NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
443409 | 2kel | 16153 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kel 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 3663 _Distance_constraint_stats_list.Viol_count 5584 _Distance_constraint_stats_list.Viol_total 3600.831 _Distance_constraint_stats_list.Viol_max 1.101 _Distance_constraint_stats_list.Viol_rms 0.0349 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0098 _Distance_constraint_stats_list.Viol_average_violations_only 0.0645 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 11 LYS 3.285 0.866 6 1 "[ .+ 1]" 1 12 GLN 1.801 0.866 6 1 "[ .+ 1]" 1 13 LYS 8.178 0.270 4 0 "[ . 1]" 1 14 ALA 4.954 0.147 4 0 "[ . 1]" 1 15 VAL 7.044 0.188 8 0 "[ . 1]" 1 16 PHE 11.273 0.321 6 0 "[ . 1]" 1 17 GLY 0.877 0.092 2 0 "[ . 1]" 1 18 ILE 10.217 0.133 4 0 "[ . 1]" 1 19 TYR 3.391 0.132 3 0 "[ . 1]" 1 20 MET 15.550 0.275 8 0 "[ . 1]" 1 21 ASP 9.416 0.173 4 0 "[ . 1]" 1 22 LYS 8.083 0.205 10 0 "[ . 1]" 1 23 ASP 4.878 0.152 9 0 "[ . 1]" 1 24 LEU 17.629 0.392 8 0 "[ . 1]" 1 25 LYS 16.948 0.392 8 0 "[ . 1]" 1 26 THR 7.083 0.261 10 0 "[ . 1]" 1 27 ARG 9.797 0.261 10 0 "[ . 1]" 1 28 LEU 16.470 0.316 5 0 "[ . 1]" 1 29 LYS 5.751 0.137 9 0 "[ . 1]" 1 30 VAL 8.077 0.151 3 0 "[ . 1]" 1 31 TYR 14.780 0.197 1 0 "[ . 1]" 1 32 CYS 8.160 0.121 5 0 "[ . 1]" 1 33 ALA 1.976 0.136 8 0 "[ . 1]" 1 34 LYS 10.278 0.388 10 0 "[ . 1]" 1 35 ASN 7.318 0.388 10 0 "[ . 1]" 1 36 ASN 10.057 1.101 5 3 "[-* + 1]" 1 37 LEU 12.095 0.388 10 0 "[ . 1]" 1 38 GLN 3.248 0.116 6 0 "[ . 1]" 1 39 LEU 8.817 0.172 8 0 "[ . 1]" 1 40 THR 5.315 0.152 2 0 "[ . 1]" 1 41 GLN 4.698 0.261 10 0 "[ . 1]" 1 42 ALA 5.979 0.183 1 0 "[ . 1]" 1 43 ILE 16.197 0.272 5 0 "[ . 1]" 1 44 GLU 13.843 0.238 1 0 "[ . 1]" 1 45 GLU 4.537 0.172 8 0 "[ . 1]" 1 46 ALA 9.762 0.261 10 0 "[ . 1]" 1 47 ILE 22.770 0.302 1 0 "[ . 1]" 1 48 LYS 12.234 0.301 1 0 "[ . 1]" 1 49 GLU 9.514 0.391 9 0 "[ . 1]" 1 50 TYR 26.158 0.302 1 0 "[ . 1]" 1 51 LEU 14.114 0.272 5 0 "[ . 1]" 1 52 GLN 7.023 0.217 3 0 "[ . 1]" 1 53 LYS 14.213 0.302 1 0 "[ . 1]" 1 54 ARG 16.602 0.298 7 0 "[ . 1]" 1 55 ASN 10.209 0.298 7 0 "[ . 1]" 1 56 GLY 3.732 0.151 3 0 "[ . 1]" 2 11 LYS 3.276 0.872 6 1 "[ .+ 1]" 2 12 GLN 1.795 0.872 6 1 "[ .+ 1]" 2 13 LYS 8.261 0.269 4 0 "[ . 1]" 2 14 ALA 4.974 0.147 4 0 "[ . 1]" 2 15 VAL 7.047 0.190 8 0 "[ . 1]" 2 16 PHE 11.163 0.316 5 0 "[ . 1]" 2 17 GLY 0.916 0.094 2 0 "[ . 1]" 2 18 ILE 10.246 0.133 4 0 "[ . 1]" 2 19 TYR 3.475 0.135 3 0 "[ . 1]" 2 20 MET 15.480 0.282 8 0 "[ . 1]" 2 21 ASP 9.377 0.176 4 0 "[ . 1]" 2 22 LYS 8.023 0.207 10 0 "[ . 1]" 2 23 ASP 4.908 0.153 9 0 "[ . 1]" 2 24 LEU 17.566 0.390 8 0 "[ . 1]" 2 25 LYS 16.865 0.390 8 0 "[ . 1]" 2 26 THR 7.090 0.261 3 0 "[ . 1]" 2 27 ARG 9.752 0.261 3 0 "[ . 1]" 2 28 LEU 16.378 0.321 6 0 "[ . 1]" 2 29 LYS 5.778 0.136 4 0 "[ . 1]" 2 30 VAL 8.037 0.153 3 0 "[ . 1]" 2 31 TYR 14.714 0.195 1 0 "[ . 1]" 2 32 CYS 8.161 0.120 1 0 "[ . 1]" 2 33 ALA 1.995 0.135 8 0 "[ . 1]" 2 34 LYS 10.298 0.387 10 0 "[ . 1]" 2 35 ASN 7.389 0.387 10 0 "[ . 1]" 2 36 ASN 10.127 1.096 5 3 "[-* + 1]" 2 37 LEU 12.137 0.387 10 0 "[ . 1]" 2 38 GLN 3.264 0.121 6 0 "[ . 1]" 2 39 LEU 8.772 0.173 8 0 "[ . 1]" 2 40 THR 5.371 0.154 2 0 "[ . 1]" 2 41 GLN 4.603 0.267 10 0 "[ . 1]" 2 42 ALA 5.917 0.179 1 0 "[ . 1]" 2 43 ILE 16.327 0.280 5 0 "[ . 1]" 2 44 GLU 13.873 0.238 1 0 "[ . 1]" 2 45 GLU 4.621 0.173 8 0 "[ . 1]" 2 46 ALA 9.681 0.267 10 0 "[ . 1]" 2 47 ILE 22.807 0.301 1 0 "[ . 1]" 2 48 LYS 12.343 0.302 1 0 "[ . 1]" 2 49 GLU 9.551 0.386 9 0 "[ . 1]" 2 50 TYR 26.258 0.301 1 0 "[ . 1]" 2 51 LEU 14.272 0.280 5 0 "[ . 1]" 2 52 GLN 7.040 0.224 3 0 "[ . 1]" 2 53 LYS 14.200 0.302 1 0 "[ . 1]" 2 54 ARG 16.696 0.301 7 0 "[ . 1]" 2 55 ASN 10.268 0.301 7 0 "[ . 1]" 2 56 GLY 3.738 0.153 3 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 40 THR H 1 40 THR HB 2.680 2.363 2.997 2.687 2.651 2.756 . 0 0 "[ . 1]" 1 2 2 40 THR H 2 40 THR HB 2.680 2.363 2.997 2.690 2.651 2.754 . 0 0 "[ . 1]" 1 3 1 26 THR HA 1 30 VAL H 3.532 . 6.000 4.069 3.999 4.192 . 0 0 "[ . 1]" 1 4 2 26 THR HA 2 30 VAL H 3.532 . 6.000 4.069 4.004 4.191 . 0 0 "[ . 1]" 1 5 1 40 THR HA 2 18 ILE MD . . 3.055 2.229 2.183 2.261 . 0 0 "[ . 1]" 1 6 1 18 ILE MD 2 40 THR HA . . 3.055 2.232 2.190 2.257 . 0 0 "[ . 1]" 1 7 1 32 CYS H 1 32 CYS HA 2.854 2.479 3.229 2.860 2.839 2.872 . 0 0 "[ . 1]" 1 8 2 32 CYS H 2 32 CYS HA 2.854 2.479 3.229 2.860 2.842 2.870 . 0 0 "[ . 1]" 1 9 1 32 CYS HA 1 32 CYS HB2 2.916 2.597 3.235 3.020 3.016 3.023 . 0 0 "[ . 1]" 1 10 2 32 CYS HA 2 32 CYS HB2 2.916 2.597 3.235 3.019 3.016 3.021 . 0 0 "[ . 1]" 1 11 1 32 CYS HA 1 37 LEU MD2 2.592 . 6.000 3.739 3.605 3.825 . 0 0 "[ . 1]" 1 12 2 32 CYS HA 2 37 LEU MD2 2.592 . 6.000 3.737 3.611 3.821 . 0 0 "[ . 1]" 1 13 1 43 ILE HA 1 43 ILE MG 1.973 . 6.000 2.747 2.739 2.754 . 0 0 "[ . 1]" 1 14 2 43 ILE HA 2 43 ILE MG 1.973 . 6.000 2.747 2.743 2.753 . 0 0 "[ . 1]" 1 15 1 31 TYR HA 1 31 TYR QD 2.444 2.129 2.759 2.675 2.457 2.797 0.038 5 0 "[ . 1]" 1 16 2 31 TYR HA 2 31 TYR QD 2.444 2.129 2.759 2.673 2.460 2.797 0.038 5 0 "[ . 1]" 1 17 1 31 TYR HA 1 31 TYR HB2 2.320 2.058 2.582 2.432 2.410 2.457 . 0 0 "[ . 1]" 1 18 2 31 TYR HA 2 31 TYR HB2 2.320 2.058 2.582 2.432 2.412 2.454 . 0 0 "[ . 1]" 1 19 1 31 TYR HA 1 34 LYS QB 2.934 2.564 3.304 2.681 2.547 2.852 0.017 10 0 "[ . 1]" 1 20 2 31 TYR HA 2 34 LYS QB 2.934 2.564 3.304 2.681 2.550 2.853 0.014 10 0 "[ . 1]" 1 21 1 15 VAL H 1 15 VAL HA 3.000 2.615 3.385 2.948 2.944 2.952 . 0 0 "[ . 1]" 1 22 2 15 VAL H 2 15 VAL HA 3.000 2.615 3.385 2.949 2.943 2.956 . 0 0 "[ . 1]" 1 23 1 15 VAL HA 2 19 TYR QD . 2.559 3.327 2.733 2.618 2.842 . 0 0 "[ . 1]" 1 24 1 19 TYR QD 2 15 VAL HA . 2.559 3.327 2.731 2.610 2.840 . 0 0 "[ . 1]" 1 25 1 48 LYS HA 1 48 LYS QG 2.939 2.606 3.272 2.876 2.663 3.176 . 0 0 "[ . 1]" 1 26 2 48 LYS HA 2 48 LYS QG 2.939 2.606 3.272 2.876 2.663 3.175 . 0 0 "[ . 1]" 1 27 1 44 GLU HA 1 44 GLU HG2 2.417 2.082 2.752 2.525 2.460 2.567 . 0 0 "[ . 1]" 1 28 2 44 GLU HA 2 44 GLU HG2 2.417 2.082 2.752 2.526 2.459 2.571 . 0 0 "[ . 1]" 1 29 1 29 LYS HA 1 32 CYS HB2 3.300 2.720 3.880 2.709 2.688 2.749 0.032 6 0 "[ . 1]" 1 30 2 29 LYS HA 2 32 CYS HB2 3.300 2.720 3.880 2.709 2.687 2.749 0.033 7 0 "[ . 1]" 1 31 1 29 LYS HA 1 29 LYS QB 2.196 . 2.432 2.336 2.306 2.361 . 0 0 "[ . 1]" 1 32 2 29 LYS HA 2 29 LYS QB 2.196 . 2.432 2.337 2.306 2.358 . 0 0 "[ . 1]" 1 33 1 22 LYS HA 1 25 LYS QB 2.357 . 6.000 2.955 2.854 3.124 . 0 0 "[ . 1]" 1 34 2 22 LYS HA 2 25 LYS QB 2.357 . 6.000 2.953 2.854 3.124 . 0 0 "[ . 1]" 1 35 1 20 MET ME 1 25 LYS HA 2.115 . 2.389 2.451 2.399 2.664 0.275 8 0 "[ . 1]" 1 36 2 20 MET ME 2 25 LYS HA 2.115 . 2.389 2.453 2.395 2.671 0.282 8 0 "[ . 1]" 1 37 1 29 LYS HA 1 29 LYS QG 2.611 2.287 2.935 2.498 2.453 2.558 . 0 0 "[ . 1]" 1 38 2 29 LYS HA 2 29 LYS QG 2.611 2.287 2.935 2.496 2.450 2.551 . 0 0 "[ . 1]" 1 39 1 45 GLU HA 1 48 LYS HB2 3.160 2.857 3.463 3.365 3.245 3.474 0.011 10 0 "[ . 1]" 1 40 2 45 GLU HA 2 48 LYS HB2 3.160 2.857 3.463 3.367 3.251 3.478 0.015 10 0 "[ . 1]" 1 41 1 18 ILE HA 1 19 TYR H 2.443 2.175 2.711 2.422 2.358 2.483 . 0 0 "[ . 1]" 1 42 2 18 ILE HA 2 19 TYR H 2.443 2.175 2.711 2.421 2.367 2.481 . 0 0 "[ . 1]" 1 43 1 27 ARG HA 1 27 ARG HB3 2.555 . 6.000 3.004 2.986 3.016 . 0 0 "[ . 1]" 1 44 2 27 ARG HA 2 27 ARG HB3 2.555 . 6.000 3.003 2.983 3.015 . 0 0 "[ . 1]" 1 45 1 27 ARG HA 1 27 ARG HG3 2.621 . 6.000 3.346 3.272 3.449 . 0 0 "[ . 1]" 1 46 2 27 ARG HA 2 27 ARG HG3 2.621 . 6.000 3.347 3.273 3.454 . 0 0 "[ . 1]" 1 47 1 16 PHE QR 1 18 ILE HA 4.203 3.626 4.780 4.865 4.831 4.903 0.123 8 0 "[ . 1]" 1 48 2 16 PHE QR 2 18 ILE HA 4.203 3.626 4.780 4.864 4.831 4.903 0.123 10 0 "[ . 1]" 1 49 1 41 GLN H 1 41 GLN HA 2.764 2.424 3.104 2.772 2.759 2.786 . 0 0 "[ . 1]" 1 50 2 41 GLN H 2 41 GLN HA 2.764 2.424 3.104 2.772 2.761 2.782 . 0 0 "[ . 1]" 1 51 1 52 GLN HA 1 52 GLN HG2 3.722 3.404 4.040 3.592 3.554 3.626 . 0 0 "[ . 1]" 1 52 2 52 GLN HA 2 52 GLN HG2 3.722 3.404 4.040 3.592 3.555 3.623 . 0 0 "[ . 1]" 1 53 1 39 LEU HA 1 39 LEU HB2 2.477 2.196 2.758 2.810 2.785 2.829 0.071 8 0 "[ . 1]" 1 54 2 39 LEU HA 2 39 LEU HB2 2.477 2.196 2.758 2.810 2.783 2.828 0.070 8 0 "[ . 1]" 1 55 1 18 ILE HA 1 18 ILE HG12 3.429 3.017 3.841 3.760 3.748 3.787 . 0 0 "[ . 1]" 1 56 2 18 ILE HA 2 18 ILE HG12 3.429 3.017 3.841 3.760 3.747 3.782 . 0 0 "[ . 1]" 1 57 1 18 ILE HA 1 18 ILE MG 1.725 . 6.000 2.295 2.276 2.315 . 0 0 "[ . 1]" 1 58 2 18 ILE HA 2 18 ILE MG 1.725 . 6.000 2.295 2.277 2.314 . 0 0 "[ . 1]" 1 59 1 34 LYS H 1 34 LYS HA 2.698 2.397 2.999 2.833 2.818 2.854 . 0 0 "[ . 1]" 1 60 2 34 LYS H 2 34 LYS HA 2.698 2.397 2.999 2.832 2.817 2.853 . 0 0 "[ . 1]" 1 61 1 53 LYS H 1 53 LYS HA 2.639 2.351 2.927 2.858 2.844 2.878 . 0 0 "[ . 1]" 1 62 2 53 LYS H 2 53 LYS HA 2.639 2.351 2.927 2.859 2.846 2.877 . 0 0 "[ . 1]" 1 63 1 34 LYS HA 1 35 ASN H 3.699 3.202 4.196 3.527 3.515 3.536 . 0 0 "[ . 1]" 1 64 2 34 LYS HA 2 35 ASN H 3.699 3.202 4.196 3.526 3.513 3.532 . 0 0 "[ . 1]" 1 65 1 53 LYS HA 1 54 ARG H 3.164 2.775 3.553 3.370 3.348 3.392 . 