 2.979 2.965 2.986 . 0 0 "[ . 1 . 2]" 1
76 1 2 GLU HA 1 2 GLU HB2 2.176 . 2.768 2.849 2.429 3.024 0.256 11 0 "[ . 1 . 2]" 1
77 1 29 LEU HA 1 29 LEU HB3 2.386 . 3.098 2.352 2.343 2.361 . 0 0 "[ . 1 . 2]" 1
78 1 97 LEU HA 1 97 LEU HB3 2.445 . 3.192 2.583 2.565 2.611 . 0 0 "[ . 1 . 2]" 1
79 1 97 LEU HA 1 97 LEU HG 2.635 . 3.503 3.581 3.568 3.592 0.089 11 0 "[ . 1 . 2]" 1
80 1 97 LEU HA 1 97 LEU MD1 2.189 . 2.487 1.737 1.720 1.757 . 0 0 "[ . 1 . 2]" 1
81 1 7 LYS HB3 1 29 LEU MD2 2.801 . 3.782 2.745 2.070 3.532 . 0 0 "[ . 1 . 2]" 1
82 1 54 MET ME 1 54 MET HG2 2.867 . 3.894 3.207 2.473 3.400 . 0 0 "[ . 1 . 2]" 1
83 1 54 MET ME 1 54 MET HG3 2.950 . 4.038 2.669 2.446 3.380 . 0 0 "[ . 1 . 2]" 1
84 1 13 PHE HA 1 20 THR H 2.762 . 3.715 2.997 2.770 3.116 . 0 0 "[ . 1 . 2]" 1
85 1 113 GLU H 1 113 GLU HA 2.416 . 3.146 2.937 2.915 2.945 . 0 0 "[ . 1 . 2]" 1
86 1 66 GLN HB2 1 67 VAL H 2.925 . 3.994 3.732 2.210 4.187 0.193 16 0 "[ . 1 . 2]" 1
87 1 66 GLN HB3 1 67 VAL H 2.964 . 4.062 3.454 2.996 3.739 . 0 0 "[ . 1 . 2]" 1
88 1 83 TRP H 1 83 TRP HB3 2.966 . 4.065 3.732 3.655 3.763 . 0 0 "[ . 1 . 2]" 1
89 1 40 ARG H 1 40 ARG HB2 2.966 . 4.066 3.806 3.775 3.852 . 0 0 "[ . 1 . 2]" 1
90 1 13 PHE HA 1 21 TYR H 3.120 . 4.337 4.341 4.170 4.424 0.087 5 0 "[ . 1 . 2]" 1
91 1 54 MET HA 1 57 SER H 2.757 . 3.707 3.159 2.573 3.550 . 0 0 "[ . 1 . 2]" 1
92 1 48 ALA HA 1 50 ASP H 3.034 . 4.185 3.663 3.488 3.912 . 0 0 "[ . 1 . 2]" 1
93 1 48 ALA HA 1 51 SER H 2.735 . 3.670 3.257 3.028 3.559 . 0 0 "[ . 1 . 2]" 1
94 1 66 GLN H 1 66 GLN HB3 3.052 . 4.216 3.091 2.826 3.536 . 0 0 "[ . 1 . 2]" 1
95 1 66 GLN H 1 66 GLN HB2 3.004 . 4.132 3.311 2.804 3.943 . 0 0 "[ . 1 . 2]" 1
96 1 13 PHE HA 1 13 PHE QD 2.765 . 3.721 2.497 2.283 2.607 . 0 0 "[ . 1 . 2]" 1
97 1 75 LEU HA 1 81 TYR HA 2.775 . 3.737 2.437 2.395 2.488 . 0 0 "[ . 1 . 2]" 1
98 1 66 GLN HA 1 66 GLN HB2 2.841 . 3.850 2.567 2.437 2.880 . 0 0 "[ . 1 . 2]" 1
99 1 66 GLN HA 1 66 GLN HB3 2.866 . 3.893 2.930 2.455 3.036 . 0 0 "[ . 1 . 2]" 1
100 1 54 MET HA 1 57 SER HB2 2.671 . 3.563 3.021 2.338 3.582 0.019 18 0 "[ . 1 . 2]" 1
101 1 13 PHE HA 1 13 PHE HB3 2.854 . 3.872 2.533 2.490 2.562 . 0 0 "[ . 1 . 2]" 1
102 1 53 ASN HA 1 56 LYS QE 2.728 . 3.658 3.755 3.673 3.829 0.171 1 0 "[ . 1 . 2]" 1
103 1 13 PHE HA 1 13 PHE HB2 2.950 . 4.037 3.016 3.010 3.027 . 0 0 "[ . 1 . 2]" 1
104 1 53 ASN HA 1 53 ASN HB2 2.295 . 2.953 2.476 2.371 2.592 . 0 0 "[ . 1 . 2]" 1
105 1 53 ASN HA 1 53 ASN HB3 2.198 . 2.802 3.006 2.978 3.015 0.213 4 0 "[ . 1 . 2]" 1
106 1 13 PHE HB2 1 17 MET HA 3.025 . 4.169 3.546 3.106 4.162 . 0 0 "[ . 1 . 2]" 1
107 1 75 LEU HA 1 75 LEU HB3 2.857 . 3.878 2.848 2.819 2.862 . 0 0 "[ . 1 . 2]" 1
108 1 54 MET HA 1 54 MET HG2 2.771 . 3.730 2.850 2.264 3.818 0.088 2 0 "[ . 1 . 2]" 1
109 1 83 TRP HB3 1 109 LEU QB 2.836 . 3.841 2.134 1.827 2.344 0.004 1 0 "[ . 1 . 2]" 1
110 1 113 GLU HA 1 114 LYS QG 2.754 . 3.702 3.760 3.527 3.858 0.156 13 0 "[ . 1 . 2]" 1
111 1 75 LEU HA 1 76 ALA MB 2.851 . 3.867 3.892 3.873 3.913 0.046 5 0 "[ . 1 . 2]" 1
112 1 48 ALA HA 1 49 LEU QD 3.002 . 4.128 4.149 3.744 4.239 0.111 5 0 "[ . 1 . 2]" 1
113 1 75 LEU HA 1 75 LEU MD2 2.555 . 3.371 1.928 1.897 1.947 . 0 0 "[ . 1 . 2]" 1
114 1 83 TRP HB3 1 109 LEU QD 2.877 . 3.130 2.123 1.968 2.292 . 0 0 "[ . 1 . 2]" 1
115 1 82 VAL QG 1 108 VAL HB 2.601 . 3.446 2.719 2.643 2.813 . 0 0 "[ . 1 . 2]" 1
116 1 84 LEU MD1 1 108 VAL HB 2.644 . 3.518 2.349 2.204 2.480 . 0 0 "[ . 1 . 2]" 1
117 1 112 ILE MG 1 113 GLU HB2 3.042 . 4.199 4.185 3.825 4.501 0.302 1 0 "[ . 1 . 2]" 1
118 1 9 PHE HZ 1 26 ILE MD 2.933 . 4.008 3.222 3.070 3.374 . 0 0 "[ . 1 . 2]" 1
119 1 54 MET HA 1 54 MET HB2 2.831 . 3.833 2.879 2.419 3.010 . 0 0 "[ . 1 . 2]" 1
120 1 48 ALA HA 1 49 LEU H 2.995 . 4.116 3.507 3.466 3.534 . 0 0 "[ . 1 . 2]" 1
121 1 88 MET HA 1 89 THR H 2.490 . 3.265 2.108 2.053 2.175 . 0 0 "[ . 1 . 2]" 1
122 1 88 MET HA 1 105 VAL H 3.032 . 4.181 3.596 3.304 3.820 . 0 0 "[ . 1 . 2]" 1
123 1 25 ARG H 1 25 ARG HB3 2.924 . 3.993 3.434 2.675 3.589 . 0 0 "[ . 1 . 2]" 1
124 1 18 LYS HA 1 42 ALA H 2.977 . 4.085 3.535 3.152 3.996 . 0 0 "[ . 1 . 2]" 1
125 1 111 GLU H 1 111 GLU QB 2.270 . 2.914 2.273 2.151 2.685 . 0 0 "[ . 1 . 2]" 1
126 1 50 ASP H 1 50 ASP HA 2.558 . 3.376 2.952 2.942 2.958 . 0 0 "[ . 1 . 2]" 1
127 1 36 GLU H 1 36 GLU HB3 2.587 . 3.423 3.522 3.486 3.586 0.163 17 0 "[ . 1 . 2]" 1
128 1 18 LYS HA 1 19 PHE HD1 3.073 . 4.254 4.163 4.022 4.294 0.040 9 0 "[ . 1 . 2]" 1
129 1 42 ALA HA 1 45 PHE QD 2.443 . 3.189 2.748 2.374 3.196 0.007 20 0 "[ . 1 . 2]" 1
130 1 19 PHE HE1 1 42 ALA HA 2.427 . 3.163 2.093 1.979 2.446 . 0 0 "[ . 1 . 2]" 1
131 1 37 LEU H 1 37 LEU HA 2.598 . 3.442 2.922 2.915 2.928 . 0 0 "[ . 1 . 2]" 1
132 1 37 LEU HA 1 45 PHE QE 2.907 . 3.963 3.718 3.535 3.926 . 0 0 "[ . 1 . 2]" 1
133 1 32 TYR QD 1 36 GLU HB3 2.923 . 3.991 3.726 3.436 3.899 . 0 0 "[ . 1 . 2]" 1
134 1 12 ARG HA 1 103 MET HA 2.745 . 3.687 3.195 3.048 3.356 . 0 0 "[ . 1 . 2]" 1
135 1 18 LYS HA 1 41 SER HA 2.550 . 3.363 2.068 1.897 2.392 . 0 0 "[ . 1 . 2]" 1
136 1 40 ARG HA 1 40 ARG HB2 2.884 . 3.924 2.367 2.345 2.400 . 0 0 "[ . 1 . 2]" 1
137 1 111 GLU HA 1 111 GLU QB 2.275 . 2.922 2.440 2.174 2.531 . 0 0 "[ . 1 . 2]" 1
138 1 95 ARG HA 1 95 ARG QB 2.263 . 2.903 2.380 2.292 2.457 . 0 0 "[ . 1 . 2]" 1
139 1 88 MET HA 1 89 THR HB 3.141 . 4.374 4.299 4.122 4.427 0.053 9 0 "[ . 1 . 2]" 1
140 1 50 ASP HA 1 50 ASP HB2 2.364 . 3.063 2.801 2.479 3.037 . 0 0 "[ . 1 . 2]" 1
141 1 95 ARG QB 1 95 ARG QD 2.392 . 3.107 2.315 2.047 2.860 . 0 0 "[ . 1 . 2]" 1
142 1 50 ASP HA 1 50 ASP HB3 2.450 . 3.200 2.749 2.470 3.027 . 0 0 "[ . 1 . 2]" 1
143 1 88 MET HA 1 88 MET HG2 2.793 . 3.768 2.493 2.462 2.535 . 0 0 "[ . 1 . 2]" 1
144 1 37 LEU HA 1 40 ARG HB3 2.981 . 4.092 4.115 3.990 4.183 0.091 12 0 "[ . 1 . 2]" 1
145 1 88 MET HA 1 88 MET HB3 2.882 . 3.921 2.500 2.473 2.520 . 0 0 "[ . 1 . 2]" 1
146 1 12 ARG HA 1 12 ARG HB3 2.818 . 3.811 2.457 2.399 2.545 . 0 0 "[ . 1 . 2]" 1
147 1 15 MET ME 1 15 MET HG2 2.552 . 3.366 2.560 2.283 3.400 0.034 6 0 "[ . 1 . 2]" 1
148 1 88 MET HA 1 88 MET HB2 2.796 . 3.773 3.007 3.001 3.011 . 0 0 "[ . 1 . 2]" 1
149 1 37 LEU HA 1 40 ARG HG2 2.717 . 3.640 2.176 1.996 2.300 . 0 0 "[ . 1 . 2]" 1
150 1 86 THR MG 1 88 MET HA 2.990 . 4.108 3.749 3.671 3.945 . 0 0 "[ . 1 . 2]" 1
151 1 88 MET HA 1 102 ILE MG 2.710 . 3.628 2.916 2.667 3.355 . 0 0 "[ . 1 . 2]" 1
152 1 42 ALA HA 1 42 ALA MB 2.179 . 2.725 2.106 2.094 2.115 . 0 0 "[ . 1 . 2]" 1
153 1 37 LEU HA 1 37 LEU HB2 2.610 . 3.462 3.011 3.008 3.018 . 0 0 "[ . 1 . 2]" 1
154 1 25 ARG HB2 1 29 LEU MD1 2.635 . 3.503 3.075 2.827 3.767 0.264 18 0 "[ . 1 . 2]" 1
155 1 25 ARG HB3 1 29 LEU MD1 2.743 . 3.684 1.899 1.750 2.576 0.052 19 0 "[ . 1 . 2]" 1
156 1 37 LEU HA 1 37 LEU HG 2.699 . 3.610 3.199 3.180 3.209 . 0 0 "[ . 1 . 2]" 1
157 1 37 LEU HA 1 37 LEU HB3 2.612 . 3.465 2.401 2.386 2.413 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU H 1 10 LEU HA 2.829 . 3.830 2.832 2.819 2.852 . 0 0 "[ . 1 . 2]" 1
159 1 46 TRP HB3 1 47 HIS H 3.219 . 4.514 3.258 2.975 3.527 . 0 0 "[ . 1 . 2]" 1
160 1 101 CYS H 1 101 CYS HB2 3.117 . 4.331 3.203 2.641 3.941 . 0 0 "[ . 1 . 2]" 1
161 1 28 GLU H 1 28 GLU HB2 2.329 . 3.007 2.933 2.820 2.991 . 0 0 "[ . 1 . 2]" 1
162 1 22 CYS H 1 22 CYS HB3 2.778 . 3.743 3.434 2.997 3.781 0.038 3 0 "[ . 1 . 2]" 1
163 1 22 CYS H 1 22 CYS HB2 2.788 . 3.759 3.499 3.309 3.634 . 0 0 "[ . 1 . 2]" 1
164 1 33 HIS HB2 1 33 HIS HD2 2.981 . 4.092 3.103 2.813 3.210 . 0 0 "[ . 1 . 2]" 1
165 1 19 PHE HD2 1 22 CYS HB3 2.938 . 4.017 3.457 2.830 4.181 0.164 11 0 "[ . 1 . 2]" 1
166 1 46 TRP HA 1 72 TYR QE 3.045 . 4.204 3.219 2.898 3.523 . 0 0 "[ . 1 . 2]" 1
167 1 46 TRP HA 1 46 TRP HB2 2.966 . 4.066 3.009 2.994 3.022 . 0 0 "[ . 1 . 2]" 1
168 1 78 HIS HA 1 78 HIS HB3 2.401 . 3.121 2.414 2.385 2.440 . 0 0 "[ . 1 . 2]" 1
169 1 78 HIS HA 1 78 HIS HB2 2.565 . 3.387 3.022 3.016 3.029 . 0 0 "[ . 1 . 2]" 1
170 1 22 CYS HA 1 22 CYS HB2 2.694 . 3.601 2.648 2.476 2.771 . 0 0 "[ . 1 . 2]" 1
171 1 22 CYS HA 1 22 CYS HB3 2.637 . 3.506 2.607 2.248 3.037 . 0 0 "[ . 1 . 2]" 1
172 1 25 ARG HA 1 28 GLU HB2 2.727 . 3.657 3.622 3.396 3.697 0.040 20 0 "[ . 1 . 2]" 1
173 1 25 ARG HA 1 28 GLU HB3 2.743 . 3.683 2.451 2.361 2.607 . 0 0 "[ . 1 . 2]" 1
174 1 46 TRP HB2 1 51 SER HA 3.290 . 4.643 3.494 3.095 3.934 . 0 0 "[ . 1 . 2]" 1
175 1 28 GLU HA 1 28 GLU HB2 2.148 . 2.724 2.302 2.296 2.323 . 0 0 "[ . 1 . 2]" 1
176 1 46 TRP HA 1 46 TRP HB3 2.662 . 3.548 2.558 2.485 2.610 . 0 0 "[ . 1 . 2]" 1
177 1 33 HIS HB3 1 36 GLU HB2 3.056 . 4.223 2.959 2.645 3.529 . 0 0 "[ . 1 . 2]" 1
178 1 74 MET HA 1 74 MET HB3 2.631 . 3.496 3.023 3.021 3.027 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU HA 1 10 LEU HB2 2.640 . 3.511 2.949 2.851 2.985 . 0 0 "[ . 1 . 2]" 1
180 1 28 GLU HB3 1 29 LEU MD2 2.644 . 3.518 3.527 3.401 3.573 0.055 1 0 "[ . 1 . 2]" 1
181 1 28 GLU HB3 1 29 LEU MD1 2.646 . 3.521 3.659 3.528 3.707 0.186 5 0 "[ . 1 . 2]" 1
182 1 33 HIS H 1 77 LYS HD2 3.136 . 4.366 4.333 4.125 4.459 0.093 18 0 "[ . 1 . 2]" 1
183 1 84 LEU HA 1 107 TYR H 3.146 . 4.383 4.104 3.999 4.254 . 0 0 "[ . 1 . 2]" 1
184 1 71 GLN QB 1 72 TYR H 3.085 . 4.275 3.462 3.056 3.744 . 0 0 "[ . 1 . 2]" 1
185 1 84 LEU HA 1 109 LEU H 2.784 . 3.753 2.399 2.333 2.521 . 0 0 "[ . 1 . 2]" 1
186 1 52 GLU H 1 52 GLU HB3 2.816 . 3.807 2.498 2.424 2.572 . 0 0 "[ . 1 . 2]" 1
187 1 52 GLU H 1 52 GLU HB2 2.794 . 3.770 2.457 2.371 2.555 . 0 0 "[ . 1 . 2]" 1
188 1 71 GLN H 1 71 GLN QB 2.813 . 3.739 2.540 2.340 2.808 . 0 0 "[ . 1 . 2]" 1
189 1 84 LEU HA 1 85 GLU H 2.582 . 3.415 2.261 2.210 2.316 . 0 0 "[ . 1 . 2]" 1
190 1 52 GLU HB2 1 53 ASN H 2.630 . 3.495 3.609 3.556 3.646 0.151 20 0 "[ . 1 . 2]" 1
191 1 55 THR H 1 56 LYS QD 3.071 . 4.250 3.667 3.463 4.422 0.172 4 0 "[ . 1 . 2]" 1
192 1 56 LYS H 1 56 LYS QD 2.760 . 3.712 1.965 1.766 2.752 0.042 6 0 "[ . 1 . 2]" 1
193 1 44 GLU HB2 1 45 PHE H 3.048 . 4.209 2.778 2.490 3.029 . 0 0 "[ . 1 . 2]" 1
194 1 44 GLU HB3 1 45 PHE H 3.005 . 4.134 3.771 3.472 4.117 . 0 0 "[ . 1 . 2]" 1
195 1 26 ILE H 1 26 ILE HG13 3.202 . 4.484 4.378 4.370 4.396 . 0 0 "[ . 1 . 2]" 1
196 1 44 GLU H 1 44 GLU HB3 2.573 . 3.400 3.533 3.507 3.556 0.156 14 0 "[ . 1 . 2]" 1
197 1 71 GLN QB 1 83 TRP HZ3 3.099 . 4.300 3.421 2.543 4.236 . 0 0 "[ . 1 . 2]" 1
198 1 32 TYR QE 1 77 LYS HD3 2.905 . 3.960 4.025 3.980 4.092 0.132 18 0 "[ . 1 . 2]" 1
199 1 32 TYR QE 1 77 LYS HD2 2.858 . 3.879 2.740 2.441 3.883 0.004 8 0 "[ . 1 . 2]" 1
200 1 32 TYR QD 1 77 LYS HD2 2.734 . 3.668 2.145 1.944 3.007 . 0 0 "[ . 1 . 2]" 1
201 1 71 GLN HA 1 71 GLN QB 3.077 . 4.231 2.315 2.148 2.424 . 0 0 "[ . 1 . 2]" 1
202 1 18 LYS HA 1 18 LYS QD 2.831 . 3.833 3.030 2.302 3.856 0.023 13 0 "[ . 1 . 2]" 1
203 1 7 LYS HA 1 7 LYS HD2 2.455 . 3.208 2.195 1.859 3.144 . 0 0 "[ . 1 . 2]" 1
204 1 7 LYS HA 1 7 LYS HD3 2.604 . 3.452 2.486 1.952 3.259 . 0 0 "[ . 1 . 2]" 1
205 1 56 LYS HA 1 56 LYS QD 2.435 . 3.176 2.525 2.232 3.078 . 0 0 "[ . 1 . 2]" 1
206 1 32 TYR HA 1 77 LYS HD2 2.769 . 3.727 2.944 2.874 3.150 . 0 0 "[ . 1 . 2]" 1
207 1 83 TRP HD1 1 110 SER QB 2.711 . 3.630 2.056 1.834 2.242 . 0 0 "[ . 1 . 2]" 1
208 1 44 GLU HA 1 44 GLU HB3 2.362 . 3.059 2.472 2.376 2.522 . 0 0 "[ . 1 . 2]" 1
209 1 77 LYS HA 1 77 LYS HD2 2.853 . 3.871 2.776 2.498 3.935 0.064 8 0 "[ . 1 . 2]" 1
210 1 83 TRP HB2 1 83 TRP HD1 2.692 . 3.598 2.606 2.553 2.683 . 0 0 "[ . 1 . 2]" 1
211 1 74 MET HA 1 74 MET HG3 2.674 . 3.568 2.580 2.530 2.618 . 0 0 "[ . 1 . 2]" 1
212 1 26 ILE HA 1 26 ILE HG12 2.789 . 3.762 3.738 3.716 3.755 . 0 0 "[ . 1 . 2]" 1
213 1 77 LYS HD3 1 77 LYS QE 2.274 . 2.920 2.202 2.165 2.403 . 0 0 "[ . 1 . 2]" 1
214 1 77 LYS HD2 1 77 LYS QE 2.224 . 2.842 2.390 2.306 2.434 . 0 0 "[ . 1 . 2]" 1
215 1 26 ILE HG12 1 30 ILE HB 2.857 . 3.877 3.915 3.884 3.944 0.067 1 0 "[ . 1 . 2]" 1
216 1 83 TRP HD1 1 109 LEU QB 3.167 . 4.421 4.646 4.608 4.692 0.271 3 0 "[ . 1 . 2]" 1
217 1 74 MET HA 1 75 LEU HB2 2.973 . 4.078 4.166 4.141 4.193 0.115 20 0 "[ . 1 . 2]" 1
218 1 84 LEU HA 1 109 LEU QB 3.041 . 4.197 4.190 4.150 4.222 0.025 7 0 "[ . 1 . 2]" 1
219 1 84 LEU HA 1 84 LEU HG 3.002 . 4.129 4.232 4.225 4.242 0.113 8 0 "[ . 1 . 2]" 1
220 1 84 LEU HA 1 84 LEU HB2 2.529 . 3.329 2.597 2.572 2.625 . 0 0 "[ . 1 . 2]" 1
221 1 84 LEU HA 1 84 LEU HB3 2.608 . 3.459 2.251 2.244 2.263 . 0 0 "[ . 1 . 2]" 1
222 1 84 LEU HA 1 109 LEU QD 2.408 . 3.133 1.906 1.843 2.058 . 0 0 "[ . 1 . 2]" 1
223 1 7 LYS HD3 1 29 LEU MD2 2.454 . 3.207 2.891 1.939 3.214 0.007 7 0 "[ . 1 . 2]" 1
224 1 18 LYS QD 1 18 LYS QG 2.273 . 2.919 2.084 2.075 2.091 . 0 0 "[ . 1 . 2]" 1
225 1 112 ILE MG 1 114 LYS QD 2.397 . 3.115 3.203 2.547 3.321 0.206 20 0 "[ . 1 . 2]" 1
226 1 7 LYS HD2 1 29 LEU MD2 2.388 . 3.101 1.873 1.761 2.244 . 0 0 "[ . 1 . 2]" 1
227 1 77 LYS HD3 1 77 LYS QG 2.410 . 3.136 2.403 2.355 2.509 . 0 0 "[ . 1 . 2]" 1
228 1 77 LYS HD2 1 77 LYS QG 2.388 . 3.101 2.262 2.124 2.314 . 0 0 "[ . 1 . 2]" 1
229 1 77 LYS HB2 1 77 LYS HD3 2.832 . 3.835 2.228 1.935 2.348 . 0 0 "[ . 1 . 2]" 1
230 1 77 LYS HB2 1 77 LYS HD2 2.798 . 3.776 2.911 2.787 3.291 . 0 0 "[ . 1 . 2]" 1
231 1 26 ILE HG12 1 37 LEU MD1 3.096 . 4.294 2.101 2.042 2.180 . 0 0 "[ . 1 . 2]" 1
232 1 34 PRO HG2 1 35 GLU H 2.963 . 4.060 3.801 3.647 3.894 . 0 0 "[ . 1 . 2]" 1
233 1 34 PRO HG3 1 35 GLU H 3.189 . 4.460 4.441 4.310 4.474 0.014 1 0 "[ . 1 . 2]" 1
234 1 84 LEU H 1 84 LEU MD2 3.064 . 4.237 2.211 2.100 2.379 . 0 0 "[ . 1 . 2]" 1
235 1 74 MET H 1 84 LEU MD2 2.879 . 3.915 3.761 3.628 3.892 . 0 0 "[ . 1 . 2]" 1
236 1 112 ILE HG13 1 113 GLU H 2.998 . 4.121 3.879 3.818 3.921 . 0 0 "[ . 1 . 2]" 1
237 1 112 ILE HG12 1 113 GLU H 3.078 . 4.262 4.519 4.469 4.555 0.293 8 0 "[ . 1 . 2]" 1
238 1 59 GLN H 1 59 GLN HB3 2.608 . 3.458 3.551 3.532 3.565 0.107 10 0 "[ . 1 . 2]" 1
239 1 59 GLN H 1 59 GLN HB2 2.514 . 3.304 2.434 2.339 2.536 . 0 0 "[ . 1 . 2]" 1
240 1 92 TYR QD 1 99 PRO HG2 3.068 . 4.245 4.300 4.264 4.340 0.095 12 0 "[ . 1 . 2]" 1
241 1 10 LEU HG 1 21 TYR HE2 3.008 . 4.139 3.978 3.813 4.198 0.059 11 0 "[ . 1 . 2]" 1
242 1 9 PHE HZ 1 84 LEU MD2 2.294 . 2.952 2.925 2.807 2.993 0.041 8 0 "[ . 1 . 2]" 1
243 1 72 TYR QE 1 84 LEU MD2 2.614 . 3.468 2.886 2.810 2.988 . 0 0 "[ . 1 . 2]" 1
244 1 84 LEU MD2 1 86 THR HG1 3.148 . 4.387 3.187 2.839 3.327 . 0 0 "[ . 1 . 2]" 1
245 1 12 ARG HA 1 12 ARG QG 2.939 . 4.019 2.445 2.336 2.535 . 0 0 "[ . 1 . 2]" 1
246 1 84 LEU HA 1 84 LEU MD2 2.676 . 3.571 3.512 3.495 3.544 . 0 0 "[ . 1 . 2]" 1
247 1 84 LEU MD2 1 106 ASN HA 3.040 . 4.196 4.199 4.157 4.227 0.031 5 0 "[ . 1 . 2]" 1
248 1 10 LEU HA 1 10 LEU HG 2.582 . 3.416 3.428 2.717 3.620 0.204 17 0 "[ . 1 . 2]" 1
249 1 83 TRP HA 1 84 LEU MD2 3.088 . 4.280 3.968 3.859 4.098 . 0 0 "[ . 1 . 2]" 1
250 1 56 LYS HA 1 59 GLN HB3 2.483 . 3.253 3.398 3.306 3.469 0.216 13 0 "[ . 1 . 2]" 1
251 1 99 PRO HD2 1 99 PRO HG2 2.394 . 3.111 2.300 2.293 2.314 . 0 0 "[ . 1 . 2]" 1
252 1 56 LYS HA 1 59 GLN HB2 2.223 . 2.841 1.964 1.841 2.093 . 0 0 "[ . 1 . 2]" 1
253 1 84 LEU MD2 1 108 VAL HA 3.013 . 4.147 4.341 4.320 4.370 0.223 10 0 "[ . 1 . 2]" 1
254 1 59 GLN HA 1 59 GLN HB3 2.490 . 3.265 2.484 2.420 2.547 . 0 0 "[ . 1 . 2]" 1
255 1 99 PRO HD3 1 99 PRO HG2 2.377 . 3.083 2.693 2.670 2.704 . 0 0 "[ . 1 . 2]" 1
256 1 17 MET HA 1 17 MET QB 2.672 . 3.564 2.351 2.304 2.387 . 0 0 "[ . 1 . 2]" 1
257 1 112 ILE HA 1 112 ILE HG12 2.569 . 3.394 3.391 3.361 3.415 0.021 10 0 "[ . 1 . 2]" 1
258 1 34 PRO HD3 1 34 PRO HG2 2.556 . 3.373 2.722 2.693 2.732 . 0 0 "[ . 1 . 2]" 1
259 1 34 PRO HD3 1 34 PRO HG3 2.598 . 3.441 2.281 2.274 2.291 . 0 0 "[ . 1 . 2]" 1
260 1 34 PRO HD2 1 34 PRO HG2 2.514 . 3.304 2.286 2.277 2.295 . 0 0 "[ . 1 . 2]" 1
261 1 34 PRO HD2 1 34 PRO HG3 2.614 . 3.468 2.965 2.957 2.978 . 0 0 "[ . 1 . 2]" 1
262 1 26 ILE HA 1 30 ILE HG13 3.161 . 4.410 2.601 2.468 2.737 . 0 0 "[ . 1 . 2]" 1
263 1 74 MET HG2 1 84 LEU MD2 2.867 . 3.895 3.908 3.891 3.933 0.038 19 0 "[ . 1 . 2]" 1
264 1 24 ASP QB 1 34 PRO HG3 2.973 . 4.078 3.934 3.694 4.141 0.063 3 0 "[ . 1 . 2]" 1
265 1 30 ILE HG13 1 32 TYR HB2 3.244 . 4.559 4.372 4.309 4.553 . 0 0 "[ . 1 . 2]" 1
266 1 74 MET HB3 1 84 LEU MD2 2.307 . 2.972 2.499 2.384 2.574 . 0 0 "[ . 1 . 2]" 1
267 1 26 ILE MG 1 34 PRO HG2 2.701 . 3.613 3.528 3.449 3.616 0.003 9 0 "[ . 1 . 2]" 1
268 1 90 VAL MG1 1 99 PRO HG3 2.820 . 3.814 1.986 1.910 2.072 . 0 0 "[ . 1 . 2]" 1
269 1 84 LEU H 1 84 LEU HG 3.229 . 4.532 4.330 4.259 4.425 . 0 0 "[ . 1 . 2]" 1
270 1 40 ARG HG3 1 41 SER H 3.025 . 4.169 2.394 2.326 2.504 . 0 0 "[ . 1 . 2]" 1
271 1 25 ARG H 1 25 ARG QG 2.714 . 3.634 2.614 2.260 3.940 0.306 5 0 "[ . 1 . 2]" 1
272 1 91 ILE H 1 91 ILE HG13 3.031 . 4.179 4.016 3.952 4.097 . 0 0 "[ . 1 . 2]" 1
273 1 95 ARG H 1 95 ARG HG2 2.876 . 3.910 3.290 2.338 4.051 0.141 3 0 "[ . 1 . 2]" 1
274 1 95 ARG H 1 95 ARG HG3 2.855 . 3.874 3.572 2.346 3.914 0.040 15 0 "[ . 1 . 2]" 1
275 1 30 ILE H 1 30 ILE HG12 2.699 . 3.610 3.132 3.108 3.158 . 0 0 "[ . 1 . 2]" 1
276 1 54 MET H 1 54 MET HB3 3.214 . 4.506 3.378 2.699 3.583 . 0 0 "[ . 1 . 2]" 1
277 1 30 ILE HG12 1 31 GLY H 3.240 . 4.552 4.327 4.305 4.353 . 0 0 "[ . 1 . 2]" 1
278 1 29 LEU H 1 30 ILE HG13 3.094 . 4.291 3.934 3.869 4.007 . 0 0 "[ . 1 . 2]" 1
279 1 29 LEU H 1 30 ILE HG12 3.247 . 4.565 4.656 4.623 4.694 0.129 7 0 "[ . 1 . 2]" 1
280 1 9 PHE QD 1 25 ARG QG 3.215 . 4.507 4.597 3.931 4.737 0.230 9 0 "[ . 1 . 2]" 1
281 1 40 ARG HG3 1 45 PHE QE 3.150 . 4.390 3.111 2.871 3.308 . 0 0 "[ . 1 . 2]" 1
282 1 40 ARG HG2 1 45 PHE QE 3.097 . 4.296 3.909 3.802 4.095 . 0 0 "[ . 1 . 2]" 1
283 1 30 ILE HG13 1 32 TYR QD 2.775 . 3.738 3.808 3.789 3.831 0.093 7 0 "[ . 1 . 2]" 1
284 1 30 ILE HG12 1 32 TYR QD 3.113 . 4.324 4.456 4.424 4.495 0.171 7 0 "[ . 1 . 2]" 1
285 1 30 ILE HG13 1 32 TYR H 2.993 . 4.113 3.902 3.861 3.992 . 0 0 "[ . 1 . 2]" 1
286 1 9 PHE HA 1 25 ARG QG 3.263 . 4.594 3.306 3.010 3.920 . 0 0 "[ . 1 . 2]" 1
287 1 83 TRP HA 1 84 LEU MD1 3.036 . 4.188 3.075 3.003 3.143 . 0 0 "[ . 1 . 2]" 1
288 1 30 ILE HA 1 30 ILE HG13 2.769 . 3.728 3.608 3.588 3.628 . 0 0 "[ . 1 . 2]" 1
289 1 30 ILE HA 1 30 ILE HG12 2.817 . 3.809 2.805 2.771 2.832 . 0 0 "[ . 1 . 2]" 1
290 1 25 ARG HA 1 25 ARG QG 2.279 . 2.928 2.744 2.695 2.825 . 0 0 "[ . 1 . 2]" 1
291 1 95 ARG HA 1 95 ARG HG2 2.587 . 3.424 3.249 2.433 3.582 0.158 14 0 "[ . 1 . 2]" 1
292 1 95 ARG HA 1 95 ARG HG3 2.544 . 3.353 2.948 2.291 3.623 0.270 2 0 "[ . 1 . 2]" 1
293 1 91 ILE HA 1 91 ILE HG12 3.139 . 4.370 3.057 3.000 3.122 . 0 0 "[ . 1 . 2]" 1
294 1 37 LEU HA 1 40 ARG HG3 3.009 . 4.141 3.385 2.935 3.590 . 0 0 "[ . 1 . 2]" 1
295 1 9 PHE HB3 1 25 ARG QG 2.962 . 4.059 3.208 2.943 3.366 . 0 0 "[ . 1 . 2]" 1
296 1 95 ARG QD 1 95 ARG HG2 2.344 . 3.031 2.307 2.160 2.358 . 0 0 "[ . 1 . 2]" 1
297 1 95 ARG QD 1 95 ARG HG3 2.273 . 2.919 2.359 2.325 2.426 . 0 0 "[ . 1 . 2]" 1
298 1 26 ILE HA 1 30 ILE HG12 3.135 . 4.363 4.088 3.959 4.236 . 0 0 "[ . 1 . 2]" 1
299 1 9 PHE HB2 1 25 ARG QG 3.051 . 4.215 4.133 3.905 4.318 0.103 18 0 "[ . 1 . 2]" 1
300 1 91 ILE HG13 1 103 MET QG 2.987 . 4.102 3.133 2.705 3.601 . 0 0 "[ . 1 . 2]" 1
301 1 91 ILE HB 1 91 ILE HG13 2.767 . 3.724 2.471 2.452 2.488 . 0 0 "[ . 1 . 2]" 1
302 1 106 ASN HA 1 106 ASN HB3 2.880 . 3.917 2.427 2.411 2.481 . 0 0 "[ . 1 . 2]" 1
303 1 86 THR MG 1 106 ASN HA 2.845 . 3.857 3.583 3.395 3.772 . 0 0 "[ . 1 . 2]" 1
304 1 91 ILE HG13 1 91 ILE MG 2.562 . 3.382 2.326 2.295 2.371 . 0 0 "[ . 1 . 2]" 1
305 1 54 MET HB3 1 54 MET ME 3.104 . 4.308 2.152 1.834 3.205 0.066 12 0 "[ . 1 . 2]" 1
306 1 26 ILE HG13 1 30 ILE HG13 2.894 . 3.941 2.321 2.255 2.379 . 0 0 "[ . 1 . 2]" 1
307 1 26 ILE HG13 1 30 ILE HG12 2.952 . 4.041 4.000 3.929 4.063 0.022 18 0 "[ . 1 . 2]" 1
308 1 26 ILE MD 1 30 ILE HG12 2.786 . 3.756 3.832 3.782 3.883 0.127 13 0 "[ . 1 . 2]" 1
309 1 84 LEU H 1 84 LEU MD1 2.879 . 3.915 2.290 2.193 2.353 . 0 0 "[ . 1 . 2]" 1
310 1 75 LEU HG 1 76 ALA H 3.101 . 4.303 4.439 4.414 4.472 0.169 20 0 "[ . 1 . 2]" 1
311 1 83 TRP H 1 84 LEU MD1 3.055 . 4.222 3.134 3.066 3.192 . 0 0 "[ . 1 . 2]" 1
312 1 29 LEU MD1 1 30 ILE H 2.874 . 3.907 4.127 4.096 4.167 0.260 19 0 "[ . 1 . 2]" 1
313 1 92 TYR QE 1 99 PRO HD2 2.910 . 3.969 4.053 3.984 4.109 0.140 2 0 "[ . 1 . 2]" 1
314 1 84 LEU HA 1 84 LEU MD1 2.397 . 3.115 3.291 3.269 3.319 0.204 13 0 "[ . 1 . 2]" 1
315 1 98 GLN HA 1 99 PRO HD2 2.292 . 2.949 2.283 2.208 2.362 . 0 0 "[ . 1 . 2]" 1
316 1 98 GLN HA 1 99 PRO HD3 2.280 . 2.930 2.033 1.967 2.116 . 0 0 "[ . 1 . 2]" 1
317 1 109 LEU HA 1 109 LEU HG 2.750 . 3.695 3.671 3.622 3.706 0.011 13 0 "[ . 1 . 2]" 1
318 1 62 CYS HA 1 62 CYS HB3 2.685 . 3.586 2.695 2.372 3.033 . 0 0 "[ . 1 . 2]" 1
319 1 84 LEU MD1 1 108 VAL HA 2.346 . 3.034 3.145 3.120 3.172 0.138 10 0 "[ . 1 . 2]" 1
320 1 61 LEU HA 1 61 LEU HG 3.100 . 4.301 3.181 2.860 3.702 . 0 0 "[ . 1 . 2]" 1
321 1 76 ALA HA 1 76 ALA MB 2.225 . 2.844 2.112 2.106 2.118 . 0 0 "[ . 1 . 2]" 1
322 1 49 LEU QD 1 49 LEU HG 2.142 . 2.715 1.883 1.881 1.890 . 0 0 "[ . 1 . 2]" 1
323 1 49 LEU H 1 49 LEU HG 2.645 . 3.519 2.019 1.763 3.757 0.238 13 0 "[ . 1 . 2]" 1
324 1 84 LEU H 1 109 LEU QD 2.913 . 3.974 3.247 3.021 3.386 . 0 0 "[ . 1 . 2]" 1
325 1 104 ALA H 1 104 ALA HA 2.934 . 4.010 2.953 2.946 2.959 . 0 0 "[ . 1 . 2]" 1
326 1 109 LEU H 1 109 LEU QD 2.720 . 3.390 1.805 1.753 1.981 0.042 18 0 "[ . 1 . 2]" 1
327 1 46 TRP HD1 1 47 HIS H 2.972 . 4.076 4.190 4.115 4.253 0.177 20 0 "[ . 1 . 2]" 1
328 1 85 GLU H 1 109 LEU QD 2.907 . 3.963 2.667 2.492 2.919 . 0 0 "[ . 1 . 2]" 1
329 1 109 LEU QD 1 110 SER H 3.030 . 3.468 3.463 3.415 3.540 0.072 2 0 "[ . 1 . 2]" 1
330 1 92 TYR QD 1 99 PRO HD2 2.934 . 4.010 3.720 3.668 3.800 . 0 0 "[ . 1 . 2]" 1
331 1 9 PHE QD 1 29 LEU MD1 2.372 . 3.076 1.937 1.856 2.025 . 0 0 "[ . 1 . 2]" 1
332 1 46 TRP HA 1 46 TRP HD1 2.492 . 3.268 2.185 2.136 2.206 . 0 0 "[ . 1 . 2]" 1
333 1 7 LYS HA 1 29 LEU MD1 2.525 . 3.322 3.402 3.327 3.467 0.145 7 0 "[ . 1 . 2]" 1
334 1 108 VAL HA 1 109 LEU QD 2.839 . 3.846 2.762 2.590 2.948 . 0 0 "[ . 1 . 2]" 1
335 1 38 LEU HA 1 38 LEU HG 2.898 . 3.948 3.333 3.307 3.375 . 0 0 "[ . 1 . 2]" 1
336 1 46 TRP HB2 1 46 TRP HD1 3.164 . 4.416 3.655 3.556 3.738 . 0 0 "[ . 1 . 2]" 1
337 1 25 ARG HD3 1 29 LEU MD1 2.949 . 4.036 3.840 3.759 3.918 . 0 0 "[ . 1 . 2]" 1
338 1 46 TRP HB3 1 46 TRP HD1 2.886 . 3.927 3.566 3.458 3.670 . 0 0 "[ . 1 . 2]" 1
339 1 9 PHE HB2 1 29 LEU MD1 2.716 . 3.638 3.587 3.340 3.694 0.056 15 0 "[ . 1 . 2]" 1
340 1 32 TYR HB2 1 37 LEU HG 3.126 . 4.348 3.771 3.623 3.831 . 0 0 "[ . 1 . 2]" 1
341 1 36 GLU HB2 1 37 LEU HG 3.135 . 4.363 2.753 2.571 2.819 . 0 0 "[ . 1 . 2]" 1
342 1 46 TRP HD1 1 74 MET ME 3.250 . 4.571 4.422 4.145 4.596 0.025 6 0 "[ . 1 . 2]" 1
343 1 99 PRO HD3 1 99 PRO HG3 2.315 . 2.985 2.283 2.271 2.296 . 0 0 "[ . 1 . 2]" 1
344 1 46 TRP HD1 1 54 MET ME 3.158 . 4.405 4.119 3.669 4.519 0.114 15 0 "[ . 1 . 2]" 1
345 1 34 PRO HD2 1 35 GLU H 3.189 . 4.460 2.856 2.584 2.913 . 0 0 "[ . 1 . 2]" 1
346 1 10 LEU H 1 10 LEU MD2 2.934 . 4.010 2.470 1.964 3.821 . 0 0 "[ . 1 . 2]" 1
347 1 35 GLU H 1 38 LEU MD1 2.895 . 3.943 3.956 3.760 4.011 0.068 11 0 "[ . 1 . 2]" 1
348 1 61 LEU MD1 1 67 VAL H 2.571 . 3.398 2.527 1.952 4.354 0.956 9 1 "[ . +1 . 2]" 1
349 1 97 LEU H 1 97 LEU MD2 2.611 . 3.463 2.250 2.172 2.331 . 0 0 "[ . 1 . 2]" 1
350 1 56 LYS H 1 56 LYS HG3 2.814 . 3.804 3.734 3.396 3.933 0.129 7 0 "[ . 1 . 2]" 1
351 1 18 LYS H 1 18 LYS QG 3.171 . 4.426 3.498 2.927 3.893 . 0 0 "[ . 1 . 2]" 1
352 1 47 HIS HE1 1 49 LEU QD 2.042 . 2.563 2.084 1.938 2.375 . 0 0 "[ . 1 . 2]" 1
353 1 3 PHE QE 1 4 LEU MD2 2.792 . 3.767 2.709 1.968 3.670 . 0 0 "[ . 1 . 2]" 1
354 1 3 PHE QD 1 4 LEU MD2 2.589 . 3.427 2.768 1.827 3.403 . 0 0 "[ . 1 . 2]" 1
355 1 61 LEU MD1 1 66 GLN H 3.003 . 4.130 3.826 3.461 4.006 . 0 0 "[ . 1 . 2]" 1
356 1 32 TYR QD 1 37 LEU MD1 2.500 . 3.281 3.300 3.217 3.331 0.050 13 0 "[ . 1 . 2]" 1
357 1 32 TYR H 1 37 LEU MD1 3.117 . 4.332 4.387 4.351 4.429 0.097 8 0 "[ . 1 . 2]" 1
358 1 18 LYS HA 1 18 LYS QG 2.851 . 3.768 2.312 2.132 2.444 . 0 0 "[ . 1 . 2]" 1
359 1 33 HIS HA 1 34 PRO HD3 2.655 . 3.536 2.105 2.034 2.134 . 0 0 "[ . 1 . 2]" 1
360 1 33 HIS HA 1 34 PRO HD2 2.685 . 3.586 2.519 2.466 2.714 . 0 0 "[ . 1 . 2]" 1
361 1 63 THR HB 1 64 LYS HG2 3.028 . 4.174 3.960 2.784 4.679 0.505 18 1 "[ . 1 . + 2]" 1
362 1 94 PRO HA 1 97 LEU MD2 2.852 . 3.869 3.190 2.898 3.520 . 0 0 "[ . 1 . 2]" 1
363 1 10 LEU MD1 1 105 VAL HA 2.394 . 3.110 2.199 2.049 2.307 . 0 0 "[ . 1 . 2]" 1
364 1 97 LEU HA 1 97 LEU MD2 2.357 . 3.052 2.885 2.801 2.929 . 0 0 "[ . 1 . 2]" 1
365 1 35 GLU HA 1 38 LEU MD1 2.057 . 2.586 2.339 2.137 2.474 . 0 0 "[ . 1 . 2]" 1
366 1 61 LEU HA 1 61 LEU MD1 2.277 . 2.925 2.095 1.867 3.035 0.110 9 0 "[ . 1 . 2]" 1
367 1 34 PRO HA 1 37 LEU MD1 2.506 . 3.291 2.428 2.258 2.577 . 0 0 "[ . 1 . 2]" 1
368 1 33 HIS HB2 1 34 PRO HD3 3.234 . 4.542 4.618 4.554 4.645 0.103 20 0 "[ . 1 . 2]" 1
369 1 33 HIS HB2 1 34 PRO HD2 3.136 . 4.366 4.191 4.090 4.353 . 0 0 "[ . 1 . 2]" 1
370 1 32 TYR HB2 1 37 LEU MD1 2.605 . 3.453 2.262 2.220 2.345 . 0 0 "[ . 1 . 2]" 1
371 1 35 GLU QG 1 38 LEU MD1 2.245 . 2.823 2.431 2.243 2.866 0.043 4 0 "[ . 1 . 2]" 1
372 1 22 CYS HB2 1 37 LEU MD1 2.504 . 3.287 3.010 2.921 3.105 . 0 0 "[ . 1 . 2]" 1
373 1 22 CYS HB3 1 37 LEU MD1 2.605 . 3.453 3.008 2.777 3.224 . 0 0 "[ . 1 . 2]" 1
374 1 32 TYR HB3 1 37 LEU MD1 2.522 . 3.317 2.408 2.309 2.637 . 0 0 "[ . 1 . 2]" 1
375 1 26 ILE MG 1 34 PRO HD2 3.161 . 4.410 3.605 3.490 3.720 . 0 0 "[ . 1 . 2]" 1
376 1 37 LEU MD1 1 37 LEU HG 2.146 . 2.722 2.117 2.111 2.120 . 0 0 "[ . 1 . 2]" 1
377 1 37 LEU HB3 1 37 LEU MD1 2.344 . 3.031 2.445 2.426 2.468 . 0 0 "[ . 1 . 2]" 1
378 1 49 LEU H 1 49 LEU QD 2.529 . 3.329 2.382 1.659 2.558 0.174 13 0 "[ . 1 . 2]" 1
379 1 10 LEU H 1 10 LEU MD1 2.943 . 3.534 3.416 2.961 3.663 0.129 6 0 "[ . 1 . 2]" 1
380 1 75 LEU H 1 75 LEU MD2 2.535 . 3.338 2.910 2.823 2.967 . 0 0 "[ . 1 . 2]" 1
381 1 10 LEU MD1 1 11 SER H 2.611 . 3.455 3.023 2.821 3.415 . 0 0 "[ . 1 . 2]" 1
382 1 10 LEU MD1 1 106 ASN H 2.796 . 3.773 3.388 3.141 3.463 . 0 0 "[ . 1 . 2]" 1
383 1 75 LEU MD2 1 81 TYR QD 2.569 . 3.394 3.206 3.147 3.232 . 0 0 "[ . 1 . 2]" 1
384 1 75 LEU MD2 1 81 TYR QE 2.564 . 3.386 2.518 2.436 2.544 . 0 0 "[ . 1 . 2]" 1
385 1 75 LEU MD2 1 81 TYR HA 2.567 . 3.391 3.524 3.488 3.560 0.169 4 0 "[ . 1 . 2]" 1
386 1 46 TRP HZ3 1 55 THR HA 2.950 . 4.038 2.527 2.254 2.867 . 0 0 "[ . 1 . 2]" 1
387 1 46 TRP HZ3 1 55 THR MG 3.232 . 3.765 3.564 3.298 3.653 . 0 0 "[ . 1 . 2]" 1
388 1 86 THR H 1 86 THR HB 2.729 . 3.660 2.574 2.511 2.656 . 0 0 "[ . 1 . 2]" 1
389 1 89 THR H 1 89 THR HB 2.601 . 3.447 2.620 2.525 2.711 . 0 0 "[ . 1 . 2]" 1
390 1 75 LEU MD1 1 76 ALA H 2.467 . 3.227 1.766 1.700 1.867 0.007 5 0 "[ . 1 . 2]" 1
391 1 4 LEU MD1 1 5 ASP H 3.188 . 4.458 3.434 2.468 4.115 . 0 0 "[ . 1 . 2]" 1
392 1 75 LEU MD1 1 80 GLY H 3.021 . 4.161 3.484 3.346 3.630 . 0 0 "[ . 1 . 2]" 1
393 1 3 PHE QE 1 4 LEU MD1 3.016 . 4.153 3.828 3.037 4.296 0.143 3 0 "[ . 1 . 2]" 1
394 1 3 PHE QD 1 4 LEU MD1 2.958 . 4.052 3.876 3.113 4.162 0.110 3 0 "[ . 1 . 2]" 1
395 1 75 LEU MD1 1 81 TYR QD 2.882 . 3.920 3.551 3.490 3.641 . 0 0 "[ . 1 . 2]" 1
396 1 75 LEU MD1 1 81 TYR QE 2.637 . 3.420 3.494 3.401 3.534 0.114 9 0 "[ . 1 . 2]" 1
397 1 86 THR HA 1 86 THR HB 2.870 . 3.900 3.021 3.018 3.023 . 0 0 "[ . 1 . 2]" 1
398 1 75 LEU MD1 1 81 TYR HA 2.862 . 3.886 3.378 3.309 3.417 . 0 0 "[ . 1 . 2]" 1
399 1 75 LEU MD1 1 79 GLY HA2 2.573 . 3.401 2.350 2.243 2.466 . 0 0 "[ . 1 . 2]" 1
400 1 45 PHE HB3 1 75 LEU MD1 3.060 . 4.230 4.397 4.369 4.438 0.208 12 0 "[ . 1 . 2]" 1
401 1 4 LEU MD1 1 7 LYS QE 2.991 . 4.109 3.234 1.909 4.149 0.040 7 0 "[ . 1 . 2]" 1
402 1 75 LEU MD1 1 81 TYR QB 3.140 . 4.372 4.474 4.447 4.518 0.146 1 0 "[ . 1 . 2]" 1
403 1 4 LEU MD1 1 5 ASP QB 3.204 . 4.487 4.284 3.604 4.603 0.116 18 0 "[ . 1 . 2]" 1
404 1 89 THR HB 1 103 MET HB3 2.685 . 3.586 1.787 1.740 1.865 0.044 1 0 "[ . 1 . 2]" 1
405 1 86 THR MG 1 87 GLN H 2.333 . 3.013 2.963 2.834 3.105 0.092 4 0 "[ . 1 . 2]" 1
406 1 104 ALA H 1 104 ALA MB 2.229 . 2.850 2.443 2.324 2.479 . 0 0 "[ . 1 . 2]" 1
407 1 86 THR MG 1 105 VAL H 2.649 . 3.526 3.500 3.309 3.588 0.062 3 0 "[ . 1 . 2]" 1
408 1 108 VAL H 1 108 VAL MG1 2.243 . 2.872 1.789 1.708 1.875 . 0 0 "[ . 1 . 2]" 1
409 1 89 THR H 1 104 ALA MB 2.904 . 3.958 3.990 3.904 4.094 0.136 13 0 "[ . 1 . 2]" 1
410 1 104 ALA MB 1 105 VAL H 2.372 . 3.075 3.116 3.071 3.170 0.095 12 0 "[ . 1 . 2]" 1
411 1 29 LEU MD2 1 108 VAL H 3.083 . 4.271 4.089 3.881 4.304 0.033 3 0 "[ . 1 . 2]" 1
412 1 93 ASN H 1 97 LEU MD1 3.014 . 4.150 3.958 3.903 3.992 . 0 0 "[ . 1 . 2]" 1
413 1 97 LEU H 1 97 LEU MD1 2.308 . 2.974 2.841 2.770 2.916 . 0 0 "[ . 1 . 2]" 1
414 1 8 THR H 1 108 VAL MG1 3.062 . 4.234 4.019 3.763 4.235 0.001 8 0 "[ . 1 . 2]" 1
415 1 8 THR H 1 29 LEU MD2 2.795 . 3.771 3.685 3.425 3.860 0.089 4 0 "[ . 1 . 2]" 1
416 1 9 PHE QD 1 108 VAL MG1 2.211 . 2.822 2.796 2.717 2.853 0.031 13 0 "[ . 1 . 2]" 1
417 1 104 ALA MB 1 106 ASN HD22 2.550 . 3.363 2.933 2.342 3.105 . 0 0 "[ . 1 . 2]" 1
418 1 9 PHE QD 1 29 LEU MD2 2.830 . 3.831 3.963 3.916 3.992 0.161 3 0 "[ . 1 . 2]" 1
419 1 86 THR MG 1 106 ASN HD21 3.086 . 4.277 4.176 2.746 4.320 0.043 8 0 "[ . 1 . 2]" 1
420 1 86 THR HG1 1 86 THR MG 2.367 . 3.067 2.183 2.093 2.899 . 0 0 "[ . 1 . 2]" 1
421 1 86 THR MG 1 104 ALA HA 2.621 . 3.480 3.556 3.495 3.656 0.176 13 0 "[ . 1 . 2]" 1
422 1 8 THR HA 1 108 VAL MG1 2.827 . 3.826 3.416 3.317 3.502 . 0 0 "[ . 1 . 2]" 1
423 1 104 ALA HA 1 104 ALA MB 2.148 . 2.725 2.119 2.105 2.124 . 0 0 "[ . 1 . 2]" 1
424 1 86 THR HA 1 86 THR MG 2.360 . 3.056 2.383 2.332 2.419 . 0 0 "[ . 1 . 2]" 1
425 1 84 LEU HA 1 108 VAL MG1 2.827 . 3.826 4.004 3.948 4.070 0.244 19 0 "[ . 1 . 2]" 1
426 1 88 MET HA 1 104 ALA MB 2.458 . 3.213 3.098 3.005 3.160 . 0 0 "[ . 1 . 2]" 1
427 1 107 TYR HA 1 108 VAL MG1 2.686 . 3.588 2.853 2.783 2.905 . 0 0 "[ . 1 . 2]" 1
428 1 7 LYS HA 1 108 VAL MG1 2.725 . 3.653 3.389 2.904 3.718 0.065 7 0 "[ . 1 . 2]" 1
429 1 7 LYS HA 1 29 LEU MD2 2.215 . 2.828 2.549 2.352 2.811 . 0 0 "[ . 1 . 2]" 1
430 1 108 VAL HA 1 108 VAL MG1 2.200 . 2.805 2.765 2.722 2.818 0.013 9 0 "[ . 1 . 2]" 1
431 1 11 SER HB3 1 104 ALA MB 2.890 . 3.934 3.963 3.933 4.013 0.079 6 0 "[ . 1 . 2]" 1
432 1 94 PRO HA 1 97 LEU MD1 2.329 . 3.007 2.484 2.316 2.687 . 0 0 "[ . 1 . 2]" 1
433 1 86 THR HB 1 86 THR MG 2.197 . 2.801 2.133 2.130 2.136 . 0 0 "[ . 1 . 2]" 1
434 1 46 TRP HB2 1 46 TRP HE3 2.921 . 3.987 2.793 2.658 2.965 . 0 0 "[ . 1 . 2]" 1
435 1 46 TRP HB3 1 46 TRP HE3 2.881 . 3.918 2.920 2.735 3.107 . 0 0 "[ . 1 . 2]" 1
436 1 83 TRP HB3 1 83 TRP HE3 2.967 . 4.067 2.578 2.461 2.673 . 0 0 "[ . 1 . 2]" 1
437 1 7 LYS QE 1 108 VAL MG1 2.940 . 4.020 4.047 3.311 4.241 0.221 19 0 "[ . 1 . 2]" 1
438 1 107 TYR QB 1 108 VAL MG1 2.856 . 3.875 3.961 3.927 3.995 0.120 18 0 "[ . 1 . 2]" 1
439 1 92 TYR HB3 1 97 LEU MD1 2.654 . 3.535 2.600 2.488 2.704 . 0 0 "[ . 1 . 2]" 1
440 1 86 THR MG 1 88 MET HG3 2.226 . 2.845 1.957 1.853 2.044 . 0 0 "[ . 1 . 2]" 1
441 1 88 MET HG2 1 104 ALA MB 2.357 . 3.051 2.402 2.036 2.764 . 0 0 "[ . 1 . 2]" 1
442 1 92 TYR HB2 1 97 LEU MD1 2.610 . 3.461 2.374 2.199 2.664 . 0 0 "[ . 1 . 2]" 1
443 1 86 THR MG 1 88 MET ME 2.321 . 2.994 3.059 3.028 3.093 0.099 4 0 "[ . 1 . 2]" 1
444 1 27 THR MG 1 33 HIS HD2 2.569 . 3.394 3.157 2.886 3.306 . 0 0 "[ . 1 . 2]" 1
445 1 83 TRP HE3 1 109 LEU QD 3.251 . 4.572 2.820 2.211 3.236 . 0 0 "[ . 1 . 2]" 1
446 1 102 ILE MG 1 104 ALA MB 2.234 . 2.858 2.592 2.448 2.848 . 0 0 "[ . 1 . 2]" 1
447 1 27 THR MG 1 33 HIS H 3.079 . 4.264 3.710 3.477 4.057 . 0 0 "[ . 1 . 2]" 1
448 1 20 THR H 1 20 THR MG 2.664 . 3.551 2.713 2.598 2.815 . 0 0 "[ . 1 . 2]" 1
449 1 20 THR H 1 38 LEU MD2 2.909 . 3.967 3.222 3.174 3.289 . 0 0 "[ . 1 . 2]" 1
450 1 82 VAL QG 1 84 LEU H 3.060 . 4.230 3.693 3.642 3.811 . 0 0 "[ . 1 . 2]" 1
451 1 14 SER H 1 20 THR MG 2.514 . 3.304 2.773 2.397 3.107 . 0 0 "[ . 1 . 2]" 1
452 1 11 SER H 1 104 ALA MB 2.696 . 3.605 3.361 3.127 3.535 . 0 0 "[ . 1 . 2]" 1
453 1 108 VAL MG2 1 109 LEU H 2.468 . 3.229 3.232 3.131 3.292 0.063 15 0 "[ . 1 . 2]" 1
454 1 74 MET H 1 82 VAL QG 2.468 . 3.229 2.692 2.622 2.798 . 0 0 "[ . 1 . 2]" 1
455 1 108 VAL H 1 108 VAL MG2 2.584 . 3.419 2.963 2.880 3.047 . 0 0 "[ . 1 . 2]" 1
456 1 82 VAL H 1 82 VAL QG 2.100 . 2.651 2.321 2.293 2.346 . 0 0 "[ . 1 . 2]" 1
457 1 30 ILE H 1 31 GLY HA3 3.114 . 4.326 4.452 4.442 4.460 0.134 14 0 "[ . 1 . 2]" 1
458 1 63 THR MG 1 64 LYS H 2.739 . 3.677 3.000 2.881 3.292 . 0 0 "[ . 1 . 2]" 1
459 1 63 THR MG 1 65 GLY H 3.191 . 4.464 4.543 4.488 4.591 0.127 4 0 "[ . 1 . 2]" 1
460 1 82 VAL QG 1 83 TRP H 2.268 . 2.911 1.810 1.736 1.878 . 0 0 "[ . 1 . 2]" 1
461 1 21 TYR H 1 38 LEU MD2 2.604 . 3.451 2.790 2.730 2.839 . 0 0 "[ . 1 . 2]" 1
462 1 27 THR MG 1 31 GLY H 2.678 . 3.575 3.790 3.750 3.832 0.257 7 0 "[ . 1 . 2]" 1
463 1 22 CYS H 1 38 LEU MD2 2.419 . 3.150 2.608 2.538 2.683 . 0 0 "[ . 1 . 2]" 1
464 1 19 PHE HD2 1 38 LEU MD2 2.449 . 3.199 2.656 2.503 2.907 . 0 0 "[ . 1 . 2]" 1
465 1 107 TYR HD1 1 109 LEU QD 2.509 . 3.296 2.613 2.504 2.734 . 0 0 "[ . 1 . 2]" 1
466 1 38 LEU H 1 38 LEU MD2 2.246 . 2.877 2.761 2.690 2.819 . 0 0 "[ . 1 . 2]" 1
467 1 37 LEU MD2 1 45 PHE QE 2.351 . 3.042 2.286 2.108 2.638 . 0 0 "[ . 1 . 2]" 1
468 1 107 TYR QE 1 109 LEU QD 2.752 . 3.699 3.068 2.862 3.196 . 0 0 "[ . 1 . 2]" 1
469 1 71 GLN HE21 1 109 LEU QD 3.140 . 3.480 2.212 1.665 3.115 0.242 8 0 "[ . 1 . 2]" 1
470 1 13 PHE HA 1 20 THR MG 2.684 . 3.585 3.176 2.881 3.368 . 0 0 "[ . 1 . 2]" 1
471 1 27 THR MG 1 32 TYR H 2.897 . 3.946 3.777 3.698 3.893 . 0 0 "[ . 1 . 2]" 1
472 1 74 MET HA 1 82 VAL QG 2.854 . 3.872 3.994 3.966 4.026 0.154 18 0 "[ . 1 . 2]" 1
473 1 32 TYR H 1 37 LEU MD2 3.236 . 4.545 4.671 4.649 4.709 0.164 17 0 "[ . 1 . 2]" 1
474 1 81 TYR HA 1 82 VAL QG 2.418 . 3.149 3.233 3.216 3.247 0.098 9 0 "[ . 1 . 2]" 1
475 1 33 HIS HA 1 33 HIS HD2 2.917 . 3.980 2.686 2.494 3.432 . 0 0 "[ . 1 . 2]" 1
476 1 20 THR HA 1 20 THR MG 2.109 . 2.665 2.372 2.333 2.433 . 0 0 "[ . 1 . 2]" 1
477 1 20 THR HB 1 20 THR MG 2.061 . 2.592 2.133 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
478 1 27 THR MG 1 33 HIS HA 2.639 . 3.510 3.156 3.047 3.334 . 0 0 "[ . 1 . 2]" 1
479 1 20 THR HA 1 38 LEU MD2 2.155 . 2.735 2.778 2.746 2.807 0.072 11 0 "[ . 1 . 2]" 1
480 1 21 TYR HA 1 38 LEU MD2 2.179 . 2.772 2.245 2.180 2.301 . 0 0 "[ . 1 . 2]" 1
481 1 19 PHE HA 1 38 LEU MD2 2.603 . 3.450 3.535 3.470 3.568 0.118 5 0 "[ . 1 . 2]" 1
482 1 32 TYR HA 1 37 LEU MD2 3.029 . 4.176 4.007 3.935 4.182 0.006 8 0 "[ . 1 . 2]" 1
483 1 38 LEU HA 1 38 LEU MD2 2.011 . 2.517 2.020 1.994 2.065 . 0 0 "[ . 1 . 2]" 1
484 1 37 LEU HA 1 37 LEU MD2 2.068 . 2.602 2.266 2.218 2.325 . 0 0 "[ . 1 . 2]" 1
485 1 19 PHE HB2 1 38 LEU MD2 2.417 . 3.147 3.200 3.169 3.254 0.107 19 0 "[ . 1 . 2]" 1
486 1 27 THR MG 1 34 PRO HD3 2.962 . 4.058 4.147 4.095 4.230 0.172 17 0 "[ . 1 . 2]" 1
487 1 78 HIS HB2 1 78 HIS HD2 2.559 . 3.378 2.852 2.719 3.917 0.539 8 2 "[ . + 1 -. 2]" 1
488 1 63 THR MG 1 64 LYS QE 2.522 . 3.317 3.079 2.210 3.433 0.116 19 0 "[ . 1 . 2]" 1
489 1 27 THR MG 1 33 HIS HB2 3.063 . 4.236 3.871 3.620 4.153 . 0 0 "[ . 1 . 2]" 1
490 1 74 MET HG3 1 82 VAL QG 2.872 . 3.903 3.922 3.882 3.944 0.041 5 0 "[ . 1 . 2]" 1
491 1 37 LEU MD2 1 40 ARG HD3 2.773 . 3.734 3.347 2.680 3.848 0.114 18 0 "[ . 1 . 2]" 1
492 1 32 TYR HB2 1 37 LEU MD2 2.674 . 3.568 2.779 2.755 2.832 . 0 0 "[ . 1 . 2]" 1
493 1 19 PHE HB3 1 38 LEU MD2 2.267 . 2.909 1.765 1.735 1.789 . 0 0 "[ . 1 . 2]" 1
494 1 22 CYS HB3 1 38 LEU MD2 2.695 . 3.603 3.639 3.284 3.867 0.264 8 0 "[ . 1 . 2]" 1
495 1 36 GLU HB2 1 37 LEU MD2 2.708 . 3.625 3.240 2.962 3.370 . 0 0 "[ . 1 . 2]" 1
496 1 36 GLU HB3 1 37 LEU MD2 2.636 . 3.505 3.450 3.319 3.545 0.040 1 0 "[ . 1 . 2]" 1
497 1 37 LEU MD2 1 74 MET ME 2.310 . 2.977 3.089 3.044 3.143 0.166 13 0 "[ . 1 . 2]" 1
498 1 32 TYR HB3 1 37 LEU MD2 2.651 . 3.530 2.027 1.952 2.201 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU MD2 1 40 ARG HG3 2.984 . 4.097 4.056 3.819 4.158 0.061 11 0 "[ . 1 . 2]" 1
500 1 77 LYS HB3 1 78 HIS HD2 2.995 . 4.116 2.953 2.827 3.426 . 0 0 "[ . 1 . 2]" 1
501 1 37 LEU MD2 1 37 LEU HG 2.091 . 2.638 2.117 2.114 2.121 . 0 0 "[ . 1 . 2]" 1
502 1 77 LYS HB2 1 78 HIS HD2 3.175 . 4.435 4.563 4.500 4.633 0.198 8 0 "[ . 1 . 2]" 1
503 1 31 GLY HA3 1 77 LYS HB2 3.123 . 4.342 2.580 2.426 2.923 . 0 0 "[ . 1 . 2]" 1
504 1 31 GLY HA2 1 77 LYS HB2 3.071 . 4.250 3.956 3.834 4.305 0.055 8 0 "[ . 1 . 2]" 1
505 1 37 LEU HB3 1 38 LEU MD2 2.871 . 3.901 3.912 3.793 3.953 0.052 8 0 "[ . 1 . 2]" 1
506 1 37 LEU HB3 1 37 LEU MD2 2.357 . 3.051 2.308 2.284 2.335 . 0 0 "[ . 1 . 2]" 1
507 1 37 LEU MD1 1 38 LEU MD2 2.907 . 3.963 3.922 3.820 3.988 0.025 3 0 "[ . 1 . 2]" 1
508 1 90 VAL MG1 1 100 GLN H 2.956 . 4.048 3.759 3.438 4.022 . 0 0 "[ . 1 . 2]" 1
509 1 39 GLY H 1 39 GLY HA3 2.437 . 3.179 2.948 2.945 2.952 . 0 0 "[ . 1 . 2]" 1
510 1 89 THR MG 1 103 MET H 3.022 . 4.164 3.744 3.460 3.930 . 0 0 "[ . 1 . 2]" 1
511 1 68 VAL QG 1 88 MET H 2.601 . 3.447 3.243 2.908 3.566 0.119 4 0 "[ . 1 . 2]" 1
512 1 67 VAL QG 1 88 MET H 2.908 . 3.760 3.295 2.886 3.756 . 0 0 "[ . 1 . 2]" 1
513 1 89 THR MG 1 90 VAL H 2.386 . 3.098 2.665 2.438 2.961 . 0 0 "[ . 1 . 2]" 1
514 1 67 VAL H 1 67 VAL QG 2.817 . 3.809 2.589 2.092 3.200 . 0 0 "[ . 1 . 2]" 1
515 1 105 VAL H 1 105 VAL QG 2.738 . 3.138 2.501 2.383 2.565 . 0 0 "[ . 1 . 2]" 1
516 1 90 VAL H 1 90 VAL MG1 2.730 . 3.662 3.767 3.706 3.793 0.131 15 0 "[ . 1 . 2]" 1
517 1 90 VAL MG1 1 91 ILE H 2.491 . 3.267 2.837 2.720 3.011 . 0 0 "[ . 1 . 2]" 1
518 1 68 VAL H 1 68 VAL QG 2.136 . 2.706 2.658 2.531 2.794 0.088 1 0 "[ . 1 . 2]" 1
519 1 67 VAL QG 1 68 VAL H 2.581 . 3.413 2.343 2.030 3.040 . 0 0 "[ . 1 . 2]" 1
520 1 105 VAL QG 1 106 ASN H 2.516 . 3.307 2.915 2.868 2.947 . 0 0 "[ . 1 . 2]" 1
521 1 8 THR H 1 8 THR MG 2.817 . 3.809 3.955 3.929 3.973 0.164 3 0 "[ . 1 . 2]" 1
522 1 8 THR MG 1 107 TYR QD 2.595 . 3.437 2.645 2.486 2.761 . 0 0 "[ . 1 . 2]" 1
523 1 66 GLN HE22 1 68 VAL MG2 2.725 . 3.653 3.304 2.221 3.671 0.018 12 0 "[ . 1 . 2]" 1
524 1 105 VAL QG 1 107 TYR QD 2.666 . 3.555 1.942 1.874 2.021 . 0 0 "[ . 1 . 2]" 1
525 1 46 TRP HH2 1 55 THR MG 3.149 . 4.388 4.420 4.257 4.480 0.092 10 0 "[ . 1 . 2]" 1
526 1 89 THR HG1 1 89 THR MG 3.174 . 4.433 2.751 2.078 3.044 . 0 0 "[ . 1 . 2]" 1
527 1 55 THR HG1 1 55 THR MG 3.138 . 4.369 3.048 3.029 3.058 . 0 0 "[ . 1 . 2]" 1
528 1 8 THR MG 1 107 TYR HA 2.883 . 3.922 3.052 2.972 3.151 . 0 0 "[ . 1 . 2]" 1
529 1 68 VAL QG 1 87 GLN HA 2.471 . 3.234 2.230 1.948 2.595 . 0 0 "[ . 1 . 2]" 1
530 1 68 VAL HA 1 68 VAL QG 2.128 . 2.694 2.131 2.100 2.151 . 0 0 "[ . 1 . 2]" 1
531 1 67 VAL HA 1 67 VAL QG 2.409 . 3.135 2.185 2.083 2.246 . 0 0 "[ . 1 . 2]" 1
532 1 75 LEU HA 1 81 TYR QE 2.887 . 3.929 3.910 3.858 3.976 0.047 14 0 "[ . 1 . 2]" 1
533 1 90 VAL HA 1 90 VAL MG1 2.415 . 3.144 2.238 2.171 2.294 . 0 0 "[ . 1 . 2]" 1
534 1 47 HIS HA 1 81 TYR QE 2.587 . 3.424 2.734 2.433 2.937 . 0 0 "[ . 1 . 2]" 1
535 1 89 THR HB 1 89 THR MG 2.015 . 2.523 2.108 2.097 2.115 . 0 0 "[ . 1 . 2]" 1
536 1 55 THR HA 1 55 THR MG 2.020 . 2.530 2.386 2.325 2.463 . 0 0 "[ . 1 . 2]" 1
537 1 61 LEU HA 1 67 VAL QG 2.451 . 3.202 2.733 1.719 3.106 . 0 0 "[ . 1 . 2]" 1
538 1 57 SER HB2 1 67 VAL QG 2.631 . 3.496 3.507 2.996 4.078 0.582 6 1 "[ .+ 1 . 2]" 1
539 1 105 VAL HA 1 105 VAL QG 2.293 . 2.847 2.124 2.114 2.131 . 0 0 "[ . 1 . 2]" 1
540 1 90 VAL MG1 1 99 PRO HA 2.566 . 3.389 2.425 2.181 2.746 . 0 0 "[ . 1 . 2]" 1
541 1 90 VAL MG1 1 99 PRO HD3 2.796 . 3.773 3.859 3.779 3.919 0.146 20 0 "[ . 1 . 2]" 1
542 1 55 THR MG 1 58 HIS HB3 2.942 . 4.024 3.557 2.976 4.046 0.022 9 0 "[ . 1 . 2]" 1
543 1 55 THR MG 1 56 LYS QE 2.980 . 4.090 4.155 4.034 4.293 0.203 9 0 "[ . 1 . 2]" 1
544 1 55 THR MG 1 59 GLN HG2 2.551 . 3.365 3.431 2.502 3.766 0.401 20 0 "[ . 1 . 2]" 1
545 1 60 ASN HB2 1 67 VAL QG 2.486 . 3.259 3.140 2.100 3.367 0.108 11 0 "[ . 1 . 2]" 1
546 1 8 THR MG 1 107 TYR QB 2.998 . 4.121 1.966 1.876 2.050 . 0 0 "[ . 1 . 2]" 1
547 1 89 THR MG 1 103 MET QG 2.666 . 3.554 3.715 3.579 3.777 0.223 3 0 "[ . 1 . 2]" 1
548 1 55 THR MG 1 59 GLN HG3 2.752 . 3.699 2.628 2.270 3.015 . 0 0 "[ . 1 . 2]" 1
549 1 68 VAL QG 1 87 GLN QG 2.331 . 3.010 1.827 1.730 2.012 . 0 0 "[ . 1 . 2]" 1
550 1 68 VAL QG 1 87 GLN QB 2.179 . 2.773 2.454 2.060 2.722 . 0 0 "[ . 1 . 2]" 1
551 1 90 VAL MG1 1 99 PRO HG2 2.723 . 3.650 3.079 2.751 3.261 . 0 0 "[ . 1 . 2]" 1
552 1 89 THR MG 1 103 MET HB3 2.294 . 2.952 2.967 2.744 3.060 0.108 18 0 "[ . 1 . 2]" 1
553 1 89 THR MG 1 103 MET HB2 2.532 . 3.333 3.356 3.173 3.501 0.168 19 0 "[ . 1 . 2]" 1
554 1 90 VAL HB 1 90 VAL MG1 2.033 . 2.550 2.121 2.118 2.124 . 0 0 "[ . 1 . 2]" 1
555 1 15 MET ME 1 90 VAL MG1 2.219 . 2.783 2.544 1.803 2.694 . 0 0 "[ . 1 . 2]" 1
556 1 89 THR MG 1 91 ILE MD 2.094 . 2.642 2.500 2.216 2.702 0.060 2 0 "[ . 1 . 2]" 1
557 1 87 GLN H 1 105 VAL QG 3.088 . 4.280 3.682 3.585 3.795 . 0 0 "[ . 1 . 2]" 1
558 1 92 TYR H 1 92 TYR QE 2.857 . 3.877 3.977 3.916 4.016 0.139 4 0 "[ . 1 . 2]" 1
559 1 63 THR HB 1 64 LYS H 2.723 . 3.650 2.155 1.958 2.406 . 0 0 "[ . 1 . 2]" 1
560 1 70 GLY H 1 70 GLY HA2 2.909 . 3.967 2.713 2.382 2.950 . 0 0 "[ . 1 . 2]" 1
561 1 70 GLY H 1 70 GLY HA3 2.993 . 4.113 2.570 2.282 2.963 . 0 0 "[ . 1 . 2]" 1
562 1 63 THR H 1 63 THR HB 2.755 . 3.704 2.581 2.389 2.701 . 0 0 "[ . 1 . 2]" 1
563 1 104 ALA HA 1 105 VAL QG 2.745 . 3.687 3.539 3.461 3.599 . 0 0 "[ . 1 . 2]" 1
564 1 10 LEU HA 1 105 VAL QG 2.721 . 3.647 3.344 3.295 3.396 . 0 0 "[ . 1 . 2]" 1
565 1 11 SER HA 1 21 TYR HE2 2.962 . 4.059 3.606 3.099 3.705 . 0 0 "[ . 1 . 2]" 1
566 1 32 TYR QE 1 76 ALA HA 2.517 . 3.309 2.975 2.932 3.029 . 0 0 "[ . 1 . 2]" 1
567 1 21 TYR HE2 1 22 CYS HA 2.942 . 4.024 3.842 3.654 3.970 . 0 0 "[ . 1 . 2]" 1
568 1 92 TYR QE 1 99 PRO HD3 2.650 . 3.528 2.610 2.536 2.672 . 0 0 "[ . 1 . 2]" 1
569 1 13 PHE HB3 1 17 MET HA 2.995 . 4.117 2.166 1.851 2.778 0.022 6 0 "[ . 1 . 2]" 1
570 1 21 TYR HE2 1 23 ASP HB2 2.880 . 3.917 2.790 2.690 2.965 . 0 0 "[ . 1 . 2]" 1
571 1 92 TYR QE 1 99 PRO HG2 2.631 . 3.496 3.499 3.315 3.612 0.116 17 0 "[ . 1 . 2]" 1
572 1 87 GLN QG 1 107 TYR QE 3.051 . 4.214 3.115 1.952 4.403 0.189 17 0 "[ . 1 . 2]" 1
573 1 92 TYR QE 1 99 PRO HG3 2.422 . 3.155 2.475 2.182 2.856 . 0 0 "[ . 1 . 2]" 1
574 1 90 VAL HB 1 92 TYR QE 2.331 . 3.010 2.238 2.129 2.394 . 0 0 "[ . 1 . 2]" 1
575 1 105 VAL HB 1 107 TYR QE 2.600 . 3.445 3.506 3.452 3.599 0.154 9 0 "[ . 1 . 2]" 1
576 1 13 PHE HB2 1 102 ILE HB 2.900 . 3.951 1.911 1.834 2.093 0.015 8 0 "[ . 1 . 2]" 1
577 1 87 GLN QB 1 105 VAL QG 2.542 . 3.350 2.896 2.749 2.997 . 0 0 "[ . 1 . 2]" 1
578 1 105 VAL HB 1 105 VAL QG 2.073 . 2.610 1.895 1.893 1.898 . 0 0 "[ . 1 . 2]" 1
579 1 13 PHE HB3 1 102 ILE HB 2.913 . 3.974 3.443 3.339 3.527 . 0 0 "[ . 1 . 2]" 1
580 1 90 VAL MG2 1 92 TYR QE 2.571 . 3.397 3.464 3.296 3.543 0.146 17 0 "[ . 1 . 2]" 1
581 1 13 PHE HB3 1 102 ILE MD 2.853 . 3.870 2.712 2.460 2.889 . 0 0 "[ . 1 . 2]" 1
582 1 90 VAL MG1 1 92 TYR QE 2.373 . 3.077 3.023 2.878 3.145 0.068 17 0 "[ . 1 . 2]" 1
583 1 105 VAL QG 1 107 TYR QE 2.393 . 3.109 2.847 2.678 3.074 . 0 0 "[ . 1 . 2]" 1
584 1 32 TYR QE 1 77 LYS HB2 3.004 . 4.132 3.957 3.737 4.036 . 0 0 "[ . 1 . 2]" 1
585 1 32 TYR QE 1 37 LEU MD2 2.856 . 3.875 3.648 3.481 3.743 . 0 0 "[ . 1 . 2]" 1
586 1 10 LEU H 1 10 LEU HB3 2.984 . 4.097 3.405 3.198 3.469 . 0 0 "[ . 1 . 2]" 1
587 1 80 GLY HA2 1 81 TYR H 2.452 . 3.204 3.098 3.048 3.137 . 0 0 "[ . 1 . 2]" 1
588 1 76 ALA MB 1 81 TYR H 2.965 . 3.712 2.545 2.469 2.632 . 0 0 "[ . 1 . 2]" 1
589 1 29 LEU HB3 1 30 ILE H 3.082 . 4.270 3.954 3.940 3.972 . 0 0 "[ . 1 . 2]" 1
590 1 79 GLY HA3 1 80 GLY H 2.495 . 3.273 3.407 3.357 3.447 0.174 9 0 "[ . 1 . 2]" 1
591 1 79 GLY HA2 1 80 GLY H 2.497 . 3.277 3.121 2.974 3.240 . 0 0 "[ . 1 . 2]" 1
592 1 50 ASP H 1 50 ASP HB2 2.910 . 3.968 2.807 2.507 3.105 . 0 0 "[ . 1 . 2]" 1
593 1 76 ALA MB 1 80 GLY H 3.029 . 4.176 2.303 2.211 2.414 . 0 0 "[ . 1 . 2]" 1
594 1 30 ILE MG 1 31 GLY H 2.795 . 3.772 3.892 3.870 3.912 0.140 19 0 "[ . 1 . 2]" 1
595 1 29 LEU H 1 29 LEU HB3 2.805 . 3.788 3.562 3.545 3.595 . 0 0 "[ . 1 . 2]" 1
596 1 10 LEU HB2 1 21 TYR HE2 3.058 . 4.227 2.474 2.172 3.222 . 0 0 "[ . 1 . 2]" 1