0 0 "[ . 1]" 1 66 2 53 LYS HA 2 54 ARG H 3.164 2.775 3.553 3.371 3.352 3.394 . 0 0 "[ . 1]" 1 67 1 34 LYS HA 1 34 LYS QB 2.207 2.009 2.405 2.361 2.349 2.377 . 0 0 "[ . 1]" 1 68 2 34 LYS HA 2 34 LYS QB 2.207 2.009 2.405 2.360 2.349 2.375 . 0 0 "[ . 1]" 1 69 1 24 LEU HA 2 48 LYS QE 3.816 3.206 4.426 3.711 3.359 4.117 . 0 0 "[ . 1]" 1 70 1 48 LYS QE 2 24 LEU HA 3.816 3.206 4.426 3.709 3.366 4.108 . 0 0 "[ . 1]" 1 71 1 23 ASP H 1 23 ASP HA 2.817 2.469 3.165 2.735 2.721 2.756 . 0 0 "[ . 1]" 1 72 2 23 ASP H 2 23 ASP HA 2.817 2.469 3.165 2.734 2.721 2.756 . 0 0 "[ . 1]" 1 73 1 50 TYR QD 1 51 LEU HA 5.217 3.807 6.627 3.821 3.773 3.884 0.034 3 0 "[ . 1]" 1 74 2 50 TYR QD 2 51 LEU HA 5.217 3.807 6.627 3.821 3.771 3.883 0.036 3 0 "[ . 1]" 1 75 1 23 ASP HA 1 23 ASP HB3 2.727 2.488 2.966 3.016 2.996 3.020 0.054 10 0 "[ . 1]" 1 76 2 23 ASP HA 2 23 ASP HB3 2.727 2.488 2.966 3.016 3.000 3.021 0.055 3 0 "[ . 1]" 1 77 1 24 LEU HA 1 24 LEU QD 1.678 . 6.000 2.389 2.152 2.886 . 0 0 "[ . 1]" 1 78 2 24 LEU HA 2 24 LEU QD 1.678 . 6.000 2.390 2.148 2.890 . 0 0 "[ . 1]" 1 79 1 54 ARG H 1 54 ARG HA 2.977 2.620 3.334 2.921 2.912 2.928 . 0 0 "[ . 1]" 1 80 2 54 ARG H 2 54 ARG HA 2.977 2.620 3.334 2.921 2.909 2.928 . 0 0 "[ . 1]" 1 81 1 21 ASP HA 1 21 ASP HB2 2.732 2.472 2.992 2.991 2.979 3.013 0.021 10 0 "[ . 1]" 1 82 2 21 ASP HA 2 21 ASP HB2 2.732 2.472 2.992 2.992 2.980 3.010 0.018 10 0 "[ . 1]" 1 83 1 54 ARG HA 1 54 ARG HB2 2.874 2.495 3.253 2.678 2.646 2.716 . 0 0 "[ . 1]" 1 84 2 54 ARG HA 2 54 ARG HB2 2.874 2.495 3.253 2.677 2.648 2.708 . 0 0 "[ . 1]" 1 85 1 54 ARG HA 1 54 ARG HG2 3.481 3.164 3.798 3.622 3.603 3.646 . 0 0 "[ . 1]" 1 86 2 54 ARG HA 2 54 ARG HG2 3.481 3.164 3.798 3.622 3.597 3.649 . 0 0 "[ . 1]" 1 87 1 54 ARG HA 1 54 ARG HB3 3.210 2.814 3.606 2.968 2.946 2.989 . 0 0 "[ . 1]" 1 88 2 54 ARG HA 2 54 ARG HB3 3.210 2.814 3.606 2.968 2.947 2.991 . 0 0 "[ . 1]" 1 89 1 46 ALA H 1 46 ALA HA 2.894 2.522 3.266 2.808 2.798 2.820 . 0 0 "[ . 1]" 1 90 2 46 ALA H 2 46 ALA HA 2.894 2.522 3.266 2.808 2.797 2.818 . 0 0 "[ . 1]" 1 91 1 46 ALA HA 2 50 TYR QD 2.270 . 2.454 2.351 2.258 2.455 0.001 1 0 "[ . 1]" 1 92 1 50 TYR QD 2 46 ALA HA 2.270 . 2.454 2.349 2.248 2.456 0.002 1 0 "[ . 1]" 1 93 1 42 ALA HA 1 45 GLU QB 2.765 2.423 3.107 2.625 2.500 2.833 . 0 0 "[ . 1]" 1 94 2 42 ALA HA 2 45 GLU QB 2.765 2.423 3.107 2.625 2.497 2.831 . 0 0 "[ . 1]" 1 95 1 13 LYS HA 1 13 LYS QG 3.633 3.226 4.040 3.354 3.336 3.452 . 0 0 "[ . 1]" 1 96 2 13 LYS HA 2 13 LYS QG 3.633 3.226 4.040 3.353 3.334 3.450 . 0 0 "[ . 1]" 1 97 1 14 ALA HA 1 15 VAL HB 4.347 . 6.000 5.122 5.066 5.177 . 0 0 "[ . 1]" 1 98 2 14 ALA HA 2 15 VAL HB 4.347 . 6.000 5.122 5.068 5.180 . 0 0 "[ . 1]" 1 99 1 14 ALA HA 1 14 ALA MB 1.769 . 2.031 2.129 2.121 2.132 0.101 3 0 "[ . 1]" 1 100 2 14 ALA HA 2 14 ALA MB 1.769 . 2.031 2.129 2.120 2.134 0.103 5 0 "[ . 1]" 1 101 1 37 LEU HB2 1 38 GLN H 4.454 3.884 5.024 3.960 3.944 3.978 . 0 0 "[ . 1]" 1 102 2 37 LEU HB2 2 38 GLN H 4.454 3.884 5.024 3.960 3.944 3.980 . 0 0 "[ . 1]" 1 103 1 37 LEU HA 1 37 LEU HB2 3.256 2.800 3.712 2.895 2.881 2.915 . 0 0 "[ . 1]" 1 104 2 37 LEU HA 2 37 LEU HB2 3.256 2.800 3.712 2.895 2.882 2.913 . 0 0 "[ . 1]" 1 105 1 32 CYS HA 1 37 LEU HB3 3.108 2.728 3.488 2.941 2.811 3.054 . 0 0 "[ . 1]" 1 106 2 32 CYS HA 2 37 LEU HB3 3.108 2.728 3.488 2.940 2.807 3.057 . 0 0 "[ . 1]" 1 107 1 37 LEU HB2 1 37 LEU MD1 1.882 . 6.000 2.417 2.390 2.466 . 0 0 "[ . 1]" 1 108 2 37 LEU HB2 2 37 LEU MD1 1.882 . 6.000 2.415 2.393 2.461 . 0 0 "[ . 1]" 1 109 1 37 LEU HB3 1 37 LEU MD1 2.500 . 6.000 3.199 3.195 3.204 . 0 0 "[ . 1]" 1 110 2 37 LEU HB3 2 37 LEU MD1 2.500 . 6.000 3.198 3.195 3.204 . 0 0 "[ . 1]" 1 111 1 56 GLY H 1 56 GLY HA3 2.746 2.444 3.048 2.904 2.847 2.945 . 0 0 "[ . 1]" 1 112 2 56 GLY H 2 56 GLY HA3 2.746 2.444 3.048 2.905 2.850 2.946 . 0 0 "[ . 1]" 1 113 1 56 GLY HA3 2 31 TYR QD 4.119 . 6.000 4.930 4.668 5.352 . 0 0 "[ . 1]" 1 114 1 31 TYR QD 2 56 GLY HA3 4.119 . 6.000 4.934 4.678 5.314 . 0 0 "[ . 1]" 1 115 1 51 LEU MD1 1 56 GLY HA3 2.374 . 6.000 3.444 3.187 3.668 . 0 0 "[ . 1]" 1 116 2 51 LEU MD1 2 56 GLY HA3 2.374 . 6.000 3.444 3.179 3.667 . 0 0 "[ . 1]" 1 117 1 17 GLY HA2 1 18 ILE H 2.326 2.071 2.581 2.214 2.201 2.232 . 0 0 "[ . 1]" 1 118 2 17 GLY HA2 2 18 ILE H 2.326 2.071 2.581 2.213 2.198 2.244 . 0 0 "[ . 1]" 1 119 1 56 GLY HA2 2 31 TYR QD 2.824 . 6.000 3.468 3.305 3.790 . 0 0 "[ . 1]" 1 120 1 31 TYR QD 2 56 GLY HA2 2.824 . 6.000 3.471 3.323 3.747 . 0 0 "[ . 1]" 1 121 1 39 LEU HA 1 39 LEU HB3 2.715 2.377 3.053 2.874 2.847 2.903 . 0 0 "[ . 1]" 1 122 2 39 LEU HA 2 39 LEU HB3 2.715 2.377 3.053 2.874 2.845 2.899 . 0 0 "[ . 1]" 1 123 1 28 LEU HB2 1 29 LYS H 3.965 3.482 4.448 3.856 3.826 3.876 . 0 0 "[ . 1]" 1 124 2 28 LEU HB2 2 29 LYS H 3.965 3.482 4.448 3.855 3.832 3.870 . 0 0 "[ . 1]" 1 125 1 24 LEU HA 1 24 LEU HB2 2.589 2.233 2.945 2.347 2.293 2.378 . 0 0 "[ . 1]" 1 126 2 24 LEU HA 2 24 LEU HB2 2.589 2.233 2.945 2.348 2.294 2.378 . 0 0 "[ . 1]" 1 127 1 24 LEU HA 1 24 LEU HB3 3.048 2.687 3.409 2.988 2.965 3.001 . 0 0 "[ . 1]" 1 128 2 24 LEU HA 2 24 LEU HB3 3.048 2.687 3.409 2.989 2.965 3.001 . 0 0 "[ . 1]" 1 129 1 24 LEU HB3 1 24 LEU QD 1.713 . 2.007 2.068 2.020 2.098 0.091 5 0 "[ . 1]" 1 130 2 24 LEU HB3 2 24 LEU QD 1.713 . 2.007 2.068 2.020 2.095 0.088 5 0 "[ . 1]" 1 131 1 28 LEU HB2 1 28 LEU MD1 2.115 . 6.000 3.134 3.130 3.138 . 0 0 "[ . 1]" 1 132 2 28 LEU HB2 2 28 LEU MD1 2.115 . 6.000 3.132 3.127 3.138 . 0 0 "[ . 1]" 1 133 1 51 LEU HB2 1 51 LEU MD2 1.769 . 2.098 2.147 2.137 2.156 0.058 9 0 "[ . 1]" 1 134 2 51 LEU HB2 2 51 LEU MD2 1.769 . 2.098 2.147 2.135 2.155 0.057 9 0 "[ . 1]" 1 135 1 51 LEU HB2 1 51 LEU MD1 3.023 2.474 3.572 3.077 3.060 3.093 . 0 0 "[ . 1]" 1 136 2 51 LEU HB2 2 51 LEU MD1 3.023 2.474 3.572 3.076 3.058 3.098 . 0 0 "[ . 1]" 1 137 1 54 ARG HD2 2 31 TYR QE 5.027 4.418 5.636 5.161 5.011 5.429 . 0 0 "[ . 1]" 1 138 1 31 TYR QE 2 54 ARG HD2 5.027 4.418 5.636 5.159 5.009 5.442 . 0 0 "[ . 1]" 1 139 1 18 ILE HB 1 19 TYR H 2.210 . 2.506 2.276 2.126 2.430 . 0 0 "[ . 1]" 1 140 2 18 ILE HB 2 19 TYR H 2.210 . 2.506 2.275 2.135 2.428 . 0 0 "[ . 1]" 1 141 1 23 ASP HB2 1 24 LEU H 4.081 3.648 4.514 3.984 3.911 4.103 . 0 0 "[ . 1]" 1 142 2 23 ASP HB2 2 24 LEU H 4.081 3.648 4.514 3.985 3.905 4.104 . 0 0 "[ . 1]" 1 143 1 23 ASP HA 1 23 ASP HB2 2.660 2.338 2.982 2.410 2.336 2.437 0.002 5 0 "[ . 1]" 1 144 2 23 ASP HA 2 23 ASP HB2 2.660 2.338 2.982 2.411 2.342 2.440 . 0 0 "[ . 1]" 1 145 1 18 ILE HA 1 18 ILE HB 2.513 2.194 2.832 2.466 2.445 2.482 . 0 0 "[ . 1]" 1 146 2 18 ILE HA 2 18 ILE HB 2.513 2.194 2.832 2.467 2.447 2.484 . 0 0 "[ . 1]" 1 147 1 50 TYR QB 2 46 ALA HA . 2.109 2.709 2.124 2.092 2.161 0.017 2 0 "[ . 1]" 1 148 1 46 ALA HA 2 50 TYR QB . 2.109 2.709 2.126 2.095 2.160 0.014 2 0 "[ . 1]" 1 149 1 19 TYR HB3 2 13 LYS QD 2.674 2.389 2.959 2.713 2.359 2.982 0.030 7 0 "[ . 1]" 1 150 1 13 LYS QD 2 19 TYR HB3 2.674 2.389 2.959 2.715 2.364 2.977 0.025 7 0 "[ . 1]" 1 151 1 50 TYR QB 2 46 ALA MB 1.943 . 2.226 2.096 2.047 2.125 . 0 0 "[ . 1]" 1 152 1 46 ALA MB 2 50 TYR QB 1.943 . 2.226 2.099 2.062 2.132 . 0 0 "[ . 1]" 1 153 1 19 TYR HB2 2 13 LYS QD 3.953 3.517 4.389 3.838 3.496 4.207 0.021 7 0 "[ . 1]" 1 154 1 13 LYS QD 2 19 TYR HB2 3.953 3.517 4.389 3.841 3.506 4.209 0.011 7 0 "[ . 1]" 1 155 1 20 MET H 1 20 MET HB3 3.717 . 6.000 2.960 2.728 3.063 . 0 0 "[ . 1]" 1 156 2 20 MET H 2 20 MET HB3 3.717 . 6.000 2.958 2.732 3.061 . 0 0 "[ . 1]" 1 157 1 55 ASN HB2 1 56 GLY H 5.541 . 6.000 3.047 2.909 3.182 . 0 0 "[ . 1]" 1 158 2 55 ASN HB2 2 56 GLY H 5.541 . 6.000 3.045 2.893 3.178 . 0 0 "[ . 1]" 1 159 1 20 MET HA 1 20 MET HB3 2.906 2.496 3.316 2.472 2.454 2.586 0.042 10 0 "[ . 1]" 1 160 2 20 MET HA 2 20 MET HB3 2.906 2.496 3.316 2.472 2.453 2.585 0.043 10 0 "[ . 1]" 1 161 1 55 ASN HA 1 55 ASN HB2 2.784 2.507 3.061 2.596 2.581 2.619 . 0 0 "[ . 1]" 1 162 2 55 ASN HA 2 55 ASN HB2 2.784 2.507 3.061 2.596 2.582 2.619 . 0 0 "[ . 1]" 1 163 1 45 GLU H 1 45 GLU HG3 4.509 . 6.000 3.627 3.467 3.729 . 0 0 "[ . 1]" 1 164 2 45 GLU H 2 45 GLU HG3 4.509 . 6.000 3.626 3.468 3.713 . 0 0 "[ . 1]" 1 165 1 45 GLU HG2 2 50 TYR QE 5.065 4.429 5.701 5.209 5.106 5.343 . 0 0 "[ . 1]" 1 166 1 50 TYR QE 2 45 GLU HG2 5.065 4.429 5.701 5.205 5.090 5.335 . 0 0 "[ . 1]" 1 167 1 45 GLU HG3 2 50 TYR QE 4.628 3.972 5.284 4.464 4.341 4.655 . 0 0 "[ . 1]" 1 168 1 50 TYR QE 2 45 GLU HG3 4.628 3.972 5.284 4.461 4.333 4.663 . 0 0 "[ . 1]" 1 169 1 45 GLU HA 1 45 GLU HG3 3.678 3.302 4.054 3.745 3.681 3.766 . 0 0 "[ . 1]" 1 170 2 45 GLU HA 2 45 GLU HG3 3.678 3.302 4.054 3.745 3.679 3.772 . 0 0 "[ . 1]" 1 171 1 45 GLU QB 1 45 GLU HG2 2.609 2.337 2.881 2.380 2.332 2.445 0.005 9 0 "[ . 1]" 1 172 2 45 GLU QB 2 45 GLU HG2 2.609 2.337 2.881 2.379 2.329 2.444 0.008 3 0 "[ . 1]" 1 173 1 13 LYS QB 1 13 LYS QD 2.561 . 6.000 2.120 2.093 2.176 . 0 0 "[ . 1]" 1 174 2 13 LYS QB 2 13 LYS QD 2.561 . 6.000 2.118 2.087 2.167 . 0 0 "[ . 1]" 1 175 1 38 GLN H 1 38 GLN HG2 3.460 3.150 3.770 3.689 3.635 3.733 . 