597 1 10 LEU HB3 1 21 TYR HE2 3.092 . 4.287 2.192 1.958 2.519 . 0 0 "[ . 1 . 2]" 1
598 1 76 ALA MB 1 77 LYS H 2.273 . 2.919 2.475 2.375 2.602 . 0 0 "[ . 1 . 2]" 1
599 1 30 ILE MG 1 32 TYR QE 2.113 . 2.671 2.059 1.958 2.108 . 0 0 "[ . 1 . 2]" 1
600 1 30 ILE MG 1 32 TYR QD 2.231 . 2.853 2.284 2.238 2.337 . 0 0 "[ . 1 . 2]" 1
601 1 10 LEU HA 1 10 LEU HB3 2.851 . 3.867 2.648 2.559 2.836 . 0 0 "[ . 1 . 2]" 1
602 1 29 LEU HA 1 29 LEU HB2 2.843 . 3.853 2.988 2.985 2.991 . 0 0 "[ . 1 . 2]" 1
603 1 76 ALA MB 1 80 GLY HA3 2.465 . 3.225 2.637 2.472 2.759 . 0 0 "[ . 1 . 2]" 1
604 1 76 ALA MB 1 79 GLY HA2 3.171 . 4.428 4.510 4.480 4.543 0.115 17 0 "[ . 1 . 2]" 1
605 1 76 ALA MB 1 81 TYR QB 3.048 . 4.209 4.151 4.097 4.230 0.021 17 0 "[ . 1 . 2]" 1
606 1 76 ALA MB 1 82 VAL HB 2.391 . 3.106 2.933 2.807 3.032 . 0 0 "[ . 1 . 2]" 1
607 1 55 THR HB 1 55 THR MG 2.088 . 2.633 2.132 2.127 2.138 . 0 0 "[ . 1 . 2]" 1
608 1 30 ILE MD 1 32 TYR QE 2.478 . 3.246 3.273 3.224 3.313 0.067 2 0 "[ . 1 . 2]" 1
609 1 80 GLY HA3 1 112 ILE MG 2.674 . 3.568 2.593 2.349 2.813 . 0 0 "[ . 1 . 2]" 1
610 1 10 LEU HB2 1 10 LEU MD2 2.586 . 3.422 2.251 2.156 2.304 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU HB2 1 29 LEU MD1 2.520 . 3.314 2.223 2.206 2.241 . 0 0 "[ . 1 . 2]" 1
612 1 29 LEU HB3 1 29 LEU MD2 2.472 . 3.236 2.278 2.268 2.287 . 0 0 "[ . 1 . 2]" 1
613 1 29 LEU HB3 1 29 LEU MD1 2.530 . 3.330 2.545 2.522 2.568 . 0 0 "[ . 1 . 2]" 1
614 1 32 TYR QE 1 77 LYS QG 2.668 . 3.558 3.684 3.224 3.804 0.246 18 0 "[ . 1 . 2]" 1
615 1 26 ILE MD 1 32 TYR QE 3.038 . 4.191 4.326 4.254 4.370 0.179 13 0 "[ . 1 . 2]" 1
616 1 30 ILE MG 1 77 LYS HB2 2.994 . 4.115 3.834 3.677 3.941 . 0 0 "[ . 1 . 2]" 1
617 1 40 ARG HD3 1 41 SER H 3.158 . 4.404 3.794 3.239 4.293 . 0 0 "[ . 1 . 2]" 1
618 1 30 ILE MG 1 76 ALA H 2.827 . 3.826 3.913 3.898 3.931 0.105 11 0 "[ . 1 . 2]" 1
619 1 23 ASP HB3 1 24 ASP H 2.735 . 3.670 3.753 3.717 3.801 0.131 14 0 "[ . 1 . 2]" 1
620 1 23 ASP H 1 23 ASP HB3 2.599 . 3.443 2.398 2.355 2.449 . 0 0 "[ . 1 . 2]" 1
621 1 48 ALA MB 1 50 ASP H 2.896 . 3.944 4.107 4.057 4.166 0.222 17 0 "[ . 1 . 2]" 1
622 1 21 TYR HE2 1 23 ASP HB3 2.911 . 3.970 4.063 4.020 4.110 0.140 8 0 "[ . 1 . 2]" 1
623 1 9 PHE QD 1 23 ASP HB3 2.996 . 4.118 4.130 3.836 4.205 0.087 13 0 "[ . 1 . 2]" 1
624 1 40 ARG HD2 1 45 PHE HZ 2.639 . 3.510 2.497 2.004 3.087 . 0 0 "[ . 1 . 2]" 1
625 1 40 ARG HD3 1 45 PHE HZ 2.765 . 3.721 2.205 1.853 2.492 . 0 0 "[ . 1 . 2]" 1
626 1 46 TRP HH2 1 55 THR HA 3.152 . 4.394 3.094 2.829 3.626 . 0 0 "[ . 1 . 2]" 1
627 1 30 ILE MG 1 32 TYR H 2.752 . 3.698 3.407 3.334 3.465 . 0 0 "[ . 1 . 2]" 1
628 1 9 PHE HA 1 23 ASP HB3 2.987 . 4.102 2.717 2.463 2.969 . 0 0 "[ . 1 . 2]" 1
629 1 23 ASP HA 1 23 ASP HB2 2.536 . 3.340 2.393 2.369 2.411 . 0 0 "[ . 1 . 2]" 1
630 1 23 ASP HA 1 23 ASP HB3 2.496 . 3.275 3.013 3.006 3.020 . 0 0 "[ . 1 . 2]" 1
631 1 25 ARG HA 1 25 ARG HD2 2.786 . 3.757 3.336 3.118 3.560 . 0 0 "[ . 1 . 2]" 1
632 1 25 ARG HA 1 25 ARG HD3 2.688 . 3.591 2.083 1.905 2.249 . 0 0 "[ . 1 . 2]" 1
633 1 72 TYR QE 1 86 THR HB 2.636 . 3.505 2.383 2.193 2.828 . 0 0 "[ . 1 . 2]" 1
634 1 37 LEU HA 1 40 ARG HD2 2.651 . 3.530 2.503 2.093 2.934 . 0 0 "[ . 1 . 2]" 1
635 1 37 LEU HA 1 40 ARG HD3 2.694 . 3.601 3.230 2.514 3.747 0.146 20 0 "[ . 1 . 2]" 1
636 1 30 ILE MG 1 74 MET HG3 2.923 . 3.991 3.914 3.742 4.001 0.010 8 0 "[ . 1 . 2]" 1
637 1 30 ILE MG 1 74 MET HG2 2.726 . 3.655 2.520 2.354 2.671 . 0 0 "[ . 1 . 2]" 1
638 1 30 ILE MG 1 32 TYR HB2 2.922 . 3.989 3.973 3.922 4.037 0.048 17 0 "[ . 1 . 2]" 1
639 1 72 TYR QE 1 74 MET HB2 2.888 . 3.930 2.039 1.918 2.140 . 0 0 "[ . 1 . 2]" 1
640 1 72 TYR QE 1 74 MET HB3 2.882 . 3.920 3.741 3.623 3.847 . 0 0 "[ . 1 . 2]" 1
641 1 25 ARG HD2 1 25 ARG QG 2.093 . 2.641 2.296 2.163 2.373 . 0 0 "[ . 1 . 2]" 1
642 1 25 ARG HD3 1 25 ARG QG 2.032 . 2.548 2.358 2.272 2.456 . 0 0 "[ . 1 . 2]" 1
643 1 10 LEU HB2 1 23 ASP HB3 2.909 . 3.967 3.214 2.908 3.563 . 0 0 "[ . 1 . 2]" 1
644 1 40 ARG HD2 1 40 ARG HG2 2.376 . 3.082 2.408 2.355 2.491 . 0 0 "[ . 1 . 2]" 1
645 1 40 ARG HD3 1 40 ARG HG2 2.411 . 3.138 2.771 2.476 3.005 . 0 0 "[ . 1 . 2]" 1
646 1 40 ARG HD2 1 40 ARG HG3 2.368 . 3.069 2.672 2.359 3.003 . 0 0 "[ . 1 . 2]" 1
647 1 40 ARG HD3 1 40 ARG HG3 2.436 . 3.178 2.422 2.380 2.503 . 0 0 "[ . 1 . 2]" 1
648 1 72 TYR QE 1 86 THR MG 2.664 . 3.551 3.671 3.612 3.723 0.172 18 0 "[ . 1 . 2]" 1
649 1 54 MET ME 1 72 TYR QE 2.780 . 3.746 2.615 2.438 2.764 . 0 0 "[ . 1 . 2]" 1
650 1 25 ARG HD2 1 29 LEU MD1 2.856 . 3.876 3.182 2.876 3.910 0.034 17 0 "[ . 1 . 2]" 1
651 1 25 ARG HD3 1 29 LEU MD2 3.069 . 4.246 3.954 3.577 4.141 . 0 0 "[ . 1 . 2]" 1
652 1 48 ALA MB 1 49 LEU H 2.400 . 3.120 2.493 2.313 2.690 . 0 0 "[ . 1 . 2]" 1
653 1 37 LEU MD2 1 40 ARG HD2 2.909 . 3.967 2.965 2.388 3.667 . 0 0 "[ . 1 . 2]" 1
654 1 42 ALA MB 1 46 TRP HE1 3.053 . 4.218 2.552 2.375 2.877 . 0 0 "[ . 1 . 2]" 1
655 1 89 THR H 1 102 ILE MG 2.594 . 3.273 2.280 2.053 2.636 . 0 0 "[ . 1 . 2]" 1
656 1 95 ARG H 1 95 ARG QD 3.017 . 4.155 2.743 1.845 4.088 0.034 4 0 "[ . 1 . 2]" 1
657 1 4 LEU H 1 4 LEU HB2 2.912 . 3.972 3.445 2.060 4.096 0.124 19 0 "[ . 1 . 2]" 1
658 1 4 LEU H 1 4 LEU HB3 2.983 . 4.095 3.303 2.515 4.096 0.001 11 0 "[ . 1 . 2]" 1
659 1 42 ALA H 1 42 ALA MB 2.375 . 3.080 2.177 2.096 2.244 . 0 0 "[ . 1 . 2]" 1
660 1 55 THR HA 1 58 HIS H 2.947 . 4.032 3.375 3.101 3.553 . 0 0 "[ . 1 . 2]" 1
661 1 45 PHE H 1 74 MET ME 2.819 . 3.812 3.964 3.926 4.007 0.195 17 0 "[ . 1 . 2]" 1
662 1 42 ALA MB 1 43 SER H 2.579 . 3.411 2.621 2.368 2.850 . 0 0 "[ . 1 . 2]" 1
663 1 11 SER HB3 1 19 PHE HE2 2.851 . 3.867 2.775 2.293 2.944 . 0 0 "[ . 1 . 2]" 1
664 1 11 SER HB2 1 19 PHE HE2 2.900 . 3.951 2.735 2.498 3.208 . 0 0 "[ . 1 . 2]" 1
665 1 95 ARG QD 1 96 ASN H 3.179 . 4.442 4.327 3.851 4.673 0.231 18 0 "[ . 1 . 2]" 1
666 1 45 PHE QD 1 74 MET ME 2.059 . 2.589 2.039 1.946 2.326 . 0 0 "[ . 1 . 2]" 1
667 1 32 TYR QE 1 74 MET ME 2.085 . 2.628 2.655 2.591 2.698 0.070 17 0 "[ . 1 . 2]" 1
668 1 13 PHE HZ 1 42 ALA MB 2.676 . 3.571 2.275 2.075 2.614 . 0 0 "[ . 1 . 2]" 1
669 1 32 TYR QD 1 74 MET ME 2.328 . 3.005 2.740 2.588 2.949 . 0 0 "[ . 1 . 2]" 1
670 1 13 PHE QD 1 102 ILE MG 2.564 . 3.385 2.909 2.604 3.076 . 0 0 "[ . 1 . 2]" 1
671 1 102 ILE MG 1 104 ALA HA 3.020 . 4.160 3.479 3.331 3.659 . 0 0 "[ . 1 . 2]" 1
672 1 102 ILE MG 1 103 MET HA 3.148 . 4.387 3.853 3.679 4.062 . 0 0 "[ . 1 . 2]" 1
673 1 109 LEU HA 1 109 LEU QB 2.467 . 3.228 2.349 2.338 2.362 . 0 0 "[ . 1 . 2]" 1
674 1 102 ILE HA 1 102 ILE MG 2.363 . 3.061 2.405 2.339 2.444 . 0 0 "[ . 1 . 2]" 1
675 1 95 ARG HA 1 95 ARG QD 2.481 . 3.250 2.577 1.754 3.611 0.361 11 0 "[ . 1 . 2]" 1
676 1 42 ALA HA 1 74 MET ME 2.781 . 3.748 3.616 3.355 3.791 0.043 20 0 "[ . 1 . 2]" 1
677 1 55 THR HA 1 58 HIS HB3 2.943 . 4.025 3.311 2.733 3.956 . 0 0 "[ . 1 . 2]" 1
678 1 45 PHE HB2 1 74 MET ME 2.267 . 2.909 2.118 2.055 2.186 . 0 0 "[ . 1 . 2]" 1
679 1 55 THR HA 1 58 HIS HB2 3.021 . 4.162 3.872 3.395 4.199 0.037 5 0 "[ . 1 . 2]" 1
680 1 74 MET ME 1 74 MET HG3 2.047 . 2.571 2.498 2.473 2.531 . 0 0 "[ . 1 . 2]" 1
681 1 74 MET ME 1 74 MET HG2 2.060 . 2.591 2.523 2.503 2.539 . 0 0 "[ . 1 . 2]" 1
682 1 13 PHE HB2 1 102 ILE MG 2.825 . 3.822 3.004 2.763 3.211 . 0 0 "[ . 1 . 2]" 1
683 1 88 MET HG2 1 102 ILE MG 2.586 . 3.422 2.790 2.553 3.032 . 0 0 "[ . 1 . 2]" 1
684 1 88 MET HB3 1 102 ILE MG 2.422 . 3.155 2.219 2.103 2.523 . 0 0 "[ . 1 . 2]" 1
685 1 18 LYS QD 1 18 LYS QE 2.026 . 2.539 2.058 1.989 2.091 . 0 0 "[ . 1 . 2]" 1
686 1 102 ILE HB 1 102 ILE MG 2.050 . 2.575 2.128 2.121 2.132 . 0 0 "[ . 1 . 2]" 1
687 1 18 LYS QE 1 18 LYS QG 2.324 . 2.999 2.206 2.114 2.403 . 0 0 "[ . 1 . 2]" 1
688 1 30 ILE MG 1 74 MET ME 2.180 . 2.774 2.767 2.686 2.809 0.035 6 0 "[ . 1 . 2]" 1
689 1 30 ILE MD 1 74 MET ME 1.955 . 2.433 2.269 2.215 2.304 . 0 0 "[ . 1 . 2]" 1
690 1 26 ILE MD 1 74 MET ME 2.090 . 2.636 2.581 2.452 2.683 0.047 14 0 "[ . 1 . 2]" 1
691 1 37 LEU MD1 1 74 MET ME 2.173 . 2.763 2.958 2.913 3.008 0.245 5 0 "[ . 1 . 2]" 1
692 1 9 PHE HB3 1 10 LEU H 3.003 . 4.130 4.160 4.123 4.205 0.075 6 0 "[ . 1 . 2]" 1
693 1 103 MET ME 1 104 ALA H 2.618 . 3.475 2.009 1.759 2.350 0.002 18 0 "[ . 1 . 2]" 1
694 1 11 SER H 1 103 MET ME 2.853 . 3.870 2.800 2.545 3.059 . 0 0 "[ . 1 . 2]" 1
695 1 112 ILE MG 1 113 GLU H 2.179 . 2.772 2.073 1.973 2.214 . 0 0 "[ . 1 . 2]" 1
696 1 91 ILE MG 1 92 TYR H 2.587 . 3.424 3.040 2.963 3.132 . 0 0 "[ . 1 . 2]" 1
697 1 91 ILE H 1 91 ILE MG 2.748 . 3.692 3.787 3.769 3.803 0.111 9 0 "[ . 1 . 2]" 1
698 1 81 TYR H 1 112 ILE MG 2.243 . 2.872 2.192 1.919 2.494 . 0 0 "[ . 1 . 2]" 1
699 1 56 LYS H 1 56 LYS QE 2.998 . 4.122 3.786 3.602 3.873 . 0 0 "[ . 1 . 2]" 1
700 1 80 GLY H 1 112 ILE MG 2.936 . 4.013 3.709 3.623 3.791 . 0 0 "[ . 1 . 2]" 1
701 1 91 ILE MG 1 101 CYS H 3.090 . 4.283 3.763 3.442 4.227 . 0 0 "[ . 1 . 2]" 1
702 1 9 PHE HB3 1 9 PHE QD 2.723 . 3.650 2.480 2.415 2.517 . 0 0 "[ . 1 . 2]" 1
703 1 9 PHE HB2 1 9 PHE QD 2.637 . 3.506 2.270 2.250 2.307 . 0 0 "[ . 1 . 2]" 1
704 1 21 TYR QD 1 103 MET ME 2.894 . 3.941 3.643 3.298 3.966 0.025 18 0 "[ . 1 . 2]" 1
705 1 91 ILE MG 1 92 TYR QD 3.201 . 4.482 4.382 4.279 4.485 0.003 4 0 "[ . 1 . 2]" 1
706 1 13 PHE QD 1 102 ILE HB 3.102 . 4.305 3.182 2.723 3.629 . 0 0 "[ . 1 . 2]" 1
707 1 106 ASN HB3 1 106 ASN HD21 2.954 . 4.045 3.429 3.411 3.516 . 0 0 "[ . 1 . 2]" 1
708 1 106 ASN HB2 1 106 ASN HD21 3.034 . 4.184 2.218 2.164 2.873 . 0 0 "[ . 1 . 2]" 1
709 1 103 MET ME 1 104 ALA HA 3.196 . 4.473 4.217 4.018 4.487 0.014 3 0 "[ . 1 . 2]" 1
710 1 12 ARG HA 1 103 MET ME 3.031 . 4.179 3.303 3.059 3.571 . 0 0 "[ . 1 . 2]" 1
711 1 10 LEU HA 1 103 MET ME 2.913 . 3.974 3.637 3.215 3.943 . 0 0 "[ . 1 . 2]" 1
712 1 81 TYR HA 1 112 ILE MG 3.181 . 4.446 4.195 4.090 4.377 . 0 0 "[ . 1 . 2]" 1
713 1 103 MET HA 1 103 MET ME 2.634 . 3.502 1.965 1.855 2.116 . 0 0 "[ . 1 . 2]" 1
714 1 21 TYR HA 1 21 TYR HB2 2.692 . 3.598 2.414 2.393 2.424 . 0 0 "[ . 1 . 2]" 1
715 1 112 ILE MG 1 113 GLU HA 2.467 . 3.228 3.101 2.845 3.296 0.068 7 0 "[ . 1 . 2]" 1
716 1 91 ILE HA 1 91 ILE MG 2.347 . 3.036 2.354 2.300 2.418 . 0 0 "[ . 1 . 2]" 1
717 1 112 ILE HA 1 112 ILE MG 1.994 . 2.491 2.513 2.484 2.540 0.049 17 0 "[ . 1 . 2]" 1
718 1 12 ARG QD 1 103 MET ME 2.705 . 3.620 3.231 2.876 3.471 . 0 0 "[ . 1 . 2]" 1
719 1 22 CYS HB2 1 34 PRO HA 2.646 . 3.521 2.968 2.505 3.532 0.011 11 0 "[ . 1 . 2]" 1
720 1 22 CYS HB3 1 34 PRO HA 2.623 . 3.483 2.942 1.921 3.737 0.254 10 0 "[ . 1 . 2]" 1
721 1 52 GLU HG3 1 56 LYS QE 2.527 . 3.325 2.587 2.196 2.924 . 0 0 "[ . 1 . 2]" 1
722 1 52 GLU HG2 1 56 LYS QE 2.374 . 3.078 2.133 1.942 2.613 . 0 0 "[ . 1 . 2]" 1
723 1 112 ILE MG 1 113 GLU HG2 2.979 . 4.089 4.214 4.043 4.299 0.210 11 0 "[ . 1 . 2]" 1
724 1 112 ILE MG 1 113 GLU HG3 2.788 . 3.760 3.882 3.743 4.210 0.450 10 0 "[ . 1 . 2]" 1
725 1 34 PRO HA 1 34 PRO HB3 2.131 . 2.699 2.302 2.294 2.311 . 0 0 "[ . 1 . 2]" 1
726 1 34 PRO HA 1 34 PRO HB2 2.336 . 3.018 2.989 2.974 2.998 . 0 0 "[ . 1 . 2]" 1
727 1 56 LYS QE 1 56 LYS HG3 2.118 . 2.679 2.675 2.280 2.923 0.244 14 0 "[ . 1 . 2]" 1
728 1 7 LYS QE 1 7 LYS HG3 2.274 . 2.921 2.326 2.160 2.964 0.043 20 0 "[ . 1 . 2]" 1
729 1 76 ALA MB 1 112 ILE MG 2.088 . 2.633 2.180 2.094 2.243 . 0 0 "[ . 1 . 2]" 1
730 1 7 LYS QE 1 29 LEU MD2 2.487 . 3.260 2.561 1.956 3.267 0.007 2 0 "[ . 1 . 2]" 1
731 1 9 PHE HB3 1 29 LEU MD1 2.995 . 4.116 2.360 2.123 2.473 . 0 0 "[ . 1 . 2]" 1
732 1 112 ILE MG 1 114 LYS QE 2.275 . 2.922 2.135 1.907 2.699 . 0 0 "[ . 1 . 2]" 1
733 1 26 ILE MG 1 34 PRO HA 2.528 . 3.327 2.502 2.409 2.611 . 0 0 "[ . 1 . 2]" 1
734 1 37 LEU HB3 1 37 LEU HG 2.822 . 3.817 3.020 3.013 3.024 . 0 0 "[ . 1 . 2]" 1
735 1 26 ILE MD 1 34 PRO HA 2.892 . 3.937 3.977 3.804 4.070 0.133 20 0 "[ . 1 . 2]" 1
736 1 77 LYS HB2 1 77 LYS QE 3.087 . 4.278 3.774 3.192 3.924 . 0 0 "[ . 1 . 2]" 1
737 1 37 LEU HB2 1 37 LEU MD1 2.528 . 3.327 2.247 2.225 2.274 . 0 0 "[ . 1 . 2]" 1
738 1 37 LEU HB2 1 37 LEU MD2 2.649 . 3.526 3.190 3.185 3.194 . 0 0 "[ . 1 . 2]" 1
739 1 88 MET H 1 88 MET ME 2.889 . 3.932 3.490 3.325 3.656 . 0 0 "[ . 1 . 2]" 1
740 1 38 LEU HB3 1 39 GLY H 3.123 . 4.342 3.677 3.591 3.759 . 0 0 "[ . 1 . 2]" 1
741 1 72 TYR HB3 1 73 ARG H 3.070 . 4.248 3.774 3.601 3.942 . 0 0 "[ . 1 . 2]" 1
742 1 5 ASP H 1 5 ASP QB 2.920 . 3.986 2.318 2.208 2.499 . 0 0 "[ . 1 . 2]" 1
743 1 58 HIS H 1 88 MET ME 3.059 . 4.229 3.290 2.754 3.792 . 0 0 "[ . 1 . 2]" 1
744 1 21 TYR HB2 1 22 CYS H 3.205 . 4.489 3.947 3.923 3.987 . 0 0 "[ . 1 . 2]" 1
745 1 37 LEU H 1 38 LEU HB2 3.044 . 4.202 4.281 4.260 4.307 0.105 13 0 "[ . 1 . 2]" 1
746 1 30 ILE HB 1 32 TYR QE 2.920 . 3.986 3.809 3.740 3.870 . 0 0 "[ . 1 . 2]" 1
747 1 72 TYR HA 1 72 TYR HB3 2.858 . 3.879 2.506 2.471 2.541 . 0 0 "[ . 1 . 2]" 1
748 1 72 TYR HA 1 72 TYR HB2 2.958 . 4.052 2.397 2.368 2.444 . 0 0 "[ . 1 . 2]" 1
749 1 87 GLN HA 1 88 MET ME 3.099 . 4.299 4.388 4.322 4.460 0.161 16 0 "[ . 1 . 2]" 1
750 1 49 LEU HA 1 49 LEU HB2 2.661 . 3.546 2.993 2.980 3.011 . 0 0 "[ . 1 . 2]" 1
751 1 58 HIS HA 1 88 MET ME 2.795 . 3.772 3.076 2.777 3.389 . 0 0 "[ . 1 . 2]" 1
752 1 86 THR HB 1 88 MET ME 2.741 . 3.680 3.465 3.198 3.699 0.019 13 0 "[ . 1 . 2]" 1
753 1 35 GLU HA 1 38 LEU HB3 2.823 . 3.819 3.729 3.621 3.794 . 0 0 "[ . 1 . 2]" 1
754 1 38 LEU HA 1 38 LEU HB3 2.719 . 3.643 2.456 2.439 2.470 . 0 0 "[ . 1 . 2]" 1
755 1 38 LEU HA 1 38 LEU HB2 2.604 . 3.452 3.012 3.009 3.017 . 0 0 "[ . 1 . 2]" 1
756 1 26 ILE HA 1 30 ILE HB 3.258 . 4.585 4.398 4.296 4.499 . 0 0 "[ . 1 . 2]" 1
757 1 73 ARG QD 1 83 TRP HZ2 3.114 . 4.326 3.144 2.268 3.773 . 0 0 "[ . 1 . 2]" 1
758 1 38 LEU HB2 1 38 LEU MD1 2.209 . 2.819 2.482 2.434 2.517 . 0 0 "[ . 1 . 2]" 1
759 1 38 LEU HB3 1 38 LEU MD2 2.464 . 3.223 2.513 2.491 2.532 . 0 0 "[ . 1 . 2]" 1
760 1 38 LEU HB2 1 38 LEU MD2 2.390 . 3.104 3.168 3.161 3.174 0.070 1 0 "[ . 1 . 2]" 1
761 1 26 ILE MD 1 30 ILE HB 2.709 . 3.626 3.352 3.279 3.431 . 0 0 "[ . 1 . 2]" 1
762 1 49 LEU H 1 49 LEU HB3 2.870 . 3.899 3.529 3.509 3.550 . 0 0 "[ . 1 . 2]" 1
763 1 33 HIS HE1 1 35 GLU H 2.773 . 3.734 3.846 3.810 3.888 0.154 13 0 "[ . 1 . 2]" 1
764 1 45 PHE HB3 1 75 LEU H 3.299 . 4.659 2.191 2.055 2.336 . 0 0 "[ . 1 . 2]" 1
765 1 14 SER H 1 14 SER HB3 2.903 . 3.957 2.820 2.422 3.604 . 0 0 "[ . 1 . 2]" 1
766 1 72 TYR HB2 1 73 ARG H 3.170 . 4.426 2.371 2.102 2.614 . 0 0 "[ . 1 . 2]" 1
767 1 92 TYR HB3 1 93 ASN H 2.738 . 3.675 2.736 2.520 2.917 . 0 0 "[ . 1 . 2]" 1
768 1 45 PHE HB2 1 45 PHE QD 2.708 . 3.625 2.310 2.285 2.374 . 0 0 "[ . 1 . 2]" 1
769 1 72 TYR HB3 1 72 TYR QD 2.923 . 3.991 2.411 2.380 2.468 . 0 0 "[ . 1 . 2]" 1
770 1 45 PHE HB3 1 45 PHE QD 2.668 . 3.558 2.472 2.378 2.517 . 0 0 "[ . 1 . 2]" 1
771 1 72 TYR HB2 1 72 TYR QD 3.109 . 4.317 2.390 2.348 2.422 . 0 0 "[ . 1 . 2]" 1
772 1 9 PHE QD 1 26 ILE MG 2.806 . 3.790 3.861 3.827 3.907 0.117 14 0 "[ . 1 . 2]" 1
773 1 26 ILE MG 1 32 TYR H 2.959 . 4.053 4.129 4.087 4.154 0.101 6 0 "[ . 1 . 2]" 1
774 1 14 SER HA 1 14 SER HB2 2.553 . 3.368 2.618 2.449 3.037 . 0 0 "[ . 1 . 2]" 1
775 1 14 SER HA 1 14 SER HB3 2.434 . 3.174 2.742 2.404 3.040 . 0 0 "[ . 1 . 2]" 1
776 1 26 ILE MG 1 33 HIS HA 2.863 . 3.888 3.185 3.057 3.278 . 0 0 "[ . 1 . 2]" 1
777 1 24 ASP HA 1 26 ILE MG 2.508 . 3.294 2.494 2.309 2.798 . 0 0 "[ . 1 . 2]" 1
778 1 19 PHE HB3 1 38 LEU HA 2.933 . 4.008 1.998 1.952 2.067 . 0 0 "[ . 1 . 2]" 1
779 1 26 ILE MG 1 27 THR HB 2.783 . 3.751 3.909 3.889 3.927 0.176 2 0 "[ . 1 . 2]" 1
780 1 26 ILE MG 1 27 THR HA 2.682 . 3.581 3.267 3.218 3.310 . 0 0 "[ . 1 . 2]" 1
781 1 26 ILE MG 1 34 PRO HD3 2.629 . 3.493 2.262 2.133 2.438 . 0 0 "[ . 1 . 2]" 1
782 1 26 ILE HA 1 26 ILE MG 2.345 . 3.032 3.164 3.158 3.171 0.139 17 0 "[ . 1 . 2]" 1
783 1 77 LYS QE 1 78 HIS HE1 2.554 . 3.370 3.448 2.899 3.543 0.173 8 0 "[ . 1 . 2]" 1
784 1 22 CYS HB2 1 26 ILE MG 2.632 . 3.498 3.406 2.608 4.448 0.950 17 9 "[* ** -1* **. + *2]" 1
785 1 33 HIS HE1 1 35 GLU QB 2.546 . 3.356 3.257 3.036 3.459 0.103 18 0 "[ . 1 . 2]" 1
786 1 47 HIS HE1 1 49 LEU HG 2.286 . 2.939 2.892 2.230 3.220 0.281 13 0 "[ . 1 . 2]" 1
787 1 47 HIS HE1 1 49 LEU HB2 2.733 . 3.667 2.268 1.978 2.607 . 0 0 "[ . 1 . 2]" 1
788 1 47 HIS HE1 1 49 LEU HB3 2.773 . 3.734 3.756 3.398 3.910 0.176 15 0 "[ . 1 . 2]" 1
789 1 26 ILE MG 1 34 PRO HG3 2.471 . 3.234 2.176 2.060 2.250 . 0 0 "[ . 1 . 2]" 1
790 1 14 SER HB3 1 20 THR MG 2.626 . 3.488 3.478 2.507 4.080 0.592 2 5 "[ +*-. 1 * . * 2]" 1
791 1 77 LYS HB3 1 78 HIS HE1 2.959 . 4.053 4.144 4.070 4.185 0.132 15 0 "[ . 1 . 2]" 1
792 1 54 MET ME 1 69 SER HB3 3.115 . 4.328 2.576 1.957 3.064 . 0 0 "[ . 1 . 2]" 1
793 1 77 LYS QG 1 78 HIS HE1 2.948 . 4.034 2.767 2.565 4.115 0.081 8 0 "[ . 1 . 2]" 1
794 1 26 ILE HG13 1 30 ILE HB 2.943 . 4.025 2.633 2.580 2.664 . 0 0 "[ . 1 . 2]" 1
795 1 26 ILE MG 1 37 LEU MD1 2.411 . 3.137 2.918 2.820 3.028 . 0 0 "[ . 1 . 2]" 1
796 1 32 TYR HB2 1 33 HIS H 3.016 . 4.153 4.085 3.809 4.179 0.026 20 0 "[ . 1 . 2]" 1
797 1 17 MET H 1 17 MET ME 2.981 . 4.091 4.153 3.699 4.282 0.191 20 0 "[ . 1 . 2]" 1
798 1 93 ASN HB2 1 98 GLN H 2.911 . 3.970 3.933 3.613 4.021 0.051 4 0 "[ . 1 . 2]" 1
799 1 63 THR H 1 63 THR HA 2.804 . 3.787 2.765 2.719 2.888 . 0 0 "[ . 1 . 2]" 1
800 1 26 ILE H 1 26 ILE HA 2.606 . 3.455 2.743 2.737 2.748 . 0 0 "[ . 1 . 2]" 1
801 1 3 PHE HB2 1 3 PHE QD 2.364 . 3.063 2.431 2.295 2.752 . 0 0 "[ . 1 . 2]" 1
802 1 3 PHE HB3 1 3 PHE QD 2.365 . 3.064 2.405 2.261 2.741 . 0 0 "[ . 1 . 2]" 1
803 1 92 TYR QD 1 99 PRO HA 2.839 . 3.847 3.641 3.472 3.849 0.002 9 0 "[ . 1 . 2]" 1
804 1 9 PHE QD 1 26 ILE HA 3.122 . 4.340 3.568 3.419 3.685 . 0 0 "[ . 1 . 2]" 1
805 1 107 TYR QB 1 107 TYR QD 2.522 . 3.317 2.115 2.109 2.120 . 0 0 "[ . 1 . 2]" 1
806 1 32 TYR HB3 1 32 TYR QE 3.232 . 4.538 4.439 4.419 4.452 . 0 0 "[ . 1 . 2]" 1
807 1 17 MET ME 1 58 HIS HD2 2.661 . 3.546 3.381 2.434 3.700 0.154 7 0 "[ . 1 . 2]" 1
808 1 58 HIS HD2 1 102 ILE MD 2.756 . 3.705 2.892 2.081 3.878 0.173 20 0 "[ . 1 . 2]" 1
809 1 13 PHE QD 1 17 MET ME 2.748 . 3.692 3.578 3.361 3.710 0.018 20 0 "[ . 1 . 2]" 1
810 1 13 PHE QD 1 102 ILE MD 3.009 . 4.140 3.656 3.217 4.010 . 0 0 "[ . 1 . 2]" 1
811 1 26 ILE MD 1 32 TYR QD 2.387 . 3.099 2.533 2.468 2.612 . 0 0 "[ . 1 . 2]" 1
812 1 13 PHE QE 1 17 MET ME 2.829 . 3.830 3.910 3.854 4.008 0.178 7 0 "[ . 1 . 2]" 1
813 1 32 TYR H 1 32 TYR HB3 2.839 . 3.847 3.580 3.562 3.609 . 0 0 "[ . 1 . 2]" 1
814 1 26 ILE MD 1 32 TYR H 2.880 . 3.917 3.961 3.919 4.013 0.096 14 0 "[ . 1 . 2]" 1
815 1 3 PHE HA 1 3 PHE HB3 2.405 . 3.128 2.739 2.368 3.030 . 0 0 "[ . 1 . 2]" 1
816 1 3 PHE HA 1 3 PHE HB2 2.427 . 3.163 2.477 2.352 2.658 . 0 0 "[ . 1 . 2]" 1
817 1 15 MET HA 1 102 ILE MD 2.482 . 3.252 2.565 2.038 3.044 . 0 0 "[ . 1 . 2]" 1
818 1 32 TYR HA 1 32 TYR HB2 2.764 . 3.719 3.008 3.002 3.012 . 0 0 "[ . 1 . 2]" 1
819 1 17 MET ME 1 58 HIS HA 3.166 . 4.419 4.091 3.172 4.497 0.078 19 0 "[ . 1 . 2]" 1
820 1 17 MET HA 1 17 MET ME 2.717 . 3.640 2.931 2.183 3.313 . 0 0 "[ . 1 . 2]" 1
821 1 17 MET ME 1 58 HIS HB2 2.991 . 4.109 2.431 1.976 2.957 . 0 0 "[ . 1 . 2]" 1
822 1 26 ILE HA 1 26 ILE MD 2.306 . 2.971 2.894 2.835 2.954 . 0 0 "[ . 1 . 2]" 1
823 1 18 LYS QE 1 41 SER QB 3.281 . 4.626 3.035 1.982 4.150 . 0 0 "[ . 1 . 2]" 1
824 1 13 PHE HB2 1 17 MET ME 3.102 . 4.305 4.026 3.621 4.304 . 0 0 "[ . 1 . 2]" 1
825 1 13 PHE HB2 1 102 ILE MD 2.787 . 3.758 2.364 2.004 2.661 . 0 0 "[ . 1 . 2]" 1
826 1 26 ILE MD 1 32 TYR HB2 2.660 . 3.544 2.574 2.517 2.722 . 0 0 "[ . 1 . 2]" 1
827 1 94 PRO HA 1 94 PRO QB 2.408 . 3.133 2.217 2.166 2.236 . 0 0 "[ . 1 . 2]" 1
828 1 99 PRO HA 1 100 GLN QG 3.112 . 4.323 3.896 3.470 4.184 . 0 0 "[ . 1 . 2]" 1
829 1 22 CYS HB3 1 26 ILE MD 2.675 . 3.570 3.625 3.481 3.751 0.181 17 0 "[ . 1 . 2]" 1
830 1 99 PRO HA 1 99 PRO HB2 2.468 . 3.229 2.996 2.992 3.002 . 0 0 "[ . 1 . 2]" 1
831 1 93 ASN HB3 1 98 GLN HB2 3.063 . 4.236 3.360 2.947 3.776 . 0 0 "[ . 1 . 2]" 1
832 1 17 MET QB 1 17 MET ME 2.251 . 2.884 2.075 1.917 2.303 . 0 0 "[ . 1 . 2]" 1
833 1 17 MET ME 1 88 MET ME 2.235 . 2.859 2.900 2.700 2.995 0.136 14 0 "[ . 1 . 2]" 1
834 1 63 THR HA 1 63 THR MG 2.032 . 2.548 2.402 2.345 2.497 . 0 0 "[ . 1 . 2]" 1
835 1 26 ILE MD 1 30 ILE HG13 2.470 . 3.233 2.766 2.681 2.851 . 0 0 "[ . 1 . 2]" 1
836 1 26 ILE HA 1 26 ILE HB 2.307 . 2.972 2.403 2.394 2.414 . 0 0 "[ . 1 . 2]" 1
837 1 26 ILE HA 1 29 LEU MD1 2.295 . 2.953 2.495 2.370 2.643 . 0 0 "[ . 1 . 2]" 1
838 1 26 ILE HG12 1 32 TYR HB2 3.097 . 4.296 1.980 1.955 2.025 . 0 0 "[ . 1 . 2]" 1
839 1 26 ILE HA 1 26 ILE HG13 2.544 . 3.353 2.557 2.524 2.587 . 0 0 "[ . 1 . 2]" 1
840 1 32 TYR HB3 1 37 LEU HG 3.044 . 4.202 2.572 2.462 2.676 . 0 0 "[ . 1 . 2]" 1
841 1 26 ILE MD 1 32 TYR HB3 3.154 . 4.397 3.663 3.590 3.862 . 0 0 "[ . 1 . 2]" 1
842 1 26 ILE MD 1 37 LEU MD1 2.007 . 2.511 1.876 1.849 1.903 . 0 0 "[ . 1 . 2]" 1
843 1 26 ILE MD 1 37 LEU MD2 2.492 . 3.268 3.196 3.159 3.240 . 0 0 "[ . 1 . 2]" 1
844 1 46 TRP HE1 1 54 MET ME 2.892 . 3.937 3.103 2.870 3.429 . 0 0 "[ . 1 . 2]" 1
845 1 15 MET H 1 15 MET ME 2.797 . 3.775 3.539 2.955 3.965 0.190 14 0 "[ . 1 . 2]" 1
846 1 16 ASP HB3 1 17 MET H 3.186 . 4.455 4.172 3.706 4.518 0.063 11 0 "[ . 1 . 2]" 1
847 1 50 ASP H 1 51 SER HB3 3.002 . 4.129 4.039 3.873 4.155 0.026 13 0 "[ . 1 . 2]" 1
848 1 50 ASP H 1 51 SER HB2 2.999 . 4.123 3.871 3.731 4.134 0.011 8 0 "[ . 1 . 2]" 1
849 1 16 ASP H 1 16 ASP HB2 3.085 . 4.275 2.620 2.353 3.724 . 0 0 "[ . 1 . 2]" 1
850 1 16 ASP H 1 16 ASP HB3 2.998 . 4.121 3.244 2.522 3.716 . 0 0 "[ . 1 . 2]" 1
851 1 51 SER H 1 51 SER HB3 2.346 . 3.034 2.542 2.468 2.591 . 0 0 "[ . 1 . 2]" 1
852 1 51 SER H 1 51 SER HB2 2.337 . 3.020 2.493 2.454 2.556 . 0 0 "[ . 1 . 2]" 1
853 1 46 TRP HE3 1 51 SER HB3 2.824 . 3.821 3.852 3.721 3.900 0.079 1 0 "[ . 1 . 2]" 1
854 1 46 TRP HE3 1 51 SER HB2 2.809 . 3.795 3.327 3.100 3.561 . 0 0 "[ . 1 . 2]" 1
855 1 46 TRP HE3 1 54 MET ME 2.990 . 4.108 4.183 3.905 4.265 0.157 10 0 "[ . 1 . 2]" 1
856 1 60 ASN HB2 1 60 ASN HD21 3.322 . 4.701 2.519 2.178 3.497 . 0 0 "[ . 1 . 2]" 1
857 1 84 LEU HA 1 108 VAL HA 2.680 . 3.577 1.801 1.768 1.870 0.015 12 0 "[ . 1 . 2]" 1
858 1 60 ASN HA 1 60 ASN HB3 2.648 . 3.524 2.958 2.550 3.032 . 0 0 "[ . 1 . 2]" 1
859 1 16 ASP HA 1 16 ASP HB2 2.285 . 2.938 2.803 2.409 3.018 0.080 14 0 "[ . 1 . 2]" 1
860 1 16 ASP HA 1 16 ASP HB3 2.254 . 2.889 2.687 2.446 3.024 0.135 17 0 "[ . 1 . 2]" 1
861 1 17 MET HA 1 102 ILE MD 2.881 . 3.919 3.381 2.831 3.785 . 0 0 "[ . 1 . 2]" 1
862 1 54 MET ME 1 86 THR HB 2.757 . 3.707 2.928 2.530 3.336 . 0 0 "[ . 1 . 2]" 1
863 1 54 MET ME 1 69 SER HB2 2.651 . 3.530 2.753 2.141 3.394 . 0 0 "[ . 1 . 2]" 1
864 1 46 TRP HB2 1 51 SER HB3 3.043 . 4.200 4.049 3.727 4.236 0.036 11 0 "[ . 1 . 2]" 1
865 1 46 TRP HB2 1 51 SER HB2 3.003 . 4.130 2.630 2.310 2.971 . 0 0 "[ . 1 . 2]" 1
866 1 46 TRP HB3 1 51 SER HB3 3.012 . 4.146 3.963 3.613 4.200 0.054 16 0 "[ . 1 . 2]" 1
867 1 46 TRP HB3 1 51 SER HB2 2.934 . 4.010 2.356 1.920 2.689 . 0 0 "[ . 1 . 2]" 1
868 1 96 ASN HB2 1 98 GLN QG 2.987 . 4.102 2.699 2.368 4.032 . 0 0 "[ . 1 . 2]" 1
869 1 22 CYS HB2 1 26 ILE MD 2.666 . 3.554 3.567 3.426 3.718 0.164 14 0 "[ . 1 . 2]" 1
870 1 41 SER QB 1 44 GLU QG 2.505 . 3.290 2.036 1.809 3.095 . 0 0 "[ . 1 . 2]" 1
871 1 84 LEU HB3 1 108 VAL HA 2.570 . 3.396 1.816 1.754 1.852 . 0 0 "[ . 1 . 2]" 1
872 1 86 THR HA 1 107 TYR H 2.941 . 4.022 3.852 3.614 4.013 . 0 0 "[ . 1 . 2]" 1
873 1 112 ILE HB 1 113 GLU H 3.045 . 4.204 3.923 3.874 4.003 . 0 0 "[ . 1 . 2]" 1
874 1 57 SER HB3 1 58 HIS H 2.730 . 3.662 2.835 2.411 3.722 0.060 6 0 "[ . 1 . 2]" 1
875 1 43 SER H 1 43 SER HB2 2.948 . 4.034 2.640 2.331 3.548 . 0 0 "[ . 1 . 2]" 1
876 1 46 TRP HE3 1 51 SER HA 2.668 . 3.558 2.341 2.045 2.559 . 0 0 "[ . 1 . 2]" 1
877 1 30 ILE MD 1 32 TYR QD 2.345 . 3.032 2.254 2.221 2.344 . 0 0 "[ . 1 . 2]" 1
878 1 86 THR HA 1 86 THR HG1 3.090 . 4.284 2.661 2.369 2.778 . 0 0 "[ . 1 . 2]" 1
879 1 30 ILE MD 1 32 TYR H 2.875 . 3.909 4.005 3.971 4.061 0.152 14 0 "[ . 1 . 2]" 1
880 1 86 THR HA 1 106 ASN HA 2.710 . 3.628 2.395 2.350 2.464 . 0 0 "[ . 1 . 2]" 1
881 1 10 LEU HA 1 105 VAL HA 2.616 . 3.472 2.619 2.488 2.680 . 0 0 "[ . 1 . 2]" 1
882 1 60 ASN HA 1 60 ASN HB2 2.571 . 3.397 2.592 2.460 3.017 . 0 0 "[ . 1 . 2]" 1
883 1 30 ILE HA 1 112 ILE MD 2.229 . 2.850 2.385 2.136 2.656 . 0 0 "[ . 1 . 2]" 1
884 1 57 SER HA 1 60 ASN HB2 2.786 . 3.756 3.049 2.213 3.778 0.022 10 0 "[ . 1 . 2]" 1
885 1 112 ILE HA 1 112 ILE MD 2.248 . 2.880 3.171 3.128 3.199 0.319 15 0 "[ . 1 . 2]" 1
886 1 26 ILE HA 1 30 ILE MD 2.702 . 3.614 3.573 3.461 3.656 0.042 18 0 "[ . 1 . 2]" 1
887 1 30 ILE MD 1 74 MET HG3 2.882 . 3.920 3.687 3.597 3.787 . 0 0 "[ . 1 . 2]" 1
888 1 30 ILE MD 1 74 MET HG2 2.787 . 3.758 2.310 2.198 2.448 . 0 0 "[ . 1 . 2]" 1
889 1 57 SER HA 1 60 ASN HB3 2.786 . 3.756 3.069 2.373 3.928 0.172 12 0 "[ . 1 . 2]" 1
890 1 62 CYS HA 1 62 CYS HB2 2.626 . 3.488 2.650 2.461 3.025 . 0 0 "[ . 1 . 2]" 1
891 1 30 ILE MD 1 32 TYR HB2 2.974 . 4.079 3.497 3.432 3.679 . 0 0 "[ . 1 . 2]" 1
892 1 112 ILE MD 1 114 LYS QE 2.844 . 3.855 3.453 2.836 3.907 0.052 1 0 "[ . 1 . 2]" 1
893 1 111 GLU QB 1 112 ILE HB 2.931 . 4.005 3.773 3.640 4.077 0.072 2 0 "[ . 1 . 2]" 1
894 1 111 GLU HG2 1 112 ILE MD 3.036 . 4.188 3.564 2.173 5.165 0.977 18 1 "[ . 1 . + 2]" 1
895 1 111 GLU QB 1 112 ILE MD 2.839 . 3.846 2.864 2.615 3.664 . 0 0 "[ . 1 . 2]" 1
896 1 82 VAL HB 1 112 ILE HA 2.580 . 3.412 2.495 2.380 2.585 . 0 0 "[ . 1 . 2]" 1
897 1 56 LYS QB 1 57 SER HA 2.953 . 4.043 4.003 3.923 4.071 0.028 6 0 "[ . 1 . 2]" 1
898 1 82 VAL HB 1 112 ILE MD 2.561 . 3.381 3.498 3.470 3.565 0.184 10 0 "[ . 1 . 2]" 1
899 1 112 ILE HA 1 112 ILE HB 2.517 . 3.309 3.001 2.993 3.006 . 0 0 "[ . 1 . 2]" 1
900 1 112 ILE HA 1 112 ILE HG13 2.510 . 3.298 2.156 2.126 2.188 . 0 0 "[ . 1 . 2]" 1
901 1 57 SER HA 1 67 VAL QG 2.585 . 3.420 2.607 2.294 2.947 . 0 0 "[ . 1 . 2]" 1
902 1 26 ILE HB 1 26 ILE MG 2.428 . 3.165 2.123 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
903 1 26 ILE HB 1 26 ILE HG13 2.807 . 3.792 2.884 2.867 2.901 . 0 0 "[ . 1 . 2]" 1
904 1 26 ILE HB 1 26 ILE MD 2.534 . 3.336 2.210 2.201 2.216 . 0 0 "[ . 1 . 2]" 1
905 1 26 ILE MD 1 30 ILE MD 2.114 . 2.672 1.780 1.756 1.805 . 0 0 "[ . 1 . 2]" 1
906 1 30 ILE MD 1 37 LEU MD1 2.651 . 3.530 3.553 3.457 3.602 0.072 7 0 "[ . 1 . 2]" 1
907 1 30 ILE MD 1 37 LEU MD2 2.966 . 4.065 4.185 4.121 4.226 0.161 2 0 "[ . 1 . 2]" 1
908 1 85 GLU HG3 1 86 THR H 3.161 . 4.410 2.995 2.716 4.367 . 0 0 "[ . 1 . 2]" 1
909 1 85 GLU HG2 1 86 THR H 3.157 . 4.403 3.351 2.837 4.378 . 0 0 "[ . 1 . 2]" 1
910 1 41 SER H 1 44 GLU QG 3.083 . 3.523 2.648 2.148 2.996 . 0 0 "[ . 1 . 2]" 1
911 1 88 MET HB2 1 89 THR H 3.141 . 4.374 4.063 3.951 4.146 . 0 0 "[ . 1 . 2]" 1
912 1 53 ASN HB3 1 53 ASN HD21 2.459 . 3.215 2.583 2.077 3.424 0.209 8 0 "[ . 1 . 2]" 1
913 1 44 GLU H 1 44 GLU QG 2.540 . 2.961 2.149 1.894 2.250 . 0 0 "[ . 1 . 2]" 1
914 1 53 ASN HB2 1 53 ASN HD22 2.826 . 3.824 3.664 3.419 3.978 0.154 5 0 "[ . 1 . 2]" 1
915 1 53 ASN HB3 1 53 ASN HD22 2.824 . 3.821 3.626 3.400 4.001 0.180 8 0 "[ . 1 . 2]" 1
916 1 32 TYR QD 1 36 GLU HG3 3.098 . 4.298 4.340 4.155 4.562 0.264 18 0 "[ . 1 . 2]" 1
917 1 50 ASP HA 1 53 ASN HB2 2.978 . 4.087 3.923 3.515 4.356 0.269 20 0 "[ . 1 . 2]" 1
918 1 50 ASP HA 1 53 ASN HB3 3.119 . 4.335 3.305 2.680 3.988 . 0 0 "[ . 1 . 2]" 1
919 1 33 HIS HB3 1 36 GLU HG3 2.958 . 4.051 2.308 1.750 2.577 0.115 18 0 "[ . 1 . 2]" 1
920 1 33 HIS HB2 1 36 GLU HG3 2.998 . 4.121 2.449 2.092 2.678 . 0 0 "[ . 1 . 2]" 1
921 1 33 HIS HB3 1 36 GLU HG2 2.914 . 3.976 2.101 1.767 3.022 0.085 2 0 "[ . 1 . 2]" 1
922 1 33 HIS HB2 1 36 GLU HG2 2.933 . 4.008 2.992 2.716 3.600 . 0 0 "[ . 1 . 2]" 1
923 1 88 MET HB2 1 88 MET HG3 2.970 . 4.073 2.473 2.449 2.495 . 0 0 "[ . 1 . 2]" 1
924 1 88 MET HB2 1 88 MET HG2 2.922 . 3.989 3.001 2.997 3.003 . 0 0 "[ . 1 . 2]" 1
925 1 68 VAL QG 1 85 GLU HG3 2.856 . 3.876 3.312 2.577 3.774 . 0 0 "[ . 1 . 2]" 1
926 1 35 GLU H 1 35 GLU QG 2.168 . 2.755 2.147 2.052 3.040 0.285 4 0 "[ . 1 . 2]" 1
927 1 33 HIS HE1 1 35 GLU QG 2.287 . 2.941 2.813 2.631 3.014 0.073 17 0 "[ . 1 . 2]" 1
928 1 28 GLU HG2 1 29 LEU H 2.857 . 3.877 3.233 2.960 3.917 0.040 15 0 "[ . 1 . 2]" 1
929 1 91 ILE HB 1 91 ILE HG12 2.806 . 3.790 2.448 2.431 2.462 . 0 0 "[ . 1 . 2]" 1
930 1 68 VAL QG 1 85 GLU HG2 2.796 . 3.773 2.906 2.428 3.888 0.115 4 0 "[ . 1 . 2]" 1
931 1 91 ILE HB 1 91 ILE MG 2.428 . 3.165 2.125 2.122 2.127 . 0 0 "[ . 1 . 2]" 1
932 1 91 ILE HB 1 91 ILE MD 2.716 . 3.638 3.234 3.227 3.238 . 0 0 "[ . 1 . 2]" 1
933 1 28 GLU HG3 1 29 LEU MD2 2.525 . 3.322 3.039 2.298 3.221 . 0 0 "[ . 1 . 2]" 1
934 1 28 GLU HG2 1 29 LEU MD2 2.548 . 3.360 2.034 1.944 2.197 . 0 0 "[ . 1 . 2]" 1
935 1 28 GLU HG2 1 29 LEU MD1 2.608 . 3.459 3.501 3.419 3.641 0.182 18 0 "[ . 1 . 2]" 1
936 1 19 PHE HA 1 20 THR H 2.420 . 3.152 2.120 2.092 2.143 . 0 0 "[ . 1 . 2]" 1
937 1 52 GLU H 1 52 GLU HA 2.806 . 3.790 2.796 2.762 2.820 . 0 0 "[ . 1 . 2]" 1
938 1 81 TYR QD 1 82 VAL H 2.784 . 3.753 2.430 2.359 2.497 . 0 0 "[ . 1 . 2]" 1
939 1 107 TYR QD 1 108 VAL H 2.919 . 3.984 4.097 4.030 4.137 0.153 7 0 "[ . 1 . 2]" 1
940 1 8 THR HA 1 108 VAL H 2.871 . 3.901 3.260 3.223 3.338 . 0 0 "[ . 1 . 2]" 1
941 1 82 VAL H 1 82 VAL HB 2.504 . 3.288 3.394 3.361 3.417 0.129 13 0 "[ . 1 . 2]" 1
942 1 81 TYR H 1 81 TYR QD 2.829 . 3.829 4.000 3.955 4.041 0.212 5 0 "[ . 1 . 2]" 1
943 1 52 GLU HA 1 55 THR H 2.853 . 3.871 3.503 3.273 3.728 . 0 0 "[ . 1 . 2]" 1
944 1 83 TRP HD1 1 113 GLU HG2 3.226 . 4.527 3.467 3.104 4.147 . 0 0 "[ . 1 . 2]" 1
945 1 12 ARG HB2 1 21 TYR QD 3.252 . 4.574 3.828 3.673 4.035 . 0 0 "[ . 1 . 2]" 1
946 1 13 PHE QD 1 19 PHE HA 2.709 . 3.626 2.903 2.594 3.109 . 0 0 "[ . 1 . 2]" 1
947 1 8 THR HA 1 107 TYR QD 3.156 . 4.401 4.390 4.274 4.498 0.097 17 0 "[ . 1 . 2]" 1
948 1 13 PHE HA 1 19 PHE HA 2.688 . 3.591 3.182 3.017 3.329 . 0 0 "[ . 1 . 2]" 1
949 1 74 MET HA 1 74 MET HB2 2.950 . 4.037 2.400 2.387 2.410 . 0 0 "[ . 1 . 2]" 1
950 1 81 TYR HA 1 81 TYR QD 2.667 . 3.556 2.890 2.826 2.950 . 0 0 "[ . 1 . 2]" 1
951 1 81 TYR HA 1 82 VAL HB 3.098 . 4.298 4.285 4.230 4.310 0.012 12 0 "[ . 1 . 2]" 1
952 1 106 ASN HA 1 107 TYR QD 3.017 . 4.155 3.943 3.747 4.081 . 0 0 "[ . 1 . 2]" 1
953 1 8 THR HA 1 107 TYR HA 2.783 . 3.751 1.876 1.832 1.917 . 0 0 "[ . 1 . 2]" 1
954 1 73 ARG HA 1 81 TYR QD 2.994 . 4.115 3.543 3.267 3.841 . 0 0 "[ . 1 . 2]" 1
955 1 52 GLU HA 1 55 THR HB 2.395 . 3.112 3.038 2.714 3.179 0.067 10 0 "[ . 1 . 2]" 1
956 1 80 GLY HA2 1 81 TYR QD 2.946 . 4.031 3.753 3.653 3.872 . 0 0 "[ . 1 . 2]" 1
957 1 61 LEU HA 1 67 VAL HB 2.953 . 4.043 2.041 1.755 4.185 0.142 12 0 "[ . 1 . 2]" 1
958 1 19 PHE HA 1 19 PHE HB2 2.939 . 4.019 2.962 2.950 2.982 . 0 0 "[ . 1 . 2]" 1
959 1 74 MET HB3 1 74 MET HG3 2.960 . 4.055 2.985 2.978 2.994 . 0 0 "[ . 1 . 2]" 1
960 1 74 MET HB3 1 74 MET HG2 2.902 . 3.955 2.295 2.273 2.316 . 0 0 "[ . 1 . 2]" 1
961 1 81 TYR QB 1 81 TYR QD 2.383 . 3.093 2.102 2.093 2.106 . 0 0 "[ . 1 . 2]" 1
962 1 8 THR HA 1 107 TYR QB 3.045 . 4.204 2.566 2.389 2.665 . 0 0 "[ . 1 . 2]" 1
963 1 7 LYS HB3 1 8 THR HA 3.185 . 4.453 4.537 4.438 4.637 0.184 7 0 "[ . 1 . 2]" 1
964 1 19 PHE HA 1 19 PHE HB3 2.734 . 3.668 2.674 2.637 2.693 . 0 0 "[ . 1 . 2]" 1
965 1 52 GLU HA 1 52 GLU HG2 2.443 . 3.189 3.070 2.930 3.199 0.010 9 0 "[ . 1 . 2]" 1
966 1 52 GLU HA 1 52 GLU HG3 2.391 . 3.106 2.557 2.439 2.651 . 0 0 "[ . 1 . 2]" 1
967 1 105 VAL HB 1 107 TYR QD 2.935 . 4.012 3.989 3.834 4.070 0.058 20 0 "[ . 1 . 2]" 1
968 1 73 ARG QD 1 81 TYR QD 3.121 . 4.338 3.165 2.506 4.184 . 0 0 "[ . 1 . 2]" 1
969 1 73 ARG HB3 1 81 TYR QD 2.605 . 3.453 2.173 1.851 2.670 . 0 0 "[ . 1 . 2]" 1
970 1 8 THR HA 1 8 THR MG 2.420 . 3.152 2.334 2.280 2.377 . 0 0 "[ . 1 . 2]" 1
971 1 92 TYR H 1 92 TYR QD 2.440 . 3.184 1.835 1.747 1.910 . 0 0 "[ . 1 . 2]" 1
972 1 19 PHE HD1 1 40 ARG H 3.162 . 4.412 3.973 3.594 4.362 . 0 0 "[ . 1 . 2]" 1
973 1 82 VAL HA 1 83 TRP H 2.207 . 2.816 2.427 2.375 2.488 . 0 0 "[ . 1 . 2]" 1
974 1 6 SER HA 1 7 LYS H 2.611 . 3.463 3.334 2.922 3.539 0.076 5 0 "[ . 1 . 2]" 1
975 1 56 LYS HA 1 57 SER H 2.825 . 3.822 3.512 3.472 3.533 . 0 0 "[ . 1 . 2]" 1
976 1 22 CYS H 1 22 CYS HA 2.819 . 3.812 2.881 2.874 2.891 . 0 0 "[ . 1 . 2]" 1
977 1 32 TYR QE 1 77 LYS HA 2.532 . 3.333 2.290 2.198 2.464 . 0 0 "[ . 1 . 2]" 1
978 1 77 LYS H 1 77 LYS HA 2.529 . 3.329 2.738 2.724 2.765 . 0 0 "[ . 1 . 2]" 1
979 1 11 SER HA 1 22 CYS HA 2.578 . 3.409 2.056 1.962 2.147 . 0 0 "[ . 1 . 2]" 1
980 1 92 TYR QD 1 98 GLN HA 2.548 . 3.360 2.930 2.752 3.069 . 0 0 "[ . 1 . 2]" 1
981 1 32 TYR QD 1 76 ALA HA 3.023 . 4.166 4.263 4.211 4.329 0.163 18 0 "[ . 1 . 2]" 1
982 1 32 TYR HA 1 32 TYR QD 2.629 . 3.493 2.327 2.254 2.521 . 0 0 "[ . 1 . 2]" 1
983 1 92 TYR QD 1 99 PRO HD3 3.032 . 4.181 2.021 1.960 2.118 . 0 0 "[ . 1 . 2]" 1
984 1 11 SER HB2 1 21 TYR QD 3.182 . 4.447 4.462 4.295 4.641 0.194 14 0 "[ . 1 . 2]" 1
985 1 58 HIS HA 1 58 HIS HB3 2.598 . 3.442 3.019 2.984 3.034 . 0 0 "[ . 1 . 2]" 1
986 1 58 HIS HA 1 58 HIS HB2 2.540 . 3.346 2.468 2.391 2.602 . 0 0 "[ . 1 . 2]" 1
987 1 92 TYR HB3 1 92 TYR QD 2.397 . 3.115 2.316 2.302 2.339 . 0 0 "[ . 1 . 2]" 1
988 1 32 TYR HB2 1 32 TYR QD 2.516 . 3.307 2.247 2.214 2.302 . 0 0 "[ . 1 . 2]" 1
989 1 92 TYR HB2 1 92 TYR QD 2.399 . 3.118 2.490 2.458 2.532 . 0 0 "[ . 1 . 2]" 1
990 1 35 GLU HA 1 35 GLU QG 2.201 . 2.806 2.399 2.339 2.700 . 0 0 "[ . 1 . 2]" 1
991 1 92 TYR QD 1 99 PRO HG3 2.794 . 3.770 3.114 3.041 3.198 . 0 0 "[ . 1 . 2]" 1
992 1 30 ILE HB 1 32 TYR QD 2.711 . 3.629 2.303 2.239 2.411 . 0 0 "[ . 1 . 2]" 1
993 1 35 GLU HA 1 35 GLU QB 1.964 . 2.446 2.358 2.342 2.401 . 0 0 "[ . 1 . 2]" 1
994 1 32 TYR HB3 1 32 TYR QD 2.547 . 3.358 2.587 2.531 2.610 . 0 0 "[ . 1 . 2]" 1
995 1 56 LYS HA 1 56 LYS HG3 2.333 . 3.013 2.724 2.410 3.883 0.870 4 2 "[ +- 1 . 2]" 1
996 1 35 GLU HA 1 38 LEU HG 2.309 . 2.976 1.915 1.827 1.993 . 0 0 "[ . 1 . 2]" 1
997 1 32 TYR QD 1 77 LYS HD3 2.689 . 3.593 2.685 2.600 2.862 . 0 0 "[ . 1 . 2]" 1
998 1 55 THR MG 1 56 LYS HA 2.674 . 3.568 3.597 3.481 3.680 0.112 17 0 "[ . 1 . 2]" 1
999 1 35 GLU HA 1 38 LEU HB2 2.841 . 3.850 2.331 2.188 2.483 . 0 0 "[ . 1 . 2]" 1
1000 1 77 LYS HA 1 77 LYS HD3 2.645 . 3.519 3.519 3.443 3.625 0.106 8 0 "[ . 1 . 2]" 1
1001 1 58 HIS HA 1 67 VAL QG 2.534 . 3.337 2.670 2.020 3.293 . 0 0 "[ . 1 . 2]" 1
1002 1 77 LYS HA 1 77 LYS HB3 2.511 . 3.299 3.027 3.021 3.032 . 0 0 "[ . 1 . 2]" 1
1003 1 90 VAL MG1 1 92 TYR QD 2.723 . 3.650 3.425 3.145 3.674 0.024 2 0 "[ . 1 . 2]" 1
1004 1 35 GLU HA 1 38 LEU MD2 2.623 . 3.483 3.647 3.578 3.707 0.224 3 0 "[ . 1 . 2]" 1
1005 1 77 LYS HA 1 77 LYS QG 2.277 . 2.925 2.618 2.350 2.701 . 0 0 "[ . 1 . 2]" 1
1006 1 77 LYS HA 1 77 LYS HB2 2.423 . 3.157 2.458 2.424 2.477 . 0 0 "[ . 1 . 2]" 1
1007 1 32 TYR QD 1 37 LEU MD2 2.865 . 3.891 2.774 2.721 2.805 . 0 0 "[ . 1 . 2]" 1
1008 1 100 GLN H 1 100 GLN QG 2.994 . 3.874 2.333 1.918 2.829 . 0 0 "[ . 1 . 2]" 1
1009 1 103 MET H 1 103 MET HB3 2.891 . 3.936 2.819 2.576 2.957 . 0 0 "[ . 1 . 2]" 1
1010 1 88 MET H 1 88 MET HG3 2.857 . 3.878 2.891 2.794 2.984 . 0 0 "[ . 1 . 2]" 1
1011 1 88 MET H 1 88 MET HG2 2.874 . 3.907 4.025 3.977 4.067 0.160 19 0 "[ . 1 . 2]" 1
1012 1 103 MET H 1 103 MET HB2 2.831 . 3.833 2.295 2.161 2.435 . 0 0 "[ . 1 . 2]" 1
1013 1 91 ILE MD 1 103 MET H 2.975 . 4.081 3.554 3.369 3.865 . 0 0 "[ . 1 . 2]" 1
1014 1 91 ILE HA 1 92 TYR H 2.419 . 3.150 2.065 2.038 2.086 . 0 0 "[ . 1 . 2]" 1
1015 1 91 ILE H 1 91 ILE HA 2.882 . 3.920 2.921 2.913 2.928 . 0 0 "[ . 1 . 2]" 1
1016 1 93 ASN H 1 100 GLN QG 2.899 . 3.950 2.865 2.483 3.320 . 0 0 "[ . 1 . 2]" 1
1017 1 91 ILE MD 1 92 TYR H 2.678 . 3.575 3.617 3.575 3.652 0.077 14 0 "[ . 1 . 2]" 1
1018 1 91 ILE H 1 91 ILE MD 2.737 . 3.673 3.541 3.423 3.625 . 0 0 "[ . 1 . 2]" 1
1019 1 59 GLN H 1 59 GLN HA 2.784 . 3.753 2.827 2.789 2.850 . 0 0 "[ . 1 . 2]" 1
1020 1 59 GLN H 1 59 GLN HG2 2.576 . 3.406 3.211 2.085 3.464 0.058 1 0 "[ . 1 . 2]" 1
1021 1 100 GLN QG 1 101 CYS H 3.179 . 4.442 3.040 1.928 3.924 . 0 0 "[ . 1 . 2]" 1
1022 1 59 GLN H 1 59 GLN HG3 2.607 . 3.456 2.327 2.069 3.548 0.092 12 0 "[ . 1 . 2]" 1
1023 1 45 PHE H 1 45 PHE QD 2.829 . 3.830 2.714 2.341 2.903 . 0 0 "[ . 1 . 2]" 1
1024 1 71 GLN HE22 1 71 GLN HG2 2.618 . 3.475 3.699 3.446 4.035 0.560 14 6 "[ - . * 1 +. * **]" 1
1025 1 21 TYR QD 1 22 CYS HA 2.824 . 3.821 3.224 3.015 3.336 . 0 0 "[ . 1 . 2]" 1
1026 1 58 HIS HA 1 58 HIS HD2 2.800 . 3.780 3.106 2.503 4.045 0.265 15 0 "[ . 1 . 2]" 1
1027 1 74 MET HA 1 74 MET HG2 2.763 . 3.717 3.498 3.457 3.547 . 0 0 "[ . 1 . 2]" 1
1028 1 12 ARG HA 1 21 TYR QD 3.306 . 4.672 4.617 4.350 4.707 0.035 7 0 "[ . 1 . 2]" 1
1029 1 11 SER HA 1 21 TYR QD 2.740 . 3.678 2.173 1.852 2.289 . 0 0 "[ . 1 . 2]" 1
1030 1 103 MET HA 1 103 MET HB3 2.900 . 3.952 2.970 2.943 3.002 . 0 0 "[ . 1 . 2]" 1
1031 1 103 MET HA 1 103 MET HB2 2.844 . 3.855 2.672 2.562 2.733 . 0 0 "[ . 1 . 2]" 1
1032 1 45 PHE HA 1 45 PHE QD 2.784 . 3.753 2.731 2.599 2.925 . 0 0 "[ . 1 . 2]" 1
1033 1 21 TYR HA 1 21 TYR QD 2.576 . 3.405 2.785 2.721 2.887 . 0 0 "[ . 1 . 2]" 1
1034 1 14 SER HB2 1 18 LYS HB2 2.981 . 4.092 3.537 2.351 4.498 0.406 13 0 "[ . 1 . 2]" 1
1035 1 114 LYS HA 1 114 LYS HB3 2.161 . 2.745 2.483 2.283 2.544 . 0 0 "[ . 1 . 2]" 1
1036 1 91 ILE HA 1 91 ILE MD 2.249 . 2.881 1.971 1.955 1.999 . 0 0 "[ . 1 . 2]" 1
1037 1 64 LYS HB2 1 65 GLY HA3 3.250 . 4.571 4.679 4.607 4.732 0.161 1 0 "[ . 1 . 2]" 1
1038 1 89 THR HB 1 103 MET HB2 2.988 . 4.104 2.828 2.420 3.459 . 0 0 "[ . 1 . 2]" 1
1039 1 89 THR HB 1 91 ILE MD 2.787 . 3.758 3.406 2.866 3.744 . 0 0 "[ . 1 . 2]" 1
1040 1 21 TYR HB2 1 21 TYR QD 2.535 . 3.339 2.468 2.428 2.493 . 0 0 "[ . 1 . 2]" 1
1041 1 45 PHE HB2 1 74 MET HG3 2.896 . 3.944 2.147 2.012 2.293 . 0 0 "[ . 1 . 2]" 1
1042 1 45 PHE HB2 1 74 MET HG2 2.963 . 4.060 3.612 3.430 3.791 . 0 0 "[ . 1 . 2]" 1
1043 1 93 ASN HB3 1 100 GLN QG 3.093 . 4.289 3.571 3.098 4.230 . 0 0 "[ . 1 . 2]" 1
1044 1 12 ARG QD 1 21 TYR QD 3.090 . 4.283 3.848 3.233 4.308 0.025 7 0 "[ . 1 . 2]" 1
1045 1 47 HIS HA 1 47 HIS HB3 2.674 . 3.568 3.030 2.998 3.038 . 0 0 "[ . 1 . 2]" 1
1046 1 93 ASN HB2 1 100 GLN QG 2.822 . 3.818 2.310 1.800 2.976 0.026 5 0 "[ . 1 . 2]" 1
1047 1 114 LYS HB2 1 114 LYS QE 2.946 . 4.031 3.983 3.917 4.204 0.173 5 0 "[ . 1 . 2]" 1
1048 1 21 TYR HB3 1 21 TYR QD 2.541 . 3.348 2.359 2.345 2.383 . 0 0 "[ . 1 . 2]" 1
1049 1 32 TYR QD 1 36 GLU HB2 3.060 . 4.230 3.729 3.309 3.908 . 0 0 "[ . 1 . 2]" 1
1050 1 47 HIS HA 1 47 HIS HB2 2.568 . 3.393 2.475 2.363 2.524 . 0 0 "[ . 1 . 2]" 1
1051 1 25 ARG HA 1 28 GLU HG2 2.956 . 4.049 4.168 4.061 4.251 0.202 5 0 "[ . 1 . 2]" 1
1052 1 103 MET HB3 1 103 MET QG 2.534 . 3.337 2.267 2.143 2.331 . 0 0 "[ . 1 . 2]" 1
1053 1 103 MET HB2 1 103 MET QG 2.502 . 3.284 2.188 2.142 2.333 . 0 0 "[ . 1 . 2]" 1
1054 1 91 ILE MD 1 103 MET QG 2.390 . 3.104 2.528 2.294 2.971 . 0 0 "[ . 1 . 2]" 1
1055 1 12 ARG QG 1 21 TYR QD 2.656 . 3.538 2.408 2.114 2.915 . 0 0 "[ . 1 . 2]" 1
1056 1 114 LYS HB3 1 114 LYS QG 2.226 . 2.845 2.271 2.225 2.307 . 0 0 "[ . 1 . 2]" 1
1057 1 114 LYS HB2 1 114 LYS QG 2.241 . 2.869 2.397 2.324 2.443 . 0 0 "[ . 1 . 2]" 1
1058 1 91 ILE HG13 1 103 MET HB2 2.797 . 3.775 2.382 1.988 2.649 . 0 0 "[ . 1 . 2]" 1
1059 1 71 GLN HG2 1 109 LEU QD 2.437 . 3.180 2.723 1.715 3.996 0.816 19 6 "[ . * 1 *- * +*]" 1
1060 1 91 ILE MD 1 103 MET HB3 2.815 . 3.806 3.018 2.697 3.194 . 0 0 "[ . 1 . 2]" 1
1061 1 112 ILE MG 1 114 LYS HB2 2.780 . 3.746 3.897 3.854 3.940 0.194 13 0 "[ . 1 . 2]" 1
1062 1 91 ILE MD 1 103 MET HB2 2.755 . 3.704 2.071 1.853 2.500 . 0 0 "[ . 1 . 2]" 1
1063 1 21 TYR QD 1 38 LEU MD2 3.079 . 4.264 4.314 4.259 4.363 0.099 18 0 "[ . 1 . 2]" 1
1064 1 9 PHE QD 1 26 ILE MD 3.004 . 4.132 3.035 2.824 3.188 . 0 0 "[ . 1 . 2]" 1
1065 1 68 VAL HB 1 69 SER H 3.157 . 4.403 4.174 3.823 4.406 0.003 19 0 "[ . 1 . 2]" 1
1066 1 87 GLN H 1 105 VAL HB 3.171 . 4.428 3.169 2.990 3.350 . 0 0 "[ . 1 . 2]" 1
1067 1 25 ARG H 1 25 ARG HA 2.689 . 3.593 2.767 2.737 2.785 . 0 0 "[ . 1 . 2]" 1
1068 1 66 GLN HG2 1 67 VAL H 2.855 . 3.874 2.415 1.642 4.555 0.681 10 3 "[ . +* - . 2]" 1
1069 1 105 VAL H 1 105 VAL HB 2.666 . 3.554 2.507 2.492 2.530 . 0 0 "[ . 1 . 2]" 1
1070 1 68 VAL H 1 68 VAL HB 2.464 . 3.223 2.760 2.564 2.897 . 0 0 "[ . 1 . 2]" 1
1071 1 25 ARG HA 1 26 ILE H 2.816 . 3.807 3.482 3.453 3.495 . 0 0 "[ . 1 . 2]" 1
1072 1 44 GLU HA 1 45 PHE H 2.812 . 3.800 3.534 3.481 3.578 . 0 0 "[ . 1 . 2]" 1
1073 1 44 GLU HA 1 46 TRP H 3.045 . 4.204 4.167 4.015 4.276 0.072 8 0 "[ . 1 . 2]" 1
1074 1 13 PHE QE 1 19 PHE HE1 3.105 . 4.311 3.384 3.108 3.627 . 0 0 "[ . 1 . 2]" 1
1075 1 88 MET HA 1 88 MET HG3 2.817 . 3.809 2.892 2.846 2.945 . 0 0 "[ . 1 . 2]" 1
1076 1 18 LYS HA 1 18 LYS HB3 2.904 . 3.958 2.632 2.525 2.725 . 0 0 "[ . 1 . 2]" 1
1077 1 68 VAL HA 1 68 VAL HB 2.786 . 3.756 3.025 3.017 3.030 . 0 0 "[ . 1 . 2]" 1
1078 1 56 LYS HA 1 59 GLN HG2 2.624 . 3.485 3.570 2.433 3.700 0.215 1 0 "[ . 1 . 2]" 1
1079 1 56 LYS HA 1 59 GLN HG3 2.635 . 3.503 2.217 2.103 2.578 . 0 0 "[ . 1 . 2]" 1
1080 1 59 GLN HA 1 59 GLN HG2 2.506 . 3.291 2.498 2.348 3.110 . 0 0 "[ . 1 . 2]" 1
1081 1 59 GLN HA 1 59 GLN HG3 2.473 . 3.237 3.217 2.968 3.618 0.381 12 0 "[ . 1 . 2]" 1
1082 1 17 MET HA 1 17 MET QG 2.657 . 3.539 2.586 2.274 3.136 . 0 0 "[ . 1 . 2]" 1
1083 1 18 LYS HB3 1 18 LYS QE 3.176 . 4.437 4.139 3.858 4.496 0.059 5 0 "[ . 1 . 2]" 1
1084 1 19 PHE HE1 1 74 MET ME 2.838 . 3.845 3.219 2.878 3.522 . 0 0 "[ . 1 . 2]" 1
1085 1 25 ARG HA 1 25 ARG HB2 2.344 . 3.031 2.931 2.576 3.001 . 0 0 "[ . 1 . 2]" 1
1086 1 32 TYR HA 1 32 TYR HB3 2.708 . 3.625 2.493 2.476 2.505 . 0 0 "[ . 1 . 2]" 1
1087 1 18 LYS HB3 1 18 LYS QD 2.627 . 3.490 2.820 2.133 3.323 . 0 0 "[ . 1 . 2]" 1
1088 1 32 TYR HA 1 77 LYS HD3 2.601 . 3.447 1.875 1.799 1.981 . 0 0 "[ . 1 . 2]" 1
1089 1 88 MET HG3 1 104 ALA MB 2.655 . 3.536 3.417 3.214 3.555 0.019 6 0 "[ . 1 . 2]" 1
1090 1 86 THR MG 1 88 MET HG2 2.425 . 3.160 2.709 2.548 2.838 . 0 0 "[ . 1 . 2]" 1
1091 1 19 PHE HE1 1 42 ALA MB 2.807 . 3.792 2.863 2.409 3.442 . 0 0 "[ . 1 . 2]" 1
1092 1 25 ARG HA 1 29 LEU MD1 2.775 . 3.738 3.560 3.483 3.758 0.020 18 0 "[ . 1 . 2]" 1
1093 1 68 VAL HB 1 68 VAL QG 1.859 . 2.291 1.896 1.893 1.898 . 0 0 "[ . 1 . 2]" 1
1094 1 25 ARG HA 1 26 ILE MG 3.094 . 4.291 4.496 4.431 4.521 0.230 6 0 "[ . 1 . 2]" 1
1095 1 19 PHE HE1 1 37 LEU MD2 2.998 . 4.122 3.605 3.500 3.824 . 0 0 "[ . 1 . 2]" 1
1096 1 33 HIS HA 1 33 HIS HB3 2.770 . 3.729 2.986 2.972 2.999 . 0 0 "[ . 1 . 2]" 1
1097 1 13 PHE HZ 1 104 ALA MB 3.237 . 4.547 4.112 3.788 4.262 . 0 0 "[ . 1 . 2]" 1
1098 1 27 THR HB 1 27 THR MG 1.998 . 2.497 2.130 2.120 2.137 . 0 0 "[ . 1 . 2]" 1
1099 1 108 VAL HA 1 109 LEU H 2.541 . 3.348 2.097 2.083 2.123 . 0 0 "[ . 1 . 2]" 1
1100 1 75 LEU H 1 75 LEU HB3 3.219 . 4.514 3.248 3.214 3.291 . 0 0 "[ . 1 . 2]" 1
1101 1 46 TRP HB2 1 46 TRP HZ3 3.415 . 4.873 5.105 4.997 5.248 0.375 15 0 "[ . 1 . 2]" 1
1102 1 17 MET ME 1 46 TRP HH2 3.346 . 4.746 2.523 1.935 3.176 0.011 19 0 "[ . 1 . 2]" 1
1103 1 42 ALA MB 1 46 TRP HH2 3.407 . 4.858 4.305 3.730 4.847 . 0 0 "[ . 1 . 2]" 1
1104 1 8 THR HB 1 9 PHE H 2.797 . 3.775 3.892 3.857 3.917 0.142 15 0 "[ . 1 . 2]" 1
1105 1 8 THR HA 1 8 THR HB 2.627 . 3.490 3.020 3.016 3.024 . 0 0 "[ . 1 . 2]" 1
1106 1 8 THR HB 1 8 THR MG 2.281 . 2.931 2.125 2.123 2.127 . 0 0 "[ . 1 . 2]" 1
1107 1 47 HIS HE1 1 49 LEU H 2.839 . 3.846 3.609 3.278 3.787 . 0 0 "[ . 1 . 2]" 1
1108 1 62 CYS H 1 62 CYS HB3 3.284 . 4.632 3.219 2.540 4.120 . 0 0 "[ . 1 . 2]" 1
1109 1 62 CYS H 1 62 CYS HB2 3.252 . 4.574 3.283 2.451 4.043 . 0 0 "[ . 1 . 2]" 1
1110 1 60 ASN HB3 1 67 VAL QG 2.670 . 3.561 2.081 1.849 2.922 . 0 0 "[ . 1 . 2]" 1
1111 1 37 LEU MD2 1 45 PHE HZ 2.659 . 3.543 2.686 2.434 2.914 . 0 0 "[ . 1 . 2]" 1
1112 1 37 LEU HA 1 45 PHE HZ 3.072 . 4.252 3.882 3.628 4.106 . 0 0 "[ . 1 . 2]" 1
1113 1 99 PRO HA 1 100 GLN H 2.575 . 3.404 2.179 2.103 2.243 . 0 0 "[ . 1 . 2]" 1
1114 1 13 PHE HB2 1 13 PHE QE 3.183 . 4.450 4.348 4.329 4.367 . 0 0 "[ . 1 . 2]" 1
1115 1 13 PHE HB3 1 13 PHE QE 3.114 . 4.326 4.416 4.395 4.431 0.105 12 0 "[ . 1 . 2]" 1
1116 1 98 GLN H 1 99 PRO HD3 3.140 . 4.373 4.479 4.414 4.517 0.144 10 0 "[ . 1 . 2]" 1
1117 1 105 VAL H 1 105 VAL HA 2.944 . 4.027 2.932 2.924 2.939 . 0 0 "[ . 1 . 2]" 1
1118 1 47 HIS HB2 1 73 ARG HB3 2.335 . 3.016 2.515 2.249 3.573 0.557 9 1 "[ . +1 . 2]" 1