0 0 "[ . 1]" 1 176 2 38 GLN H 2 38 GLN HG2 3.460 3.150 3.770 3.691 3.627 3.737 . 0 0 "[ . 1]" 1 177 1 31 TYR QD 1 34 LYS QB 2.992 . 6.000 4.105 3.755 4.400 . 0 0 "[ . 1]" 1 178 2 31 TYR QD 2 34 LYS QB 2.992 . 6.000 4.104 3.755 4.395 . 0 0 "[ . 1]" 1 179 1 22 LYS H 1 22 LYS QB 2.313 2.053 2.573 2.240 2.206 2.259 . 0 0 "[ . 1]" 1 180 2 22 LYS H 2 22 LYS QB 2.313 2.053 2.573 2.239 2.203 2.260 . 0 0 "[ . 1]" 1 181 1 11 LYS H 1 11 LYS QB 2.860 2.562 3.158 2.785 2.250 3.455 0.312 4 0 "[ . 1]" 1 182 2 11 LYS H 2 11 LYS QB 2.860 2.562 3.158 2.788 2.264 3.454 0.298 4 0 "[ . 1]" 1 183 1 53 LYS HA 1 53 LYS HB2 2.351 2.093 2.609 2.500 2.459 2.537 . 0 0 "[ . 1]" 1 184 2 53 LYS HA 2 53 LYS HB2 2.351 2.093 2.609 2.500 2.459 2.535 . 0 0 "[ . 1]" 1 185 1 48 LYS HB3 2 24 LEU QD 2.573 . 6.000 3.518 3.138 3.730 . 0 0 "[ . 1]" 1 186 1 24 LEU QD 2 48 LYS HB3 2.573 . 6.000 3.521 3.151 3.732 . 0 0 "[ . 1]" 1 187 1 29 LYS H 1 29 LYS QB 2.294 2.036 2.552 2.239 2.225 2.246 . 0 0 "[ . 1]" 1 188 2 29 LYS H 2 29 LYS QB 2.294 2.036 2.552 2.240 2.229 2.248 . 0 0 "[ . 1]" 1 189 1 30 VAL H 1 30 VAL HB 2.300 2.026 2.574 2.472 2.426 2.520 . 0 0 "[ . 1]" 1 190 2 30 VAL H 2 30 VAL HB 2.300 2.026 2.574 2.473 2.429 2.527 . 0 0 "[ . 1]" 1 191 1 25 LYS H 1 25 LYS QB 2.291 . 2.615 2.197 2.155 2.210 . 0 0 "[ . 1]" 1 192 2 25 LYS H 2 25 LYS QB 2.291 . 2.615 2.197 2.152 2.219 . 0 0 "[ . 1]" 1 193 1 46 ALA HA 1 48 LYS HB3 2.763 . 6.000 5.199 5.107 5.255 . 0 0 "[ . 1]" 1 194 2 46 ALA HA 2 48 LYS HB3 2.763 . 6.000 5.199 5.112 5.255 . 0 0 "[ . 1]" 1 195 1 20 MET ME 1 20 MET HG2 2.801 . 6.000 3.302 2.318 3.415 . 0 0 "[ . 1]" 1 196 2 20 MET ME 2 20 MET HG2 2.801 . 6.000 3.301 2.308 3.416 . 0 0 "[ . 1]" 1 197 1 27 ARG HB2 2 51 LEU MD2 3.583 3.043 4.123 4.168 4.146 4.222 0.099 1 0 "[ . 1]" 1 198 1 51 LEU MD2 2 27 ARG HB2 3.583 3.043 4.123 4.167 4.142 4.221 0.098 1 0 "[ . 1]" 1 199 1 45 GLU H 1 45 GLU QB 2.748 . 6.000 2.388 2.247 2.470 . 0 0 "[ . 1]" 1 200 2 45 GLU H 2 45 GLU QB 2.748 . 6.000 2.387 2.250 2.471 . 0 0 "[ . 1]" 1 201 1 49 GLU QB 2 50 TYR QD 2.313 . 2.669 2.694 2.494 2.798 0.129 1 0 "[ . 1]" 1 202 1 50 TYR QD 2 49 GLU QB 2.313 . 2.669 2.694 2.498 2.792 0.123 8 0 "[ . 1]" 1 203 1 25 LYS HD3 1 25 LYS HE3 2.415 2.090 2.740 2.485 2.461 2.520 . 0 0 "[ . 1]" 1 204 2 25 LYS HD3 2 25 LYS HE3 2.415 2.090 2.740 2.487 2.463 2.522 . 0 0 "[ . 1]" 1 205 1 25 LYS QB 1 25 LYS HD3 2.123 . 2.376 2.233 2.223 2.245 . 0 0 "[ . 1]" 1 206 2 25 LYS QB 2 25 LYS HD3 2.123 . 2.376 2.231 2.220 2.239 . 0 0 "[ . 1]" 1 207 1 25 LYS HD3 1 25 LYS HG3 2.484 2.167 2.801 2.627 2.616 2.636 . 0 0 "[ . 1]" 1 208 2 25 LYS HD3 2 25 LYS HG3 2.484 2.167 2.801 2.628 2.612 2.638 . 0 0 "[ . 1]" 1 209 1 45 GLU QB 1 46 ALA H 2.425 . 6.000 2.644 2.536 2.775 . 0 0 "[ . 1]" 1 210 2 45 GLU QB 2 46 ALA H 2.425 . 6.000 2.642 2.532 2.772 . 0 0 "[ . 1]" 1 211 1 47 ILE HA 1 47 ILE HG13 3.852 . 6.000 2.433 2.377 2.489 . 0 0 "[ . 1]" 1 212 2 47 ILE HA 2 47 ILE HG13 3.852 . 6.000 2.432 2.378 2.491 . 0 0 "[ . 1]" 1 213 1 47 ILE HB 1 47 ILE HG13 2.679 2.257 3.101 2.470 2.392 2.512 . 0 0 "[ . 1]" 1 214 2 47 ILE HB 2 47 ILE HG13 2.679 2.257 3.101 2.469 2.392 2.512 . 0 0 "[ . 1]" 1 215 1 47 ILE MD 1 47 ILE HG13 1.801 . 2.122 2.112 2.110 2.115 . 0 0 "[ . 1]" 1 216 2 47 ILE MD 2 47 ILE HG13 1.801 . 2.122 2.112 2.109 2.117 . 0 0 "[ . 1]" 1 217 1 41 GLN HA 1 41 GLN HB3 2.975 2.665 3.285 3.020 3.016 3.024 . 0 0 "[ . 1]" 1 218 2 41 GLN HA 2 41 GLN HB3 2.975 2.665 3.285 3.020 3.017 3.022 . 0 0 "[ . 1]" 1 219 1 52 GLN HB3 1 53 LYS H 3.247 2.862 3.632 3.506 3.384 3.640 0.008 10 0 "[ . 1]" 1 220 2 52 GLN HB3 2 53 LYS H 3.247 2.862 3.632 3.506 3.378 3.635 0.003 10 0 "[ . 1]" 1 221 1 51 LEU MD2 2 28 LEU H 2.459 . 2.923 2.647 2.560 2.745 . 0 0 "[ . 1]" 1 222 1 28 LEU H 2 51 LEU MD2 2.459 . 2.923 2.649 2.563 2.744 . 0 0 "[ . 1]" 1 223 1 51 LEU MD2 2 28 LEU HA 1.856 . 2.253 2.284 2.261 2.314 0.061 1 0 "[ . 1]" 1 224 1 28 LEU HA 2 51 LEU MD2 1.856 . 2.253 2.285 2.256 2.314 0.061 1 0 "[ . 1]" 1 225 1 25 LYS HA 1 28 LEU MD1 3.337 . 6.000 4.229 4.170 4.288 . 0 0 "[ . 1]" 1 226 2 25 LYS HA 2 28 LEU MD1 3.337 . 6.000 4.226 4.167 4.290 . 0 0 "[ . 1]" 1 227 1 28 LEU MD1 1 31 TYR HB3 3.354 2.416 4.292 3.297 3.201 3.416 . 0 0 "[ . 1]" 1 228 2 28 LEU MD1 2 31 TYR HB3 3.354 2.416 4.292 3.297 3.200 3.420 . 0 0 "[ . 1]" 1 229 1 50 TYR QB 1 51 LEU MD2 2.778 2.252 3.304 3.269 3.126 3.370 0.066 1 0 "[ . 1]" 1 230 2 50 TYR QB 2 51 LEU MD2 2.778 2.252 3.304 3.268 3.131 3.367 0.063 1 0 "[ . 1]" 1 231 1 51 LEU MD2 2 28 LEU HB2 1.503 . 1.746 1.803 1.762 1.850 0.104 9 0 "[ . 1]" 1 232 1 28 LEU HB2 2 51 LEU MD2 1.503 . 1.746 1.806 1.773 1.857 0.111 9 0 "[ . 1]" 1 233 1 48 LYS HB3 1 48 LYS QG 2.434 2.117 2.751 2.147 2.130 2.165 . 0 0 "[ . 1]" 1 234 2 48 LYS HB3 2 48 LYS QG 2.434 2.117 2.751 2.148 2.133 2.164 . 0 0 "[ . 1]" 1 235 1 51 LEU MD2 2 28 LEU HB3 2.894 2.452 3.336 3.306 3.273 3.341 0.005 9 0 "[ . 1]" 1 236 1 28 LEU HB3 2 51 LEU MD2 2.894 2.452 3.336 3.308 3.274 3.349 0.013 9 0 "[ . 1]" 1 237 1 32 CYS HB3 1 33 ALA H 4.890 . 6.000 3.940 3.746 4.070 . 0 0 "[ . 1]" 1 238 2 32 CYS HB3 2 33 ALA H 4.890 . 6.000 3.937 3.747 4.063 . 0 0 "[ . 1]" 1 239 1 16 PHE QR 1 18 ILE HG12 3.322 2.554 4.090 2.894 2.862 2.933 . 0 0 "[ . 1]" 1 240 2 16 PHE QR 2 18 ILE HG12 3.322 2.554 4.090 2.896 2.858 2.940 . 0 0 "[ . 1]" 1 241 1 22 LYS H 1 22 LYS QG 4.349 3.857 4.841 3.941 3.926 3.951 . 0 0 "[ . 1]" 1 242 2 22 LYS H 2 22 LYS QG 4.349 3.857 4.841 3.940 3.926 3.952 . 0 0 "[ . 1]" 1 243 1 39 LEU HA 1 39 LEU MD2 1.756 . 6.000 2.317 2.241 2.397 . 0 0 "[ . 1]" 1 244 2 39 LEU HA 2 39 LEU MD2 1.756 . 6.000 2.316 2.244 2.395 . 0 0 "[ . 1]" 1 245 1 25 LYS HD3 1 25 LYS HG2 2.265 . 6.000 2.979 2.975 2.982 . 0 0 "[ . 1]" 1 246 2 25 LYS HD3 2 25 LYS HG2 2.265 . 6.000 2.978 2.974 2.983 . 0 0 "[ . 1]" 1 247 1 25 LYS HG2 1 39 LEU MD1 2.126 . 6.000 3.097 3.007 3.211 . 0 0 "[ . 1]" 1 248 2 25 LYS HG2 2 39 LEU MD1 2.126 . 6.000 3.096 3.007 3.212 . 0 0 "[ . 1]" 1 249 1 34 LYS H 1 34 LYS HG3 4.865 4.287 5.443 4.459 4.449 4.465 . 0 0 "[ . 1]" 1 250 2 34 LYS H 2 34 LYS HG3 4.865 4.287 5.443 4.458 4.445 4.467 . 0 0 "[ . 1]" 1 251 1 11 LYS HA 1 11 LYS QG 2.928 . 6.000 2.877 2.353 3.361 . 0 0 "[ . 1]" 1 252 2 11 LYS HA 2 11 LYS QG 2.928 . 6.000 2.879 2.353 3.363 . 0 0 "[ . 1]" 1 253 1 29 LYS HA 1 39 LEU MD1 1.974 . 6.000 2.910 2.752 3.044 . 0 0 "[ . 1]" 1 254 2 29 LYS HA 2 39 LEU MD1 1.974 . 6.000 2.911 2.753 3.042 . 0 0 "[ . 1]" 1 255 1 22 LYS HA 1 22 LYS QG 2.717 2.404 3.030 2.526 2.474 2.590 . 0 0 "[ . 1]" 1 256 2 22 LYS HA 2 22 LYS QG 2.717 2.404 3.030 2.525 2.479 2.587 . 0 0 "[ . 1]" 1 257 1 37 LEU H 1 37 LEU MD1 2.531 2.085 2.977 2.891 2.733 2.959 . 0 0 "[ . 1]" 1 258 2 37 LEU H 2 37 LEU MD1 2.531 2.085 2.977 2.893 2.734 2.964 . 0 0 "[ . 1]" 1 259 1 37 LEU HA 1 37 LEU MD1 1.751 . 2.073 2.081 2.029 2.120 0.047 10 0 "[ . 1]" 1 260 2 37 LEU HA 2 37 LEU MD1 1.751 . 2.073 2.083 2.028 2.121 0.048 10 0 "[ . 1]" 1 261 1 31 TYR QE 1 37 LEU MD1 2.603 . 6.000 4.245 4.071 4.478 . 0 0 "[ . 1]" 1 262 2 31 TYR QE 2 37 LEU MD1 2.603 . 6.000 4.240 4.069 4.479 . 0 0 "[ . 1]" 1 263 1 28 LEU MD2 2 50 TYR QE 1.554 . 2.074 1.996 1.849 2.098 0.024 3 0 "[ . 1]" 1 264 1 50 TYR QE 2 28 LEU MD2 1.554 . 2.074 1.995 1.839 2.099 0.025 3 0 "[ . 1]" 1 265 1 28 LEU MD2 2 51 LEU MD1 1.012 . 6.000 1.977 1.871 2.083 . 0 0 "[ . 1]" 1 266 1 51 LEU MD1 2 28 LEU MD2 1.012 . 6.000 1.974 1.875 2.074 . 0 0 "[ . 1]" 1 267 1 30 VAL H 1 30 VAL MG2 1.526 . 6.000 2.007 1.949 2.081 . 0 0 "[ . 1]" 1 268 2 30 VAL H 2 30 VAL MG2 1.526 . 6.000 2.008 1.952 2.080 . 0 0 "[ . 1]" 1 269 1 27 ARG HA 1 30 VAL MG2 2.002 . 6.000 2.995 2.815 3.174 . 0 0 "[ . 1]" 1 270 2 27 ARG HA 2 30 VAL MG2 2.002 . 6.000 2.995 2.815 3.175 . 0 0 "[ . 1]" 1 271 1 29 LYS QE 1 30 VAL MG2 3.350 2.790 3.910 3.949 3.908 4.008 0.098 2 0 "[ . 1]" 1 272 2 29 LYS QE 2 30 VAL MG2 3.350 2.790 3.910 3.951 3.912 4.009 0.099 2 0 "[ . 1]" 1 273 1 29 LYS QD 1 30 VAL MG2 2.285 . 2.719 2.679 2.416 2.753 0.034 1 0 "[ . 1]" 1 274 2 29 LYS QD 2 30 VAL MG2 2.285 . 2.719 2.679 2.419 2.751 0.032 1 0 "[ . 1]" 1 275 1 29 LYS QG 1 30 VAL MG2 2.790 . 6.000 4.279 4.095 4.332 . 0 0 "[ . 1]" 1 276 2 29 LYS QG 2 30 VAL MG2 2.790 . 6.000 4.278 4.098 4.327 . 0 0 "[ . 1]" 1 277 1 51 LEU MD1 2 31 TYR QD 2.332 . 6.000 2.994 2.932 3.052 . 0 0 "[ . 1]" 1 278 1 31 TYR QD 2 51 LEU MD1 2.332 . 6.000 2.995 2.938 3.052 . 0 0 "[ . 1]" 1 279 1 40 THR MG 2 19 TYR QD 3.340 . 6.000 4.634 4.480 4.820 . 0 0 "[ . 1]" 1 280 1 19 TYR QD 2 40 THR MG 3.340 . 6.000 4.636 4.482 4.827 . 0 0 "[ . 1]" 1 281 1 40 THR MG 2 20 MET HA 3.442 2.532 4.352 2.798 2.643 2.986 . 0 0 "[ . 1]" 1 282 1 20 MET HA 2 40 THR MG 3.442 2.532 4.352 2.800 2.630 3.004 . 0 0 "[ . 1]" 1 283 1 51 LEU MD1 2 28 LEU HA 1.536 . 6.000 2.265 2.164 2.364 . 0 0 "[ . 1]" 1 284 1 28 LEU HA 2 51 LEU MD1 1.536 . 6.000 2.267 2.157 2.380 . 0 0 "[ . 1]" 1 285 1 26 THR MG 1 27 ARG HA 2.083 . 6.000 3.585 3.411 3.742 . 0 0 "[ . 1]" 1 286 2 26 THR MG 2 27 ARG HA 2.083 . 6.000 3.587 3.415 3.743 . 0 0 "[ . 