1119 1 30 ILE HA 1 30 ILE MG 2.138 . 2.709 2.080 2.050 2.122 . 0 0 "[ . 1 . 2]" 1
1120 1 30 ILE HA 1 76 ALA MB 2.531 . 3.332 3.198 3.160 3.253 . 0 0 "[ . 1 . 2]" 1
1121 1 66 GLN HE21 1 89 THR MG 2.846 . 3.858 3.912 3.441 4.407 0.549 12 1 "[ . 1 + . 2]" 1
1122 1 75 LEU H 1 81 TYR QE 3.036 . 4.188 3.987 3.847 4.130 . 0 0 "[ . 1 . 2]" 1
1123 1 113 GLU H 1 113 GLU HG2 2.656 . 3.538 2.636 2.440 2.903 . 0 0 "[ . 1 . 2]" 1
1124 1 113 GLU H 1 113 GLU HG3 2.697 . 3.606 2.220 2.109 2.611 . 0 0 "[ . 1 . 2]" 1
1125 1 83 TRP HD1 1 113 GLU HG3 3.225 . 4.525 4.469 3.924 4.619 0.094 8 0 "[ . 1 . 2]" 1
1126 1 48 ALA MB 1 49 LEU QD 2.342 . 3.028 2.197 1.815 2.327 . 0 0 "[ . 1 . 2]" 1
1127 1 88 MET HG2 1 104 ALA HA 3.006 . 4.135 3.349 2.936 3.760 . 0 0 "[ . 1 . 2]" 1
1128 1 66 GLN HE21 1 68 VAL MG2 2.829 . 3.829 3.344 2.683 3.735 . 0 0 "[ . 1 . 2]" 1
1129 1 90 VAL HB 1 92 TYR QD 3.033 . 4.183 3.649 3.590 3.699 . 0 0 "[ . 1 . 2]" 1
1130 1 76 ALA H 1 81 TYR HA 2.550 . 3.363 2.513 2.402 2.586 . 0 0 "[ . 1 . 2]" 1
1131 1 76 ALA H 1 76 ALA HA 2.702 . 3.614 2.914 2.909 2.920 . 0 0 "[ . 1 . 2]" 1
1132 1 75 LEU HA 1 76 ALA H 2.342 . 3.028 2.144 2.115 2.163 . 0 0 "[ . 1 . 2]" 1
1133 1 48 ALA H 1 48 ALA HA 2.353 . 3.045 2.763 2.712 2.805 . 0 0 "[ . 1 . 2]" 1
1134 1 47 HIS HA 1 48 ALA H 2.167 . 2.754 2.180 2.118 2.250 . 0 0 "[ . 1 . 2]" 1
1135 1 47 HIS HB3 1 48 ALA H 3.031 . 4.180 4.217 4.144 4.350 0.170 15 0 "[ . 1 . 2]" 1
1136 1 47 HIS HB2 1 48 ALA H 3.111 . 4.321 4.288 4.138 4.371 0.050 18 0 "[ . 1 . 2]" 1
1137 1 75 LEU HB3 1 76 ALA H 2.911 . 3.970 3.278 3.201 3.335 . 0 0 "[ . 1 . 2]" 1
1138 1 76 ALA H 1 76 ALA MB 2.237 . 2.862 2.251 2.235 2.268 . 0 0 "[ . 1 . 2]" 1
1139 1 48 ALA H 1 48 ALA MB 1.960 . 2.440 2.213 2.199 2.228 . 0 0 "[ . 1 . 2]" 1
1140 1 75 LEU MD2 1 76 ALA H 2.602 . 3.449 3.538 3.494 3.587 0.138 20 0 "[ . 1 . 2]" 1
1141 1 48 ALA H 1 49 LEU H 2.791 . 3.765 2.818 2.651 3.002 . 0 0 "[ . 1 . 2]" 1
1142 1 112 ILE HA 1 113 GLU H 2.046 . 2.569 2.154 2.104 2.186 . 0 0 "[ . 1 . 2]" 1
1143 1 113 GLU H 1 113 GLU HB2 2.476 . 3.242 3.223 2.797 3.707 0.465 1 0 "[ . 1 . 2]" 1
1144 1 42 ALA H 1 43 SER H 3.106 . 4.312 2.479 2.407 2.576 . 0 0 "[ . 1 . 2]" 1
1145 1 12 ARG HA 1 104 ALA H 2.970 . 4.072 2.738 2.636 2.819 . 0 0 "[ . 1 . 2]" 1
1146 1 103 MET HA 1 104 ALA H 2.350 . 3.040 2.158 2.135 2.172 . 0 0 "[ . 1 . 2]" 1
1147 1 41 SER HA 1 42 ALA H 2.735 . 3.670 2.252 2.194 2.315 . 0 0 "[ . 1 . 2]" 1
1148 1 103 MET QG 1 104 ALA H 2.893 . 3.940 3.916 3.497 4.070 0.130 6 0 "[ . 1 . 2]" 1
1149 1 103 MET HB3 1 104 ALA H 2.984 . 4.097 4.114 4.042 4.227 0.130 11 0 "[ . 1 . 2]" 1
1150 1 12 ARG QG 1 104 ALA H 3.119 . 4.335 3.292 3.076 3.520 . 0 0 "[ . 1 . 2]" 1
1151 1 74 MET HA 1 75 LEU H 2.388 . 3.101 2.182 2.149 2.211 . 0 0 "[ . 1 . 2]" 1
1152 1 86 THR HA 1 87 GLN H 2.482 . 3.252 2.108 2.075 2.147 . 0 0 "[ . 1 . 2]" 1
1153 1 9 PHE HA 1 10 LEU H 2.324 . 2.999 2.037 2.008 2.072 . 0 0 "[ . 1 . 2]" 1
1154 1 45 PHE HA 1 75 LEU H 2.971 . 4.075 3.308 3.142 3.530 . 0 0 "[ . 1 . 2]" 1
1155 1 75 LEU H 1 75 LEU HA 2.966 . 4.065 2.795 2.788 2.813 . 0 0 "[ . 1 . 2]" 1
1156 1 10 LEU H 1 23 ASP HB2 2.887 . 3.929 2.865 2.630 3.068 . 0 0 "[ . 1 . 2]" 1
1157 1 45 PHE HB2 1 75 LEU H 3.023 . 4.166 3.091 2.985 3.195 . 0 0 "[ . 1 . 2]" 1
1158 1 10 LEU H 1 23 ASP HB3 2.903 . 3.956 2.218 2.023 2.579 . 0 0 "[ . 1 . 2]" 1
1159 1 74 MET HG3 1 75 LEU H 2.793 . 3.768 2.356 2.270 2.447 . 0 0 "[ . 1 . 2]" 1
1160 1 74 MET HG2 1 75 LEU H 2.814 . 3.804 3.278 3.088 3.424 . 0 0 "[ . 1 . 2]" 1
1161 1 9 PHE HB2 1 10 LEU H 2.837 . 3.843 3.325 3.246 3.439 . 0 0 "[ . 1 . 2]" 1
1162 1 10 LEU H 1 10 LEU HB2 2.579 . 3.410 2.116 2.003 2.192 . 0 0 "[ . 1 . 2]" 1
1163 1 87 GLN H 1 87 GLN QB 2.912 . 3.972 2.435 2.266 2.620 . 0 0 "[ . 1 . 2]" 1
1164 1 75 LEU H 1 75 LEU HB2 2.459 . 3.215 2.040 2.030 2.052 . 0 0 "[ . 1 . 2]" 1
1165 1 10 LEU H 1 11 SER H 3.318 . 4.694 4.589 4.568 4.607 . 0 0 "[ . 1 . 2]" 1
1166 1 109 LEU H 1 109 LEU HA 2.944 . 4.027 2.881 2.866 2.900 . 0 0 "[ . 1 . 2]" 1
1167 1 91 ILE H 1 102 ILE HA 2.989 . 4.106 2.646 2.467 2.835 . 0 0 "[ . 1 . 2]" 1
1168 1 90 VAL HA 1 91 ILE H 2.562 . 3.382 2.165 2.141 2.190 . 0 0 "[ . 1 . 2]" 1
1169 1 91 ILE H 1 91 ILE HB 2.663 . 3.550 2.548 2.506 2.587 . 0 0 "[ . 1 . 2]" 1
1170 1 109 LEU H 1 109 LEU HG 2.831 . 3.833 3.945 3.914 3.976 0.143 15 0 "[ . 1 . 2]" 1
1171 1 109 LEU H 1 109 LEU QB 2.705 . 3.620 2.451 2.411 2.479 . 0 0 "[ . 1 . 2]" 1
1172 1 91 ILE H 1 91 ILE HG12 2.966 . 4.066 2.664 2.586 2.773 . 0 0 "[ . 1 . 2]" 1
1173 1 89 THR H 1 103 MET H 3.060 . 4.230 3.104 2.851 3.408 . 0 0 "[ . 1 . 2]" 1
1174 1 21 TYR HE2 1 23 ASP H 2.815 . 3.806 3.538 3.352 3.683 . 0 0 "[ . 1 . 2]" 1
1175 1 89 THR HA 1 90 VAL H 2.509 . 3.296 2.231 2.204 2.263 . 0 0 "[ . 1 . 2]" 1
1176 1 11 SER HA 1 23 ASP H 2.904 . 3.958 3.631 3.506 3.751 . 0 0 "[ . 1 . 2]" 1
1177 1 113 GLU HA 1 114 LYS H 1.735 . 2.111 2.131 2.102 2.222 0.111 5 0 "[ . 1 . 2]" 1
1178 1 23 ASP H 1 23 ASP HA 2.559 . 3.378 2.900 2.879 2.915 . 0 0 "[ . 1 . 2]" 1
1179 1 11 SER HB3 1 23 ASP H 3.150 . 4.390 3.956 3.797 4.445 0.055 14 0 "[ . 1 . 2]" 1
1180 1 22 CYS HA 1 23 ASP H 2.316 . 2.986 2.238 2.206 2.254 . 0 0 "[ . 1 . 2]" 1
1181 1 89 THR HB 1 90 VAL H 2.941 . 4.022 4.128 4.063 4.195 0.173 17 0 "[ . 1 . 2]" 1
1182 1 23 ASP H 1 23 ASP HB2 2.577 . 3.407 2.807 2.695 2.901 . 0 0 "[ . 1 . 2]" 1
1183 1 103 MET H 1 103 MET QG 3.006 . 4.135 3.917 3.779 4.073 . 0 0 "[ . 1 . 2]" 1
1184 1 92 TYR H 1 92 TYR HB2 2.910 . 3.968 2.469 2.430 2.500 . 0 0 "[ . 1 . 2]" 1
1185 1 22 CYS HB3 1 23 ASP H 2.938 . 4.017 3.715 3.540 3.909 . 0 0 "[ . 1 . 2]" 1
1186 1 22 CYS HB2 1 23 ASP H 2.866 . 3.893 3.576 3.083 4.106 0.213 19 0 "[ . 1 . 2]" 1
1187 1 90 VAL H 1 90 VAL HB 2.521 . 3.316 2.795 2.683 2.984 . 0 0 "[ . 1 . 2]" 1
1188 1 114 LYS H 1 114 LYS HB2 2.086 . 2.630 2.490 2.334 3.547 0.917 5 1 "[ + 1 . 2]" 1
1189 1 114 LYS H 1 114 LYS QD 2.726 . 3.655 3.697 3.487 3.800 0.145 5 0 "[ . 1 . 2]" 1
1190 1 10 LEU HB3 1 23 ASP H 3.219 . 4.514 4.438 4.055 4.602 0.088 13 0 "[ . 1 . 2]" 1
1191 1 114 LYS H 1 114 LYS QG 2.296 . 2.955 2.583 1.703 2.899 . 0 0 "[ . 1 . 2]" 1
1192 1 102 ILE MG 1 103 MET H 2.567 . 3.391 2.733 2.529 2.926 . 0 0 "[ . 1 . 2]" 1
1193 1 90 VAL H 1 90 VAL MG2 2.340 . 3.025 1.896 1.731 2.036 . 0 0 "[ . 1 . 2]" 1
1194 1 112 ILE MG 1 114 LYS H 2.692 . 3.598 3.115 2.517 3.413 . 0 0 "[ . 1 . 2]" 1
1195 1 23 ASP H 1 26 ILE MG 3.224 . 4.523 4.138 4.037 4.263 . 0 0 "[ . 1 . 2]" 1
1196 1 11 SER HA 1 22 CYS H 3.215 . 4.507 4.127 4.040 4.204 . 0 0 "[ . 1 . 2]" 1
1197 1 21 TYR HA 1 22 CYS H 2.040 . 2.560 2.176 2.153 2.202 . 0 0 "[ . 1 . 2]" 1
1198 1 92 TYR H 1 92 TYR HB3 2.906 . 3.962 3.584 3.554 3.605 . 0 0 "[ . 1 . 2]" 1
1199 1 83 TRP H 1 83 TRP HD1 2.739 . 3.677 3.207 3.110 3.412 . 0 0 "[ . 1 . 2]" 1
1200 1 87 GLN HA 1 88 MET H 2.477 . 3.244 2.154 2.123 2.193 . 0 0 "[ . 1 . 2]" 1
1201 1 83 TRP H 1 83 TRP HA 2.891 . 3.936 2.966 2.961 2.972 . 0 0 "[ . 1 . 2]" 1
1202 1 68 VAL HA 1 88 MET H 3.075 . 4.257 2.838 2.444 3.174 . 0 0 "[ . 1 . 2]" 1
1203 1 83 TRP H 1 110 SER QB 3.003 . 4.130 3.592 3.449 3.902 . 0 0 "[ . 1 . 2]" 1
1204 1 83 TRP H 1 83 TRP HB2 2.458 . 3.213 2.554 2.449 2.600 . 0 0 "[ . 1 . 2]" 1
1205 1 87 GLN QB 1 88 MET H 2.920 . 3.986 3.501 3.117 3.867 . 0 0 "[ . 1 . 2]" 1
1206 1 88 MET H 1 88 MET HB3 2.791 . 3.765 3.698 3.637 3.743 . 0 0 "[ . 1 . 2]" 1
1207 1 82 VAL HB 1 83 TRP H 2.622 . 3.481 3.777 3.751 3.797 0.316 16 0 "[ . 1 . 2]" 1
1208 1 88 MET H 1 88 MET HB2 2.921 . 3.987 2.512 2.419 2.585 . 0 0 "[ . 1 . 2]" 1
1209 1 83 TRP H 1 108 VAL MG2 2.967 . 4.067 3.937 3.892 3.989 . 0 0 "[ . 1 . 2]" 1
1210 1 11 SER H 1 106 ASN H 3.407 . 4.858 4.087 3.707 4.213 . 0 0 "[ . 1 . 2]" 1
1211 1 47 HIS H 1 72 TYR QD 2.711 . 3.630 3.189 2.753 3.661 0.031 10 0 "[ . 1 . 2]" 1
1212 1 106 ASN H 1 106 ASN HD22 2.922 . 3.989 3.708 3.639 3.876 . 0 0 "[ . 1 . 2]" 1
1213 1 47 HIS H 1 81 TYR QE 2.972 . 4.076 3.123 2.786 3.344 . 0 0 "[ . 1 . 2]" 1
1214 1 106 ASN H 1 106 ASN HD21 2.799 . 3.778 2.444 2.165 2.582 . 0 0 "[ . 1 . 2]" 1
1215 1 46 TRP HA 1 47 HIS H 2.330 . 3.009 2.144 2.117 2.197 . 0 0 "[ . 1 . 2]" 1
1216 1 47 HIS H 1 47 HIS HA 2.626 . 3.488 2.772 2.742 2.801 . 0 0 "[ . 1 . 2]" 1
1217 1 105 VAL HA 1 106 ASN H 2.293 . 2.950 2.135 2.118 2.141 . 0 0 "[ . 1 . 2]" 1
1218 1 46 TRP HB2 1 47 HIS H 2.960 . 4.055 4.253 4.107 4.412 0.357 20 0 "[ . 1 . 2]" 1
1219 1 47 HIS H 1 47 HIS HB2 2.526 . 3.324 2.484 2.355 2.669 . 0 0 "[ . 1 . 2]" 1
1220 1 106 ASN H 1 106 ASN HB3 2.835 . 3.840 3.705 3.669 3.716 . 0 0 "[ . 1 . 2]" 1
1221 1 106 ASN H 1 106 ASN HB2 2.752 . 3.699 2.588 2.487 2.620 . 0 0 "[ . 1 . 2]" 1
1222 1 74 MET H 1 82 VAL H 2.812 . 3.800 2.730 2.675 2.847 . 0 0 "[ . 1 . 2]" 1
1223 1 33 HIS H 1 36 GLU H 2.992 . 4.111 3.935 3.712 4.056 . 0 0 "[ . 1 . 2]" 1
1224 1 83 TRP HE3 1 84 LEU H 2.963 . 4.061 4.084 3.933 4.183 0.122 1 0 "[ . 1 . 2]" 1
1225 1 32 TYR QD 1 33 HIS H 2.651 . 3.529 3.609 3.536 3.673 0.144 3 0 "[ . 1 . 2]" 1
1226 1 74 MET H 1 74 MET HA 2.865 . 3.891 2.945 2.942 2.951 . 0 0 "[ . 1 . 2]" 1
1227 1 84 LEU H 1 84 LEU HA 2.888 . 3.930 2.875 2.854 2.892 . 0 0 "[ . 1 . 2]" 1
1228 1 83 TRP HA 1 84 LEU H 2.407 . 3.131 2.170 2.152 2.202 . 0 0 "[ . 1 . 2]" 1
1229 1 107 TYR HA 1 108 VAL H 2.402 . 3.123 2.180 2.149 2.208 . 0 0 "[ . 1 . 2]" 1
1230 1 33 HIS H 1 33 HIS HA 2.743 . 3.684 2.879 2.859 2.910 . 0 0 "[ . 1 . 2]" 1
1231 1 73 ARG HA 1 84 LEU H 2.877 . 3.911 3.636 3.394 4.061 0.150 10 0 "[ . 1 . 2]" 1
1232 1 73 ARG HA 1 74 MET H 2.460 . 3.216 2.129 2.098 2.174 . 0 0 "[ . 1 . 2]" 1
1233 1 3 PHE HA 1 4 LEU H 2.506 . 3.291 2.740 2.082 3.500 0.209 14 0 "[ . 1 . 2]" 1
1234 1 32 TYR HA 1 33 HIS H 2.171 . 2.760 2.175 2.144 2.227 . 0 0 "[ . 1 . 2]" 1
1235 1 108 VAL H 1 108 VAL HA 2.903 . 3.956 2.914 2.908 2.926 . 0 0 "[ . 1 . 2]" 1
1236 1 4 LEU H 1 4 LEU HA 2.856 . 3.875 2.607 2.254 2.931 . 0 0 "[ . 1 . 2]" 1
1237 1 33 HIS H 1 33 HIS HB3 2.402 . 3.123 2.836 2.779 2.917 . 0 0 "[ . 1 . 2]" 1
1238 1 33 HIS H 1 33 HIS HB2 2.408 . 3.133 2.387 2.335 2.494 . 0 0 "[ . 1 . 2]" 1
1239 1 83 TRP HB3 1 84 LEU H 2.874 . 3.906 3.561 3.509 3.621 . 0 0 "[ . 1 . 2]" 1
1240 1 3 PHE HB2 1 4 LEU H 3.003 . 4.130 3.658 2.282 4.441 0.311 5 0 "[ . 1 . 2]" 1
1241 1 3 PHE HB3 1 4 LEU H 3.097 . 4.296 3.727 1.862 4.320 0.036 13 0 "[ . 1 . 2]" 1
1242 1 33 HIS H 1 36 GLU HG3 2.805 . 3.788 2.268 2.033 2.454 . 0 0 "[ . 1 . 2]" 1
1243 1 74 MET H 1 81 TYR QB 3.052 . 4.217 4.322 4.293 4.363 0.146 20 0 "[ . 1 . 2]" 1
1244 1 107 TYR QB 1 108 VAL H 2.801 . 3.782 2.832 2.783 2.868 . 0 0 "[ . 1 . 2]" 1
1245 1 33 HIS H 1 36 GLU HB2 2.915 . 3.977 2.732 2.624 2.931 . 0 0 "[ . 1 . 2]" 1
1246 1 33 HIS H 1 36 GLU HG2 2.812 . 3.800 3.582 3.426 3.828 0.028 17 0 "[ . 1 . 2]" 1
1247 1 52 GLU H 1 52 GLU HG2 3.059 . 4.229 4.398 4.365 4.439 0.210 4 0 "[ . 1 . 2]" 1
1248 1 33 HIS H 1 36 GLU HB3 2.826 . 3.824 3.869 3.751 3.958 0.134 18 0 "[ . 1 . 2]" 1
1249 1 74 MET H 1 74 MET HB2 2.687 . 3.590 3.167 3.071 3.226 . 0 0 "[ . 1 . 2]" 1
1250 1 74 MET H 1 74 MET HB3 2.685 . 3.586 2.512 2.458 2.574 . 0 0 "[ . 1 . 2]" 1
1251 1 7 LYS HB2 1 108 VAL H 3.137 . 4.367 3.351 3.049 3.734 . 0 0 "[ . 1 . 2]" 1
1252 1 32 TYR HB3 1 33 HIS H 2.753 . 3.701 3.043 2.653 3.197 . 0 0 "[ . 1 . 2]" 1
1253 1 33 HIS H 1 77 LYS HD3 2.980 . 4.090 3.426 3.276 3.725 . 0 0 "[ . 1 . 2]" 1
1254 1 84 LEU H 1 84 LEU HB2 2.905 . 3.960 3.867 3.824 3.922 . 0 0 "[ . 1 . 2]" 1
1255 1 93 ASN H 1 100 GLN H 3.214 . 4.506 3.722 3.345 3.932 . 0 0 "[ . 1 . 2]" 1
1256 1 20 THR H 1 21 TYR H 2.291 . 2.947 1.814 1.767 1.878 . 0 0 "[ . 1 . 2]" 1
1257 1 87 GLN H 1 105 VAL H 2.885 . 3.925 3.029 2.846 3.335 . 0 0 "[ . 1 . 2]" 1
1258 1 12 ARG H 1 21 TYR H 2.786 . 3.756 2.607 2.515 2.761 . 0 0 "[ . 1 . 2]" 1
1259 1 21 TYR H 1 22 CYS H 3.045 . 4.204 4.252 4.222 4.277 0.073 5 0 "[ . 1 . 2]" 1
1260 1 19 PHE HD2 1 21 TYR H 2.881 . 3.919 3.461 3.208 3.625 . 0 0 "[ . 1 . 2]" 1
1261 1 107 TYR H 1 107 TYR QD 2.508 . 3.294 3.234 3.174 3.260 . 0 0 "[ . 1 . 2]" 1
1262 1 92 TYR QD 1 93 ASN H 2.965 . 4.064 4.086 3.909 4.191 0.127 6 0 "[ . 1 . 2]" 1
1263 1 107 TYR H 1 107 TYR QE 3.042 . 4.198 4.306 4.266 4.363 0.165 6 0 "[ . 1 . 2]" 1
1264 1 104 ALA HA 1 105 VAL H 2.384 . 3.094 2.057 2.040 2.076 . 0 0 "[ . 1 . 2]" 1
1265 1 106 ASN HA 1 107 TYR H 2.299 . 2.960 2.190 2.178 2.201 . 0 0 "[ . 1 . 2]" 1
1266 1 107 TYR H 1 107 TYR HA 2.901 . 3.953 2.903 2.896 2.910 . 0 0 "[ . 1 . 2]" 1
1267 1 93 ASN H 1 93 ASN HA 2.488 . 3.262 2.880 2.849 2.914 . 0 0 "[ . 1 . 2]" 1
1268 1 21 TYR H 1 21 TYR HA 2.615 . 3.470 2.898 2.887 2.908 . 0 0 "[ . 1 . 2]" 1
1269 1 19 PHE HA 1 21 TYR H 2.533 . 3.335 3.353 3.299 3.425 0.090 10 0 "[ . 1 . 2]" 1
1270 1 93 ASN H 1 97 LEU HA 2.785 . 3.755 3.225 3.127 3.359 . 0 0 "[ . 1 . 2]" 1
1271 1 93 ASN H 1 93 ASN HB3 2.662 . 3.547 2.473 2.373 2.574 . 0 0 "[ . 1 . 2]" 1
1272 1 21 TYR H 1 21 TYR HB2 2.777 . 3.741 3.473 3.442 3.501 . 0 0 "[ . 1 . 2]" 1
1273 1 107 TYR H 1 107 TYR QB 2.461 . 3.218 3.265 3.249 3.279 0.061 20 0 "[ . 1 . 2]" 1
1274 1 93 ASN H 1 93 ASN HB2 2.677 . 3.573 2.648 2.528 2.817 . 0 0 "[ . 1 . 2]" 1
1275 1 92 TYR HB2 1 93 ASN H 2.937 . 4.015 3.784 3.614 3.906 . 0 0 "[ . 1 . 2]" 1
1276 1 21 TYR H 1 21 TYR HB3 2.615 . 3.470 2.886 2.850 2.949 . 0 0 "[ . 1 . 2]" 1
1277 1 106 ASN HB3 1 107 TYR H 2.859 . 3.881 3.128 3.072 3.203 . 0 0 "[ . 1 . 2]" 1
1278 1 106 ASN HB2 1 107 TYR H 2.913 . 3.974 4.009 3.977 4.075 0.101 6 0 "[ . 1 . 2]" 1
1279 1 84 LEU HB2 1 107 TYR H 2.822 . 3.818 2.540 2.461 2.648 . 0 0 "[ . 1 . 2]" 1
1280 1 20 THR MG 1 21 TYR H 2.825 . 3.822 3.919 3.864 3.959 0.137 9 0 "[ . 1 . 2]" 1
1281 1 84 LEU HB3 1 107 TYR H 3.095 . 4.292 3.671 3.582 3.764 . 0 0 "[ . 1 . 2]" 1
1282 1 84 LEU MD2 1 107 TYR H 2.910 . 3.969 4.172 4.147 4.209 0.240 7 0 "[ . 1 . 2]" 1
1283 1 21 TYR H 1 38 LEU MD1 3.117 . 4.332 4.331 4.259 4.370 0.038 20 0 "[ . 1 . 2]" 1
1284 1 27 THR H 1 30 ILE H 3.341 . 4.737 4.572 4.537 4.613 . 0 0 "[ . 1 . 2]" 1
1285 1 56 LYS H 1 57 SER H 2.659 . 3.543 2.650 2.437 2.782 . 0 0 "[ . 1 . 2]" 1
1286 1 72 TYR H 1 72 TYR QD 3.011 . 4.145 2.591 2.371 2.823 . 0 0 "[ . 1 . 2]" 1
1287 1 72 TYR QD 1 86 THR H 3.201 . 4.482 3.221 2.958 3.526 . 0 0 "[ . 1 . 2]" 1
1288 1 72 TYR QE 1 86 THR H 2.806 . 3.790 2.505 2.275 3.171 . 0 0 "[ . 1 . 2]" 1
1289 1 4 LEU HA 1 5 ASP H 3.181 . 4.446 2.669 2.105 3.583 . 0 0 "[ . 1 . 2]" 1
1290 1 55 THR HB 1 56 LYS H 2.525 . 3.322 2.598 2.468 2.744 . 0 0 "[ . 1 . 2]" 1
1291 1 56 LYS H 1 56 LYS HA 2.495 . 3.273 2.812 2.772 2.841 . 0 0 "[ . 1 . 2]" 1
1292 1 7 LYS H 1 7 LYS HB3 3.005 . 4.134 3.776 3.582 4.040 . 0 0 "[ . 1 . 2]" 1
1293 1 87 GLN QB 1 105 VAL H 3.145 . 4.381 2.820 2.507 3.170 . 0 0 "[ . 1 . 2]" 1
1294 1 56 LYS H 1 56 LYS QB 2.237 . 2.862 2.324 2.230 2.708 . 0 0 "[ . 1 . 2]" 1
1295 1 7 LYS H 1 7 LYS HB2 2.846 . 3.858 2.862 2.388 3.511 . 0 0 "[ . 1 . 2]" 1
1296 1 56 LYS H 1 56 LYS HG2 2.691 . 3.596 3.542 1.804 3.875 0.279 10 0 "[ . 1 . 2]" 1
1297 1 86 THR H 1 86 THR MG 2.950 . 4.038 3.825 3.798 3.863 . 0 0 "[ . 1 . 2]" 1
1298 1 55 THR MG 1 56 LYS H 2.744 . 3.685 3.481 3.281 3.605 . 0 0 "[ . 1 . 2]" 1
1299 1 7 LYS H 1 7 LYS HG3 3.042 . 4.199 4.145 3.821 4.439 0.240 12 0 "[ . 1 . 2]" 1
1300 1 54 MET ME 1 86 THR H 3.052 . 4.216 4.029 3.912 4.143 . 0 0 "[ . 1 . 2]" 1
1301 1 27 THR H 1 28 GLU H 2.404 . 3.126 2.371 2.334 2.403 . 0 0 "[ . 1 . 2]" 1
1302 1 27 THR H 1 29 LEU H 3.010 . 4.143 3.901 3.863 3.934 . 0 0 "[ . 1 . 2]" 1
1303 1 111 GLU HA 1 112 ILE H 2.079 . 2.619 2.677 2.621 2.711 0.092 18 0 "[ . 1 . 2]" 1
1304 1 76 ALA HA 1 77 LYS H 2.403 . 3.125 2.374 2.322 2.435 . 0 0 "[ . 1 . 2]" 1
1305 1 112 ILE H 1 112 ILE HA 2.467 . 3.228 2.740 2.723 2.768 . 0 0 "[ . 1 . 2]" 1
1306 1 27 THR H 1 27 THR HA 2.457 . 3.212 2.865 2.860 2.871 . 0 0 "[ . 1 . 2]" 1
1307 1 26 ILE HA 1 27 THR H 2.831 . 3.833 3.519 3.511 3.527 . 0 0 "[ . 1 . 2]" 1
1308 1 43 SER HB3 1 44 GLU H 3.007 . 4.138 3.926 3.201 4.255 0.117 18 0 "[ . 1 . 2]" 1
1309 1 111 GLU HG2 1 112 ILE H 2.562 . 3.382 3.427 2.095 4.199 0.817 18 1 "[ . 1 . + 2]" 1
1310 1 111 GLU QB 1 112 ILE H 2.206 . 2.814 1.879 1.758 2.504 . 0 0 "[ . 1 . 2]" 1
1311 1 112 ILE H 1 112 ILE HB 2.046 . 2.569 2.537 2.426 2.584 0.015 5 0 "[ . 1 . 2]" 1
1312 1 112 ILE H 1 112 ILE HG13 2.233 . 2.856 2.962 2.924 3.012 0.156 2 0 "[ . 1 . 2]" 1
1313 1 44 GLU H 1 44 GLU HB2 2.293 . 2.950 2.420 2.330 2.584 . 0 0 "[ . 1 . 2]" 1
1314 1 30 ILE MG 1 77 LYS H 2.615 . 3.470 2.415 2.161 2.584 . 0 0 "[ . 1 . 2]" 1
1315 1 112 ILE H 1 112 ILE MD 2.195 . 2.797 1.676 1.623 1.712 . 0 0 "[ . 1 . 2]" 1
1316 1 82 VAL QG 1 112 ILE H 2.588 . 3.425 3.298 3.130 3.447 0.022 2 0 "[ . 1 . 2]" 1
1317 1 27 THR H 1 27 THR HG1 2.779 . 3.744 2.431 2.366 2.460 . 0 0 "[ . 1 . 2]" 1
1318 1 26 ILE MG 1 27 THR H 2.217 . 2.831 2.042 2.011 2.076 . 0 0 "[ . 1 . 2]" 1
1319 1 77 LYS H 1 77 LYS HB2 2.552 . 3.366 2.486 2.446 2.553 . 0 0 "[ . 1 . 2]" 1
1320 1 19 PHE H 1 20 THR H 3.240 . 4.552 4.448 4.408 4.473 . 0 0 "[ . 1 . 2]" 1
1321 1 19 PHE H 1 39 GLY H 3.050 . 4.213 3.320 3.092 3.509 . 0 0 "[ . 1 . 2]" 1
1322 1 57 SER H 1 58 HIS H 2.804 . 3.787 2.749 2.626 2.866 . 0 0 "[ . 1 . 2]" 1
1323 1 19 PHE H 1 19 PHE HD1 2.360 . 3.056 2.915 2.784 3.081 0.025 19 0 "[ . 1 . 2]" 1
1324 1 28 GLU H 1 29 LEU H 2.326 . 3.003 2.464 2.415 2.499 . 0 0 "[ . 1 . 2]" 1
1325 1 18 LYS HA 1 19 PHE H 2.411 . 3.138 2.166 2.096 2.245 . 0 0 "[ . 1 . 2]" 1
1326 1 66 GLN HA 1 67 VAL H 2.680 . 3.578 2.491 2.250 2.648 . 0 0 "[ . 1 . 2]" 1
1327 1 19 PHE H 1 41 SER HA 2.804 . 3.787 3.082 2.757 3.465 . 0 0 "[ . 1 . 2]" 1
1328 1 67 VAL H 1 67 VAL HA 2.919 . 3.984 2.916 2.896 2.937 . 0 0 "[ . 1 . 2]" 1
1329 1 19 PHE H 1 19 PHE HA 2.756 . 3.705 2.848 2.823 2.877 . 0 0 "[ . 1 . 2]" 1
1330 1 25 ARG HA 1 28 GLU H 2.708 . 3.625 3.169 3.012 3.244 . 0 0 "[ . 1 . 2]" 1
1331 1 28 GLU H 1 28 GLU HA 2.194 . 2.796 2.838 2.828 2.847 0.051 7 0 "[ . 1 . 2]" 1
1332 1 27 THR HB 1 28 GLU H 2.278 . 2.927 2.923 2.884 2.940 0.013 6 0 "[ . 1 . 2]" 1
1333 1 27 THR HA 1 28 GLU H 2.803 . 3.785 3.434 3.414 3.453 . 0 0 "[ . 1 . 2]" 1
1334 1 19 PHE H 1 19 PHE HB2 2.697 . 3.606 2.147 2.111 2.176 . 0 0 "[ . 1 . 2]" 1
1335 1 58 HIS H 1 58 HIS HB3 2.719 . 3.643 2.537 2.323 2.841 . 0 0 "[ . 1 . 2]" 1
1336 1 13 PHE H 1 13 PHE HB3 3.197 . 4.474 3.716 3.691 3.775 . 0 0 "[ . 1 . 2]" 1
1337 1 23 ASP HB3 1 25 ARG H 3.049 . 4.211 3.543 3.471 3.677 . 0 0 "[ . 1 . 2]" 1
1338 1 58 HIS H 1 58 HIS HB2 2.637 . 3.506 2.578 2.345 2.718 . 0 0 "[ . 1 . 2]" 1
1339 1 24 ASP QB 1 25 ARG H 2.928 . 4.000 3.361 2.781 3.753 . 0 0 "[ . 1 . 2]" 1
1340 1 19 PHE H 1 19 PHE HB3 2.647 . 3.523 3.451 3.419 3.475 . 0 0 "[ . 1 . 2]" 1
1341 1 12 ARG HB3 1 13 PHE H 2.964 . 4.062 2.934 2.684 3.085 . 0 0 "[ . 1 . 2]" 1
1342 1 28 GLU H 1 28 GLU HB3 2.149 . 2.726 2.087 2.056 2.119 . 0 0 "[ . 1 . 2]" 1
1343 1 28 GLU H 1 29 LEU HG 2.840 . 3.848 3.466 3.409 3.525 . 0 0 "[ . 1 . 2]" 1
1344 1 18 LYS HB2 1 19 PHE H 2.956 . 4.048 4.071 3.911 4.220 0.172 8 0 "[ . 1 . 2]" 1
1345 1 18 LYS QD 1 19 PHE H 3.037 . 4.190 4.285 3.962 4.393 0.203 19 0 "[ . 1 . 2]" 1
1346 1 18 LYS HB3 1 19 PHE H 2.730 . 3.661 2.875 2.637 3.118 . 0 0 "[ . 1 . 2]" 1
1347 1 18 LYS QG 1 19 PHE H 2.884 . 3.924 3.478 3.272 3.734 . 0 0 "[ . 1 . 2]" 1
1348 1 26 ILE MG 1 28 GLU H 2.995 . 4.116 4.025 3.978 4.073 . 0 0 "[ . 1 . 2]" 1
1349 1 13 PHE H 1 102 ILE H 3.139 . 4.371 2.637 2.374 2.845 . 0 0 "[ . 1 . 2]" 1
1350 1 39 GLY H 1 40 ARG H 2.381 . 3.090 2.033 1.913 2.121 . 0 0 "[ . 1 . 2]" 1
1351 1 19 PHE H 1 40 ARG H 2.990 . 4.108 3.267 3.070 3.481 . 0 0 "[ . 1 . 2]" 1
1352 1 54 MET H 1 55 THR H 2.604 . 3.452 2.688 2.514 2.805 . 0 0 "[ . 1 . 2]" 1
1353 1 55 THR H 1 56 LYS H 2.544 . 3.353 2.614 2.365 2.732 . 0 0 "[ . 1 . 2]" 1
1354 1 73 ARG H 1 73 ARG HE 3.065 . 4.239 4.032 2.966 4.455 0.216 9 0 "[ . 1 . 2]" 1
1355 1 45 PHE H 1 46 TRP H 2.364 . 3.063 2.254 2.125 2.508 . 0 0 "[ . 1 . 2]" 1
1356 1 72 TYR QD 1 73 ARG H 2.982 . 4.093 2.924 2.433 3.217 . 0 0 "[ . 1 . 2]" 1
1357 1 46 TRP H 1 46 TRP HA 2.720 . 3.645 2.814 2.772 2.869 . 0 0 "[ . 1 . 2]" 1
1358 1 12 ARG HA 1 13 PHE H 2.532 . 3.333 2.191 2.156 2.266 . 0 0 "[ . 1 . 2]" 1
1359 1 13 PHE H 1 103 MET HA 3.178 . 4.441 4.371 4.251 4.509 0.068 7 0 "[ . 1 . 2]" 1
1360 1 101 CYS HA 1 102 ILE H 2.718 . 3.642 2.406 2.219 2.516 . 0 0 "[ . 1 . 2]" 1
1361 1 40 ARG H 1 40 ARG HA 2.462 . 3.220 2.946 2.939 2.954 . 0 0 "[ . 1 . 2]" 1
1362 1 23 ASP HA 1 24 ASP H 2.172 . 2.762 2.292 2.231 2.331 . 0 0 "[ . 1 . 2]" 1
1363 1 55 THR H 1 55 THR HB 2.318 . 2.989 2.544 2.467 2.649 . 0 0 "[ . 1 . 2]" 1
1364 1 39 GLY HA2 1 40 ARG H 2.572 . 3.399 3.326 3.232 3.376 . 0 0 "[ . 1 . 2]" 1
1365 1 53 ASN HA 1 54 MET H 2.728 . 3.658 3.527 3.503 3.575 . 0 0 "[ . 1 . 2]" 1
1366 1 54 MET H 1 54 MET HA 2.461 . 3.218 2.806 2.773 2.868 . 0 0 "[ . 1 . 2]" 1
1367 1 55 THR H 1 55 THR HA 2.498 . 3.278 2.824 2.792 2.865 . 0 0 "[ . 1 . 2]" 1
1368 1 39 GLY HA3 1 40 ARG H 2.456 . 3.210 3.209 3.161 3.295 0.085 13 0 "[ . 1 . 2]" 1
1369 1 51 SER HA 1 54 MET H 2.697 . 3.606 3.555 3.273 3.736 0.130 19 0 "[ . 1 . 2]" 1
1370 1 19 PHE HB2 1 40 ARG H 2.796 . 3.773 2.724 2.597 2.897 . 0 0 "[ . 1 . 2]" 1
1371 1 23 ASP HB2 1 24 ASP H 2.647 . 3.523 3.742 3.673 3.780 0.257 20 0 "[ . 1 . 2]" 1
1372 1 101 CYS HB2 1 102 ILE H 2.622 . 3.482 3.124 2.223 3.823 0.341 14 0 "[ . 1 . 2]" 1
1373 1 13 PHE H 1 13 PHE HB2 3.174 . 4.433 2.551 2.509 2.655 . 0 0 "[ . 1 . 2]" 1
1374 1 24 ASP H 1 24 ASP QB 2.191 . 2.791 2.377 2.183 2.586 . 0 0 "[ . 1 . 2]" 1
1375 1 53 ASN HB2 1 54 MET H 2.665 . 3.553 3.714 3.613 3.800 0.247 11 0 "[ . 1 . 2]" 1
1376 1 53 ASN HB3 1 54 MET H 2.701 . 3.613 2.436 2.339 2.581 . 0 0 "[ . 1 . 2]" 1
1377 1 71 GLN H 1 71 GLN HG2 2.482 . 3.252 3.016 1.774 3.742 0.490 2 0 "[ . 1 . 2]" 1
1378 1 71 GLN H 1 71 GLN HG3 2.669 . 3.560 2.693 1.840 3.524 . 0 0 "[ . 1 . 2]" 1
1379 1 19 PHE HB3 1 40 ARG H 2.872 . 3.903 4.041 3.997 4.073 0.170 17 0 "[ . 1 . 2]" 1
1380 1 40 ARG H 1 40 ARG HB3 2.384 . 3.094 2.926 2.841 3.055 . 0 0 "[ . 1 . 2]" 1
1381 1 102 ILE H 1 102 ILE HB 2.808 . 3.793 2.581 2.487 2.715 . 0 0 "[ . 1 . 2]" 1
1382 1 49 LEU H 1 49 LEU HB2 2.783 . 3.751 2.688 2.427 2.789 . 0 0 "[ . 1 . 2]" 1
1383 1 13 PHE H 1 102 ILE HB 2.824 . 3.821 2.415 2.185 2.534 . 0 0 "[ . 1 . 2]" 1
1384 1 40 ARG H 1 40 ARG HG2 2.375 . 3.080 2.427 2.336 2.534 . 0 0 "[ . 1 . 2]" 1
1385 1 40 ARG H 1 40 ARG HG3 2.440 . 3.184 3.288 3.119 3.350 0.166 7 0 "[ . 1 . 2]" 1
1386 1 73 ARG H 1 73 ARG HB2 2.831 . 3.833 2.329 2.189 3.033 . 0 0 "[ . 1 . 2]" 1
1387 1 73 ARG H 1 73 ARG HB3 2.886 . 3.927 3.287 2.857 3.625 . 0 0 "[ . 1 . 2]" 1
1388 1 54 MET HB3 1 55 THR H 2.902 . 3.955 3.656 3.232 4.291 0.336 8 0 "[ . 1 . 2]" 1
1389 1 54 MET H 1 54 MET HB2 2.929 . 4.001 2.551 2.178 3.656 . 0 0 "[ . 1 . 2]" 1
1390 1 73 ARG H 1 73 ARG HG3 3.083 . 4.271 3.719 1.916 4.418 0.147 13 0 "[ . 1 . 2]" 1
1391 1 52 GLU H 1 53 ASN H 2.948 . 4.034 2.734 2.626 2.817 . 0 0 "[ . 1 . 2]" 1
1392 1 53 ASN H 1 54 MET H 2.478 . 3.245 2.735 2.640 2.884 . 0 0 "[ . 1 . 2]" 1
1393 1 12 ARG H 1 21 TYR QD 2.793 . 3.768 3.005 2.763 3.148 . 0 0 "[ . 1 . 2]" 1
1394 1 50 ASP HA 1 53 ASN H 2.948 . 4.034 3.629 3.275 3.983 . 0 0 "[ . 1 . 2]" 1
1395 1 52 GLU HA 1 53 ASN H 2.586 . 3.422 3.524 3.510 3.545 0.123 13 0 "[ . 1 . 2]" 1
1396 1 53 ASN H 1 53 ASN HB2 2.245 . 2.875 2.402 2.209 2.594 . 0 0 "[ . 1 . 2]" 1
1397 1 53 ASN H 1 53 ASN HB3 2.328 . 3.005 2.527 2.293 2.768 . 0 0 "[ . 1 . 2]" 1
1398 1 52 GLU HG2 1 53 ASN H 2.758 . 3.709 3.411 3.232 3.601 . 0 0 "[ . 1 . 2]" 1
1399 1 12 ARG H 1 21 TYR HB3 2.981 . 4.092 2.551 2.358 2.764 . 0 0 "[ . 1 . 2]" 1
1400 1 52 GLU HB3 1 53 ASN H 2.321 . 2.994 2.196 2.151 2.289 . 0 0 "[ . 1 . 2]" 1
1401 1 93 ASN H 1 98 GLN H 2.804 . 3.787 2.626 2.476 2.734 . 0 0 "[ . 1 . 2]" 1
1402 1 12 ARG H 1 19 PHE HD2 3.129 . 4.353 3.945 3.732 4.126 . 0 0 "[ . 1 . 2]" 1
1403 1 96 ASN H 1 98 GLN H 2.798 . 3.777 3.467 3.380 3.612 . 0 0 "[ . 1 . 2]" 1
1404 1 110 SER QB 1 111 GLU H 2.620 . 3.478 2.729 2.515 3.234 . 0 0 "[ . 1 . 2]" 1
1405 1 11 SER HB2 1 12 ARG H 2.642 . 3.515 2.618 2.486 3.375 . 0 0 "[ . 1 . 2]" 1
1406 1 97 LEU HA 1 98 GLN H 2.482 . 3.252 2.640 2.611 2.680 . 0 0 "[ . 1 . 2]" 1
1407 1 93 ASN HB3 1 98 GLN H 2.548 . 3.359 2.569 2.258 2.862 . 0 0 "[ . 1 . 2]" 1
1408 1 98 GLN H 1 98 GLN QG 2.211 . 2.822 2.881 2.845 2.936 0.114 12 0 "[ . 1 . 2]" 1
1409 1 98 GLN H 1 98 GLN HB2 2.160 . 2.743 2.400 2.341 2.464 . 0 0 "[ . 1 . 2]" 1
1410 1 97 LEU MD1 1 98 GLN H 2.855 . 3.874 4.010 3.985 4.033 0.159 14 0 "[ . 1 . 2]" 1
1411 1 35 GLU H 1 36 GLU H 2.318 . 2.990 2.759 2.686 2.925 . 0 0 "[ . 1 . 2]" 1
1412 1 81 TYR QE 1 82 VAL H 3.262 . 4.592 4.693 4.648 4.769 0.177 20 0 "[ . 1 . 2]" 1
1413 1 111 GLU H 1 111 GLU HA 2.567 . 3.391 2.878 2.856 2.899 . 0 0 "[ . 1 . 2]" 1
1414 1 36 GLU H 1 36 GLU HA 2.300 . 2.962 2.839 2.831 2.850 . 0 0 "[ . 1 . 2]" 1
1415 1 49 LEU HA 1 50 ASP H 2.765 . 3.721 3.236 3.170 3.323 . 0 0 "[ . 1 . 2]" 1
1416 1 35 GLU HA 1 36 GLU H 2.716 . 3.638 3.500 3.467 3.556 . 0 0 "[ . 1 . 2]" 1
1417 1 35 GLU HA 1 37 LEU H 2.857 . 3.878 3.633 3.546 3.813 . 0 0 "[ . 1 . 2]" 1
1418 1 40 ARG HD2 1 41 SER H 3.071 . 4.250 4.451 4.333 4.569 0.319 17 0 "[ . 1 . 2]" 1
1419 1 34 PRO HA 1 36 GLU H 3.051 . 4.215 4.158 4.095 4.214 . 0 0 "[ . 1 . 2]" 1
1420 1 33 HIS HB2 1 36 GLU H 2.804 . 3.786 3.903 3.861 3.925 0.139 2 0 "[ . 1 . 2]" 1
1421 1 33 HIS HB3 1 36 GLU H 2.704 . 3.618 2.231 2.192 2.308 . 0 0 "[ . 1 . 2]" 1
1422 1 36 GLU H 1 36 GLU HG3 2.479 . 3.247 3.270 2.433 3.516 0.269 7 0 "[ . 1 . 2]" 1
1423 1 36 GLU H 1 36 GLU HG2 2.400 . 3.120 2.645 2.300 3.231 0.111 14 0 "[ . 1 . 2]" 1
1424 1 36 GLU H 1 36 GLU HB2 2.326 . 3.002 2.307 2.210 2.474 . 0 0 "[ . 1 . 2]" 1
1425 1 40 ARG HB2 1 41 SER H 2.558 . 3.376 2.095 2.016 2.172 . 0 0 "[ . 1 . 2]" 1
1426 1 64 LYS HB3 1 66 GLN H 2.988 . 4.104 3.859 3.226 4.138 0.034 1 0 "[ . 1 . 2]" 1
1427 1 40 ARG HG2 1 41 SER H 2.797 . 3.775 3.798 3.727 3.892 0.117 5 0 "[ . 1 . 2]" 1
1428 1 37 LEU H 1 37 LEU HB2 2.443 . 3.189 2.494 2.477 2.526 . 0 0 "[ . 1 . 2]" 1
1429 1 36 GLU H 1 37 LEU HG 2.834 . 3.838 3.381 3.288 3.423 . 0 0 "[ . 1 . 2]" 1
1430 1 37 LEU H 1 37 LEU HG 2.368 . 3.069 2.207 2.148 2.251 . 0 0 "[ . 1 . 2]" 1
1431 1 37 LEU H 1 37 LEU HB3 2.640 . 3.511 3.580 3.568 3.587 0.076 1 0 "[ . 1 . 2]" 1
1432 1 37 LEU H 1 37 LEU MD1 2.579 . 3.410 3.506 3.476 3.538 0.128 20 0 "[ . 1 . 2]" 1
1433 1 49 LEU H 1 50 ASP H 2.532 . 3.334 2.613 2.518 2.686 . 0 0 "[ . 1 . 2]" 1
1434 1 36 GLU H 1 37 LEU MD2 3.116 . 4.330 4.522 4.455 4.568 0.238 13 0 "[ . 1 . 2]" 1
1435 1 37 LEU H 1 37 LEU MD2 2.631 . 3.496 3.348 3.291 3.386 . 0 0 "[ . 1 . 2]" 1
1436 1 81 TYR H 1 82 VAL H 3.030 . 4.178 4.293 4.283 4.305 0.127 13 0 "[ . 1 . 2]" 1
1437 1 82 VAL H 1 82 VAL HA 2.680 . 3.578 2.868 2.861 2.876 . 0 0 "[ . 1 . 2]" 1
1438 1 75 LEU HA 1 82 VAL H 2.984 . 4.097 4.095 4.013 4.138 0.041 13 0 "[ . 1 . 2]" 1
1439 1 57 SER H 1 57 SER HA 2.457 . 3.212 2.801 2.765 2.832 . 0 0 "[ . 1 . 2]" 1
1440 1 97 LEU H 1 97 LEU HA 2.271 . 2.916 2.219 2.206 2.229 . 0 0 "[ . 1 . 2]" 1
1441 1 57 SER H 1 57 SER HB3 2.448 . 3.197 2.732 2.309 3.556 0.359 19 0 "[ . 1 . 2]" 1
1442 1 57 SER H 1 57 SER HB2 2.598 . 3.442 2.640 2.467 2.862 . 0 0 "[ . 1 . 2]" 1
1443 1 93 ASN HB3 1 97 LEU H 3.171 . 4.428 3.391 3.215 3.636 . 0 0 "[ . 1 . 2]" 1
1444 1 81 TYR QB 1 82 VAL H 2.556 . 3.373 2.246 2.183 2.287 . 0 0 "[ . 1 . 2]" 1
1445 1 50 ASP H 1 50 ASP HB3 2.571 . 3.397 3.326 2.664 3.823 0.426 3 0 "[ . 1 . 2]" 1
1446 1 97 LEU H 1 97 LEU HB2 2.724 . 3.651 3.356 3.294 3.387 . 0 0 "[ . 1 . 2]" 1
1447 1 95 ARG QB 1 97 LEU H 2.993 . 4.113 4.129 3.939 4.215 0.102 14 0 "[ . 1 . 2]" 1
1448 1 49 LEU HB2 1 50 ASP H 2.851 . 3.867 3.552 3.317 3.694 . 0 0 "[ . 1 . 2]" 1
1449 1 18 LYS H 1 18 LYS HB2 2.889 . 3.932 2.347 2.231 2.466 . 0 0 "[ . 1 . 2]" 1
1450 1 89 THR H 1 89 THR MG 2.714 . 3.635 3.820 3.757 3.866 0.231 6 0 "[ . 1 . 2]" 1
1451 1 51 SER H 1 52 GLU H 3.168 . 4.423 2.715 2.600 2.880 . 0 0 "[ . 1 . 2]" 1
1452 1 25 ARG H 1 26 ILE H 2.768 . 3.726 2.774 2.660 2.856 . 0 0 "[ . 1 . 2]" 1
1453 1 30 ILE H 1 32 TYR H 2.787 . 3.758 3.687 3.626 3.749 . 0 0 "[ . 1 . 2]" 1
1454 1 50 ASP H 1 51 SER H 2.171 . 2.760 1.738 1.632 1.944 . 0 0 "[ . 1 . 2]" 1
1455 1 36 GLU H 1 38 LEU H 2.824 . 3.821 3.733 3.671 3.783 . 0 0 "[ . 1 . 2]" 1
1456 1 31 GLY H 1 32 TYR H 2.401 . 3.122 2.319 2.282 2.411 . 0 0 "[ . 1 . 2]" 1
1457 1 95 ARG H 1 96 ASN H 2.750 . 3.695 2.543 2.463 2.669 . 0 0 "[ . 1 . 2]" 1
1458 1 32 TYR H 1 32 TYR QD 2.237 . 2.863 2.971 2.810 3.022 0.159 12 0 "[ . 1 . 2]" 1
1459 1 50 ASP HA 1 51 SER H 2.676 . 3.571 3.377 3.297 3.454 . 0 0 "[ . 1 . 2]" 1
1460 1 15 MET H 1 15 MET HA 2.939 . 4.019 2.813 2.749 2.852 . 0 0 "[ . 1 . 2]" 1
1461 1 14 SER HB2 1 15 MET H 2.972 . 4.076 3.288 2.211 3.919 . 0 0 "[ . 1 . 2]" 1
1462 1 29 LEU H 1 29 LEU HA 2.378 . 3.085 2.913 2.903 2.931 . 0 0 "[ . 1 . 2]" 1
1463 1 36 GLU HA 1 38 LEU H 3.015 . 4.152 4.253 4.217 4.287 0.135 8 0 "[ . 1 . 2]" 1
1464 1 32 TYR H 1 32 TYR HA 2.444 . 3.191 2.880 2.873 2.886 . 0 0 "[ . 1 . 2]" 1
1465 1 14 SER HB3 1 15 MET H 3.016 . 4.153 3.242 2.214 3.783 . 0 0 "[ . 1 . 2]" 1
1466 1 51 SER H 1 51 SER HA 2.436 . 3.178 2.795 2.756 2.827 . 0 0 "[ . 1 . 2]" 1
1467 1 28 GLU HA 1 29 LEU H 2.601 . 3.447 3.484 3.474 3.495 0.048 2 0 "[ . 1 . 2]" 1
1468 1 31 GLY HA3 1 32 TYR H 2.556 . 3.373 3.276 3.225 3.300 . 0 0 "[ . 1 . 2]" 1
1469 1 31 GLY HA2 1 32 TYR H 2.507 . 3.293 3.337 3.313 3.390 0.097 8 0 "[ . 1 . 2]" 1
1470 1 27 THR HA 1 32 TYR H 2.548 . 3.360 2.755 2.687 2.896 . 0 0 "[ . 1 . 2]" 1
1471 1 26 ILE HA 1 29 LEU H 2.785 . 3.754 3.437 3.406 3.474 . 0 0 "[ . 1 . 2]" 1
1472 1 15 MET H 1 15 MET HG2 2.943 . 4.026 2.353 1.991 3.851 . 0 0 "[ . 1 . 2]" 1
1473 1 50 ASP HB3 1 51 SER H 2.886 . 3.927 3.649 3.162 4.066 0.139 3 0 "[ . 1 . 2]" 1
1474 1 32 TYR H 1 32 TYR HB2 2.427 . 3.163 2.374 2.335 2.434 . 0 0 "[ . 1 . 2]" 1
1475 1 15 MET H 1 15 MET HG3 2.753 . 3.701 3.681 3.508 3.783 0.082 14 0 "[ . 1 . 2]" 1
1476 1 15 MET H 1 15 MET HB3 2.760 . 3.713 3.598 3.573 3.617 . 0 0 "[ . 1 . 2]" 1
1477 1 15 MET H 1 15 MET HB2 2.844 . 3.855 2.507 2.370 2.810 . 0 0 "[ . 1 . 2]" 1
1478 1 25 ARG HB2 1 26 ILE H 2.826 . 3.824 2.960 2.728 3.827 0.003 18 0 "[ . 1 . 2]" 1
1479 1 28 GLU HB3 1 29 LEU H 2.473 . 3.237 2.814 2.690 2.931 . 0 0 "[ . 1 . 2]" 1
1480 1 29 LEU H 1 29 LEU HG 2.267 . 2.909 1.955 1.913 2.035 . 0 0 "[ . 1 . 2]" 1
1481 1 30 ILE HB 1 32 TYR H 2.692 . 3.598 2.127 2.091 2.178 . 0 0 "[ . 1 . 2]" 1
1482 1 95 ARG H 1 95 ARG QB 2.405 . 3.128 2.345 2.177 2.504 . 0 0 "[ . 1 . 2]" 1
1483 1 29 LEU H 1 29 LEU HB2 2.390 . 3.104 2.549 2.521 2.569 . 0 0 "[ . 1 . 2]" 1
1484 1 38 LEU H 1 38 LEU HB2 2.350 . 3.040 2.505 2.487 2.531 . 0 0 "[ . 1 . 2]" 1
1485 1 26 ILE H 1 26 ILE HB 2.265 . 2.906 2.546 2.521 2.583 . 0 0 "[ . 1 . 2]" 1
1486 1 29 LEU H 1 29 LEU MD1 2.308 . 2.974 3.069 3.042 3.112 0.138 18 0 "[ . 1 . 2]" 1
1487 1 37 LEU HB2 1 38 LEU H 2.280 . 2.930 2.792 2.759 2.841 . 0 0 "[ . 1 . 2]" 1
1488 1 26 ILE H 1 26 ILE MG 2.128 . 2.694 1.906 1.857 1.969 . 0 0 "[ . 1 . 2]" 1
1489 1 26 ILE HG13 1 32 TYR H 2.998 . 4.122 2.895 2.865 2.957 . 0 0 "[ . 1 . 2]" 1
1490 1 37 LEU HB3 1 38 LEU H 2.924 . 3.993 3.958 3.931 3.998 0.005 9 0 "[ . 1 . 2]" 1
1491 1 32 TYR H 1 77 LYS HB2 2.907 . 3.963 3.298 3.188 3.403 . 0 0 "[ . 1 . 2]" 1
1492 1 49 LEU H 1 51 SER H 2.929 . 4.001 3.922 3.805 4.046 0.045 13 0 "[ . 1 . 2]" 1
1493 1 15 MET H 1 16 ASP H 3.039 . 4.193 2.719 2.622 2.855 . 0 0 "[ . 1 . 2]" 1
1494 1 16 ASP H 1 17 MET H 2.715 . 3.636 2.486 2.045 2.722 . 0 0 "[ . 1 . 2]" 1
1495 1 9 PHE H 1 106 ASN H 2.842 . 3.852 3.367 3.225 3.464 . 0 0 "[ . 1 . 2]" 1
1496 1 14 SER H 1 18 LYS H 2.879 . 3.915 2.662 2.287 2.939 . 0 0 "[ . 1 . 2]" 1
1497 1 8 THR H 1 9 PHE H 3.214 . 4.505 4.289 4.238 4.336 . 0 0 "[ . 1 . 2]" 1
1498 1 9 PHE H 1 9 PHE QD 2.789 . 3.761 2.577 2.477 2.742 . 0 0 "[ . 1 . 2]" 1
1499 1 13 PHE QD 1 14 SER H 2.970 . 4.072 3.429 3.248 3.652 . 0 0 "[ . 1 . 2]" 1
1500 1 13 PHE HA 1 14 SER H 2.511 . 3.299 2.234 2.142 2.354 . 0 0 "[ . 1 . 2]" 1
1501 1 8 THR HA 1 9 PHE H 2.262 . 2.902 2.240 2.218 2.272 . 0 0 "[ . 1 . 2]" 1
1502 1 9 PHE H 1 9 PHE HA 2.713 . 3.633 2.904 2.890 2.917 . 0 0 "[ . 1 . 2]" 1
1503 1 14 SER H 1 14 SER HB2 3.040 . 4.195 2.869 2.410 3.597 . 0 0 "[ . 1 . 2]" 1
1504 1 14 SER HB2 1 16 ASP H 3.176 . 4.437 3.561 2.742 4.526 0.089 6 0 "[ . 1 . 2]" 1
1505 1 80 GLY HA3 1 81 TYR H 2.161 . 2.745 2.097 2.087 2.109 . 0 0 "[ . 1 . 2]" 1
1506 1 35 GLU H 1 35 GLU HA 2.402 . 3.123 2.807 2.731 2.837 . 0 0 "[ . 1 . 2]" 1
1507 1 14 SER H 1 17 MET HA 3.173 . 4.432 4.074 3.748 4.433 0.001 1 0 "[ . 1 . 2]" 1
1508 1 14 SER HB3 1 16 ASP H 3.280 . 4.625 3.208 2.425 4.225 . 0 0 "[ . 1 . 2]" 1
1509 1 16 ASP H 1 17 MET HA 3.296 . 4.654 4.597 4.085 4.768 0.114 6 0 "[ . 1 . 2]" 1
1510 1 34 PRO HA 1 35 GLU H 2.831 . 3.833 3.547 3.511 3.583 . 0 0 "[ . 1 . 2]" 1
1511 1 34 PRO HD3 1 35 GLU H 3.071 . 4.250 4.095 3.921 4.145 . 0 0 "[ . 1 . 2]" 1
1512 1 13 PHE HB3 1 14 SER H 2.950 . 4.037 2.804 2.616 3.075 . 0 0 "[ . 1 . 2]" 1
1513 1 13 PHE HB2 1 14 SER H 3.064 . 4.237 3.973 3.775 4.168 . 0 0 "[ . 1 . 2]" 1
1514 1 81 TYR H 1 81 TYR QB 2.535 . 3.338 2.764 2.747 2.788 . 0 0 "[ . 1 . 2]" 1
1515 1 35 GLU H 1 35 GLU QB 2.068 . 2.602 2.401 2.313 2.465 . 0 0 "[ . 1 . 2]" 1
1516 1 34 PRO HB2 1 35 GLU H 2.511 . 3.299 2.304 2.263 2.378 . 0 0 "[ . 1 . 2]" 1
1517 1 9 PHE H 1 106 ASN HB3 3.000 . 4.125 4.259 4.216 4.284 0.159 17 0 "[ . 1 . 2]" 1
1518 1 9 PHE H 1 106 ASN HB2 2.807 . 3.792 3.076 2.994 3.280 . 0 0 "[ . 1 . 2]" 1
1519 1 84 LEU HB3 1 85 GLU H 2.766 . 3.723 3.468 3.388 3.533 . 0 0 "[ . 1 . 2]" 1
1520 1 8 THR MG 1 9 PHE H 2.417 . 3.147 2.343 2.316 2.381 . 0 0 "[ . 1 . 2]" 1
1521 1 9 PHE H 1 105 VAL QG 2.999 . 4.123 4.115 4.078 4.145 0.022 6 0 "[ . 1 . 2]" 1
1522 1 109 LEU H 1 110 SER H 2.467 . 3.228 2.264 2.162 2.311 . 0 0 "[ . 1 . 2]" 1
1523 1 83 TRP H 1 110 SER H 3.069 . 4.246 3.372 3.319 3.424 . 0 0 "[ . 1 . 2]" 1
1524 1 110 SER H 1 111 GLU H 2.991 . 4.110 4.260 4.228 4.304 0.194 2 0 "[ . 1 . 2]" 1
1525 1 17 MET H 1 18 LYS H 2.732 . 3.665 2.617 2.502 2.729 . 0 0 "[ . 1 . 2]" 1
1526 1 35 GLU H 1 37 LEU H 3.107 . 4.314 4.119 4.062 4.202 . 0 0 "[ . 1 . 2]" 1
1527 1 13 PHE QD 1 17 MET H 3.226 . 4.527 4.650 4.575 4.741 0.214 12 0 "[ . 1 . 2]" 1
1528 1 45 PHE H 1 45 PHE HA 2.827 . 3.826 2.934 2.912 2.949 . 0 0 "[ . 1 . 2]" 1
1529 1 108 VAL HA 1 110 SER H 2.668 . 3.558 3.569 3.535 3.608 0.050 3 0 "[ . 1 . 2]" 1
1530 1 17 MET H 1 17 MET HA 2.346 . 3.034 2.247 2.226 2.268 . 0 0 "[ . 1 . 2]" 1
1531 1 110 SER H 1 110 SER QB 2.771 . 3.731 2.921 2.812 2.993 . 0 0 "[ . 1 . 2]" 1
1532 1 45 PHE H 1 45 PHE HB2 3.042 . 4.199 2.675 2.620 2.766 . 0 0 "[ . 1 . 2]" 1
1533 1 13 PHE HB3 1 17 MET H 2.826 . 3.824 3.288 2.994 3.565 . 0 0 "[ . 1 . 2]" 1
1534 1 45 PHE H 1 45 PHE HB3 2.821 . 3.816 3.714 3.663 3.789 . 0 0 "[ . 1 . 2]" 1
1535 1 17 MET H 1 17 MET QB 2.763 . 3.717 3.126 2.887 3.415 . 0 0 "[ . 1 . 2]" 1
1536 1 109 LEU QB 1 110 SER H 2.494 . 3.272 2.777 2.661 2.893 . 0 0 "[ . 1 . 2]" 1
1537 1 108 VAL MG2 1 110 SER H 2.175 . 2.766 2.284 2.127 2.369 . 0 0 "[ . 1 . 2]" 1
1538 1 7 LYS H 1 8 THR H 2.680 . 3.578 3.535 3.139 3.744 0.166 6 0 "[ . 1 . 2]" 1
1539 1 19 PHE HD2 1 20 THR H 3.007 . 4.137 3.728 3.536 3.902 . 0 0 "[ . 1 . 2]" 1
1540 1 11 SER H 1 106 ASN HD22 2.911 . 3.970 3.922 3.494 4.343 0.373 6 0 "[ . 1 . 2]" 1
1541 1 13 PHE QD 1 20 THR H 3.129 . 4.353 4.175 3.820 4.383 0.030 3 0 "[ . 1 . 2]" 1
1542 1 11 SER H 1 106 ASN HD21 3.100 . 4.302 3.595 3.268 3.773 . 0 0 "[ . 1 . 2]" 1
1543 1 8 THR H 1 8 THR HA 2.584 . 3.419 2.902 2.882 2.923 . 0 0 "[ . 1 . 2]" 1
1544 1 10 LEU HA 1 11 SER H 2.340 . 3.025 2.260 2.192 2.282 . 0 0 "[ . 1 . 2]" 1
1545 1 20 THR H 1 20 THR HA 2.869 . 3.898 2.943 2.940 2.948 . 0 0 "[ . 1 . 2]" 1
1546 1 7 LYS HA 1 8 THR H 2.254 . 2.889 2.297 2.217 2.372 . 0 0 "[ . 1 . 2]" 1
1547 1 8 THR H 1 8 THR HB 2.443 . 3.189 2.908 2.819 2.982 . 0 0 "[ . 1 . 2]" 1
1548 1 93 ASN HB3 1 93 ASN HD21 2.958 . 4.052 3.109 2.213 3.477 . 0 0 "[ . 1 . 2]" 1
1549 1 93 ASN HB2 1 93 ASN HD21 2.854 . 3.872 2.365 2.194 2.953 . 0 0 "[ . 1 . 2]" 1
1550 1 7 LYS HB3 1 8 THR H 2.851 . 3.867 4.072 3.973 4.132 0.265 20 0 "[ . 1 . 2]" 1
1551 1 10 LEU HB3 1 11 SER H 2.604 . 3.452 2.906 2.739 3.281 . 0 0 "[ . 1 . 2]" 1
1552 1 53 ASN H 1 53 ASN HD21 3.035 . 4.186 4.378 4.152 4.480 0.294 20 0 "[ . 1 . 2]" 1
1553 1 96 ASN H 1 97 LEU H 2.412 . 3.139 1.772 1.707 1.860 . 0 0 "[ . 1 . 2]" 1
1554 1 95 ARG HA 1 96 ASN H 2.914 . 3.975 3.554 3.527 3.585 . 0 0 "[ . 1 . 2]" 1
1555 1 96 ASN H 1 97 LEU HA 2.801 . 3.781 3.890 3.842 3.965 0.184 11 0 "[ . 1 . 2]" 1
1556 1 96 ASN H 1 96 ASN HB2 2.886 . 3.927 3.734 3.050 3.819 . 0 0 "[ . 1 . 2]" 1
1557 1 53 ASN HB2 1 53 ASN HD21 2.356 . 3.050 2.666 2.120 3.374 0.324 5 0 "[ . 1 . 2]" 1
1558 1 96 ASN H 1 96 ASN HB3 2.992 . 4.111 3.202 2.708 3.292 . 0 0 "[ . 1 . 2]" 1
1559 1 98 GLN HB2 1 98 GLN HE21 2.946 . 4.031 3.165 2.090 3.992 . 0 0 "[ . 1 . 2]" 1
1560 1 95 ARG QB 1 96 ASN H 2.530 . 3.330 2.578 2.299 2.734 . 0 0 "[ . 1 . 2]" 1
1561 1 96 ASN H 1 97 LEU MD1 3.091 . 4.285 4.214 4.103 4.291 0.006 16 0 "[ . 1 . 2]" 1
1562 1 100 GLN H 1 101 CYS H 2.586 . 3.422 2.196 1.924 2.477 . 0 0 "[ . 1 . 2]" 1
1563 1 91 ILE H 1 101 CYS H 3.010 . 4.143 3.626 3.456 3.954 . 0 0 "[ . 1 . 2]" 1
1564 1 100 GLN HA 1 101 CYS H 2.923 . 3.991 3.524 3.471 3.546 . 0 0 "[ . 1 . 2]" 1
1565 1 99 PRO HA 1 101 CYS H 2.963 . 4.060 3.922 3.677 4.120 0.060 17 0 "[ . 1 . 2]" 1
1566 1 91 ILE HB 1 101 CYS H 2.959 . 4.053 3.064 2.784 3.581 . 0 0 "[ . 1 . 2]" 1
1567 1 66 GLN HE21 1 66 GLN HG2 2.650 . 3.528 2.541 2.196 3.494 . 0 0 "[ . 1 . 2]" 1
1568 1 66 GLN HE21 1 66 GLN HG3 2.686 . 3.588 2.785 2.184 2.945 . 0 0 "[ . 1 . 2]" 1
1569 1 100 GLN HE22 1 100 GLN QG 2.730 . 3.662 3.246 3.198 3.462 . 0 0 "[ . 1 . 2]" 1
1570 1 100 GLN QB 1 101 CYS H 2.612 . 3.465 2.760 2.026 3.463 . 0 0 "[ . 1 . 2]" 1
1571 1 90 VAL MG1 1 101 CYS H 3.106 . 4.312 4.335 4.020 4.399 0.087 1 0 "[ . 1 . 2]" 1
1572 1 30 ILE H 1 30 ILE HA 2.553 . 3.368 2.973 2.965 2.982 . 0 0 "[ . 1 . 2]" 1
1573 1 30 ILE H 1 31 GLY HA2 2.878 . 3.914 3.972 3.960 3.987 0.073 12 0 "[ . 1 . 2]" 1
1574 1 27 THR HA 1 30 ILE H 3.063 . 4.236 3.639 3.557 3.706 . 0 0 "[ . 1 . 2]" 1
1575 1 26 ILE HA 1 30 ILE H 2.903 . 3.957 3.555 3.472 3.642 . 0 0 "[ . 1 . 2]" 1
1576 1 30 ILE H 1 30 ILE HB 2.643 . 3.516 2.962 2.927 2.989 . 0 0 "[ . 1 . 2]" 1
1577 1 29 LEU HG 1 30 ILE H 2.840 . 3.848 3.910 3.895 3.923 0.075 7 0 "[ . 1 . 2]" 1
1578 1 29 LEU HB2 1 30 ILE H 2.610 . 3.462 2.736 2.719 2.755 . 0 0 "[ . 1 . 2]" 1
1579 1 30 ILE H 1 30 ILE HG13 2.601 . 3.446 2.540 2.515 2.570 . 0 0 "[ . 1 . 2]" 1
1580 1 55 THR MG 1 59 GLN HE22 2.710 . 3.628 3.479 3.045 3.660 0.032 11 0 "[ . 1 . 2]" 1
1581 1 39 GLY H 1 39 GLY HA2 2.355 . 3.048 2.480 2.457 2.491 . 0 0 "[ . 1 . 2]" 1
1582 1 38 LEU HA 1 39 GLY H 2.255 . 2.891 2.109 2.083 2.137 . 0 0 "[ . 1 . 2]" 1
1583 1 19 PHE HB2 1 39 GLY H 2.826 . 3.824 2.737 2.548 3.001 . 0 0 "[ . 1 . 2]" 1
1584 1 19 PHE HB3 1 39 GLY H 2.885 . 3.925 3.297 3.224 3.378 . 0 0 "[ . 1 . 2]" 1
1585 1 71 GLN HE22 1 71 GLN HG3 2.878 . 3.914 3.652 3.428 4.027 0.113 9 0 "[ . 1 . 2]" 1
1586 1 71 GLN HE22 1 109 LEU QD 3.004 . 4.132 3.026 2.119 3.726 . 0 0 "[ . 1 . 2]" 1
1587 1 30 ILE H 1 31 GLY H 2.184 . 2.780 1.790 1.765 1.815 . 0 0 "[ . 1 . 2]" 1
1588 1 65 GLY H 1 66 GLN H 2.866 . 3.893 2.373 2.231 2.592 . 0 0 "[ . 1 . 2]" 1
1589 1 65 GLY H 1 65 GLY HA2 2.480 . 3.249 2.347 2.326 2.375 . 0 0 "[ . 1 . 2]" 1
1590 1 30 ILE HA 1 31 GLY H 2.678 . 3.574 3.483 3.467 3.491 . 0 0 "[ . 1 . 2]" 1
1591 1 65 GLY H 1 65 GLY HA3 2.504 . 3.288 2.902 2.879 2.931 . 0 0 "[ . 1 . 2]" 1
1592 1 27 THR HA 1 31 GLY H 2.592 . 3.432 2.319 2.254 2.381 . 0 0 "[ . 1 . 2]" 1
1593 1 31 GLY H 1 31 GLY HA3 2.344 . 3.031 2.931 2.927 2.935 . 0 0 "[ . 1 . 2]" 1
1594 1 31 GLY H 1 31 GLY HA2 2.256 . 2.892 2.397 2.387 2.406 . 0 0 "[ . 1 . 2]" 1
1595 1 64 LYS HB2 1 65 GLY H 2.961 . 4.057 3.673 2.940 3.906 . 0 0 "[ . 1 . 2]" 1
1596 1 30 ILE HB 1 31 GLY H 2.857 . 3.877 2.651 2.614 2.682 . 0 0 "[ . 1 . 2]" 1
1597 1 29 LEU HB2 1 31 GLY H 3.081 . 4.268 4.467 4.448 4.498 0.230 7 0 "[ . 1 . 2]" 1
1598 1 30 ILE HG13 1 31 GLY H 3.013 . 4.148 3.468 3.429 3.523 . 0 0 "[ . 1 . 2]" 1
1599 1 79 GLY H 1 79 GLY HA3 2.445 . 3.192 2.895 2.863 2.921 . 0 0 "[ . 1 . 2]" 1
1600 1 79 GLY H 1 79 GLY HA2 2.388 . 3.101 2.326 2.298 2.354 . 0 0 "[ . 1 . 2]" 1
1601 1 43 SER H 1 43 SER HB3 2.930 . 4.003 3.272 2.562 3.566 . 0 0 "[ . 1 . 2]" 1
1602 1 76 ALA MB 1 79 GLY H 2.835 . 3.840 3.513 3.381 3.692 . 0 0 "[ . 1 . 2]" 1
1603 1 75 LEU MD1 1 79 GLY H 3.173 . 4.431 3.397 3.268 3.475 . 0 0 "[ . 1 . 2]" 1
1604 1 83 TRP HE1 1 110 SER QB 3.071 . 4.250 4.058 3.930 4.143 . 0 0 "[ . 1 . 2]" 1
1605 1 83 TRP HE1 1 113 GLU HG2 3.114 . 4.326 3.858 3.378 4.842 0.516 10 1 "[ . + . 2]" 1
1606 1 80 GLY H 1 80 GLY HA2 2.189 . 2.788 2.895 2.882 2.909 0.121 9 0 "[ . 1 . 2]" 1
1607 1 80 GLY H 1 80 GLY HA3 2.220 . 2.836 2.341 2.318 2.371 . 0 0 "[ . 1 . 2]" 1
1608 1 79 GLY H 1 80 GLY H 2.682 . 3.581 2.440 2.348 2.532 . 0 0 "[ . 1 . 2]" 1
1609 1 80 GLY H 1 81 TYR H 2.678 . 3.574 3.808 3.768 3.859 0.285 4 0 "[ . 1 . 2]" 1
1610 1 67 VAL HA 1 68 VAL H 2.159 . 2.741 2.200 2.121 2.319 . 0 0 "[ . 1 . 2]" 1
1611 1 68 VAL QG 1 69 SER H 2.688 . 3.591 2.769 2.221 3.185 . 0 0 "[ . 1 . 2]" 1
1612 1 68 VAL HA 1 69 SER H 2.723 . 3.650 2.164 2.104 2.289 . 0 0 "[ . 1 . 2]" 1
1613 1 84 LEU HB2 1 85 GLU H 2.980 . 4.090 2.617 2.461 2.738 . 0 0 "[ . 1 . 2]" 1
1614 1 85 GLU H 1 107 TYR H 3.107 . 4.314 2.727 2.497 2.951 . 0 0 "[ . 1 . 2]" 1
1615 1 22 CYS H 1 23 ASP H 3.081 . 4.267 4.236 4.161 4.258 . 0 0 "[ . 1 . 2]" 1
1616 1 21 TYR QD 1 22 CYS H 2.481 . 3.251 3.139 3.071 3.205 . 0 0 "[ . 1 . 2]" 1
1617 1 22 CYS H 1 34 PRO HB3 2.806 . 3.790 2.889 2.750 2.984 . 0 0 "[ . 1 . 2]" 1
1618 1 22 CYS H 1 34 PRO HB2 2.921 . 3.987 3.981 3.610 4.039 0.052 12 0 "[ . 1 . 2]" 1
1619 1 42 ALA HA 1 44 GLU H 3.013 . 4.147 3.604 3.450 3.763 . 0 0 "[ . 1 . 2]" 1
1620 1 41 SER QB 1 44 GLU H 2.622 . 3.482 3.167 2.853 3.432 . 0 0 "[ . 1 . 2]" 1
1621 1 44 GLU H 1 44 GLU HA 2.262 . 2.902 2.812 2.776 2.843 . 0 0 "[ . 1 . 2]" 1
1622 1 42 ALA MB 1 44 GLU H 2.976 . 4.083 4.177 4.148 4.220 0.137 16 0 "[ . 1 . 2]" 1
1623 1 31 GLY HA3 1 77 LYS H 3.020 . 4.160 3.477 3.391 3.644 . 0 0 "[ . 1 . 2]" 1
1624 1 77 LYS H 1 77 LYS HB3 2.527 . 3.325 2.653 2.607 2.691 . 0 0 "[ . 1 . 2]" 1
1625 1 46 TRP H 1 46 TRP HB2 2.527 . 3.325 2.317 2.226 2.410 . 0 0 "[ . 1 . 2]" 1
1626 1 45 PHE HA 1 46 TRP H 2.773 . 3.734 3.292 3.066 3.385 . 0 0 "[ . 1 . 2]" 1
1627 1 46 TRP H 1 46 TRP HB3 2.492 . 3.268 3.528 3.500 3.556 0.288 3 0 "[ . 1 . 2]" 1
1628 1 106 ASN HB2 1 106 ASN HD22 3.016 . 4.153 3.467 3.442 3.748 . 0 0 "[ . 1 . 2]" 1
1629 1 66 GLN H 1 67 VAL H 3.173 . 4.432 4.314 4.255 4.364 . 0 0 "[ . 1 . 2]" 1
1630 1 65 GLY HA2 1 66 GLN H 2.837 . 3.843 3.213 3.037 3.356 . 0 0 "[ . 1 . 2]" 1
1631 1 65 GLY HA3 1 66 GLN H 2.809 . 3.795 3.194 3.097 3.287 . 0 0 "[ . 1 . 2]" 1
1632 1 34 PRO HA 1 37 LEU H 2.978 . 4.087 3.924 3.810 4.059 . 0 0 "[ . 1 . 2]" 1
1633 1 36 GLU HB2 1 37 LEU H 2.784 . 3.753 2.960 2.857 2.995 . 0 0 "[ . 1 . 2]" 1
1634 1 17 MET HA 1 18 LYS H 2.894 . 3.941 2.812 2.649 2.924 . 0 0 "[ . 1 . 2]" 1
1635 1 29 LEU H 1 30 ILE H 2.369 . 3.070 2.232 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
1636 1 29 LEU H 1 31 GLY H 2.770 . 3.729 3.400 3.289 3.485 . 0 0 "[ . 1 . 2]" 1
1637 1 37 LEU H 1 38 LEU H 2.220 . 2.836 2.027 2.013 2.059 . 0 0 "[ . 1 . 2]" 1
1638 1 35 GLU HA 1 38 LEU H 2.531 . 3.332 2.874 2.751 3.087 . 0 0 "[ . 1 . 2]" 1
1639 1 37 LEU HA 1 38 LEU H 2.640 . 3.511 3.446 3.430 3.459 . 0 0 "[ . 1 . 2]" 1
1640 1 38 LEU H 1 38 LEU HA 2.506 . 3.291 2.817 2.805 2.828 . 0 0 "[ . 1 . 2]" 1
1641 1 38 LEU H 1 38 LEU HG 2.039 . 2.559 2.280 2.224 2.329 . 0 0 "[ . 1 . 2]" 1
1642 1 93 ASN HB3 1 93 ASN HD22 3.026 . 4.171 3.881 3.474 4.054 . 0 0 "[ . 1 . 2]" 1
1643 1 93 ASN HB2 1 93 ASN HD22 2.979 . 4.089 3.536 3.462 3.790 . 0 0 "[ . 1 . 2]" 1
1644 1 98 GLN HE22 1 98 GLN QG 2.474 . 3.239 3.320 3.202 3.453 0.214 12 0 "[ . 1 . 2]" 1