1]" 1 287 1 26 THR HA 1 26 THR MG 1.784 . 6.000 2.499 2.442 2.544 . 0 0 "[ . 1]" 1 288 2 26 THR HA 2 26 THR MG 1.784 . 6.000 2.500 2.436 2.541 . 0 0 "[ . 1]" 1 289 1 51 LEU MD1 2 27 ARG QD 2.641 . 6.000 3.524 3.318 3.709 . 0 0 "[ . 1]" 1 290 1 27 ARG QD 2 51 LEU MD1 2.641 . 6.000 3.523 3.312 3.683 . 0 0 "[ . 1]" 1 291 1 40 THR MG 2 19 TYR HB2 2.326 . 6.000 3.594 3.508 3.800 . 0 0 "[ . 1]" 1 292 1 19 TYR HB2 2 40 THR MG 2.326 . 6.000 3.600 3.513 3.814 . 0 0 "[ . 1]" 1 293 1 40 THR MG 1 44 GLU HB2 2.851 . 6.000 4.287 4.222 4.348 . 0 0 "[ . 1]" 1 294 2 40 THR MG 2 44 GLU HB2 2.851 . 6.000 4.285 4.218 4.344 . 0 0 "[ . 1]" 1 295 1 26 THR MG 1 29 LYS QB 2.431 . 6.000 2.905 2.771 3.105 . 0 0 "[ . 1]" 1 296 2 26 THR MG 2 29 LYS QB 2.431 . 6.000 2.905 2.776 3.106 . 0 0 "[ . 1]" 1 297 1 40 THR MG 1 44 GLU HG3 2.088 . 2.562 2.491 2.433 2.551 . 0 0 "[ . 1]" 1 298 2 40 THR MG 2 44 GLU HG3 2.088 . 2.562 2.487 2.427 2.557 . 0 0 "[ . 1]" 1 299 1 26 THR MG 1 27 ARG HB3 3.121 . 6.000 5.138 4.877 5.330 . 0 0 "[ . 1]" 1 300 2 26 THR MG 2 27 ARG HB3 3.121 . 6.000 5.140 4.878 5.333 . 0 0 "[ . 1]" 1 301 1 51 LEU HB3 1 51 LEU MD1 2.070 . 6.000 2.810 2.781 2.834 . 0 0 "[ . 1]" 1 302 2 51 LEU HB3 2 51 LEU MD1 2.070 . 6.000 2.810 2.787 2.832 . 0 0 "[ . 1]" 1 303 1 14 ALA MB 1 16 PHE QR 2.588 . 6.000 4.800 4.703 4.909 . 0 0 "[ . 1]" 1 304 2 14 ALA MB 2 16 PHE QR 2.588 . 6.000 4.802 4.704 4.909 . 0 0 "[ . 1]" 1 305 1 15 VAL MG1 2 19 TYR QE 1.924 . 6.000 2.525 2.376 2.618 . 0 0 "[ . 1]" 1 306 1 19 TYR QE 2 15 VAL MG1 1.924 . 6.000 2.525 2.372 2.627 . 0 0 "[ . 1]" 1 307 1 14 ALA MB 2 22 LYS HA 2.037 . 3.070 2.666 2.475 2.818 . 0 0 "[ . 1]" 1 308 1 22 LYS HA 2 14 ALA MB 2.037 . 3.070 2.663 2.471 2.814 . 0 0 "[ . 1]" 1 309 1 15 VAL MG1 2 17 GLY HA2 3.210 2.749 3.916 3.742 3.669 3.826 . 0 0 "[ . 1]" 1 310 1 17 GLY HA2 2 15 VAL MG1 3.210 2.749 3.916 3.743 3.661 3.819 . 0 0 "[ . 1]" 1 311 1 14 ALA MB 2 20 MET HG3 2.881 2.199 3.563 3.588 3.371 3.629 0.066 5 0 "[ . 1]" 1 312 1 20 MET HG3 2 14 ALA MB 2.881 2.199 3.563 3.587 3.356 3.631 0.068 5 0 "[ . 1]" 1 313 1 15 VAL MG1 2 19 TYR QD 1.896 . 6.000 2.682 2.617 2.781 . 0 0 "[ . 1]" 1 314 1 19 TYR QD 2 15 VAL MG1 1.896 . 6.000 2.681 2.619 2.777 . 0 0 "[ . 1]" 1 315 1 14 ALA MB 2 22 LYS QE 3.223 . 6.000 4.614 2.707 5.652 . 0 0 "[ . 1]" 1 316 1 22 LYS QE 2 14 ALA MB 3.223 . 6.000 4.614 2.697 5.647 . 0 0 "[ . 1]" 1 317 1 30 VAL MG1 1 33 ALA MB 1.654 . 6.000 3.170 3.024 3.318 . 0 0 "[ . 1]" 1 318 2 30 VAL MG1 2 33 ALA MB 1.654 . 6.000 3.169 3.010 3.315 . 0 0 "[ . 1]" 1 319 1 15 VAL MG1 2 18 ILE HB 2.971 . 6.000 5.502 5.435 5.603 . 0 0 "[ . 1]" 1 320 1 18 ILE HB 2 15 VAL MG1 2.971 . 6.000 5.498 5.427 5.595 . 0 0 "[ . 1]" 1 321 1 15 VAL HA 1 15 VAL MG2 1.944 . 6.000 2.633 2.614 2.652 . 0 0 "[ . 1]" 1 322 2 15 VAL HA 2 15 VAL MG2 1.944 . 6.000 2.633 2.616 2.650 . 0 0 "[ . 1]" 1 323 1 15 VAL MG2 1 16 PHE HA 5.197 3.937 6.457 5.331 5.307 5.354 . 0 0 "[ . 1]" 1 324 2 15 VAL MG2 2 16 PHE HA 5.197 3.937 6.457 5.329 5.309 5.350 . 0 0 "[ . 1]" 1 325 1 15 VAL HB 1 15 VAL MG2 1.770 . 2.056 2.124 2.121 2.126 0.070 8 0 "[ . 1]" 1 326 2 15 VAL HB 2 15 VAL MG2 1.770 . 2.056 2.124 2.121 2.127 0.071 1 0 "[ . 1]" 1 327 1 42 ALA MB 1 43 ILE H 1.794 . 6.000 2.412 2.386 2.458 . 0 0 "[ . 1]" 1 328 2 42 ALA MB 2 43 ILE H 1.794 . 6.000 2.413 2.386 2.458 . 0 0 "[ . 1]" 1 329 1 31 TYR QE 1 42 ALA MB 2.435 . 6.000 3.134 2.837 3.383 . 0 0 "[ . 1]" 1 330 2 31 TYR QE 2 42 ALA MB 2.435 . 6.000 3.136 2.838 3.381 . 0 0 "[ . 1]" 1 331 1 42 ALA MB 2 50 TYR QE 1.689 . 6.000 2.604 2.497 2.688 . 0 0 "[ . 1]" 1 332 1 50 TYR QE 2 42 ALA MB 1.689 . 6.000 2.599 2.484 2.681 . 0 0 "[ . 1]" 1 333 1 39 LEU HA 1 42 ALA MB 1.964 . 6.000 2.847 2.782 2.950 . 0 0 "[ . 1]" 1 334 2 39 LEU HA 2 42 ALA MB 1.964 . 6.000 2.848 2.788 2.950 . 0 0 "[ . 1]" 1 335 1 41 GLN HB3 1 42 ALA MB 3.153 . 6.000 3.855 3.780 3.914 . 0 0 "[ . 1]" 1 336 2 41 GLN HB3 2 42 ALA MB 3.153 . 6.000 3.856 3.784 3.909 . 0 0 "[ . 1]" 1 337 1 42 ALA MB 1 45 GLU QB 3.317 . 6.000 3.984 3.843 4.183 . 0 0 "[ . 1]" 1 338 2 42 ALA MB 2 45 GLU QB 3.317 . 6.000 3.985 3.845 4.184 . 0 0 "[ . 1]" 1 339 1 28 LEU MD2 1 42 ALA MB 0.955 . 6.000 1.768 1.678 1.903 . 0 0 "[ . 1]" 1 340 2 28 LEU MD2 2 42 ALA MB 0.955 . 6.000 1.769 1.681 1.903 . 0 0 "[ . 1]" 1 341 1 16 PHE QR 1 18 ILE MG 1.788 . 6.000 2.244 2.222 2.272 . 0 0 "[ . 1]" 1 342 2 16 PHE QR 2 18 ILE MG 1.788 . 6.000 2.243 2.220 2.272 . 0 0 "[ . 1]" 1 343 1 29 LYS QE 1 33 ALA MB 2.770 2.229 3.311 2.919 2.706 3.087 . 0 0 "[ . 1]" 1 344 2 29 LYS QE 2 33 ALA MB 2.770 2.229 3.311 2.920 2.704 3.097 . 0 0 "[ . 1]" 1 345 1 18 ILE HB 1 18 ILE MG 1.782 . 2.136 2.125 2.123 2.128 . 0 0 "[ . 1]" 1 346 2 18 ILE HB 2 18 ILE MG 1.782 . 2.136 2.126 2.124 2.128 . 0 0 "[ . 1]" 1 347 1 33 ALA MB 1 34 LYS H 1.959 . 6.000 2.597 2.543 2.652 . 0 0 "[ . 1]" 1 348 2 33 ALA MB 2 34 LYS H 1.959 . 6.000 2.594 2.533 2.651 . 0 0 "[ . 1]" 1 349 1 46 ALA MB 1 47 ILE H 1.779 . 6.000 2.212 2.168 2.258 . 0 0 "[ . 1]" 1 350 2 46 ALA MB 2 47 ILE H 1.779 . 6.000 2.213 2.170 2.260 . 0 0 "[ . 1]" 1 351 1 43 ILE MG 1 47 ILE H 3.104 2.375 3.833 3.633 3.581 3.687 . 0 0 "[ . 1]" 1 352 2 43 ILE MG 2 47 ILE H 3.104 2.375 3.833 3.632 3.575 3.684 . 0 0 "[ . 1]" 1 353 1 46 ALA MB 2 50 TYR QD 2.264 . 2.662 2.594 2.497 2.672 0.010 5 0 "[ . 1]" 1 354 1 50 TYR QD 2 46 ALA MB 2.264 . 2.662 2.591 2.493 2.671 0.009 5 0 "[ . 1]" 1 355 1 40 THR HA 1 43 ILE MG 3.163 2.631 3.695 3.713 3.647 3.755 0.060 3 0 "[ . 1]" 1 356 2 40 THR HA 2 43 ILE MG 3.163 2.631 3.695 3.714 3.644 3.753 0.058 3 0 "[ . 1]" 1 357 1 46 ALA MB 2 47 ILE HA 1.398 . 1.525 1.523 1.468 1.581 0.056 8 0 "[ . 1]" 1 358 1 47 ILE HA 2 46 ALA MB 1.398 . 1.525 1.522 1.470 1.579 0.054 8 0 "[ . 1]" 1 359 1 43 ILE MG 1 44 GLU HG2 2.682 . 6.000 3.222 3.159 3.266 . 0 0 "[ . 1]" 1 360 2 43 ILE MG 2 44 GLU HG2 2.682 . 6.000 3.222 3.161 3.268 . 0 0 "[ . 1]" 1 361 1 20 MET ME 1 25 LYS H 2.568 . 6.000 3.315 3.165 3.903 . 0 0 "[ . 1]" 1 362 2 20 MET ME 2 25 LYS H 2.568 . 6.000 3.314 3.163 3.904 . 0 0 "[ . 1]" 1 363 1 16 PHE QR 1 20 MET ME 1.783 . 6.000 5.260 4.815 5.400 . 0 0 "[ . 1]" 1 364 2 16 PHE QR 2 20 MET ME 1.783 . 6.000 5.260 4.816 5.398 . 0 0 "[ . 1]" 1 365 1 20 MET ME 2 43 ILE MG 1.041 . 6.000 2.470 2.211 2.564 . 0 0 "[ . 1]" 1 366 1 43 ILE MG 2 20 MET ME 1.041 . 6.000 2.470 2.200 2.557 . 0 0 "[ . 1]" 1 367 1 18 ILE H 1 18 ILE MD 3.459 3.002 3.916 3.873 3.852 3.918 0.002 7 0 "[ . 1]" 1 368 2 18 ILE H 2 18 ILE MD 3.459 3.002 3.916 3.872 3.847 3.916 . 7 0 "[ . 1]" 1 369 1 16 PHE QR 1 43 ILE MD 1.689 . 6.000 5.843 5.714 5.930 . 0 0 "[ . 1]" 1 370 2 16 PHE QR 2 43 ILE MD 1.689 . 6.000 5.843 5.714 5.932 . 0 0 "[ . 1]" 1 371 1 18 ILE HA 1 18 ILE MD 3.148 . 6.000 4.171 4.165 4.175 . 0 0 "[ . 1]" 1 372 2 18 ILE HA 2 18 ILE MD 3.148 . 6.000 4.171 4.166 4.175 . 0 0 "[ . 1]" 1 373 1 47 ILE MD 2 25 LYS HA 2.058 . 2.469 2.360 2.314 2.397 . 0 0 "[ . 1]" 1 374 1 25 LYS HA 2 47 ILE MD 2.058 . 2.469 2.360 2.311 2.394 . 0 0 "[ . 1]" 1 375 1 47 ILE HA 1 47 ILE MD 2.777 . 6.000 3.742 3.701 3.793 . 0 0 "[ . 1]" 1 376 2 47 ILE HA 2 47 ILE MD 2.777 . 6.000 3.743 3.700 3.795 . 0 0 "[ . 1]" 1 377 1 43 ILE HA 1 43 ILE MD 2.079 . 2.431 2.449 2.432 2.463 0.032 4 0 "[ . 1]" 1 378 2 43 ILE HA 2 43 ILE MD 2.079 . 2.431 2.451 2.425 2.466 0.035 4 0 "[ . 1]" 1 379 1 18 ILE MD 2 16 PHE HB2 3.914 3.190 4.638 4.290 4.135 4.465 . 0 0 "[ . 1]" 1 380 1 16 PHE HB2 2 18 ILE MD 3.914 3.190 4.638 4.290 4.127 4.460 . 0 0 "[ . 1]" 1 381 1 18 ILE MD 2 44 GLU HG2 4.502 3.360 5.644 4.032 3.976 4.117 . 0 0 "[ . 1]" 1 382 1 44 GLU HG2 2 18 ILE MD 4.502 3.360 5.644 4.034 3.983 4.114 . 0 0 "[ . 1]" 1 383 1 44 GLU HG2 1 47 ILE MD 4.809 3.527 6.091 5.278 5.175 5.359 . 0 0 "[ . 1]" 1 384 2 44 GLU HG2 2 47 ILE MD 4.809 3.527 6.091 5.279 5.175 5.365 . 0 0 "[ . 1]" 1 385 1 28 LEU HB2 1 43 ILE MD 2.839 . 6.000 4.307 4.174 4.409 . 0 0 "[ . 1]" 1 386 2 28 LEU HB2 2 43 ILE MD 2.839 . 6.000 4.307 4.174 4.410 . 0 0 "[ . 1]" 1 387 1 42 ALA MB 1 43 ILE MD 1.718 . 6.000 2.786 2.758 2.826 . 0 0 "[ . 1]" 1 388 2 42 ALA MB 2 43 ILE MD 1.718 . 6.000 2.786 2.759 2.823 . 0 0 "[ . 1]" 1 389 1 18 ILE MD 2 43 ILE HA 4.087 3.347 4.827 4.736 4.700 4.817 . 0 0 "[ . 1]" 1 390 1 43 ILE HA 2 18 ILE MD 4.087 3.347 4.827 4.733 4.697 4.817 . 0 0 "[ . 1]" 1 391 1 47 ILE MD 2 43 ILE HA 2.264 . 6.000 3.201 3.142 3.303 . 0 0 "[ . 1]" 1 392 1 43 ILE HA 2 47 ILE MD 2.264 . 6.000 3.201 3.140 3.302 . 0 0 "[ . 1]" 1 393 1 18 ILE HB 1 18 ILE MD 1.768 . 6.000 2.372 2.359 2.388 . 0 0 "[ . 1]" 1 394 2 18 ILE HB 2 18 ILE MD 1.768 . 6.000 2.372 2.359 2.387 . 0 0 "[ . 1]" 1 395 1 47 ILE MD 2 28 LEU HB3 1.905 . 2.322 2.109 2.052 2.151 . 0 0 "[ . 1]" 1 396 1 28 LEU HB3 2 47 ILE MD 1.905 . 2.322 2.109 2.052 2.155 . 0 0 "[ . 1]" 1 397 1 27 ARG H 1 27 ARG HG2 5.272 . 6.000 4.520 4.477 4.542 . 0 0 "[ . 1]" 1 398 2 27 ARG H 2 27 ARG HG2 5.272 . 6.000 4.521 4.474 4.545 . 0 0 "[ . 1]" 1 399 1 27 ARG HA 1 27 ARG HG2 4.463 3.928 4.998 3.930 3.899 3.979 0.029 9 0 "[ . 1]" 1 400 2 27 ARG HA 2 27 ARG HG2 4.463 3.928 4.998 3.930 3.897 3.978 0.031 9 0 "[ . 1]" 1 401 1 27 ARG HG2 2 48 LYS QE 3.525 2.856 4.194 4.143 3.901 4.347 0.153 6 0 "[ . 1]" 1 402 1 48 LYS QE 2 27 ARG HG2 3.525 2.856 4.194 4.140 3.900 4.348 0.154 6 0 "[ . 1]" 1 403 1 28 LEU HB3 1 28 LEU MD1 1.674 . 2.027 2.168 2.159 2.176 0.149 3 0 "[ . 1]" 1 404 2 28 LEU HB3 2 28 LEU MD1 1.674 . 2.027 2.167 2.153 2.175 0.148 3 0 "[ . 1]" 1 405 1 50 TYR QD 1 51 LEU HG 3.508 . 6.000 5.132 5.020 5.274 . 0 0 "[ . 1]" 1 406 2 50 TYR QD 2 51 LEU HG 3.508 . 6.000 5.132 5.024 5.275 . 0 0 "[ . 1]" 1 407 1 39 LEU H 1 39 LEU HG 5.305 . 6.000 4.412 4.362 4.468 . 0 0 "[ . 1]" 1 408 2 39 LEU H 2 39 LEU HG 5.305 . 6.000 4.412 4.360 4.467 . 0 0 "[ . 1]" 1 409 1 39 LEU HA 1 39 LEU HG 3.907 3.318 4.496 3.617 3.607 3.634 . 0 0 "[ . 1]" 1 410 2 39 LEU HA 2 39 LEU HG 3.907 3.318 4.496 3.617 3.606 3.630 . 0 0 "[ . 1]" 1 411 1 39 LEU MD2 1 39 LEU HG 2.517 . 3.167 2.123 2.120 2.127 . 0 0 "[ . 1]" 1 412 2 39 LEU MD2 2 39 LEU HG 2.517 . 3.167 2.124 2.120 2.129 . 0 0 "[ . 1]" 1 413 1 39 LEU MD1 1 39 LEU HG 2.778 2.004 3.552 2.120 2.116 2.124 . 0 0 "[ . 1]" 1 414 2 39 LEU MD1 2 39 LEU HG 2.778 2.004 3.552 2.121 2.119 2.123 . 0 0 "[ . 1]" 1 415 1 16 PHE QR 1 18 ILE HB 3.876 3.242 4.510 4.075 4.054 4.103 . 0 0 "[ . 1]" 1 416 2 16 PHE QR 2 18 ILE HB 3.876 3.242 4.510 4.075 4.053 4.102 . 0 0 "[ . 1]" 1 417 1 34 LYS HA 1 36 ASN H 3.287 2.883 3.691 3.807 3.758 3.856 0.165 6 0 "[ . 1]" 1 418 2 34 LYS HA 2 36 ASN H 3.287 2.883 3.691 3.807 3.760 3.858 0.167 6 0 "[ . 1]" 1 419 1 37 LEU HA 1 37 LEU MD2 4.012 3.303 4.721 3.771 3.764 3.783 . 0 0 "[ . 1]" 1 420 2 37 LEU HA 2 37 LEU MD2 4.012 3.303 4.721 3.771 3.766 3.782 . 0 0 "[ . 1]" 1 421 1 37 LEU MD2 1 41 GLN QG 3.466 2.945 3.987 3.699 3.429 4.083 0.096 10 0 "[ . 1]" 1 422 2 37 LEU MD2 2 41 GLN QG 3.466 2.945 3.987 3.699 3.436 4.084 0.097 10 0 "[ . 1]" 1 423 1 37 LEU MD2 1 41 GLN HB3 3.045 . 6.000 3.695 3.456 3.937 . 0 0 "[ . 1]" 1 424 2 37 LEU MD2 2 41 GLN HB3 3.045 . 6.000 3.694 3.460 3.938 . 0 0 "[ . 1]" 1 425 1 24 LEU H 1 25 LYS HA 4.235 . 6.000 5.288 5.199 5.354 . 0 0 "[ . 1]" 1 426 2 24 LEU H 2 25 LYS HA 4.235 . 6.000 5.288 5.201 5.360 . 0 0 "[ . 1]" 1 427 1 36 ASN H 1 36 ASN HB3 4.080 3.650 4.510 4.078 4.055 4.114 . 0 0 "[ . 1]" 1 428 2 36 ASN H 2 36 ASN HB3 4.080 3.650 4.510 4.079 4.055 4.112 . 0 0 "[ . 1]" 1 429 1 37 LEU HB2 1 37 LEU MD2 2.006 . 2.421 2.342 2.289 2.368 . 0 0 "[ . 1]" 1 430 2 37 LEU HB2 2 37 LEU MD2 2.006 . 2.421 2.342 2.293 2.365 . 0 0 "[ . 1]" 1 431 1 37 LEU HB3 1 37 LEU MD2 2.184 . 2.654 2.347 2.325 2.389 . 0 0 "[ . 1]" 1 432 2 37 LEU HB3 2 37 LEU MD2 2.184 . 2.654 2.346 2.317 2.387 . 0 0 "[ . 1]" 1 433 1 37 LEU HA 1 37 LEU HG 3.844 . 6.000 2.538 2.506 2.601 . 0 0 "[ . 1]" 1 434 2 37 LEU HA 2 37 LEU HG 3.844 . 6.000 2.539 2.511 2.597 . 0 0 "[ . 1]" 1 435 1 35 ASN HB2 1 37 LEU HG 4.957 4.196 5.718 4.793 4.734 4.853 . 0 0 "[ . 1]" 1 436 2 35 ASN HB2 2 37 LEU HG 4.957 4.196 5.718 4.793 4.736 4.852 . 0 0 "[ . 1]" 1 437 1 44 GLU HG2 2 24 LEU QD 3.006 2.385 3.627 2.665 2.432 2.842 . 0 0 "[ . 1]" 1 438 1 24 LEU QD 2 44 GLU HG2 3.006 2.385 3.627 2.666 2.421 2.830 . 0 0 "[ . 1]" 1 439 1 47 ILE H 1 47 ILE HB 2.126 . 2.370 2.463 2.408 2.496 0.126 10 0 "[ . 1]" 1 440 2 47 ILE H 2 47 ILE HB 2.126 . 2.370 2.462 2.411 2.493 0.123 10 0 "[ . 1]" 1 441 1 44 GLU HA 1 44 GLU HB3 2.691 2.319 3.063 2.484 2.474 2.494 . 0 0 "[ . 1]" 1 442 2 44 GLU HA 2 44 GLU HB3 2.691 2.319 3.063 2.482 2.472 2.492 . 0 0 "[ . 1]" 1 443 1 42 ALA H 1 44 GLU HB2 4.163 . 6.000 5.077 5.008 5.146 . 0 0 "[ . 1]" 1 444 2 42 ALA H 2 44 GLU HB2 4.163 . 6.000 5.076 5.010 5.148 . 0 0 "[ . 1]" 1 445 1 41 GLN H 1 44 GLU HB2 3.913 . 6.000 5.152 5.059 5.222 . 0 0 "[ . 1]" 1 446 2 41 GLN H 2 44 GLU HB2 3.913 . 6.000 5.150 5.052 5.226 . 0 0 "[ . 1]" 1 447 1 44 GLU HB2 1 46 ALA H 3.545 . 6.000 4.804 4.725 4.901 . 0 0 "[ . 1]" 1 448 2 44 GLU HB2 2 46 ALA H 3.545 . 6.000 4.802 4.725 4.891 . 0 0 "[ . 1]" 1 449 1 54 ARG HB3 1 54 ARG HD3 3.228 2.919 3.537 3.448 3.391 3.515 . 0 0 "[ . 1]" 1 450 2 54 ARG HB3 2 54 ARG HD3 3.228 2.919 3.537 3.448 3.397 3.518 . 0 0 "[ . 1]" 1 451 1 56 GLY HA2 2 27 ARG QD 2.238 . 6.000 2.719 2.345 2.990 . 0 0 "[ . 1]" 1 452 1 27 ARG QD 2 56 GLY HA2 2.238 . 6.000 2.719 2.339 3.005 . 0 0 "[ . 1]" 1 453 1 17 GLY H 1 18 ILE MG 2.253 . 6.000 3.135 3.016 3.219 . 0 0 "[ . 1]" 1 454 2 17 GLY H 2 18 ILE MG 2.253 . 6.000 3.140 3.019 3.231 . 0 0 "[ . 1]" 1 455 1 18 ILE MG 2 39 LEU HB3 2.829 2.150 3.508 3.204 3.085 3.295 . 0 0 "[ . 1]" 1 456 1 39 LEU HB3 2 18 ILE MG 2.829 2.150 3.508 3.202 3.082 3.305 . 0 0 "[ . 1]" 1 457 1 20 MET HG3 1 24 LEU QD 3.534 2.794 4.274 3.498 3.243 3.721 . 0 0 "[ . 1]" 1 458 2 20 MET HG3 2 24 LEU QD 3.534 2.794 4.274 3.499 3.245 3.720 . 0 0 "[ . 1]" 1 459 1 20 MET ME 1 20 MET HG3 1.864 . 6.000 2.592 2.492 3.382 . 0 0 "[ . 1]" 1 460 2 20 MET ME 2 20 MET HG3 1.864 . 6.000 2.592 2.494 3.377 . 0 0 "[ . 1]" 1 461 1 27 ARG HA 1 30 VAL HB 2.995 2.569 3.421 3.149 2.928 3.336 . 0 0 "[ . 1]" 1 462 2 27 ARG HA 2 30 VAL HB 2.995 2.569 3.421 3.149 2.928 3.336 . 0 0 "[ . 1]" 1 463 1 19 TYR QD 2 13 LYS QD 3.562 3.089 4.035 3.789 3.131 4.073 0.038 6 0 "[ . 1]" 1 464 1 13 LYS QD 2 19 TYR QD 3.562 3.089 4.035 3.789 3.127 4.074 0.039 6 0 "[ . 1]" 1 465 1 50 TYR QD 2 45 GLU HA 3.556 . 6.000 5.543 5.421 5.622 . 0 0 "[ . 1]" 1 466 1 45 GLU HA 2 50 TYR QD 3.556 . 6.000 5.545 5.428 5.615 . 0 0 "[ . 1]" 1 467 1 16 PHE QE 2 43 ILE MD 1.677 . 2.130 2.189 2.170 2.212 0.082 9 0 "[ . 1]" 1 468 1 43 ILE MD 2 16 PHE QE 1.677 . 2.130 2.187 2.166 2.205 0.075 2 0 "[ . 1]" 1 469 1 19 TYR QE 2 13 LYS QD 3.591 . 6.000 5.018 4.296 5.346 . 0 0 "[ . 1]" 1 470 1 13 LYS QD 2 19 TYR QE 3.591 . 6.000 5.017 4.299 5.348 . 0 0 "[ . 1]" 1 471 1 50 TYR QE 2 45 GLU HA 4.080 3.507 4.653 4.590 4.409 4.719 0.066 3 0 "[ . 1]" 1 472 1 45 GLU HA 2 50 TYR QE 4.080 3.507 4.653 4.593 4.422 4.715 0.062 3 0 "[ . 1]" 1 473 1 50 TYR QE 2 46 ALA MB . 3.093 6.000 3.415 3.302 3.515 . 0 0 "[ . 1]" 1 474 1 46 ALA MB 2 50 TYR QE . 3.093 6.000 3.416 3.306 3.520 . 0 0 "[ . 1]" 1 475 1 40 THR HB 2 20 MET H 6.756 5.410 8.102 6.741 6.556 6.958 . 0 0 "[ . 1]" 1 476 1 20 MET H 2 40 THR HB 6.756 5.410 8.102 6.743 6.543 6.972 . 0 0 "[ . 1]" 1 477 1 40 THR HB 2 20 MET HA 3.742 . 6.000 5.256 5.031 5.526 . 0 0 "[ . 1]" 1 478 1 20 MET HA 2 40 THR HB 3.742 . 6.000 5.258 5.006 5.552 . 0 0 "[ . 1]" 1 479 1 40 THR HA 2 19 TYR H 5.652 4.804 6.000 5.279 5.087 5.477 . 0 0 "[ . 1]" 1 480 1 19 TYR H 2 40 THR HA 5.652 4.804 6.000 5.282 5.073 5.484 . 0 0 "[ . 1]" 1 481 1 44 GLU HA 2 20 MET ME 2.909 2.168 3.027 2.839 2.741 3.057 0.030 8 0 "[ . 1]" 1 482 1 20 MET ME 2 44 GLU HA 2.909 2.168 3.027 2.842 2.736 3.064 0.037 8 0 "[ . 1]" 1 483 1 44 GLU HA 2 24 LEU QD 2.173 . 2.696 2.293 2.124 2.418 . 0 0 "[ . 1]" 1 484 1 24 LEU QD 2 44 GLU HA 2.173 . 2.696 2.293 2.139 2.415 . 0 0 "[ . 1]" 1 485 1 46 ALA HA 2 50 TYR QE . 3.368 3.431 3.518 3.483 3.555 0.124 8 0 "[ . 1]" 1 486 1 50 TYR QE 2 46 ALA HA . 3.368 3.431 3.516 3.477 3.551 0.120 8 0 "[ . 1]" 1 487 1 17 GLY HA3 2 15 VAL HA 6.095 5.271 6.919 6.823 6.730 6.925 0.006 7 0 "[ . 1]" 1 488 1 15 VAL HA 2 17 GLY HA3 6.095 5.271 6.919 6.821 6.739 6.937 0.018 7 0 "[ . 1]" 1 489 1 17 GLY HA3 2 18 ILE H 5.581 4.954 6.208 5.351 5.208 5.519 . 0 0 "[ . 1]" 1 490 1 18 ILE H 2 17 GLY HA3 5.581 4.954 6.208 5.350 5.220 5.518 . 0 0 "[ . 1]" 1 491 1 25 LYS HE3 2 16 PHE HA 3.699 3.121 4.277 4.128 4.008 4.232 . 0 0 "[ . 1]" 1 492 1 16 PHE HA 2 25 LYS HE3 3.699 3.121 4.277 4.128 4.008 4.246 . 0 0 "[ . 1]" 1 493 1 53 LYS QE 2 53 LYS QD 4.197 . 6.000 3.583 2.952 4.159 . 0 0 "[ . 1]" 1 494 1 53 LYS QD 2 53 LYS QE 4.197 . 6.000 3.583 2.957 4.160 . 0 0 "[ . 1]" 1 495 1 43 ILE HB 2 18 ILE MD 2.135 . 2.638 2.530 2.492 2.625 . 0 0 "[ . 1]" 1 496 1 18 ILE MD 2 43 ILE HB 2.135 . 2.638 2.534 2.485 2.625 . 0 0 "[ . 1]" 1 497 1 51 LEU MD2 2 27 ARG HG2 2.510 . 3.082 2.659 2.503 2.804 . 0 0 "[ . 1]" 1 498 1 27 ARG HG2 2 51 LEU MD2 2.510 . 3.082 2.658 2.493 2.809 . 0 0 "[ . 1]" 1 499 1 51 LEU MD2 2 27 ARG HG3 2.230 . 2.853 2.226 2.043 2.387 . 0 0 "[ . 1]" 1 500 1 27 ARG HG3 2 51 LEU MD2 2.230 . 2.853 2.227 2.037 2.388 . 0 0 "[ . 1]" 1 501 1 48 LYS QG 2 24 LEU QD 3.810 3.246 4.374 3.599 3.302 3.774 . 0 0 "[ . 1]" 1 502 1 24 LEU QD 2 48 LYS QG 3.810 3.246 4.374 3.603 3.299 3.777 . 0 0 "[ . 1]" 1 503 1 51 LEU MD2 2 27 ARG HE 4.500 3.796 5.204 4.850 4.657 4.976 . 0 0 "[ . 1]" 1 504 1 27 ARG HE 2 51 LEU MD2 4.500 3.796 5.204 4.847 4.655 4.978 . 0 0 "[ . 1]" 1 505 1 24 LEU QD 2 48 LYS QE . . 2.223 1.845 1.783 1.975 0.098 6 0 "[ . 1]" 1 506 1 48 LYS QE 2 24 LEU QD . . 2.223 1.843 1.781 1.968 0.100 6 0 "[ . 1]" 1 507 1 28 LEU MD2 2 50 TYR QD 1.778 . 2.433 2.335 2.204 2.443 0.010 2 0 "[ . 1]" 1 508 1 50 TYR QD 2 28 LEU MD2 1.778 . 2.433 2.335 2.192 2.446 0.013 1 0 "[ . 1]" 1 509 1 51 LEU MD1 2 31 TYR H 4.551 3.557 5.545 4.089 4.001 4.179 . 0 0 "[ . 1]" 1 510 1 31 TYR H 2 51 LEU MD1 4.551 3.557 5.545 4.089 3.990 4.188 . 0 0 "[ . 