1645 1 98 GLN HB2 1 98 GLN HE22 3.069 . 4.246 4.069 3.675 4.401 0.155 8 0 "[ . 1 . 2]" 1
1646 1 100 GLN HE21 1 100 GLN QG 2.571 . 3.397 2.233 2.148 2.790 . 0 0 "[ . 1 . 2]" 1
1647 1 59 GLN HE21 1 59 GLN HG2 2.544 . 3.353 2.530 2.153 3.426 0.073 14 0 "[ . 1 . 2]" 1
1648 1 59 GLN HE21 1 59 GLN HG3 2.568 . 3.392 2.664 2.198 3.391 . 0 0 "[ . 1 . 2]" 1
1649 1 55 THR MG 1 59 GLN HE21 2.595 . 3.436 2.582 1.732 3.571 0.135 11 0 "[ . 1 . 2]" 1
1650 1 59 GLN HE22 1 59 GLN HG2 2.792 . 3.767 3.607 3.439 4.028 0.261 14 0 "[ . 1 . 2]" 1
1651 1 71 GLN HE21 1 71 GLN HG2 2.664 . 3.551 2.747 2.199 3.482 . 0 0 "[ . 1 . 2]" 1
1652 1 71 GLN HE21 1 71 GLN HG3 2.690 . 3.594 2.654 2.151 3.452 . 0 0 "[ . 1 . 2]" 1
1653 1 96 ASN HB2 1 96 ASN HD21 2.671 . 3.563 2.697 2.291 2.823 . 0 0 "[ . 1 . 2]" 1
1654 1 96 ASN HD21 1 98 GLN QG 2.958 . 4.052 3.652 2.471 3.995 . 0 0 "[ . 1 . 2]" 1
1655 1 96 ASN HD21 1 98 GLN HB2 3.160 . 4.408 3.832 2.842 4.228 . 0 0 "[ . 1 . 2]" 1
1656 1 96 ASN HB2 1 96 ASN HD22 2.672 . 3.564 3.664 3.499 3.717 0.153 1 0 "[ . 1 . 2]" 1
1657 1 96 ASN HB3 1 96 ASN HD22 2.712 . 3.632 3.540 3.457 3.714 0.082 9 0 "[ . 1 . 2]" 1
1658 1 96 ASN HD22 1 98 GLN HB2 2.975 . 4.081 2.879 2.167 4.490 0.409 12 0 "[ . 1 . 2]" 1
1659 1 96 ASN HB3 1 96 ASN HD21 2.619 . 3.476 2.387 2.229 2.803 . 0 0 "[ . 1 . 2]" 1
1660 1 96 ASN HD22 1 98 GLN QG 2.874 . 3.906 3.642 2.767 3.962 0.056 3 0 "[ . 1 . 2]" 1
1661 1 96 ASN HD22 1 98 GLN HB3 3.087 . 4.278 4.243 3.584 5.124 0.846 12 1 "[ . 1 + . 2]" 1
1662 1 56 LYS QB 1 57 SER H 2.348 . 3.037 2.831 2.751 2.909 . 0 0 "[ . 1 . 2]" 1
1663 1 37 LEU H 1 38 LEU HG 2.587 . 3.424 3.492 3.441 3.541 0.117 20 0 "[ . 1 . 2]" 1
1664 1 64 LYS HB2 1 66 GLN H 2.819 . 3.813 2.549 2.176 2.854 . 0 0 "[ . 1 . 2]" 1
1665 1 81 TYR H 1 81 TYR HA 2.520 . 3.314 2.869 2.856 2.875 . 0 0 "[ . 1 . 2]" 1
1666 1 22 CYS H 1 38 LEU MD1 2.968 . 4.069 3.130 2.941 3.312 . 0 0 "[ . 1 . 2]" 1
1667 1 5 ASP QB 1 6 SER H 3.087 . 4.278 3.023 2.187 3.854 . 0 0 "[ . 1 . 2]" 1
1668 1 17 MET H 1 102 ILE MD 2.783 . 3.751 3.383 2.976 3.787 0.036 16 0 "[ . 1 . 2]" 1
1669 1 71 GLN HA 1 72 TYR H 2.727 . 3.657 2.166 2.090 2.266 . 0 0 "[ . 1 . 2]" 1
1670 1 53 ASN H 1 53 ASN HA 2.277 . 2.925 2.780 2.762 2.799 . 0 0 "[ . 1 . 2]" 1
1671 1 63 THR H 1 63 THR MG 2.897 . 3.946 3.750 3.727 3.784 . 0 0 "[ . 1 . 2]" 1
1672 1 27 THR H 1 27 THR HB 2.217 . 2.832 2.760 2.721 2.797 . 0 0 "[ . 1 . 2]" 1
1673 1 98 GLN HE21 1 98 GLN QG 2.358 . 3.053 2.390 2.151 2.766 . 0 0 "[ . 1 . 2]" 1
1674 1 36 GLU H 1 37 LEU H 2.252 . 2.886 2.324 2.292 2.349 . 0 0 "[ . 1 . 2]" 1
1675 1 81 TYR H 1 113 GLU H 2.395 . 3.112 2.472 2.275 2.694 . 0 0 "[ . 1 . 2]" 1
1676 1 70 GLY HA3 1 71 GLN H 2.383 . 3.093 2.731 2.450 3.054 . 0 0 "[ . 1 . 2]" 1
1677 1 70 GLY HA2 1 71 GLN H 2.351 . 3.042 2.425 2.195 2.633 . 0 0 "[ . 1 . 2]" 1
1678 1 103 MET H 1 103 MET QG 2.645 . 3.520 3.473 3.300 3.546 0.026 13 0 "[ . 1 . 2]" 1
1679 1 47 HIS H 1 47 HIS HB2 2.808 . 3.793 2.426 2.262 2.557 . 0 0 "[ . 1 . 2]" 1
1680 1 47 HIS H 1 73 ARG HB3 3.276 . 4.618 3.159 2.821 3.445 . 0 0 "[ . 1 . 2]" 1
1681 1 36 GLU H 1 36 GLU HA 1.976 . 2.464 2.563 2.548 2.570 0.106 4 0 "[ . 1 . 2]" 1
1682 1 47 HIS HE1 1 49 LEU HA 2.904 . 3.958 4.006 3.863 4.092 0.134 19 0 "[ . 1 . 2]" 1
1683 1 76 ALA HA 1 81 TYR HA 2.827 . 3.826 3.942 3.920 3.986 0.160 17 0 "[ . 1 . 2]" 1
1684 1 11 SER HB2 1 13 PHE QE 3.145 . 4.381 3.415 3.261 3.602 . 0 0 "[ . 1 . 2]" 1
1685 1 13 PHE QD 1 18 LYS HB2 2.714 . 3.635 3.132 2.708 3.526 . 0 0 "[ . 1 . 2]" 1
1686 1 95 ARG HA 1 95 ARG QB 1.891 . 2.338 2.161 2.075 2.218 . 0 0 "[ . 1 . 2]" 1
1687 1 95 ARG HA 1 95 ARG QG 2.145 . 2.720 2.549 2.264 2.975 0.255 15 0 "[ . 1 . 2]" 1
1688 1 2 GLU HA 1 2 GLU HB3 2.326 . 3.002 2.396 2.309 2.681 . 0 0 "[ . 1 . 2]" 1
1689 1 89 THR MG 1 103 MET QG 2.556 . 3.373 2.957 2.645 3.233 . 0 0 "[ . 1 . 2]" 1
1690 1 13 PHE QD 1 42 ALA MB 2.431 . 3.170 2.806 2.553 2.944 . 0 0 "[ . 1 . 2]" 1
1691 1 99 PRO HB2 1 100 GLN H 2.734 . 3.668 2.667 2.335 3.068 . 0 0 "[ . 1 . 2]" 1
1692 1 89 THR H 1 90 VAL HB 3.015 . 4.151 3.785 3.519 3.944 . 0 0 "[ . 1 . 2]" 1
1693 1 92 TYR H 1 99 PRO HB3 3.047 . 4.207 4.028 3.650 4.209 0.002 17 0 "[ . 1 . 2]" 1
1694 1 29 LEU HA 1 30 ILE H 2.929 . 4.001 3.328 3.287 3.354 . 0 0 "[ . 1 . 2]" 1
1695 1 56 LYS H 1 56 LYS QB 2.268 . 2.911 2.134 1.915 2.594 . 0 0 "[ . 1 . 2]" 1
1696 1 32 TYR QE 1 77 LYS HB2 3.212 . 4.502 3.728 3.588 3.783 . 0 0 "[ . 1 . 2]" 1
1697 1 93 ASN HA 1 97 LEU HA 2.966 . 4.065 3.922 3.895 3.958 . 0 0 "[ . 1 . 2]" 1
1698 1 50 ASP HB2 1 54 MET HG2 3.182 . 4.447 3.765 2.940 4.257 . 0 0 "[ . 1 . 2]" 1
1699 1 50 ASP HB2 1 54 MET HG3 3.244 . 4.559 3.903 3.220 5.169 0.610 15 1 "[ . 1 + 2]" 1
1700 1 9 PHE HA 1 25 ARG HB3 2.754 . 3.702 3.038 2.820 3.236 . 0 0 "[ . 1 . 2]" 1
1701 1 2 GLU HA 1 2 GLU QG 2.425 . 3.160 2.743 2.399 3.316 0.156 18 0 "[ . 1 . 2]" 1
1702 1 19 PHE HZ 1 30 ILE MD 2.807 . 3.792 3.291 3.003 3.500 . 0 0 "[ . 1 . 2]" 1
1703 1 8 THR MG 1 9 PHE HA 2.645 . 3.519 3.241 3.163 3.281 . 0 0 "[ . 1 . 2]" 1
1704 1 34 PRO HB3 1 37 LEU HB2 2.951 . 4.040 3.697 3.607 3.872 . 0 0 "[ . 1 . 2]" 1
1705 1 26 ILE MG 1 34 PRO HB3 2.909 . 3.967 3.171 3.021 3.214 . 0 0 "[ . 1 . 2]" 1
1706 1 9 PHE QE 1 108 VAL HB 3.199 . 4.478 3.924 3.790 4.084 . 0 0 "[ . 1 . 2]" 1
1707 1 13 PHE HA 1 18 LYS HB2 3.076 . 4.259 4.089 4.015 4.167 . 0 0 "[ . 1 . 2]" 1
1708 1 53 ASN HA 1 56 LYS QD 2.214 . 2.827 2.460 1.964 2.898 0.071 4 0 "[ . 1 . 2]" 1
1709 1 75 LEU HA 1 75 LEU HB2 2.754 . 3.702 2.729 2.718 2.742 . 0 0 "[ . 1 . 2]" 1
1710 1 9 PHE HZ 1 30 ILE MD 2.432 . 3.171 2.155 2.069 2.220 . 0 0 "[ . 1 . 2]" 1
1711 1 13 PHE HA 1 102 ILE MD 3.001 . 4.127 4.161 3.968 4.253 0.126 6 0 "[ . 1 . 2]" 1
1712 1 54 MET HA 1 54 MET HB3 2.621 . 3.480 2.502 2.355 2.598 . 0 0 "[ . 1 . 2]" 1
1713 1 33 HIS H 1 33 HIS HB3 2.639 . 3.510 2.675 2.625 2.762 . 0 0 "[ . 1 . 2]" 1
1714 1 12 ARG HA 1 13 PHE H 2.450 . 3.201 2.107 2.081 2.155 . 0 0 "[ . 1 . 2]" 1
1715 1 25 ARG H 1 25 ARG HB2 2.924 . 3.992 2.208 2.021 2.312 . 0 0 "[ . 1 . 2]" 1
1716 1 58 HIS H 1 58 HIS HB3 3.109 . 4.317 2.370 2.211 2.598 . 0 0 "[ . 1 . 2]" 1
1717 1 13 PHE HZ 1 42 ALA HA 2.773 . 3.734 3.483 3.283 3.724 . 0 0 "[ . 1 . 2]" 1
1718 1 37 LEU HA 1 38 LEU H 2.809 . 3.795 3.223 3.144 3.287 . 0 0 "[ . 1 . 2]" 1
1719 1 9 PHE HA 1 25 ARG HB2 2.874 . 3.906 2.260 2.202 2.383 . 0 0 "[ . 1 . 2]" 1
1720 1 13 PHE HB3 1 17 MET HA 2.643 . 3.516 1.992 1.792 2.280 . 0 0 "[ . 1 . 2]" 1
1721 1 33 HIS HB2 1 35 GLU QB 2.959 . 4.054 4.259 4.059 4.309 0.255 19 0 "[ . 1 . 2]" 1
1722 1 12 ARG HA 1 12 ARG HB2 2.520 . 3.314 2.346 2.261 2.411 . 0 0 "[ . 1 . 2]" 1
1723 1 18 LYS HA 1 18 LYS HB3 2.658 . 3.541 2.169 2.045 2.258 . 0 0 "[ . 1 . 2]" 1
1724 1 10 LEU MD1 1 12 ARG HA 2.996 . 4.118 4.023 3.866 4.135 0.017 18 0 "[ . 1 . 2]" 1
1725 1 25 ARG HB2 1 29 LEU MD2 2.671 . 3.563 2.447 2.058 2.709 . 0 0 "[ . 1 . 2]" 1
1726 1 15 MET HG3 1 102 ILE MD 2.766 . 3.723 2.770 2.559 2.862 . 0 0 "[ . 1 . 2]" 1
1727 1 25 ARG HB2 1 29 LEU MD2 2.679 . 3.576 2.434 2.055 2.686 . 0 0 "[ . 1 . 2]" 1
1728 1 78 HIS H 1 78 HIS HB3 3.201 . 4.482 3.211 2.653 3.391 . 0 0 "[ . 1 . 2]" 1
1729 1 33 HIS HB3 1 33 HIS HD2 3.058 . 4.227 3.703 3.663 3.737 . 0 0 "[ . 1 . 2]" 1
1730 1 19 PHE HD2 1 22 CYS HB2 2.976 . 4.083 3.470 2.468 4.205 0.122 15 0 "[ . 1 . 2]" 1
1731 1 46 TRP HD1 1 74 MET HA 3.004 . 4.132 3.159 2.981 3.304 . 0 0 "[ . 1 . 2]" 1
1732 1 46 TRP H 1 46 TRP HB3 2.721 . 3.647 2.710 2.630 3.294 . 0 0 "[ . 1 . 2]" 1
1733 1 21 TYR QD 1 22 CYS HB3 3.168 . 4.423 3.447 2.145 4.439 0.016 5 0 "[ . 1 . 2]" 1
1734 1 84 LEU HA 1 85 GLU QB 3.229 . 4.532 3.961 3.882 4.044 . 0 0 "[ . 1 . 2]" 1
1735 1 10 LEU HA 1 10 LEU HB3 2.422 . 3.155 2.474 2.423 2.592 . 0 0 "[ . 1 . 2]" 1
1736 1 33 HIS HB3 1 35 GLU QB 2.881 . 3.918 3.182 2.880 3.297 . 0 0 "[ . 1 . 2]" 1
1737 1 42 ALA MB 1 46 TRP HA 3.118 . 4.333 4.252 4.154 4.322 . 0 0 "[ . 1 . 2]" 1
1738 1 22 CYS HB3 1 26 ILE MG 2.756 . 3.705 3.210 2.801 3.538 . 0 0 "[ . 1 . 2]" 1
1739 1 33 HIS HE1 1 35 GLU QB 2.457 . 3.212 2.776 2.694 2.855 . 0 0 "[ . 1 . 2]" 1
1740 1 6 SER H 1 7 LYS HD2 3.007 . 4.137 4.050 3.808 4.451 0.314 5 0 "[ . 1 . 2]" 1
1741 1 71 GLN QB 1 71 GLN HE22 2.833 . 3.836 2.765 2.451 3.087 . 0 0 "[ . 1 . 2]" 1
1742 1 33 HIS HD2 1 35 GLU QB 3.001 . 4.127 4.276 4.186 4.323 0.196 18 0 "[ . 1 . 2]" 1
1743 1 44 GLU HB2 1 45 PHE QE 3.125 . 4.346 3.411 3.253 3.633 . 0 0 "[ . 1 . 2]" 1
1744 1 44 GLU HB3 1 45 PHE QE 3.065 . 4.239 4.113 3.860 4.349 0.110 12 0 "[ . 1 . 2]" 1
1745 1 18 LYS QD 1 40 ARG HA 2.746 . 3.689 3.144 2.844 3.566 . 0 0 "[ . 1 . 2]" 1
1746 1 53 ASN HA 1 56 LYS QD 2.368 . 3.069 2.341 1.933 2.989 . 0 0 "[ . 1 . 2]" 1
1747 1 18 LYS QD 1 41 SER QB 2.430 . 3.168 2.608 2.071 2.995 . 0 0 "[ . 1 . 2]" 1
1748 1 73 ARG HB3 1 74 MET HA 2.781 . 3.748 3.567 3.493 3.711 . 0 0 "[ . 1 . 2]" 1
1749 1 4 LEU MD1 1 7 LYS HD2 2.591 . 3.430 3.469 2.744 3.742 0.312 17 0 "[ . 1 . 2]" 1
1750 1 57 SER H 1 59 GLN HB2 2.598 . 3.442 3.499 3.471 3.524 0.082 17 0 "[ . 1 . 2]" 1
1751 1 11 SER HA 1 12 ARG QG 3.205 . 4.489 2.590 2.306 2.963 . 0 0 "[ . 1 . 2]" 1
1752 1 59 GLN HA 1 59 GLN HB2 2.282 . 2.933 2.581 2.555 2.605 . 0 0 "[ . 1 . 2]" 1
1753 1 9 PHE HZ 1 106 ASN HA 3.027 . 4.172 3.845 3.677 3.963 . 0 0 "[ . 1 . 2]" 1
1754 1 9 PHE QD 1 30 ILE HG13 2.971 . 4.074 3.947 3.856 4.007 . 0 0 "[ . 1 . 2]" 1
1755 1 9 PHE HZ 1 30 ILE HG12 3.230 . 4.534 3.978 3.827 4.076 . 0 0 "[ . 1 . 2]" 1
1756 1 40 ARG QD 1 40 ARG HG2 2.522 . 3.317 2.258 2.156 2.376 . 0 0 "[ . 1 . 2]" 1
1757 1 40 ARG QD 1 40 ARG HG3 2.500 . 3.281 2.223 2.158 2.307 . 0 0 "[ . 1 . 2]" 1
1758 1 10 LEU MD1 1 106 ASN HA 2.911 . 3.970 3.461 3.422 3.531 . 0 0 "[ . 1 . 2]" 1
1759 1 17 MET QB 1 42 ALA MB 2.613 . 3.466 3.390 2.716 3.622 0.156 17 0 "[ . 1 . 2]" 1
1760 1 74 MET H 1 84 LEU MD1 2.622 . 3.481 3.288 3.215 3.393 . 0 0 "[ . 1 . 2]" 1
1761 1 4 LEU H 1 4 LEU HG 2.989 . 4.106 2.886 1.883 3.763 . 0 0 "[ . 1 . 2]" 1
1762 1 9 PHE HE2 1 84 LEU MD1 2.360 . 3.056 3.101 2.938 3.348 0.292 10 0 "[ . 1 . 2]" 1
1763 1 40 ARG HG3 1 45 PHE HZ 3.019 . 4.159 3.976 3.827 4.147 . 0 0 "[ . 1 . 2]" 1
1764 1 73 ARG HA 1 84 LEU MD1 2.805 . 3.788 3.840 3.768 3.943 0.155 10 0 "[ . 1 . 2]" 1
1765 1 19 PHE HD2 1 38 LEU HG 2.890 . 3.934 3.428 3.384 3.467 . 0 0 "[ . 1 . 2]" 1
1766 1 72 TYR QD 1 109 LEU QD 2.971 . 4.075 2.602 2.496 2.720 . 0 0 "[ . 1 . 2]" 1
1767 1 9 PHE HB3 1 29 LEU MD1 2.528 . 3.327 2.149 2.008 2.227 . 0 0 "[ . 1 . 2]" 1
1768 1 7 LYS HB3 1 29 LEU MD1 2.499 . 3.280 3.272 3.101 3.405 0.125 14 0 "[ . 1 . 2]" 1
1769 1 98 GLN HB3 1 99 PRO HD2 2.359 . 3.055 2.698 2.635 2.760 . 0 0 "[ . 1 . 2]" 1
1770 1 99 PRO QB 1 99 PRO HD2 2.679 . 3.576 2.822 2.772 2.860 . 0 0 "[ . 1 . 2]" 1
1771 1 99 PRO QB 1 99 PRO HD3 2.553 . 3.368 3.470 3.465 3.474 0.106 10 0 "[ . 1 . 2]" 1
1772 1 42 ALA MB 1 46 TRP HD1 3.022 . 4.164 3.774 3.526 3.968 . 0 0 "[ . 1 . 2]" 1
1773 1 102 ILE MG 1 104 ALA HA 2.731 . 3.663 3.123 3.040 3.211 . 0 0 "[ . 1 . 2]" 1
1774 1 33 HIS H 1 34 PRO HD3 3.276 . 4.617 3.871 3.746 3.900 . 0 0 "[ . 1 . 2]" 1
1775 1 48 ALA H 1 49 LEU QD 3.126 . 4.348 3.786 2.913 3.971 . 0 0 "[ . 1 . 2]" 1
1776 1 19 PHE HE1 1 37 LEU MD1 2.316 . 2.986 2.781 2.703 2.891 . 0 0 "[ . 1 . 2]" 1
1777 1 18 LYS QG 1 40 ARG HA 2.967 . 3.789 2.726 2.396 2.851 . 0 0 "[ . 1 . 2]" 1
1778 1 58 HIS HA 1 61 LEU MD1 2.705 . 3.620 3.660 3.508 3.974 0.354 9 0 "[ . 1 . 2]" 1
1779 1 6 SER HB3 1 7 LYS HG3 3.050 . 4.213 4.188 3.085 4.962 0.749 11 3 "[ . 1+ * . -2]" 1
1780 1 19 PHE HB2 1 37 LEU MD1 3.071 . 4.250 4.338 4.292 4.402 0.152 18 0 "[ . 1 . 2]" 1
1781 1 34 PRO HD2 1 37 LEU MD1 3.193 . 4.467 4.692 4.370 5.055 0.588 10 9 "[ **.*-* +** . * 2]" 1
1782 1 26 ILE HA 1 37 LEU MD1 3.066 . 4.241 4.384 4.346 4.429 0.188 14 0 "[ . 1 . 2]" 1
1783 1 26 ILE HG12 1 34 PRO HD3 3.144 . 4.380 3.775 3.743 3.830 . 0 0 "[ . 1 . 2]" 1
1784 1 32 TYR QE 1 77 LYS QG 2.784 . 3.753 3.259 1.982 3.442 . 0 0 "[ . 1 . 2]" 1
1785 1 32 TYR QD 1 77 LYS QG 2.879 . 3.915 3.545 3.367 3.605 . 0 0 "[ . 1 . 2]" 1
1786 1 61 LEU MD1 1 65 GLY HA2 2.879 . 3.915 3.753 2.953 3.975 0.060 12 0 "[ . 1 . 2]" 1
1787 1 4 LEU H 1 4 LEU MD1 3.060 . 4.231 3.142 2.065 4.048 . 0 0 "[ . 1 . 2]" 1
1788 1 45 PHE QD 1 75 LEU MD1 2.879 . 3.915 3.230 3.140 3.292 . 0 0 "[ . 1 . 2]" 1
1789 1 32 TYR QE 1 75 LEU MD1 3.115 . 4.328 4.329 4.241 4.382 0.054 8 0 "[ . 1 . 2]" 1
1790 1 45 PHE HA 1 75 LEU MD1 2.465 . 3.225 3.379 3.334 3.414 0.189 5 0 "[ . 1 . 2]" 1
1791 1 42 ALA MB 1 86 THR HB 2.689 . 3.593 3.645 3.563 3.736 0.143 16 0 "[ . 1 . 2]" 1
1792 1 54 MET ME 1 86 THR HB 2.714 . 3.634 2.750 2.457 3.047 . 0 0 "[ . 1 . 2]" 1
1793 1 9 PHE H 1 108 VAL MG1 2.935 . 4.011 4.075 4.022 4.127 0.116 6 0 "[ . 1 . 2]" 1
1794 1 9 PHE QE 1 108 VAL MG1 2.136 . 2.707 2.058 1.914 2.196 . 0 0 "[ . 1 . 2]" 1
1795 1 46 TRP HZ2 1 86 THR MG 2.615 . 3.470 3.440 3.320 3.544 0.074 11 0 "[ . 1 . 2]" 1
1796 1 86 THR MG 1 87 GLN HA 2.560 . 3.379 3.290 3.153 3.407 0.028 6 0 "[ . 1 . 2]" 1
1797 1 46 TRP HE3 1 51 SER QB 2.869 . 3.898 3.138 2.954 3.296 . 0 0 "[ . 1 . 2]" 1
1798 1 11 SER HB2 1 104 ALA MB 2.563 . 3.384 3.275 2.566 3.396 0.012 17 0 "[ . 1 . 2]" 1
1799 1 9 PHE HB3 1 108 VAL MG1 2.993 . 4.113 4.239 4.197 4.299 0.186 19 0 "[ . 1 . 2]" 1
1800 1 7 LYS HB3 1 29 LEU MD2 2.199 . 2.804 1.966 1.818 2.151 . 0 0 "[ . 1 . 2]" 1
1801 1 71 GLN QB 1 83 TRP HE3 3.047 . 4.207 2.861 2.472 3.334 . 0 0 "[ . 1 . 2]" 1
1802 1 88 MET HB3 1 104 ALA MB 2.620 . 3.478 3.427 3.276 3.523 0.045 19 0 "[ . 1 . 2]" 1
1803 1 31 GLY H 1 82 VAL QG 2.899 . 3.949 3.969 3.394 4.315 0.366 16 0 "[ . 1 . 2]" 1
1804 1 66 GLN H 1 67 VAL QG 2.904 . 3.958 3.927 3.556 4.047 0.089 10 0 "[ . 1 . 2]" 1
1805 1 19 PHE HD1 1 37 LEU MD2 2.283 . 2.934 3.003 2.947 3.046 0.112 18 0 "[ . 1 . 2]" 1
1806 1 9 PHE HE2 1 82 VAL QG 2.682 . 3.581 3.064 1.670 3.969 0.388 12 0 "[ . 1 . 2]" 1
1807 1 81 TYR QD 1 82 VAL QG 2.729 . 3.660 3.894 3.793 3.948 0.288 1 0 "[ . 1 . 2]" 1
1808 1 32 TYR QD 1 82 VAL QG 2.786 . 3.756 3.914 3.880 3.992 0.236 17 0 "[ . 1 . 2]" 1
1809 1 32 TYR QD 1 37 LEU MD2 2.237 . 2.863 2.425 2.292 2.529 . 0 0 "[ . 1 . 2]" 1
1810 1 108 VAL MG2 1 109 LEU HA 2.542 . 3.349 2.917 2.810 3.077 . 0 0 "[ . 1 . 2]" 1
1811 1 31 GLY HA3 1 78 HIS HD2 3.107 . 4.314 3.979 3.627 4.496 0.182 8 0 "[ . 1 . 2]" 1
1812 1 7 LYS QE 1 108 VAL MG2 2.718 . 3.642 2.791 2.125 3.280 . 0 0 "[ . 1 . 2]" 1
1813 1 60 ASN HB3 1 67 VAL QG 2.308 . 2.974 2.008 1.820 2.520 . 0 0 "[ . 1 . 2]" 1
1814 1 27 THR MG 1 32 TYR HB2 2.975 . 4.082 4.098 3.734 4.206 0.124 5 0 "[ . 1 . 2]" 1
1815 1 26 ILE HG12 1 37 LEU MD2 2.319 . 2.991 3.048 3.036 3.061 0.070 17 0 "[ . 1 . 2]" 1
1816 1 90 VAL MG1 1 92 TYR H 3.003 . 4.130 3.743 3.428 4.133 0.003 2 0 "[ . 1 . 2]" 1
1817 1 67 VAL QG 1 68 VAL H 2.121 . 2.683 2.185 1.974 2.566 . 0 0 "[ . 1 . 2]" 1
1818 1 55 THR MG 1 56 LYS H 2.533 . 3.335 3.284 3.133 3.411 0.076 5 0 "[ . 1 . 2]" 1
1819 1 8 THR MG 1 106 ASN H 3.166 . 4.419 3.207 3.067 3.465 . 0 0 "[ . 1 . 2]" 1
1820 1 57 SER H 1 67 VAL QG 3.188 . 4.458 2.622 1.936 3.544 . 0 0 "[ . 1 . 2]" 1
1821 1 66 GLN HE22 1 89 THR MG 2.772 . 3.732 3.795 3.507 3.942 0.210 2 0 "[ . 1 . 2]" 1
1822 1 8 THR MG 1 9 PHE HA 2.926 . 3.996 3.167 3.117 3.215 . 0 0 "[ . 1 . 2]" 1
1823 1 57 SER HA 1 67 VAL QG 2.369 . 3.070 2.305 1.952 2.718 . 0 0 "[ . 1 . 2]" 1
1824 1 84 LEU HA 1 107 TYR QE 3.231 . 4.536 4.488 4.320 4.636 0.100 13 0 "[ . 1 . 2]" 1
1825 1 87 GLN HA 1 107 TYR QE 3.172 . 4.429 4.363 4.153 4.484 0.055 8 0 "[ . 1 . 2]" 1
1826 1 10 LEU HA 1 105 VAL QG 2.753 . 3.700 3.117 3.096 3.158 . 0 0 "[ . 1 . 2]" 1
1827 1 21 TYR QE 1 23 ASP HA 2.633 . 3.499 3.554 3.507 3.595 0.096 10 0 "[ . 1 . 2]" 1
1828 1 91 ILE HA 1 92 TYR QE 2.951 . 4.039 4.096 3.988 4.173 0.134 4 0 "[ . 1 . 2]" 1
1829 1 85 GLU HG3 1 107 TYR QE 2.707 . 3.623 3.029 2.352 3.552 . 0 0 "[ . 1 . 2]" 1
1830 1 85 GLU HG2 1 107 TYR QE 2.696 . 3.604 2.798 2.298 3.195 . 0 0 "[ . 1 . 2]" 1
1831 1 13 PHE HB2 1 102 ILE MD 2.818 . 3.811 2.267 1.978 2.420 . 0 0 "[ . 1 . 2]" 1
1832 1 32 TYR QE 1 76 ALA MB 2.674 . 3.568 2.694 2.429 3.643 0.075 8 0 "[ . 1 . 2]" 1
1833 1 75 LEU MD1 1 80 GLY HA2 2.716 . 3.638 3.574 3.453 3.651 0.013 10 0 "[ . 1 . 2]" 1
1834 1 10 LEU HB3 1 10 LEU QD 2.550 . 3.363 2.378 2.333 2.487 . 0 0 "[ . 1 . 2]" 1
1835 1 29 LEU HB2 1 29 LEU MD2 2.547 . 3.358 2.688 2.642 2.741 . 0 0 "[ . 1 . 2]" 1
1836 1 47 HIS H 1 50 ASP HB3 3.197 . 4.475 4.044 3.538 4.616 0.141 11 0 "[ . 1 . 2]" 1
1837 1 8 THR H 1 25 ARG HD2 3.209 . 4.496 3.573 3.169 4.447 . 0 0 "[ . 1 . 2]" 1
1838 1 46 TRP HA 1 72 TYR QE 3.087 . 4.278 2.825 2.543 3.025 . 0 0 "[ . 1 . 2]" 1
1839 1 9 PHE HA 1 23 ASP HB2 3.069 . 4.247 3.905 3.680 4.137 . 0 0 "[ . 1 . 2]" 1
1840 1 25 ARG HB2 1 25 ARG HD2 2.770 . 3.729 3.570 3.438 3.711 . 0 0 "[ . 1 . 2]" 1
1841 1 10 LEU HB3 1 23 ASP HB3 2.888 . 3.930 3.674 3.480 3.836 . 0 0 "[ . 1 . 2]" 1
1842 1 10 LEU MD1 1 23 ASP HB2 2.682 . 3.581 3.731 3.647 3.818 0.237 10 0 "[ . 1 . 2]" 1
1843 1 10 LEU QD 1 23 ASP HB3 3.041 . 4.197 3.707 3.424 4.284 0.087 14 0 "[ . 1 . 2]" 1
1844 1 102 ILE MG 1 103 MET H 2.556 . 3.372 2.664 2.474 2.848 . 0 0 "[ . 1 . 2]" 1
1845 1 11 SER HB3 1 19 PHE HD2 2.878 . 3.914 3.871 2.960 3.971 0.057 19 0 "[ . 1 . 2]" 1
1846 1 11 SER HB2 1 19 PHE HD2 2.970 . 4.073 3.224 2.865 4.152 0.079 14 0 "[ . 1 . 2]" 1
1847 1 11 SER HB3 1 13 PHE HZ 3.104 . 4.308 4.186 3.741 4.324 0.016 9 0 "[ . 1 . 2]" 1
1848 1 11 SER HB2 1 22 CYS HA 2.772 . 3.732 2.838 2.782 2.934 . 0 0 "[ . 1 . 2]" 1
1849 1 12 ARG H 1 103 MET ME 2.974 . 4.079 4.077 3.963 4.136 0.057 3 0 "[ . 1 . 2]" 1
1850 1 19 PHE HD2 1 34 PRO HA 2.894 . 3.941 3.817 3.698 3.955 0.014 14 0 "[ . 1 . 2]" 1
1851 1 19 PHE HD2 1 37 LEU HB2 2.637 . 3.506 2.454 2.432 2.482 . 0 0 "[ . 1 . 2]" 1
1852 1 19 PHE QD 1 37 LEU HB3 2.733 . 3.667 2.760 2.564 2.862 . 0 0 "[ . 1 . 2]" 1
1853 1 9 PHE QE 1 106 ASN HB2 3.135 . 4.364 2.937 2.881 3.038 . 0 0 "[ . 1 . 2]" 1
1854 1 9 PHE HE2 1 106 ASN HB3 3.042 . 4.199 2.849 2.800 2.894 . 0 0 "[ . 1 . 2]" 1
1855 1 53 ASN HA 1 56 LYS QE 2.576 . 3.406 3.284 3.125 3.451 0.045 19 0 "[ . 1 . 2]" 1
1856 1 52 GLU HA 1 56 LYS QE 2.642 . 3.514 3.549 3.271 3.680 0.166 16 0 "[ . 1 . 2]" 1
1857 1 75 LEU HA 1 81 TYR QB 3.106 . 4.312 3.775 3.741 3.803 . 0 0 "[ . 1 . 2]" 1
1858 1 91 ILE MG 1 92 TYR HB2 2.915 . 3.977 4.040 3.847 4.199 0.222 19 0 "[ . 1 . 2]" 1
1859 1 82 VAL HB 1 112 ILE MG 2.628 . 3.491 3.613 3.557 3.669 0.178 15 0 "[ . 1 . 2]" 1
1860 1 26 ILE HG12 1 34 PRO HA 2.794 . 3.769 3.277 3.193 3.364 . 0 0 "[ . 1 . 2]" 1
1861 1 4 LEU MD1 1 7 LYS QE 2.603 . 3.450 3.134 1.908 3.670 0.220 20 0 "[ . 1 . 2]" 1
1862 1 73 ARG HB3 1 81 TYR QB 2.787 . 3.758 3.486 3.103 3.733 . 0 0 "[ . 1 . 2]" 1
1863 1 10 LEU MD1 1 106 ASN HB2 2.986 . 4.101 3.881 3.828 3.960 . 0 0 "[ . 1 . 2]" 1
1864 1 21 TYR HB3 1 21 TYR QE 3.185 . 4.453 4.425 4.411 4.433 . 0 0 "[ . 1 . 2]" 1
1865 1 37 LEU HB3 1 38 LEU H 3.301 . 4.663 3.795 3.750 3.832 . 0 0 "[ . 1 . 2]" 1
1866 1 46 TRP HH2 1 88 MET ME 2.961 . 4.057 3.586 3.052 4.010 . 0 0 "[ . 1 . 2]" 1
1867 1 86 THR HA 1 88 MET ME 3.054 . 4.220 4.229 4.199 4.262 0.042 13 0 "[ . 1 . 2]" 1
1868 1 57 SER HB3 1 88 MET ME 2.737 . 3.673 2.745 1.991 3.329 . 0 0 "[ . 1 . 2]" 1
1869 1 57 SER HB2 1 88 MET ME 2.719 . 3.643 3.154 1.914 3.666 0.023 7 0 "[ . 1 . 2]" 1
1870 1 23 ASP HB3 1 26 ILE MG 3.092 . 4.287 4.402 4.365 4.428 0.141 19 0 "[ . 1 . 2]" 1
1871 1 12 ARG HB2 1 21 TYR HB2 2.773 . 3.734 2.946 2.833 3.064 . 0 0 "[ . 1 . 2]" 1
1872 1 4 LEU HB3 1 5 ASP QB 2.898 . 3.948 3.777 3.246 4.054 0.106 10 0 "[ . 1 . 2]" 1
1873 1 12 ARG HB2 1 21 TYR HB3 2.928 . 3.999 1.892 1.845 1.953 0.012 19 0 "[ . 1 . 2]" 1
1874 1 4 LEU QD 1 5 ASP QB 2.849 . 3.864 3.924 3.500 4.179 0.315 13 0 "[ . 1 . 2]" 1
1875 1 14 SER HB3 1 15 MET H 2.792 . 3.766 3.066 2.206 3.517 . 0 0 "[ . 1 . 2]" 1
1876 1 45 PHE HB2 1 45 PHE QE 3.180 . 4.444 3.381 3.156 3.660 . 0 0 "[ . 1 . 2]" 1
1877 1 32 TYR QE 1 45 PHE HB3 3.101 . 4.303 3.390 3.313 3.537 . 0 0 "[ . 1 . 2]" 1
1878 1 92 TYR HB3 1 93 ASN HA 2.883 . 3.922 3.879 3.763 3.967 0.045 19 0 "[ . 1 . 2]" 1
1879 1 24 ASP QB 1 26 ILE MG 2.655 . 3.536 3.351 3.266 3.445 . 0 0 "[ . 1 . 2]" 1
1880 1 26 ILE MG 1 34 PRO HB3 2.353 . 3.045 3.080 2.955 3.117 0.072 20 0 "[ . 1 . 2]" 1
1881 1 30 ILE MD 1 45 PHE HB3 3.165 . 4.417 3.681 3.597 3.753 . 0 0 "[ . 1 . 2]" 1
1882 1 63 THR HA 1 64 LYS H 2.779 . 3.745 3.139 3.123 3.165 . 0 0 "[ . 1 . 2]" 1
1883 1 17 MET ME 1 46 TRP HH2 2.389 . 3.103 2.360 1.845 2.800 . 0 0 "[ . 1 . 2]" 1
1884 1 17 MET ME 1 42 ALA HA 2.930 . 4.003 4.096 3.846 4.326 0.323 10 0 "[ . 1 . 2]" 1
1885 1 13 PHE HB3 1 17 MET ME 2.941 . 4.022 3.215 2.852 3.429 . 0 0 "[ . 1 . 2]" 1
1886 1 14 SER HB3 1 15 MET HG2 3.167 . 4.420 4.079 3.601 4.354 . 0 0 "[ . 1 . 2]" 1
1887 1 99 PRO HA 1 99 PRO HG2 2.916 . 3.979 3.435 3.224 3.563 . 0 0 "[ . 1 . 2]" 1
1888 1 93 ASN HB2 1 100 GLN QB 2.804 . 3.787 3.144 2.316 3.919 0.132 17 0 "[ . 1 . 2]" 1
1889 1 18 LYS QD 1 41 SER QB 2.908 . 3.965 2.994 2.104 3.815 . 0 0 "[ . 1 . 2]" 1
1890 1 18 LYS QG 1 41 SER QB 2.979 . 4.088 2.907 2.312 3.822 . 0 0 "[ . 1 . 2]" 1
1891 1 26 ILE MG 1 32 TYR HB2 2.962 . 4.058 3.270 3.200 3.316 . 0 0 "[ . 1 . 2]" 1
1892 1 46 TRP HZ3 1 54 MET ME 2.644 . 3.518 2.923 2.658 3.191 . 0 0 "[ . 1 . 2]" 1
1893 1 46 TRP HZ2 1 54 MET ME 2.271 . 2.915 2.379 2.213 2.480 . 0 0 "[ . 1 . 2]" 1
1894 1 54 MET ME 1 55 THR HA 2.655 . 3.536 3.744 3.354 4.245 0.709 19 5 "[ *.- * . * +2]" 1
1895 1 46 TRP HB3 1 54 MET ME 2.853 . 3.871 3.693 3.298 3.908 0.037 3 0 "[ . 1 . 2]" 1
1896 1 15 MET HG3 1 102 ILE MD 3.036 . 4.188 4.116 3.096 4.569 0.381 20 0 "[ . 1 . 2]" 1
1897 1 15 MET HB3 1 102 ILE MD 2.534 . 3.336 3.276 3.023 3.423 0.087 20 0 "[ . 1 . 2]" 1
1898 1 48 ALA MB 1 51 SER HB2 2.841 . 3.850 3.719 3.564 3.870 0.020 8 0 "[ . 1 . 2]" 1
1899 1 84 LEU MD1 1 108 VAL HA 2.402 . 3.123 2.592 2.471 2.709 . 0 0 "[ . 1 . 2]" 1
1900 1 90 VAL HA 1 90 VAL MG2 2.469 . 3.231 2.457 2.380 2.560 . 0 0 "[ . 1 . 2]" 1
1901 1 46 TRP HZ3 1 51 SER HA 3.111 . 4.321 3.886 3.582 4.132 . 0 0 "[ . 1 . 2]" 1