1]" 1 511 1 51 LEU MD1 2 31 TYR QE 3.556 2.610 4.502 3.868 3.803 3.954 . 0 0 "[ . 1]" 1 512 1 31 TYR QE 2 51 LEU MD1 3.556 2.610 4.502 3.870 3.801 3.950 . 0 0 "[ . 1]" 1 513 1 15 VAL MG1 2 17 GLY HA3 3.864 2.975 4.753 4.201 4.114 4.297 . 0 0 "[ . 1]" 1 514 1 17 GLY HA3 2 15 VAL MG1 3.864 2.975 4.753 4.202 4.123 4.293 . 0 0 "[ . 1]" 1 515 1 51 LEU MD1 2 31 TYR HA 3.874 3.202 4.546 4.342 4.266 4.414 . 0 0 "[ . 1]" 1 516 1 31 TYR HA 2 51 LEU MD1 3.874 3.202 4.546 4.344 4.259 4.421 . 0 0 "[ . 1]" 1 517 1 51 LEU MD1 2 31 TYR HB2 2.272 . 2.784 2.315 2.269 2.361 . 0 0 "[ . 1]" 1 518 1 31 TYR HB2 2 51 LEU MD1 2.272 . 2.784 2.315 2.261 2.367 . 0 0 "[ . 1]" 1 519 1 51 LEU MD1 2 28 LEU HB2 2.944 2.354 3.534 3.479 3.421 3.549 0.015 9 0 "[ . 1]" 1 520 1 28 LEU HB2 2 51 LEU MD1 2.944 2.354 3.534 3.479 3.420 3.555 0.021 9 0 "[ . 1]" 1 521 1 14 ALA MB 2 22 LYS H 4.081 3.045 5.117 4.015 3.741 4.220 . 0 0 "[ . 1]" 1 522 1 22 LYS H 2 14 ALA MB 4.081 3.045 5.117 4.011 3.749 4.221 . 0 0 "[ . 1]" 1 523 1 15 VAL MG1 2 18 ILE H 3.154 2.440 3.868 3.554 3.515 3.597 . 0 0 "[ . 1]" 1 524 1 18 ILE H 2 15 VAL MG1 3.154 2.440 3.868 3.550 3.508 3.590 . 0 0 "[ . 1]" 1 525 1 15 VAL MG2 2 19 TYR QE 2.040 . 2.949 1.970 1.884 2.056 . 0 0 "[ . 1]" 1 526 1 19 TYR QE 2 15 VAL MG2 2.040 . 2.949 1.969 1.907 2.065 . 0 0 "[ . 1]" 1 527 1 42 ALA MB 2 50 TYR QD 3.112 . 4.440 4.095 4.027 4.234 . 0 0 "[ . 1]" 1 528 1 50 TYR QD 2 42 ALA MB 3.112 . 4.440 4.091 4.017 4.227 . 0 0 "[ . 1]" 1 529 1 42 ALA MB 2 51 LEU MD1 3.541 . 5.637 4.334 4.163 4.463 . 0 0 "[ . 1]" 1 530 1 51 LEU MD1 2 42 ALA MB 3.541 . 5.637 4.330 4.168 4.459 . 0 0 "[ . 1]" 1 531 1 18 ILE MG 2 40 THR HA 2.824 . 3.259 2.804 2.719 2.887 . 0 0 "[ . 1]" 1 532 1 40 THR HA 2 18 ILE MG 2.824 . 3.259 2.803 2.730 2.874 . 0 0 "[ . 1]" 1 533 1 47 ILE MG 2 28 LEU HB2 3.826 2.956 4.696 4.180 4.029 4.284 . 0 0 "[ . 1]" 1 534 1 28 LEU HB2 2 47 ILE MG 3.826 2.956 4.696 4.182 4.024 4.280 . 0 0 "[ . 1]" 1 535 1 47 ILE MG 2 20 MET ME 1.473 . 1.961 2.013 1.985 2.051 0.090 1 0 "[ . 1]" 1 536 1 20 MET ME 2 47 ILE MG 1.473 . 1.961 2.015 1.991 2.053 0.092 1 0 "[ . 1]" 1 537 1 18 ILE MG 2 40 THR MG 2.409 . 3.078 2.965 2.942 2.998 . 0 0 "[ . 1]" 1 538 1 40 THR MG 2 18 ILE MG 2.409 . 3.078 2.966 2.937 3.010 . 0 0 "[ . 1]" 1 539 1 47 ILE MG 2 24 LEU QD 1.093 . 6.000 1.554 1.516 1.581 . 0 0 "[ . 1]" 1 540 1 24 LEU QD 2 47 ILE MG 1.093 . 6.000 1.554 1.512 1.579 . 0 0 "[ . 1]" 1 541 1 46 ALA MB 2 47 ILE H 2.864 2.331 3.397 3.360 3.253 3.423 0.026 4 0 "[ . 1]" 1 542 1 47 ILE H 2 46 ALA MB 2.864 2.331 3.397 3.361 3.257 3.423 0.026 4 0 "[ . 1]" 1 543 1 46 ALA MB 2 50 TYR HA 5.775 . 6.000 4.335 4.256 4.396 . 0 0 "[ . 1]" 1 544 1 50 TYR HA 2 46 ALA MB 5.775 . 6.000 4.333 4.245 4.398 . 0 0 "[ . 1]" 1 545 1 43 ILE MG 2 43 ILE HA 3.734 2.829 4.639 4.716 4.695 4.740 0.101 8 0 "[ . 1]" 1 546 1 43 ILE HA 2 43 ILE MG 3.734 2.829 4.639 4.715 4.693 4.745 0.106 8 0 "[ . 1]" 1 547 1 20 MET ME 2 48 LYS H 4.420 3.324 5.516 5.288 5.205 5.402 . 0 0 "[ . 1]" 1 548 1 48 LYS H 2 20 MET ME 4.420 3.324 5.516 5.282 5.184 5.396 . 0 0 "[ . 1]" 1 549 1 20 MET ME 2 44 GLU H 4.644 3.535 5.753 4.347 4.262 4.483 . 0 0 "[ . 1]" 1 550 1 44 GLU H 2 20 MET ME 4.644 3.535 5.753 4.346 4.257 4.488 . 0 0 "[ . 1]" 1 551 1 46 ALA MB 2 50 TYR H 4.228 3.457 4.999 3.878 3.862 3.912 . 0 0 "[ . 1]" 1 552 1 50 TYR H 2 46 ALA MB 4.228 3.457 4.999 3.875 3.850 3.902 . 0 0 "[ . 1]" 1 553 1 20 MET ME 2 16 PHE QD 2.661 . 6.000 4.180 3.674 4.323 . 0 0 "[ . 1]" 1 554 1 16 PHE QD 2 20 MET ME 2.661 . 6.000 4.182 3.679 4.328 . 0 0 "[ . 1]" 1 555 1 43 ILE MG 2 20 MET HB3 2.727 2.066 3.388 3.400 3.334 3.506 0.118 8 0 "[ . 1]" 1 556 1 20 MET HB3 2 43 ILE MG 2.727 2.066 3.388 3.403 3.338 3.512 0.124 8 0 "[ . 1]" 1 557 1 43 ILE MG 2 18 ILE MD 0.847 . 6.000 1.808 1.749 1.892 . 0 0 "[ . 1]" 1 558 1 18 ILE MD 2 43 ILE MG 0.847 . 6.000 1.812 1.762 1.890 . 0 0 "[ . 1]" 1 559 1 47 ILE MD 2 28 LEU H 3.774 3.038 4.510 3.801 3.752 3.844 . 0 0 "[ . 1]" 1 560 1 28 LEU H 2 47 ILE MD 3.774 3.038 4.510 3.800 3.747 3.846 . 0 0 "[ . 1]" 1 561 1 18 ILE MD 2 16 PHE QD 2.452 . 6.000 3.606 3.532 3.675 . 0 0 "[ . 1]" 1 562 1 16 PHE QD 2 18 ILE MD 2.452 . 6.000 3.608 3.529 3.674 . 0 0 "[ . 1]" 1 563 1 18 ILE MD 2 20 MET ME 3.118 . 6.000 5.395 5.186 5.526 . 0 0 "[ . 1]" 1 564 1 20 MET ME 2 18 ILE MD 3.118 . 6.000 5.392 5.177 5.518 . 0 0 "[ . 1]" 1 565 1 47 ILE MD 2 20 MET ME 0.990 . 6.000 2.023 1.614 2.139 . 0 0 "[ . 1]" 1 566 1 20 MET ME 2 47 ILE MD 0.990 . 6.000 2.024 1.599 2.143 . 0 0 "[ . 1]" 1 567 1 18 ILE MD 2 42 ALA MB 3.377 . 6.000 5.429 5.392 5.558 . 0 0 "[ . 1]" 1 568 1 42 ALA MB 2 18 ILE MD 3.377 . 6.000 5.427 5.384 5.564 . 0 0 "[ . 1]" 1 569 1 18 ILE MD 2 40 THR MG 1.334 . 1.957 1.571 1.523 1.616 . 0 0 "[ . 1]" 1 570 1 40 THR MG 2 18 ILE MD 1.334 . 1.957 1.573 1.528 1.619 . 0 0 "[ . 1]" 1 571 1 47 ILE MD 2 43 ILE MD 1.099 . 6.000 1.983 1.915 2.033 . 0 0 "[ . 1]" 1 572 1 43 ILE MD 2 47 ILE MD 1.099 . 6.000 1.985 1.921 2.041 . 0 0 "[ . 1]" 1 573 1 14 ALA MB 2 22 LYS QB 3.268 2.267 4.269 2.705 2.349 3.117 . 0 0 "[ . 1]" 1 574 1 22 LYS QB 2 14 ALA MB 3.268 2.267 4.269 2.704 2.347 3.118 . 0 0 "[ . 1]" 1 575 1 14 ALA MB 2 20 MET ME 3.173 . 6.000 5.101 5.048 5.198 . 0 0 "[ . 1]" 1 576 1 20 MET ME 2 14 ALA MB 3.173 . 6.000 5.102 5.053 5.196 . 0 0 "[ . 1]" 1 577 1 18 ILE HB 2 43 ILE MG 3.439 . 6.000 4.895 4.857 4.939 . 0 0 "[ . 1]" 1 578 1 43 ILE MG 2 18 ILE HB 3.439 . 6.000 4.892 4.851 4.945 . 0 0 "[ . 1]" 1 579 1 18 ILE MG 2 39 LEU HG 4.407 3.282 5.532 4.452 4.344 4.591 . 0 0 "[ . 1]" 1 580 1 39 LEU HG 2 18 ILE MG 4.407 3.282 5.532 4.451 4.342 4.593 . 0 0 "[ . 1]" 1 581 1 47 ILE MD 2 31 TYR QD 3.633 . 6.000 5.769 5.647 5.947 . 0 0 "[ . 1]" 1 582 1 31 TYR QD 2 47 ILE MD 3.633 . 6.000 5.768 5.647 5.962 . 0 0 "[ . 1]" 1 583 1 25 LYS HE2 2 14 ALA MB 5.743 3.886 7.600 4.161 4.056 4.369 . 0 0 "[ . 1]" 1 584 1 14 ALA MB 2 25 LYS HE2 5.743 3.886 7.600 4.160 4.051 4.376 . 0 0 "[ . 1]" 1 585 1 28 LEU HA 2 47 ILE HG13 5.643 4.663 6.623 5.104 4.896 5.450 . 0 0 "[ . 1]" 1 586 1 47 ILE HG13 2 28 LEU HA 5.643 4.663 6.623 5.102 4.887 5.444 . 0 0 "[ . 1]" 1 587 1 46 ALA HA 2 46 ALA MB 4.467 3.101 5.833 4.397 4.274 4.525 . 0 0 "[ . 1]" 1 588 1 46 ALA MB 2 46 ALA HA 4.467 3.101 5.833 4.398 4.274 4.520 . 0 0 "[ . 1]" 1 589 1 45 GLU QB 2 50 TYR QE 3.307 . 6.000 2.507 2.313 2.704 . 0 0 "[ . 1]" 1 590 1 50 TYR QE 2 45 GLU QB 3.307 . 6.000 2.504 2.299 2.711 . 0 0 "[ . 1]" 1 591 1 47 ILE MG 2 18 ILE MD 2.029 . 6.000 4.818 4.725 4.922 . 0 0 "[ . 1]" 1 592 1 18 ILE MD 2 47 ILE MG 2.029 . 6.000 4.819 4.722 4.921 . 0 0 "[ . 1]" 1 593 1 47 ILE MD 2 20 MET HG2 5.264 3.992 6.536 5.725 4.889 5.898 . 0 0 "[ . 1]" 1 594 1 20 MET HG2 2 47 ILE MD 5.264 3.992 6.536 5.727 4.885 5.900 . 0 0 "[ . 1]" 1 595 1 16 PHE QE 2 39 LEU HG 3.559 . 6.000 2.329 2.203 2.435 . 0 0 "[ . 1]" 1 596 1 39 LEU HG 2 16 PHE QE 3.559 . 6.000 2.330 2.200 2.433 . 0 0 "[ . 1]" 1 597 1 31 TYR QE 2 51 LEU HB3 5.661 4.384 6.938 6.965 6.853 7.064 0.126 6 0 "[ . 1]" 1 598 1 51 LEU HB3 2 31 TYR QE 5.661 4.384 6.938 6.962 6.860 7.066 0.128 6 0 "[ . 1]" 1 599 1 50 TYR QD 2 45 GLU QB 4.872 3.922 5.822 4.027 3.882 4.163 0.040 8 0 "[ . 1]" 1 600 1 45 GLU QB 2 50 TYR QD 4.872 3.922 5.822 4.028 3.888 4.158 0.034 8 0 "[ . 1]" 1 601 1 28 LEU HA 1 31 TYR QD 3.634 3.222 4.046 3.882 3.783 3.983 . 0 0 "[ . 1]" 1 602 2 28 LEU HA 2 31 TYR QD 3.634 3.222 4.046 3.882 3.789 3.994 . 0 0 "[ . 1]" 1 603 1 31 TYR HB2 1 31 TYR QD 2.422 2.140 2.704 2.496 2.454 2.559 . 0 0 "[ . 1]" 1 604 2 31 TYR HB2 2 31 TYR QD 2.422 2.140 2.704 2.494 2.449 2.555 . 0 0 "[ . 1]" 1 605 1 31 TYR HB3 1 31 TYR QD 2.107 . 2.375 2.304 2.278 2.331 . 0 0 "[ . 1]" 1 606 2 31 TYR HB3 2 31 TYR QD 2.107 . 2.375 2.305 2.282 2.335 . 0 0 "[ . 1]" 1 607 1 31 TYR QD 1 42 ALA MB 2.318 . 6.000 2.621 2.484 2.844 . 0 0 "[ . 1]" 1 608 2 31 TYR QD 2 42 ALA MB 2.318 . 6.000 2.620 2.483 2.843 . 0 0 "[ . 1]" 1 609 1 31 TYR QD 1 37 LEU MD2 2.060 . 6.000 3.328 3.203 3.503 . 0 0 "[ . 1]" 1 610 2 31 TYR QD 2 37 LEU MD2 2.060 . 6.000 3.325 3.198 3.502 . 0 0 "[ . 1]" 1 611 1 28 LEU MD2 1 31 TYR QD 1.633 . 6.000 2.148 2.035 2.297 . 0 0 "[ . 1]" 1 612 2 28 LEU MD2 2 31 TYR QD 1.633 . 6.000 2.150 2.039 2.302 . 0 0 "[ . 1]" 1 613 1 31 TYR QD 2 51 LEU MD2 2.722 . 6.000 4.703 4.650 4.770 . 0 0 "[ . 1]" 1 614 1 51 LEU MD2 2 31 TYR QD 2.722 . 6.000 4.703 4.651 4.781 . 0 0 "[ . 1]" 1 615 1 16 PHE HA 1 16 PHE QR 2.265 . 2.659 2.006 1.947 2.056 . 0 0 "[ . 1]" 1 616 2 16 PHE HA 2 16 PHE QR 2.265 . 2.659 2.006 1.955 2.053 . 0 0 "[ . 1]" 1 617 1 16 PHE QR 2 40 THR HA 3.121 2.637 3.605 3.106 3.072 3.185 . 0 0 "[ . 1]" 1 618 1 40 THR HA 2 16 PHE QR 3.121 2.637 3.605 3.107 3.067 3.178 . 0 0 "[ . 1]" 1 619 1 16 PHE HB2 1 16 PHE QR 2.704 2.416 2.992 2.683 2.664 2.701 . 0 0 "[ . 1]" 1 620 2 16 PHE HB2 2 16 PHE QR 2.704 2.416 2.992 2.682 2.663 2.703 . 0 0 "[ . 1]" 1 621 1 16 PHE HB3 1 16 PHE QR 2.277 . 2.556 2.277 2.269 2.289 . 0 0 "[ . 1]" 1 622 2 16 PHE HB3 2 16 PHE QR 2.277 . 2.556 2.279 2.269 2.290 . 0 0 "[ . 1]" 1 623 1 16 PHE QR 2 20 MET HG2 3.761 . 6.000 4.442 4.352 4.557 . 0 0 "[ . 1]" 1 624 1 20 MET HG2 2 16 PHE QR 3.761 . 6.000 4.442 4.354 4.550 . 0 0 "[ . 1]" 1 625 1 16 PHE QR 2 25 LYS HE2 2.678 2.307 3.049 3.028 2.898 3.080 0.031 3 0 "[ . 1]" 1 626 1 25 LYS HE2 2 16 PHE QR 2.678 2.307 3.049 3.026 2.886 3.083 0.034 3 0 "[ . 1]" 1 627 1 16 PHE QR 2 25 LYS HE3 2.616 2.252 2.980 2.939 2.797 3.025 0.045 2 0 "[ . 1]" 1 628 1 25 LYS HE3 2 16 PHE QR 2.616 2.252 2.980 2.941 2.800 3.016 0.036 2 0 "[ . 1]" 1 629 1 16 PHE QR 2 40 THR MG 2.678 . 6.000 3.993 3.956 4.035 . 0 0 "[ . 1]" 1 630 1 40 THR MG 2 16 PHE QR 2.678 . 6.000 3.994 3.951 4.046 . 0 0 "[ . 1]" 1 631 1 16 PHE QR 2 25 LYS HG3 2.987 . 6.000 3.633 3.567 3.727 . 0 0 "[ . 1]" 1 632 1 25 LYS HG3 2 16 PHE QR 2.987 . 6.000 3.632 3.577 3.730 . 0 0 "[ . 1]" 1 633 1 16 PHE QR 1 18 ILE MD 1.351 . 6.000 1.823 1.765 1.876 . 0 0 "[ . 1]" 1 634 2 16 PHE QR 2 18 ILE MD 1.351 . 6.000 1.822 1.762 1.867 . 0 0 "[ . 1]" 1 635 1 16 PHE QR 2 43 ILE HB 2.506 2.098 2.914 2.908 2.800 2.960 0.046 5 0 "[ . 1]" 1 636 1 43 ILE HB 2 16 PHE QR 2.506 2.098 2.914 2.906 2.802 2.953 0.039 5 0 "[ . 1]" 1 637 1 16 PHE QR 2 39 LEU HB3 2.230 . 2.510 2.042 1.938 2.169 0.012 1 0 "[ . 1]" 1 638 1 39 LEU HB3 2 16 PHE QR 2.230 . 2.510 2.042 1.938 2.171 0.012 4 0 "[ . 1]" 1 639 1 16 PHE QR 2 39 LEU MD1 1.639 . 1.960 1.792 1.765 1.810 . 0 0 "[ . 1]" 1 640 1 39 LEU MD1 2 16 PHE QR 1.639 . 1.960 1.792 1.762 1.818 . 0 0 "[ . 1]" 1 641 1 16 PHE QR 2 43 ILE MD 1.727 . 2.119 2.008 1.943 2.042 . 0 0 "[ . 1]" 1 642 1 43 ILE MD 2 16 PHE QR 1.727 . 2.119 2.007 1.948 2.037 . 0 0 "[ . 1]" 1 643 1 19 TYR HA 1 19 TYR QD 2.288 . 2.593 2.517 2.451 2.602 0.009 7 0 "[ . 1]" 1 644 2 19 TYR HA 2 19 TYR QD 2.288 . 2.593 2.516 2.451 2.604 0.011 7 0 "[ . 1]" 1 645 1 19 TYR QD 2 14 ALA HA 3.156 . 6.000 4.486 4.395 4.570 . 0 0 "[ . 1]" 1 646 1 14 ALA HA 2 19 TYR QD 3.156 . 6.000 4.489 4.379 4.571 . 0 0 "[ . 1]" 1 647 1 19 TYR HB2 1 19 TYR QD 2.306 2.033 2.579 2.280 2.263 2.300 . 0 0 "[ . 1]" 1 648 2 19 TYR HB2 2 19 TYR QD 2.306 2.033 2.579 2.284 2.270 2.299 . 0 0 "[ . 1]" 1 649 1 19 TYR HB3 1 19 TYR QD 2.632 2.347 2.917 2.582 2.544 2.612 . 0 0 "[ . 1]" 1 650 2 19 TYR HB3 2 19 TYR QD 2.632 2.347 2.917 2.582 2.547 2.612 . 0 0 "[ . 1]" 1 651 1 19 TYR QD 2 15 VAL HB 3.867 3.397 4.337 4.356 4.301 4.407 0.070 6 0 "[ . 1]" 1 652 1 15 VAL HB 2 19 TYR QD 3.867 3.397 4.337 4.360 4.317 4.412 0.075 6 0 "[ . 1]" 1 653 1 19 TYR QD 2 13 LYS QB 4.645 4.242 5.048 4.240 4.160 4.313 0.082 2 0 "[ . 1]" 1 654 1 13 LYS QB 2 19 TYR QD 4.645 4.242 5.048 4.237 4.160 4.304 0.082 2 0 "[ . 1]" 1 655 1 19 TYR QD 2 15 VAL MG2 1.325 . 1.732 1.801 1.775 1.825 0.093 3 0 "[ . 1]" 1 656 1 15 VAL MG2 2 19 TYR QD 1.325 . 1.732 1.805 1.785 1.829 0.097 8 0 "[ . 1]" 1 657 1 31 TYR QE 1 37 LEU MD2 1.379 . 6.000 2.166 1.998 2.460 . 0 0 "[ . 1]" 1 658 2 31 TYR QE 2 37 LEU MD2 1.379 . 6.000 2.164 1.999 2.458 . 0 0 "[ . 1]" 1 659 1 19 TYR QE 2 15 VAL HB 2.955 . 6.000 4.299 4.222 4.385 . 0 0 "[ . 1]" 1 660 1 15 VAL HB 2 19 TYR QE 2.955 . 6.000 4.302 4.231 4.382 . 0 0 "[ . 1]" 1 661 1 50 TYR QB 1 50 TYR QD 1.990 . 2.211 2.113 2.104 2.126 . 0 0 "[ . 1]" 1 662 2 50 TYR QB 2 50 TYR QD 1.990 . 2.211 2.113 2.105 2.120 . 0 0 "[ . 1]" 1 663 1 50 TYR HA 1 50 TYR QD 2.339 2.039 2.639 2.548 2.390 2.651 0.012 1 0 "[ . 1]" 1 664 2 50 TYR HA 2 50 TYR QD 2.339 2.039 2.639 2.548 2.395 2.650 0.011 2 0 "[ . 1]" 1 665 1 50 TYR QD 1 51 LEU MD2 1.907 . 6.000 2.901 2.723 2.956 . 0 0 "[ . 1]" 1 666 2 50 TYR QD 2 51 LEU MD2 1.907 . 6.000 2.901 2.722 2.954 . 0 0 "[ . 1]" 1 667 1 50 TYR QD 1 51 LEU MD1 1.347 . 6.000 2.577 2.400 2.780 . 0 0 "[ . 1]" 1 668 2 50 TYR QD 2 51 LEU MD1 1.347 . 6.000 2.577 2.401 2.780 . 0 0 "[ . 1]" 1 669 1 50 TYR QE 2 31 TYR QD 2.171 . 6.000 3.116 2.893 3.322 . 0 0 "[ . 1]" 1 670 1 31 TYR QD 2 50 TYR QE 2.171 . 6.000 3.116 2.892 3.322 . 0 0 "[ . 1]" 1 671 1 50 TYR QE 2 31 TYR QE 2.213 . 6.000 2.868 2.656 3.107 . 0 0 "[ . 1]" 1 672 1 31 TYR QE 2 50 TYR QE 2.213 . 6.000 2.865 2.654 3.102 . 0 0 "[ . 1]" 1 673 1 50 TYR QE 2 42 ALA HA 2.992 2.575 3.409 3.528 3.483 3.588 0.179 1 0 "[ . 1]" 1 674 1 42 ALA HA 2 50 TYR QE 2.992 2.575 3.409 3.532 3.491 3.592 0.183 1 0 "[ . 1]" 1 675 1 50 TYR QE 1 54 ARG HD2 3.677 3.279 4.075 4.130 4.101 4.190 0.115 5 0 "[ . 1]" 1 676 2 50 TYR QE 2 54 ARG HD2 3.677 3.279 4.075 4.129 4.098 4.183 0.108 5 0 "[ . 1]" 1 677 1 50 TYR QE 1 51 LEU MD1 1.725 . 6.000 3.225 3.139 3.383 . 0 0 "[ . 1]" 1 678 2 50 TYR QE 2 51 LEU MD1 1.725 . 6.000 3.226 3.140 3.383 . 0 0 "[ . 1]" 1 679 1 19 TYR HA 2 15 VAL HA 2.112 . 2.303 2.299 2.242 2.332 0.029 8 0 "[ . 1]" 1 680 1 15 VAL HA 2 19 TYR HA 2.112 . 2.303 2.302 2.248 2.344 0.041 8 0 "[ . 1]" 1 681 1 19 TYR HA 1 19 TYR HB2 2.895 2.609 3.181 3.029 3.027 3.031 . 0 0 "[ . 1]" 1 682 2 19 TYR HA 2 19 TYR HB2 2.895 2.609 3.181 3.029 3.028 3.031 . 0 0 "[ . 1]" 1 683 1 19 TYR HA 1 19 TYR HB3 2.339 2.059 2.619 2.470 2.457 2.483 . 0 0 "[ . 1]" 1 684 2 19 TYR HA 2 19 TYR HB3 2.339 2.059 2.619 2.470 2.460 2.482 . 0 0 "[ . 1]" 1 685 1 19 TYR HA 2 15 VAL MG2 . 2.670 3.904 3.672 3.599 3.736 . 0 0 "[ . 1]" 1 686 1 15 VAL MG2 2 19 TYR HA . 2.670 3.904 3.674 3.600 3.745 . 0 0 "[ . 1]" 1 687 1 19 TYR HA 2 15 VAL MG1 2.399 2.342 3.458 3.332 3.242 3.409 . 0 0 "[ . 1]" 1 688 1 15 VAL MG1 2 19 TYR HA 2.399 2.342 3.458 3.333 3.240 3.413 . 0 0 "[ . 1]" 1 689 1 35 ASN HA 1 35 ASN HB2 2.814 2.558 3.070 3.022 3.018 3.025 . 0 0 "[ . 1]" 1 690 2 35 ASN HA 2 35 ASN HB2 2.814 2.558 3.070 3.021 3.017 3.025 . 0 0 "[ . 1]" 1 691 1 14 ALA HA 1 15 VAL MG1 3.647 . 6.000 5.358 5.312 5.388 . 0 0 "[ . 1]" 1 692 2 14 ALA HA 2 15 VAL MG1 3.647 . 6.000 5.358 5.313 5.386 . 0 0 "[ . 1]" 1 693 1 13 LYS QB 1 14 ALA HA 3.091 . 6.000 4.244 4.119 4.483 . 0 0 "[ . 1]" 1 694 2 13 LYS QB 2 14 ALA HA 3.091 . 6.000 4.244 4.121 4.478 . 0 0 "[ . 1]" 1 695 1 13 LYS QG 1 14 ALA HA 2.603 . 6.000 3.938 3.686 4.860 . 0 0 "[ . 1]" 1 696 2 13 LYS QG 2 14 ALA HA 2.603 . 6.000 3.937 3.682 4.851 . 0 0 "[ . 1]" 1 697 1 14 ALA HA 1 15 VAL HA 3.375 . 6.000 4.395 4.337 4.425 . 0 0 "[ . 1]" 1 698 2 14 ALA HA 2 15 VAL HA 3.375 . 6.000 4.395 4.333 4.426 . 0 0 "[ . 1]" 1 699 1 23 ASP HA 1 26 THR HB 2.202 . 2.444 2.441 2.306 2.520 0.076 8 0 "[ . 1]" 1 700 2 23 ASP HA 2 26 THR HB 2.202 . 2.444 2.442 2.305 2.518 0.074 8 0 "[ . 1]" 1 701 1 23 ASP HA 1 26 THR MG 2.352 . 6.000 3.563 3.392 3.707 . 0 0 "[ . 1]" 1 702 2 23 ASP HA 2 26 THR MG 2.352 . 6.000 3.565 3.392 3.708 . 0 0 "[ . 1]" 1 703 1 21 ASP HA 1 21 ASP HB3 2.392 2.133 2.651 2.621 2.524 2.661 0.010 7 0 "[ . 1]" 1 704 2 21 ASP HA 2 21 ASP HB3 2.392 2.133 2.651 2.622 2.531 2.657 0.006 7 0 "[ . 1]" 1 705 1 15 VAL HA 1 15 VAL HB 2.730 2.404 3.056 2.981 2.974 2.987 . 0 0 "[ . 1]" 1 706 2 15 VAL HA 2 15 VAL HB 2.730 2.404 3.056 2.981 2.977 2.985 . 0 0 "[ . 1]" 1 707 1 15 VAL HA 1 15 VAL MG1 1.694 . 6.000 2.246 2.234 2.266 . 0 0 "[ . 1]" 1 708 2 15 VAL HA 2 15 VAL MG1 1.694 . 6.000 2.246 2.232 2.265 . 0 0 "[ . 1]" 1 709 1 38 GLN HA 1 38 GLN HG2 2.363 2.119 2.607 2.576 2.504 2.622 0.015 7 0 "[ . 1]" 1 710 2 38 GLN HA 2 38 GLN HG2 2.363 2.119 2.607 2.579 2.507 2.628 0.021 7 0 "[ . 1]" 1 711 1 38 GLN HA 1 38 GLN QB 2.359 2.111 2.607 2.368 2.352 2.385 . 0 0 "[ . 1]" 1 712 2 38 GLN HA 2 38 GLN QB 2.359 2.111 2.607 2.368 2.353 2.382 . 0 0 "[ . 1]" 1 713 1 38 GLN HA 1 38 GLN HG3 2.713 2.463 2.963 3.039 2.990 3.064 0.101 4 0 "[ . 1]" 1 714 2 38 GLN HA 2 38 GLN HG3 2.713 2.463 2.963 3.040 2.997 3.059 0.096 4 0 "[ . 1]" 1 715 1 33 ALA HA 1 36 ASN HA 3.293 2.909 3.677 3.282 3.207 3.423 . 0 0 "[ . 1]" 1 716 2 33 ALA HA 2 36 ASN HA 3.293 2.909 3.677 3.282 3.201 3.420 . 0 0 "[ . 1]" 1 717 1 36 ASN HA 1 36 ASN HB3 2.545 2.307 2.783 2.573 2.531 2.627 . 0 0 "[ . 1]" 1 718 2 36 ASN HA 2 36 ASN HB3 2.545 2.307 2.783 2.573 2.530 2.625 . 0 0 "[ . 1]" 1 719 1 26 THR HA 1 26 THR HB 2.513 . 6.000 3.022 3.015 3.028 . 0 0 "[ . 1]" 1 720 2 26 THR HA 2 26 THR HB 2.513 . 6.000 3.022 3.015 3.030 . 0 0 "[ . 1]" 1 721 1 51 LEU MD1 1 56 GLY HA2 2.508 . 6.000 2.292 1.981 2.708 . 0 0 "[ . 1]" 1 722 2 51 LEU MD1 2 56 GLY HA2 2.508 . 6.000 2.292 1.974 2.718 . 0 0 "[ . 1]" 1 723 1 39 LEU HA 1 39 LEU MD1 . . 1.921 1.880 1.846 1.918 . 0 0 "[ . 1]" 1 724 2 39 LEU HA 2 39 LEU MD1 . . 1.921 1.879 1.851 1.918 . 0 0 "[ . 1]" 1 725 1 18 ILE HA 2 40 THR MG 3.359 2.882 3.836 3.861 3.851 3.884 0.048 8 0 "[ . 1]" 1 726 1 40 THR MG 2 18 ILE HA 3.359 2.882 3.836 3.859 3.845 3.887 0.051 8 0 "[ . 1]" 1 727 1 33 ALA HA 1 34 LYS HA 3.861 . 6.000 4.741 4.698 4.765 . 0 0 "[ . 1]" 1 728 2 33 ALA HA 2 34 LYS HA 3.861 . 6.000 4.739 4.698 4.767 . 0 0 "[ . 1]" 1 729 1 41 GLN HA 1 41 GLN QG 2.611 2.329 2.893 2.400 2.294 2.455 0.035 10 0 "[ . 1]" 1 730 2 41 GLN HA 2 41 GLN QG 2.611 2.329 2.893 2.399 2.294 2.456 0.035 10 0 "[ . 1]" 1 731 1 41 GLN HA 1 41 GLN HB2 2.603 2.268 2.938 2.523 2.483 2.555 . 0 0 "[ . 1]" 1 732 2 41 GLN HA 2 41 GLN HB2 2.603 2.268 2.938 2.523 2.484 2.555 . 0 0 "[ . 1]" 1 733 1 50 TYR HA 2 46 ALA HA 3.884 3.484 4.284 3.913 3.758 4.064 . 