1902 1 9 PHE HE1 1 30 ILE MD 2.201 . 2.807 2.202 2.101 2.281 . 0 0 "[ . 1 . 2]" 1
1903 1 111 GLU QB 1 112 ILE HA 2.976 . 4.083 3.507 3.374 3.806 . 0 0 "[ . 1 . 2]" 1
1904 1 76 ALA MB 1 112 ILE HA 2.858 . 3.879 3.397 3.204 3.578 . 0 0 "[ . 1 . 2]" 1
1905 1 112 ILE HA 1 112 ILE MD 2.115 . 2.674 2.422 2.397 2.443 . 0 0 "[ . 1 . 2]" 1
1906 1 10 LEU MD1 1 105 VAL HA 2.110 . 2.666 1.922 1.855 1.961 . 0 0 "[ . 1 . 2]" 1
1907 1 60 ASN HB3 1 61 LEU MD1 2.965 . 4.064 2.080 1.848 2.913 0.018 11 0 "[ . 1 . 2]" 1
1908 1 51 SER HA 1 54 MET HB3 2.354 . 3.047 2.112 2.101 2.122 . 0 0 "[ . 1 . 2]" 1
1909 1 53 ASN HB2 1 53 ASN HD21 2.474 . 3.239 2.592 2.107 3.107 . 0 0 "[ . 1 . 2]" 1
1910 1 72 TYR QE 1 85 GLU HG3 3.069 . 4.246 3.927 3.327 4.208 . 0 0 "[ . 1 . 2]" 1
1911 1 36 GLU HG3 1 37 LEU HG 3.247 . 4.565 4.638 4.358 4.731 0.166 10 0 "[ . 1 . 2]" 1
1912 1 52 GLU H 1 52 GLU HG2 3.030 . 4.177 3.774 3.329 3.999 . 0 0 "[ . 1 . 2]" 1
1913 1 28 GLU HG3 1 29 LEU H 2.717 . 3.640 3.744 3.177 3.873 0.233 13 0 "[ . 1 . 2]" 1
1914 1 33 HIS HB3 1 35 GLU QG 2.691 . 3.596 3.674 3.611 4.019 0.423 4 0 "[ . 1 . 2]" 1
1915 1 19 PHE HA 1 19 PHE QD 2.662 . 3.548 2.793 2.666 2.897 . 0 0 "[ . 1 . 2]" 1
1916 1 8 THR HA 1 9 PHE HE2 3.049 . 4.211 4.362 4.251 4.469 0.258 17 0 "[ . 1 . 2]" 1
1917 1 84 LEU HA 1 107 TYR QD 3.099 . 4.299 4.061 3.995 4.161 . 0 0 "[ . 1 . 2]" 1
1918 1 75 LEU HA 1 81 TYR QD 2.824 . 3.821 3.396 3.347 3.487 . 0 0 "[ . 1 . 2]" 1
1919 1 85 GLU QB 1 107 TYR QD 2.772 . 3.732 3.072 2.907 3.253 . 0 0 "[ . 1 . 2]" 1
1920 1 52 GLU HA 1 52 GLU QB 2.066 . 2.599 2.360 2.334 2.395 . 0 0 "[ . 1 . 2]" 1
1921 1 84 LEU HB2 1 107 TYR QD 3.163 . 4.414 4.397 4.341 4.476 0.062 6 0 "[ . 1 . 2]" 1
1922 1 10 LEU MD2 1 107 TYR QD 3.058 . 4.227 4.511 4.399 4.663 0.436 8 0 "[ . 1 . 2]" 1
1923 1 111 GLU HG2 1 112 ILE MD 2.999 . 4.123 3.345 2.166 4.018 . 0 0 "[ . 1 . 2]" 1
1924 1 56 LYS H 1 56 LYS HA 2.482 . 3.252 2.543 2.464 2.577 . 0 0 "[ . 1 . 2]" 1
1925 1 35 GLU HA 1 36 GLU H 2.658 . 3.541 2.714 2.683 2.731 . 0 0 "[ . 1 . 2]" 1
1926 1 58 HIS H 1 58 HIS HA 2.548 . 3.359 2.718 2.698 2.739 . 0 0 "[ . 1 . 2]" 1
1927 1 19 PHE QD 1 38 LEU H 3.205 . 4.489 4.632 4.593 4.656 0.167 14 0 "[ . 1 . 2]" 1
1928 1 13 PHE HZ 1 19 PHE HD1 2.792 . 3.766 3.595 3.395 3.783 0.017 20 0 "[ . 1 . 2]" 1
1929 1 91 ILE HA 1 92 TYR QD 2.811 . 3.798 2.776 2.713 2.815 . 0 0 "[ . 1 . 2]" 1
1930 1 11 SER HB2 1 19 PHE HD2 2.717 . 3.640 3.043 2.823 3.588 . 0 0 "[ . 1 . 2]" 1
1931 1 19 PHE QD 1 38 LEU HA 2.958 . 4.052 4.071 4.021 4.139 0.087 14 0 "[ . 1 . 2]" 1
1932 1 92 TYR QD 1 97 LEU HA 2.515 . 3.306 3.279 3.166 3.351 0.045 9 0 "[ . 1 . 2]" 1
1933 1 19 PHE HB2 1 19 PHE QD 2.646 . 3.521 2.310 2.284 2.340 . 0 0 "[ . 1 . 2]" 1
1934 1 19 PHE HB3 1 19 PHE QD 2.527 . 3.325 2.470 2.429 2.517 . 0 0 "[ . 1 . 2]" 1
1935 1 92 TYR QD 1 98 GLN QG 2.915 . 3.977 3.989 3.938 4.034 0.057 19 0 "[ . 1 . 2]" 1
1936 1 90 VAL HB 1 92 TYR QD 2.653 . 3.533 3.464 3.408 3.504 . 0 0 "[ . 1 . 2]" 1
1937 1 19 PHE HD1 1 40 ARG HG2 3.193 . 4.467 3.314 2.960 3.730 . 0 0 "[ . 1 . 2]" 1
1938 1 19 PHE HD1 1 37 LEU HB2 3.004 . 4.132 3.221 3.051 3.412 . 0 0 "[ . 1 . 2]" 1
1939 1 90 VAL MG2 1 92 TYR QD 2.824 . 3.821 4.065 4.002 4.126 0.305 4 0 "[ . 1 . 2]" 1
1940 1 91 ILE MD 1 92 TYR QD 2.794 . 3.770 3.455 3.378 3.527 . 0 0 "[ . 1 . 2]" 1
1941 1 32 TYR QD 1 37 LEU HG 2.769 . 3.727 3.639 3.420 3.725 . 0 0 "[ . 1 . 2]" 1
1942 1 19 PHE QD 1 37 LEU MD1 3.154 . 4.397 3.674 3.596 3.748 . 0 0 "[ . 1 . 2]" 1
1943 1 19 PHE QD 1 37 LEU MD2 3.124 . 4.344 4.047 3.873 4.202 . 0 0 "[ . 1 . 2]" 1
1944 1 88 MET HG2 1 89 THR H 2.906 . 3.962 2.800 2.461 3.167 . 0 0 "[ . 1 . 2]" 1
1945 1 17 MET H 1 18 LYS HB2 3.230 . 4.534 4.503 4.391 4.581 0.047 11 0 "[ . 1 . 2]" 1
1946 1 71 GLN HE22 1 71 GLN HG3 2.634 . 3.501 2.208 2.140 2.674 . 0 0 "[ . 1 . 2]" 1
1947 1 32 TYR QD 1 74 MET HG2 3.298 . 4.658 4.033 3.923 4.205 . 0 0 "[ . 1 . 2]" 1
1948 1 46 TRP HA 1 47 HIS HA 3.152 . 4.394 4.167 4.124 4.218 . 0 0 "[ . 1 . 2]" 1
1949 1 45 PHE HA 1 74 MET HG3 3.195 . 4.471 4.224 4.129 4.350 . 0 0 "[ . 1 . 2]" 1
1950 1 45 PHE HA 1 74 MET HG2 3.257 . 4.583 4.186 4.155 4.267 . 0 0 "[ . 1 . 2]" 1
1951 1 9 PHE HB3 1 25 ARG HA 3.132 . 4.358 4.061 4.008 4.181 . 0 0 "[ . 1 . 2]" 1
1952 1 16 ASP HB2 1 18 LYS HB2 2.893 . 3.939 3.288 2.785 3.739 . 0 0 "[ . 1 . 2]" 1
1953 1 45 PHE QD 1 74 MET ME 2.671 . 3.563 1.907 1.830 1.998 . 0 0 "[ . 1 . 2]" 1
1954 1 10 LEU HB2 1 21 TYR QD 2.932 . 4.007 3.475 3.211 3.821 . 0 0 "[ . 1 . 2]" 1
1955 1 10 LEU HB3 1 21 TYR QD 2.856 . 3.876 3.332 3.223 3.556 . 0 0 "[ . 1 . 2]" 1
1956 1 74 MET HB3 1 74 MET HG2 2.320 . 2.993 2.129 2.118 2.140 . 0 0 "[ . 1 . 2]" 1
1957 1 91 ILE HB 1 91 ILE MD 2.342 . 3.027 2.769 2.569 2.862 . 0 0 "[ . 1 . 2]" 1
1958 1 3 PHE QD 1 4 LEU HB3 3.009 . 4.141 2.872 1.911 4.699 0.558 1 2 "[+ . - 1 . 2]" 1
1959 1 9 PHE QE 1 108 VAL MG1 2.656 . 3.538 2.064 1.918 2.202 . 0 0 "[ . 1 . 2]" 1
1960 1 10 LEU MD1 1 21 TYR QD 2.807 . 3.792 3.743 3.563 3.870 0.078 8 0 "[ . 1 . 2]" 1
1961 1 9 PHE QE 1 29 LEU MD1 2.479 . 3.247 2.569 2.453 2.634 . 0 0 "[ . 1 . 2]" 1
1962 1 25 ARG HA 1 27 THR HG1 3.037 . 4.190 4.344 4.291 4.455 0.265 18 0 "[ . 1 . 2]" 1
1963 1 30 ILE MD 1 74 MET HG3 2.796 . 3.773 3.396 3.338 3.446 . 0 0 "[ . 1 . 2]" 1
1964 1 30 ILE MD 1 74 MET HG2 2.743 . 3.683 2.289 2.182 2.415 . 0 0 "[ . 1 . 2]" 1
1965 1 10 LEU MD1 1 103 MET HB3 2.852 . 3.869 3.711 3.611 3.832 . 0 0 "[ . 1 . 2]" 1
1966 1 61 LEU MD1 1 66 GLN HG3 2.252 . 2.886 2.828 1.768 3.374 0.488 9 0 "[ . 1 . 2]" 1
1967 1 91 ILE MG 1 103 MET HB2 2.714 . 3.635 3.788 3.743 3.838 0.203 14 0 "[ . 1 . 2]" 1
1968 1 9 PHE QE 1 26 ILE MD 2.956 . 4.048 2.152 2.048 2.259 . 0 0 "[ . 1 . 2]" 1
1969 1 17 MET QG 1 46 TRP HH2 2.986 . 4.101 3.079 2.282 3.582 . 0 0 "[ . 1 . 2]" 1
1970 1 17 MET QG 1 42 ALA HA 2.721 . 3.647 3.454 3.331 3.591 . 0 0 "[ . 1 . 2]" 1
1971 1 11 SER HB2 1 19 PHE HE2 2.497 . 3.277 2.026 1.925 2.374 . 0 0 "[ . 1 . 2]" 1
1972 1 17 MET QG 1 58 HIS HB2 2.867 . 3.895 2.667 2.364 3.947 0.052 12 0 "[ . 1 . 2]" 1
1973 1 32 TYR HA 1 32 TYR HB2 2.511 . 3.299 2.748 2.683 2.889 . 0 0 "[ . 1 . 2]" 1
1974 1 30 ILE MD 1 45 PHE QD 2.782 . 3.749 3.612 3.443 3.729 . 0 0 "[ . 1 . 2]" 1
1975 1 26 ILE MG 1 32 TYR HA 2.811 . 3.798 3.845 3.776 3.927 0.129 8 0 "[ . 1 . 2]" 1
1976 1 19 PHE QE 1 37 LEU MD1 3.061 . 4.232 3.060 2.954 3.196 . 0 0 "[ . 1 . 2]" 1
1977 1 62 CYS H 1 63 THR HA 2.847 . 3.860 3.456 3.361 3.560 . 0 0 "[ . 1 . 2]" 1
1978 1 43 SER HB3 1 46 TRP HZ3 3.287 . 4.638 3.997 3.567 4.673 0.035 8 0 "[ . 1 . 2]" 1
1979 1 40 ARG QD 1 45 PHE HZ 2.992 . 4.111 1.946 1.837 2.093 0.036 12 0 "[ . 1 . 2]" 1
1980 1 10 LEU MD2 1 105 VAL HA 2.212 . 2.823 2.935 2.891 2.963 0.140 9 0 "[ . 1 . 2]" 1
1981 1 9 PHE HZ 1 30 ILE MG 2.899 . 3.950 3.950 3.842 4.022 0.072 19 0 "[ . 1 . 2]" 1
1982 1 15 MET ME 1 102 ILE MD 2.006 . 2.509 2.207 1.939 2.548 0.039 6 0 "[ . 1 . 2]" 1
1983 1 42 ALA HA 1 43 SER H 3.109 . 4.318 3.178 3.017 3.274 . 0 0 "[ . 1 . 2]" 1
1984 1 30 ILE HA 1 30 ILE MD 2.340 . 3.024 3.122 3.076 3.149 0.125 13 0 "[ . 1 . 2]" 1
1985 1 47 HIS H 1 81 TYR QE 2.851 . 3.867 3.075 2.764 3.279 . 0 0 "[ . 1 . 2]" 1
1986 1 10 LEU QD 1 21 TYR HE2 2.544 . 3.353 3.483 3.199 3.642 0.289 20 0 "[ . 1 . 2]" 1
1987 1 45 PHE QD 1 76 ALA H 3.417 . 4.877 3.953 3.800 4.122 . 0 0 "[ . 1 . 2]" 1
1988 1 75 LEU HB2 1 76 ALA H 2.870 . 3.900 3.865 3.849 3.886 . 0 0 "[ . 1 . 2]" 1
1989 1 48 ALA H 1 49 LEU QD 2.747 . 3.690 3.717 2.893 3.863 0.173 8 0 "[ . 1 . 2]" 1
1990 1 82 VAL HB 1 113 GLU H 2.544 . 3.353 3.393 3.192 3.459 0.106 2 0 "[ . 1 . 2]" 1
1991 1 12 ARG HB3 1 104 ALA H 2.904 . 3.958 4.147 4.069 4.214 0.256 12 0 "[ . 1 . 2]" 1
1992 1 10 LEU MD1 1 104 ALA H 2.895 . 3.942 3.358 3.256 3.455 . 0 0 "[ . 1 . 2]" 1
1993 1 10 LEU H 1 10 LEU HB3 2.416 . 3.146 3.230 3.130 3.265 0.119 13 0 "[ . 1 . 2]" 1
1994 1 74 MET HB3 1 75 LEU H 2.494 . 3.271 3.132 3.102 3.153 . 0 0 "[ . 1 . 2]" 1
1995 1 89 THR MG 1 91 ILE H 2.933 . 4.009 3.695 3.515 3.776 . 0 0 "[ . 1 . 2]" 1
1996 1 82 VAL QG 1 109 LEU H 2.952 . 4.042 3.564 3.517 3.612 . 0 0 "[ . 1 . 2]" 1
1997 1 90 VAL MG2 1 91 ILE H 2.483 . 3.254 3.296 3.226 3.364 0.110 17 0 "[ . 1 . 2]" 1
1998 1 22 CYS H 1 23 ASP H 3.036 . 4.188 3.905 3.875 3.928 . 0 0 "[ . 1 . 2]" 1
1999 1 21 TYR QE 1 22 CYS H 2.924 . 3.993 4.024 3.975 4.063 0.070 14 0 "[ . 1 . 2]" 1
2000 1 21 TYR HB2 1 22 CYS H 2.727 . 3.656 3.694 3.664 3.720 0.064 6 0 "[ . 1 . 2]" 1
2001 1 21 TYR HB3 1 22 CYS H 2.481 . 3.250 3.292 3.174 3.376 0.126 6 0 "[ . 1 . 2]" 1
2002 1 87 GLN QB 1 88 MET H 2.748 . 3.692 3.279 3.022 3.496 . 0 0 "[ . 1 . 2]" 1
2003 1 9 PHE QD 1 106 ASN H 3.234 . 4.541 3.980 3.930 4.037 . 0 0 "[ . 1 . 2]" 1
2004 1 10 LEU HA 1 106 ASN H 2.648 . 3.525 2.643 2.578 2.682 . 0 0 "[ . 1 . 2]" 1
2005 1 46 TRP HB3 1 47 HIS H 2.362 . 3.059 2.492 2.305 2.583 . 0 0 "[ . 1 . 2]" 1
2006 1 47 HIS H 1 73 ARG HB3 2.757 . 3.707 3.785 3.668 4.147 0.440 9 0 "[ . 1 . 2]" 1
2007 1 10 LEU MD1 1 106 ASN H 2.467 . 3.228 2.753 2.696 2.783 . 0 0 "[ . 1 . 2]" 1
2008 1 73 ARG H 1 74 MET H 3.150 . 4.391 4.069 4.008 4.122 . 0 0 "[ . 1 . 2]" 1
2009 1 32 TYR HB2 1 33 HIS H 2.545 . 3.355 3.204 2.981 3.719 0.364 8 0 "[ . 1 . 2]" 1
2010 1 7 LYS HB3 1 108 VAL H 2.404 . 3.127 2.617 2.285 2.855 . 0 0 "[ . 1 . 2]" 1
2011 1 52 GLU H 1 52 GLU QB 2.536 . 3.340 2.204 2.180 2.237 . 0 0 "[ . 1 . 2]" 1
2012 1 26 ILE HG12 1 33 HIS H 2.984 . 4.097 3.598 3.411 3.835 . 0 0 "[ . 1 . 2]" 1
2013 1 84 LEU H 1 84 LEU MD1 2.788 . 3.759 2.245 2.167 2.302 . 0 0 "[ . 1 . 2]" 1
2014 1 82 VAL QG 1 84 LEU H 2.713 . 3.633 3.315 3.284 3.371 . 0 0 "[ . 1 . 2]" 1
2015 1 84 LEU H 1 84 LEU QD 2.819 . 3.812 2.001 1.932 2.091 . 0 0 "[ . 1 . 2]" 1
2016 1 29 LEU MD2 1 108 VAL H 2.899 . 3.950 3.263 3.230 3.330 . 0 0 "[ . 1 . 2]" 1
2017 1 73 ARG HB3 1 74 MET H 2.685 . 3.586 3.219 3.033 3.383 . 0 0 "[ . 1 . 2]" 1
2018 1 8 THR MG 1 108 VAL H 2.697 . 3.606 3.676 3.642 3.706 0.100 5 0 "[ . 1 . 2]" 1
2019 1 4 LEU H 1 4 LEU QD 2.942 . 4.024 3.223 2.245 3.848 . 0 0 "[ . 1 . 2]" 1
2020 1 26 ILE MG 1 33 HIS H 2.950 . 4.038 3.994 3.884 4.055 0.017 9 0 "[ . 1 . 2]" 1
2021 1 84 LEU HA 1 107 TYR H 2.709 . 3.626 3.527 3.414 3.627 0.001 8 0 "[ . 1 . 2]" 1
2022 1 93 ASN H 1 98 GLN HB2 2.869 . 3.898 3.631 3.448 3.829 . 0 0 "[ . 1 . 2]" 1
2023 1 8 THR MG 1 107 TYR H 2.785 . 3.755 3.743 3.683 3.764 0.009 14 0 "[ . 1 . 2]" 1
2024 1 6 SER QB 1 7 LYS H 3.279 . 4.623 3.268 2.417 4.028 . 0 0 "[ . 1 . 2]" 1
2025 1 7 LYS H 1 7 LYS HD3 2.825 . 3.822 2.607 2.440 2.826 . 0 0 "[ . 1 . 2]" 1
2026 1 68 VAL QG 1 86 THR H 3.078 . 4.262 4.198 3.668 4.536 0.274 18 0 "[ . 1 . 2]" 1
2027 1 41 SER HA 1 44 GLU H 3.187 . 4.457 4.448 4.377 4.505 0.048 8 0 "[ . 1 . 2]" 1
2028 1 24 ASP HA 1 27 THR H 2.737 . 3.673 3.287 3.185 3.414 . 0 0 "[ . 1 . 2]" 1
2029 1 24 ASP QB 1 27 THR H 3.225 . 4.525 4.279 4.020 4.695 0.170 18 0 "[ . 1 . 2]" 1
2030 1 25 ARG HB3 1 27 THR H 3.066 . 4.241 4.338 4.200 4.389 0.148 4 0 "[ . 1 . 2]" 1
2031 1 57 SER HA 1 58 HIS H 2.680 . 3.578 2.731 2.707 2.752 . 0 0 "[ . 1 . 2]" 1
2032 1 19 PHE H 1 38 LEU HA 2.909 . 3.967 3.935 3.828 3.995 0.028 19 0 "[ . 1 . 2]" 1
2033 1 23 ASP HB2 1 25 ARG H 3.061 . 4.232 3.787 3.665 4.012 . 0 0 "[ . 1 . 2]" 1
2034 1 67 VAL H 1 67 VAL QG 2.750 . 3.696 2.552 2.085 3.104 . 0 0 "[ . 1 . 2]" 1
2035 1 27 THR HG1 1 28 GLU H 2.925 . 3.995 4.007 3.973 4.024 0.029 10 0 "[ . 1 . 2]" 1
2036 1 47 HIS HE1 1 49 LEU H 2.968 . 4.069 3.328 3.099 3.437 . 0 0 "[ . 1 . 2]" 1
2037 1 46 TRP HZ3 1 54 MET H 3.269 . 4.604 4.562 4.161 4.784 0.180 9 0 "[ . 1 . 2]" 1
2038 1 52 GLU HA 1 55 THR H 2.511 . 3.299 3.114 3.008 3.183 . 0 0 "[ . 1 . 2]" 1
2039 1 12 ARG QD 1 13 PHE H 3.112 . 4.322 4.292 3.479 5.111 0.789 16 3 "[ - . * .+ 2]" 1
2040 1 47 HIS HB3 1 73 ARG H 2.554 . 3.369 3.070 2.378 3.338 . 0 0 "[ . 1 . 2]" 1
2041 1 47 HIS HB2 1 73 ARG H 2.615 . 3.469 2.323 2.092 2.579 . 0 0 "[ . 1 . 2]" 1
2042 1 24 ASP H 1 34 PRO HB3 2.966 . 4.065 3.882 3.627 4.082 0.017 1 0 "[ . 1 . 2]" 1
2043 1 24 ASP H 1 25 ARG HB3 3.094 . 4.291 4.407 4.237 4.928 0.637 18 3 "[ - 1 . *+ 2]" 1
2044 1 12 ARG HB2 1 13 PHE H 2.727 . 3.657 3.555 3.428 3.613 . 0 0 "[ . 1 . 2]" 1
2045 1 13 PHE H 1 102 ILE MD 3.006 . 4.135 3.211 3.092 3.317 . 0 0 "[ . 1 . 2]" 1
2046 1 102 ILE H 1 102 ILE QG 2.858 . 3.879 2.624 2.453 2.816 . 0 0 "[ . 1 . 2]" 1
2047 1 42 ALA MB 1 46 TRP H 3.132 . 4.358 4.387 4.206 4.467 0.109 18 0 "[ . 1 . 2]" 1
2048 1 12 ARG H 1 19 PHE HA 2.977 . 4.085 3.603 3.531 3.689 . 0 0 "[ . 1 . 2]" 1
2049 1 92 TYR HB3 1 98 GLN H 2.923 . 3.991 3.338 2.947 3.468 . 0 0 "[ . 1 . 2]" 1
2050 1 12 ARG H 1 12 ARG HB2 2.810 . 3.797 2.558 2.516 2.597 . 0 0 "[ . 1 . 2]" 1
2051 1 33 HIS H 1 37 LEU H 3.052 . 4.216 3.978 3.930 4.043 . 0 0 "[ . 1 . 2]" 1
2052 1 40 ARG HA 1 41 SER H 2.082 . 2.624 2.560 2.535 2.598 . 0 0 "[ . 1 . 2]" 1
2053 1 47 HIS HB3 1 50 ASP H 2.555 . 3.371 2.709 2.442 2.948 . 0 0 "[ . 1 . 2]" 1
2054 1 35 GLU QB 1 36 GLU H 2.211 . 2.822 2.855 2.708 2.911 0.089 17 0 "[ . 1 . 2]" 1
2055 1 36 GLU H 1 37 LEU HB2 2.980 . 4.090 4.273 4.248 4.299 0.209 14 0 "[ . 1 . 2]" 1
2056 1 54 MET HA 1 57 SER H 2.480 . 3.249 2.921 2.512 3.142 . 0 0 "[ . 1 . 2]" 1
2057 1 92 TYR HB3 1 97 LEU H 3.132 . 4.358 3.789 3.334 3.847 . 0 0 "[ . 1 . 2]" 1
2058 1 82 VAL H 1 82 VAL HB 2.692 . 3.598 2.807 2.684 2.908 . 0 0 "[ . 1 . 2]" 1
2059 1 88 MET HB2 1 89 THR H 2.801 . 3.782 3.884 3.830 3.965 0.183 11 0 "[ . 1 . 2]" 1
2060 1 73 ARG QD 1 82 VAL H 2.860 . 3.882 3.668 3.460 3.991 0.109 3 0 "[ . 1 . 2]" 1
2061 1 73 ARG HB3 1 82 VAL H 2.709 . 3.626 3.641 3.357 3.810 0.184 20 0 "[ . 1 . 2]" 1
2062 1 47 HIS H 1 51 SER H 3.163 . 4.414 4.308 4.154 4.459 0.045 16 0 "[ . 1 . 2]" 1
2063 1 24 ASP HA 1 26 ILE H 2.593 . 3.434 3.146 3.097 3.232 . 0 0 "[ . 1 . 2]" 1
2064 1 51 SER H 1 51 SER QB 2.196 . 2.799 2.241 2.217 2.254 . 0 0 "[ . 1 . 2]" 1
2065 1 9 PHE HB3 1 26 ILE H 2.428 . 3.165 2.586 2.548 2.622 . 0 0 "[ . 1 . 2]" 1
2066 1 46 TRP HB3 1 51 SER H 2.734 . 3.668 3.150 2.579 3.544 . 0 0 "[ . 1 . 2]" 1
2067 1 28 GLU QG 1 29 LEU H 2.814 . 3.804 3.027 2.879 3.387 . 0 0 "[ . 1 . 2]" 1
2068 1 25 ARG HB3 1 26 ILE H 2.590 . 3.428 3.325 2.821 3.474 0.046 7 0 "[ . 1 . 2]" 1
2069 1 95 ARG H 1 95 ARG QG 2.701 . 3.613 2.880 2.258 3.521 . 0 0 "[ . 1 . 2]" 1
2070 1 30 ILE HG13 1 32 TYR H 2.565 . 3.388 3.443 3.408 3.502 0.114 18 0 "[ . 1 . 2]" 1
2071 1 81 TYR H 1 112 ILE HG12 2.865 . 3.891 3.543 3.470 3.618 . 0 0 "[ . 1 . 2]" 1
2072 1 26 ILE H 1 26 ILE HG12 2.475 . 3.241 3.324 3.285 3.382 0.141 3 0 "[ . 1 . 2]" 1
2073 1 26 ILE HG12 1 32 TYR H 2.458 . 3.213 3.062 3.036 3.132 . 0 0 "[ . 1 . 2]" 1
2074 1 9 PHE H 1 9 PHE QE 2.846 . 3.858 3.952 3.924 3.989 0.131 18 0 "[ . 1 . 2]" 1
2075 1 15 MET HA 1 16 ASP H 2.738 . 3.675 2.751 2.676 2.786 . 0 0 "[ . 1 . 2]" 1
2076 1 33 HIS HB3 1 35 GLU H 2.588 . 3.425 2.687 2.513 2.741 . 0 0 "[ . 1 . 2]" 1
2077 1 9 PHE H 1 9 PHE HB2 3.080 . 4.265 3.454 3.339 3.514 . 0 0 "[ . 1 . 2]" 1
2078 1 15 MET HB3 1 16 ASP H 3.178 . 4.440 3.918 3.700 4.124 . 0 0 "[ . 1 . 2]" 1
2079 1 14 SER H 1 18 LYS HB2 3.120 . 4.337 3.449 3.193 3.772 . 0 0 "[ . 1 . 2]" 1
2080 1 35 GLU H 1 37 LEU HB2 2.924 . 3.993 3.867 3.695 3.916 . 0 0 "[ . 1 . 2]" 1
2081 1 14 SER H 1 102 ILE MD 3.247 . 4.564 4.212 3.923 4.517 . 0 0 "[ . 1 . 2]" 1
2082 1 26 ILE MG 1 35 GLU H 3.133 . 4.360 4.101 4.002 4.139 . 0 0 "[ . 1 . 2]" 1
2083 1 44 GLU QG 1 45 PHE H 2.960 . 4.056 3.587 3.542 3.629 . 0 0 "[ . 1 . 2]" 1
2084 1 42 ALA MB 1 45 PHE H 3.265 . 4.597 4.281 4.122 4.364 . 0 0 "[ . 1 . 2]" 1
2085 1 11 SER H 1 11 SER HB2 2.946 . 4.031 3.217 2.839 3.300 . 0 0 "[ . 1 . 2]" 1
2086 1 19 PHE HB3 1 20 THR H 2.941 . 4.022 3.449 3.391 3.507 . 0 0 "[ . 1 . 2]" 1
2087 1 7 LYS HB2 1 8 THR H 2.738 . 3.675 3.344 2.717 3.674 . 0 0 "[ . 1 . 2]" 1
2088 1 7 LYS HD3 1 8 THR H 2.885 . 3.925 4.300 3.961 4.606 0.681 7 6 "[ . +* - * ** 2]" 1
2089 1 20 THR H 1 38 LEU MD1 3.320 . 4.698 4.869 4.802 4.898 0.200 4 0 "[ . 1 . 2]" 1
2090 1 8 THR H 1 8 THR MG 2.434 . 3.175 3.131 3.038 3.214 0.039 6 0 "[ . 1 . 2]" 1
2091 1 10 LEU HB2 1 11 SER H 2.850 . 3.865 2.752 2.518 2.989 . 0 0 "[ . 1 . 2]" 1
2092 1 96 ASN H 1 97 LEU HB2 3.007 . 4.138 4.307 4.269 4.378 0.240 7 0 "[ . 1 . 2]" 1
2093 1 100 GLN QB 1 100 GLN HE22 3.109 . 4.317 4.047 3.187 4.366 0.049 5 0 "[ . 1 . 2]" 1
2094 1 91 ILE MG 1 101 CYS H 2.927 . 3.998 3.623 3.354 3.999 0.001 19 0 "[ . 1 . 2]" 1
2095 1 30 ILE H 1 30 ILE HG12 2.405 . 3.128 3.011 2.992 3.030 . 0 0 "[ . 1 . 2]" 1
2096 1 20 THR HA 1 39 GLY H 3.053 . 4.218 3.916 3.858 4.027 . 0 0 "[ . 1 . 2]" 1
2097 1 39 GLY H 1 40 ARG QB 3.205 . 4.489 4.618 4.579 4.654 0.165 5 0 "[ . 1 . 2]" 1
2098 1 38 LEU HB3 1 39 GLY H 2.707 . 3.623 3.441 3.406 3.490 . 0 0 "[ . 1 . 2]" 1
2099 1 18 LYS HB3 1 39 GLY H 3.062 . 4.234 3.778 3.589 3.943 . 0 0 "[ . 1 . 2]" 1
2100 1 30 ILE HG12 1 31 GLY H 2.726 . 3.655 3.626 3.607 3.637 . 0 0 "[ . 1 . 2]" 1
2101 1 27 THR HG1 1 31 GLY H 2.746 . 3.688 3.769 3.751 3.792 0.104 10 0 "[ . 1 . 2]" 1
2102 1 26 ILE HG12 1 31 GLY H 2.558 . 3.376 3.495 3.472 3.527 0.151 8 0 "[ . 1 . 2]" 1
2103 1 10 LEU HA 1 106 ASN HD21 2.993 . 4.113 3.267 2.732 3.374 . 0 0 "[ . 1 . 2]" 1
2104 1 11 SER HB2 1 106 ASN HD21 3.033 . 4.183 3.542 2.823 3.687 . 0 0 "[ . 1 . 2]" 1
2105 1 8 THR MG 1 106 ASN HD21 3.041 . 4.197 3.864 3.599 3.962 . 0 0 "[ . 1 . 2]" 1
2106 1 75 LEU MD1 1 80 GLY H 2.621 . 3.480 3.192 3.114 3.261 . 0 0 "[ . 1 . 2]" 1
2107 1 32 TYR QE 1 77 LYS H 2.757 . 3.707 3.629 3.518 3.708 0.001 14 0 "[ . 1 . 2]" 1
2108 1 30 ILE HB 1 77 LYS H 3.071 . 4.250 3.887 3.778 4.031 . 0 0 "[ . 1 . 2]" 1
2109 1 10 LEU HA 1 106 ASN HD22 3.039 . 4.194 4.066 3.789 4.151 . 0 0 "[ . 1 . 2]" 1
2110 1 11 SER HB2 1 106 ASN HD22 2.960 . 4.056 3.362 2.291 3.987 . 0 0 "[ . 1 . 2]" 1
2111 1 10 LEU MD1 1 21 TYR HE2 3.068 . 4.244 3.869 3.719 4.029 . 0 0 "[ . 1 . 2]" 1
2112 1 35 GLU QB 1 37 LEU H 2.676 . 3.571 3.617 3.560 3.667 0.096 8 0 "[ . 1 . 2]" 1
2113 1 100 GLN QB 1 100 GLN HE21 3.107 . 4.314 3.579 1.879 3.984 0.021 2 0 "[ . 1 . 2]" 1
2114 1 59 GLN HE22 1 59 GLN HG3 2.654 . 3.534 3.231 3.092 3.594 0.060 11 0 "[ . 1 . 2]" 1
2115 1 71 GLN QB 1 71 GLN HE21 3.020 . 4.160 3.143 1.648 3.738 0.232 19 0 "[ . 1 . 2]" 1
2116 1 15 MET HA 1 17 MET H 2.701 . 3.613 2.908 2.848 2.999 . 0 0 "[ . 1 . 2]" 1
2117 1 25 ARG H 1 25 ARG HB3 2.339 . 3.023 2.394 2.236 2.706 . 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 28
_Distance_constraint_stats_list.Viol_count 210
_Distance_constraint_stats_list.Viol_total 283.776
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.0676
_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 7 LYS 0.065 0.024 8 0 "[ . 1 . 2]"
1 10 LEU 1.693 0.134 14 0 "[ . 1 . 2]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.132 0.042 1 0 "[ . 1 . 2]"
1 17 MET 1.087 0.138 8 0 "[ . 1 . 2]"
1 23 ASP 1.693 0.134 14 0 "[ . 1 . 2]"
1 25 ARG 0.555 0.041 8 0 "[ . 1 . 2]"
1 26 ILE 2.029 0.114 3 0 "[ . 1 . 2]"
1 28 GLU 0.555 0.041 8 0 "[ . 1 . 2]"
1 30 ILE 2.029 0.114 3 0 "[ . 1 . 2]"
1 33 HIS 0.014 0.008 14 0 "[ . 1 . 2]"
1 36 GLU 0.014 0.008 14 0 "[ . 1 . 2]"
1 42 ALA 0.954 0.138 8 0 "[ . 1 . 2]"
1 47 HIS 0.811 0.082 13 0 "[ . 1 . 2]"
1 50 ASP 0.811 0.082 13 0 "[ . 1 . 2]"
1 52 GLU 0.629 0.130 19 0 "[ . 1 . 2]"
1 55 THR 0.629 0.130 19 0 "[ . 1 . 2]"
1 83 TRP 6.356 0.145 6 0 "[ . 1 . 2]"
1 85 GLU 0.138 0.055 17 0 "[ . 1 . 2]"
1 91 ILE 0.814 0.081 2 0 "[ . 1 . 2]"
1 101 CYS 0.814 0.081 2 0 "[ . 1 . 2]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TYR 0.138 0.055 17 0 "[ . 1 . 2]"
1 108 VAL 0.065 0.024 8 0 "[ . 1 . 2]"
1 109 LEU 2.409 0.142 4 0 "[ . 1 . 2]"
1 110 SER 3.946 0.145 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 LYS O 1 108 VAL H 1.800 . 2.300 2.029 1.833 2.271 . 0 0 "[ . 1 . 2]" 2
2 1 7 LYS O 1 108 VAL N 2.800 2.800 3.300 2.926 2.776 3.131 0.024 8 0 "[ . 1 . 2]" 2
3 1 10 LEU O 1 23 ASP H 1.800 . 2.300 1.837 1.788 1.908 0.012 20 0 "[ . 1 . 2]" 2
4 1 10 LEU O 1 23 ASP N 2.800 2.800 3.300 2.716 2.666 2.749 0.134 14 0 "[ . 1 . 2]" 2
5 1 13 PHE H 1 102 ILE O 1.800 . 2.300 2.042 1.925 2.275 . 0 0 "[ . 1 . 2]" 2
6 1 13 PHE N 1 102 ILE O 2.800 2.800 3.300 2.960 2.842 3.175 . 0 0 "[ . 1 . 2]" 2
7 1 14 SER O 1 17 MET H 1.800 . 2.300 1.961 1.864 2.133 . 0 0 "[ . 1 . 2]" 2
8 1 14 SER O 1 17 MET N 2.800 2.800 3.300 2.854 2.758 3.021 0.042 1 0 "[ . 1 . 2]" 2
9 1 17 MET O 1 42 ALA H 1.800 . 2.300 2.280 1.867 2.438 0.138 8 0 "[ . 1 . 2]" 2
10 1 17 MET O 1 42 ALA N 2.800 2.800 3.300 3.216 2.849 3.334 0.034 8 0 "[ . 1 . 2]" 2
11 1 25 ARG O 1 28 GLU H 1.800 . 2.300 2.094 2.062 2.147 . 0 0 "[ . 1 . 2]" 2
12 1 25 ARG O 1 28 GLU N 2.800 2.800 3.300 2.772 2.759 2.798 0.041 8 0 "[ . 1 . 2]" 2
13 1 26 ILE O 1 30 ILE H 1.800 . 2.300 1.816 1.799 1.850 0.001 18 0 "[ . 1 . 2]" 2
14 1 26 ILE O 1 30 ILE N 2.800 2.800 3.300 2.699 2.686 2.710 0.114 3 0 "[ . 1 . 2]" 2
15 1 33 HIS O 1 36 GLU H 1.800 . 2.300 1.998 1.940 2.060 . 0 0 "[ . 1 . 2]" 2
16 1 33 HIS O 1 36 GLU N 2.800 2.800 3.300 2.823 2.792 2.874 0.008 14 0 "[ . 1 . 2]" 2
17 1 47 HIS O 1 50 ASP H 1.800 . 2.300 1.863 1.805 1.917 . 0 0 "[ . 1 . 2]" 2
18 1 47 HIS O 1 50 ASP N 2.800 2.800 3.300 2.763 2.718 2.833 0.082 13 0 "[ . 1 . 2]" 2
19 1 52 GLU O 1 55 THR H 1.800 . 2.300 2.289 2.107 2.430 0.130 19 0 "[ . 1 . 2]" 2
20 1 52 GLU O 1 55 THR N 2.800 2.800 3.300 2.938 2.850 3.077 . 0 0 "[ . 1 . 2]" 2
21 1 83 TRP O 1 109 LEU H 1.800 . 2.300 1.933 1.869 1.975 . 0 0 "[ . 1 . 2]" 2
22 1 83 TRP O 1 109 LEU N 2.800 2.800 3.300 2.680 2.658 2.707 0.142 4 0 "[ . 1 . 2]" 2
23 1 83 TRP O 1 110 SER H 1.800 . 2.300 2.410 2.372 2.445 0.145 6 0 "[ . 1 . 2]" 2
24 1 83 TRP O 1 110 SER N 2.800 2.800 3.300 3.387 3.350 3.420 0.120 6 0 "[ . 1 . 2]" 2
25 1 85 GLU O 1 107 TYR H 1.800 . 2.300 2.235 2.102 2.355 0.055 17 0 "[ . 1 . 2]" 2
26 1 85 GLU O 1 107 TYR N 2.800 2.800 3.300 3.128 2.991 3.249 . 0 0 "[ . 1 . 2]" 2
27 1 91 ILE H 1 101 CYS O 1.800 . 2.300 1.843 1.792 1.887 0.008 2 0 "[ . 1 . 2]" 2
28 1 91 ILE N 1 101 CYS O 2.800 2.800 3.300 2.760 2.719 2.792 0.081 2 0 "[ . 1 . 2]" 2
stop_
save_
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