0 0 "[ . 1]" 1 734 1 46 ALA HA 2 50 TYR HA 3.884 3.484 4.284 3.913 3.760 4.061 . 0 0 "[ . 1]" 1 735 1 50 TYR HA 1 50 TYR QB 2.226 . 2.456 2.300 2.284 2.316 . 0 0 "[ . 1]" 1 736 2 50 TYR HA 2 50 TYR QB 2.226 . 2.456 2.301 2.283 2.318 . 0 0 "[ . 1]" 1 737 1 50 TYR HA 1 53 LYS HB2 3.299 2.950 3.648 3.505 3.322 3.653 0.005 5 0 "[ . 1]" 1 738 2 50 TYR HA 2 53 LYS HB2 3.299 2.950 3.648 3.505 3.324 3.650 0.002 5 0 "[ . 1]" 1 739 1 54 ARG HA 1 54 ARG HD2 2.803 2.409 3.197 2.524 2.375 2.684 0.034 5 0 "[ . 1]" 1 740 2 54 ARG HA 2 54 ARG HD2 2.803 2.409 3.197 2.522 2.382 2.687 0.027 5 0 "[ . 1]" 1 741 1 54 ARG HA 1 54 ARG HG3 2.291 2.028 2.554 2.406 2.350 2.527 . 0 0 "[ . 1]" 1 742 2 54 ARG HA 2 54 ARG HG3 2.291 2.028 2.554 2.407 2.348 2.528 . 0 0 "[ . 1]" 1 743 1 40 THR HA 1 41 GLN HA 4.849 4.072 5.626 4.832 4.812 4.860 . 0 0 "[ . 1]" 1 744 2 40 THR HA 2 41 GLN HA 4.849 4.072 5.626 4.833 4.807 4.859 . 0 0 "[ . 1]" 1 745 1 52 GLN HA 1 52 GLN HG3 2.636 2.310 2.962 2.334 2.274 2.417 0.036 5 0 "[ . 1]" 1 746 2 52 GLN HA 2 52 GLN HG3 2.636 2.310 2.962 2.333 2.273 2.411 0.037 5 0 "[ . 1]" 1 747 1 52 GLN HA 1 52 GLN HB2 3.004 2.704 3.304 2.980 2.960 2.997 . 0 0 "[ . 1]" 1 748 2 52 GLN HA 2 52 GLN HB2 3.004 2.704 3.304 2.980 2.960 2.997 . 0 0 "[ . 1]" 1 749 1 52 GLN HA 1 52 GLN HB3 2.739 2.461 3.017 2.655 2.606 2.705 . 0 0 "[ . 1]" 1 750 2 52 GLN HA 2 52 GLN HB3 2.739 2.461 3.017 2.656 2.608 2.709 . 0 0 "[ . 1]" 1 751 1 31 TYR HA 1 31 TYR HB3 2.837 2.555 3.119 3.026 3.023 3.029 . 0 0 "[ . 1]" 1 752 2 31 TYR HA 2 31 TYR HB3 2.837 2.555 3.119 3.025 3.022 3.027 . 0 0 "[ . 1]" 1 753 1 30 VAL MG1 1 31 TYR HA 2.341 . 6.000 3.645 3.618 3.687 . 0 0 "[ . 1]" 1 754 2 30 VAL MG1 2 31 TYR HA 2.341 . 6.000 3.644 3.614 3.678 . 0 0 "[ . 1]" 1 755 1 49 GLU HA 1 49 GLU HG2 3.393 3.079 3.707 3.094 2.740 3.634 0.339 8 0 "[ . 1]" 1 756 2 49 GLU HA 2 49 GLU HG2 3.393 3.079 3.707 3.093 2.734 3.631 0.345 8 0 "[ . 1]" 1 757 1 49 GLU HA 1 49 GLU HG3 2.750 2.473 3.027 2.693 2.325 3.418 0.391 9 0 "[ . 1]" 1 758 2 49 GLU HA 2 49 GLU HG3 2.750 2.473 3.027 2.691 2.326 3.413 0.386 9 0 "[ . 1]" 1 759 1 45 GLU HA 1 45 GLU HG2 2.936 2.588 3.284 2.916 2.640 3.155 . 0 0 "[ . 1]" 1 760 2 45 GLU HA 2 45 GLU HG2 2.936 2.588 3.284 2.920 2.639 3.146 . 0 0 "[ . 1]" 1 761 1 45 GLU HA 1 45 GLU QB 2.308 2.081 2.535 2.403 2.369 2.461 . 0 0 "[ . 1]" 1 762 2 45 GLU HA 2 45 GLU QB 2.308 2.081 2.535 2.403 2.369 2.463 . 0 0 "[ . 1]" 1 763 1 45 GLU HA 1 48 LYS HB3 2.197 . 2.474 2.386 2.303 2.482 0.008 8 0 "[ . 1]" 1 764 2 45 GLU HA 2 48 LYS HB3 2.197 . 2.474 2.387 2.299 2.484 0.010 8 0 "[ . 1]" 1 765 1 26 THR HA 1 27 ARG HA 4.240 3.669 4.811 4.848 4.832 4.875 0.064 2 0 "[ . 1]" 1 766 2 26 THR HA 2 27 ARG HA 4.240 3.669 4.811 4.849 4.833 4.876 0.065 2 0 "[ . 1]" 1 767 1 32 CYS HA 1 32 CYS HB3 2.419 2.173 2.665 2.467 2.455 2.491 . 0 0 "[ . 1]" 1 768 2 32 CYS HA 2 32 CYS HB3 2.419 2.173 2.665 2.466 2.458 2.493 . 0 0 "[ . 1]" 1 769 1 29 LYS HA 1 39 LEU MD2 1.739 . 2.081 2.086 2.065 2.102 0.021 10 0 "[ . 1]" 1 770 2 29 LYS HA 2 39 LEU MD2 1.739 . 2.081 2.084 2.057 2.097 0.016 3 0 "[ . 1]" 1 771 1 28 LEU MD1 1 29 LYS HA 2.215 . 6.000 3.094 3.022 3.123 . 0 0 "[ . 1]" 1 772 2 28 LEU MD1 2 29 LYS HA 2.215 . 6.000 3.094 3.023 3.124 . 0 0 "[ . 1]" 1 773 1 32 CYS HA 1 37 LEU HB2 2.131 . 2.414 2.199 2.138 2.250 . 0 0 "[ . 1]" 1 774 2 32 CYS HA 2 37 LEU HB2 2.131 . 2.414 2.199 2.140 2.249 . 0 0 "[ . 1]" 1 775 1 40 THR HA 1 43 ILE HB 2.390 2.075 2.705 2.567 2.505 2.602 . 0 0 "[ . 1]" 1 776 2 40 THR HA 2 43 ILE HB 2.390 2.075 2.705 2.569 2.507 2.606 . 0 0 "[ . 1]" 1 777 1 40 THR HA 1 40 THR MG 1.674 . 6.000 2.313 2.284 2.340 . 0 0 "[ . 1]" 1 778 2 40 THR HA 2 40 THR MG 1.674 . 6.000 2.312 2.287 2.333 . 0 0 "[ . 1]" 1 779 1 40 THR HA 1 43 ILE MD 2.090 . 6.000 3.285 3.241 3.323 . 0 0 "[ . 1]" 1 780 2 40 THR HA 2 43 ILE MD 2.090 . 6.000 3.287 3.237 3.330 . 0 0 "[ . 1]" 1 781 1 26 THR HA 1 29 LYS QD 3.747 3.373 4.121 3.737 3.510 3.865 . 0 0 "[ . 1]" 1 782 2 26 THR HA 2 29 LYS QD 3.747 3.373 4.121 3.738 3.503 3.868 . 0 0 "[ . 1]" 1 783 1 26 THR HA 1 30 VAL MG2 2.690 . 6.000 4.094 4.046 4.171 . 0 0 "[ . 1]" 1 784 2 26 THR HA 2 30 VAL MG2 2.690 . 6.000 4.094 4.046 4.171 . 0 0 "[ . 1]" 1 785 1 26 THR HA 1 29 LYS QB 2.361 2.073 2.649 2.025 1.943 2.140 0.130 8 0 "[ . 1]" 1 786 2 26 THR HA 2 29 LYS QB 2.361 2.073 2.649 2.024 1.945 2.140 0.128 8 0 "[ . 1]" 1 787 1 48 LYS HA 1 48 LYS HB3 2.427 . 6.000 3.018 3.010 3.023 . 0 0 "[ . 1]" 1 788 2 48 LYS HA 2 48 LYS HB3 2.427 . 6.000 3.019 3.011 3.023 . 0 0 "[ . 1]" 1 789 1 22 LYS HA 1 22 LYS QB 2.193 . 2.412 2.330 2.320 2.339 . 0 0 "[ . 1]" 1 790 2 22 LYS HA 2 22 LYS QB 2.193 . 2.412 2.330 2.321 2.336 . 0 0 "[ . 1]" 1 791 1 48 LYS HA 2 24 LEU QD 1.669 . 2.019 2.112 2.059 2.194 0.175 4 0 "[ . 1]" 1 792 1 24 LEU QD 2 48 LYS HA 1.669 . 2.019 2.116 2.054 2.198 0.179 9 0 "[ . 1]" 1 793 1 47 ILE MG 1 48 LYS HA 2.133 . 6.000 3.313 3.211 3.413 . 0 0 "[ . 1]" 1 794 2 47 ILE MG 2 48 LYS HA 2.133 . 6.000 3.315 3.212 3.409 . 0 0 "[ . 1]" 1 795 1 48 LYS HA 1 51 LEU MD2 2.078 . 6.000 3.153 3.011 3.263 . 0 0 "[ . 1]" 1 796 2 48 LYS HA 2 51 LEU MD2 2.078 . 6.000 3.153 3.010 3.260 . 0 0 "[ . 1]" 1 797 1 30 VAL HA 1 30 VAL HB 2.605 2.283 2.927 3.004 2.999 3.006 0.079 10 0 "[ . 1]" 1 798 2 30 VAL HA 2 30 VAL HB 2.605 2.283 2.927 3.004 3.002 3.006 0.079 10 0 "[ . 1]" 1 799 1 30 VAL HA 1 33 ALA MB 1.684 . 6.000 2.348 2.245 2.467 . 0 0 "[ . 1]" 1 800 2 30 VAL HA 2 33 ALA MB 1.684 . 6.000 2.349 2.247 2.471 . 0 0 "[ . 1]" 1 801 1 29 LYS QG 1 30 VAL HA 5.306 . 6.000 4.554 4.321 4.677 . 0 0 "[ . 1]" 1 802 2 29 LYS QG 2 30 VAL HA 5.306 . 6.000 4.553 4.320 4.673 . 0 0 "[ . 1]" 1 803 1 30 VAL HA 1 30 VAL MG2 1.614 . 6.000 2.356 2.333 2.398 . 0 0 "[ . 1]" 1 804 2 30 VAL HA 2 30 VAL MG2 1.614 . 6.000 2.356 2.332 2.398 . 0 0 "[ . 1]" 1 805 1 44 GLU HA 1 44 GLU HB2 2.762 2.465 3.059 3.021 3.015 3.026 . 0 0 "[ . 1]" 1 806 2 44 GLU HA 2 44 GLU HB2 2.762 2.465 3.059 3.020 3.015 3.023 . 0 0 "[ . 1]" 1 807 1 44 GLU HA 1 44 GLU HG3 2.432 . 6.000 3.090 3.065 3.128 . 0 0 "[ . 1]" 1 808 2 44 GLU HA 2 44 GLU HG3 2.432 . 6.000 3.092 3.077 3.115 . 0 0 "[ . 1]" 1 809 1 43 ILE MG 1 44 GLU HA 1.897 . 6.000 2.720 2.673 2.750 . 0 0 "[ . 1]" 1 810 2 43 ILE MG 2 44 GLU HA 1.897 . 6.000 2.722 2.678 2.746 . 0 0 "[ . 1]" 1 811 1 44 GLU HA 1 47 ILE MG 1.431 . 1.751 1.823 1.775 1.861 0.110 2 0 "[ . 1]" 1 812 2 44 GLU HA 2 47 ILE MG 1.431 . 1.751 1.822 1.773 1.858 0.107 2 0 "[ . 1]" 1 813 1 25 LYS HA 1 28 LEU HB2 3.059 . 6.000 3.696 3.635 3.846 . 0 0 "[ . 1]" 1 814 2 25 LYS HA 2 28 LEU HB2 3.059 . 6.000 3.694 3.632 3.844 . 0 0 "[ . 1]" 1 815 1 25 LYS HA 1 28 LEU HB3 2.666 2.282 3.050 3.024 2.988 3.084 0.034 8 0 "[ . 1]" 1 816 2 25 LYS HA 2 28 LEU HB3 2.666 2.282 3.050 3.022 2.981 3.085 0.035 8 0 "[ . 1]" 1 817 1 25 LYS HA 1 25 LYS HG2 2.559 2.245 2.873 2.876 2.800 2.915 0.042 5 0 "[ . 1]" 1 818 2 25 LYS HA 2 25 LYS HG2 2.559 2.245 2.873 2.876 2.798 2.914 0.041 5 0 "[ . 1]" 1 819 1 25 LYS HA 1 25 LYS HG3 2.294 2.003 2.585 2.585 2.531 2.629 0.044 4 0 "[ . 1]" 1 820 2 25 LYS HA 2 25 LYS HG3 2.294 2.003 2.585 2.585 2.530 2.630 0.045 4 0 "[ . 1]" 1 821 1 51 LEU HA 1 54 ARG HB2 3.441 3.007 3.875 3.294 3.133 3.462 . 0 0 "[ . 1]" 1 822 2 51 LEU HA 2 54 ARG HB2 3.441 3.007 3.875 3.294 3.134 3.460 . 0 0 "[ . 1]" 1 823 1 51 LEU HA 1 51 LEU HB2 2.644 2.341 2.947 2.957 2.950 2.963 0.016 5 0 "[ . 1]" 1 824 2 51 LEU HA 2 51 LEU HB2 2.644 2.341 2.947 2.957 2.952 2.964 0.017 5 0 "[ . 1]" 1 825 1 51 LEU HA 1 51 LEU HB3 2.328 2.034 2.622 2.669 2.658 2.684 0.062 4 0 "[ . 1]" 1 826 2 51 LEU HA 2 51 LEU HB3 2.328 2.034 2.622 2.668 2.658 2.682 0.060 1 0 "[ . 1]" 1 827 1 47 ILE HA 1 50 TYR QB 2.107 . 2.371 2.173 2.118 2.230 . 0 0 "[ . 1]" 1 828 2 47 ILE HA 2 50 TYR QB 2.107 . 2.371 2.174 2.116 2.234 . 0 0 "[ . 1]" 1 829 1 47 ILE HA 1 47 ILE HB 2.427 2.033 2.821 2.462 2.431 2.505 . 0 0 "[ . 1]" 1 830 2 47 ILE HA 2 47 ILE HB 2.427 2.033 2.821 2.463 2.431 2.506 . 0 0 "[ . 1]" 1 831 1 51 LEU HA 1 51 LEU HG 2.630 . 6.000 3.381 3.357 3.416 . 0 0 "[ . 1]" 1 832 2 51 LEU HA 2 51 LEU HG 2.630 . 6.000 3.381 3.355 3.413 . 0 0 "[ . 1]" 1 833 1 47 ILE HA 1 47 ILE MG 2.063 . 6.000 3.208 3.202 3.213 . 0 0 "[ . 1]" 1 834 2 47 ILE HA 2 47 ILE MG 2.063 . 6.000 3.208 3.204 3.215 . 0 0 "[ . 1]" 1 835 1 27 ARG HB2 1 27 ARG QD 3.438 . 6.000 2.901 2.824 3.003 . 0 0 "[ . 1]" 1 836 2 27 ARG HB2 2 27 ARG QD 3.438 . 6.000 2.901 2.817 3.005 . 0 0 "[ . 1]" 1 837 1 27 ARG QD 1 27 ARG HG2 2.388 2.103 2.673 2.353 2.321 2.385 . 0 0 "[ . 1]" 1 838 2 27 ARG QD 2 27 ARG HG2 2.388 2.103 2.673 2.353 2.320 2.385 . 0 0 "[ . 1]" 1 839 1 27 ARG HB3 1 27 ARG QD 3.768 3.385 4.151 3.505 3.486 3.524 . 0 0 "[ . 1]" 1 840 2 27 ARG HB3 2 27 ARG QD 3.768 3.385 4.151 3.505 3.483 3.523 . 0 0 "[ . 1]" 1 841 1 27 ARG QD 1 27 ARG HG3 2.233 . 2.519 2.179 2.174 2.182 . 0 0 "[ . 1]" 1 842 2 27 ARG QD 2 27 ARG HG3 2.233 . 2.519 2.178 2.172 2.182 . 0 0 "[ . 1]" 1 843 1 28 LEU MD2 1 31 TYR HB2 2.793 2.353 3.233 3.048 2.987 3.132 . 0 0 "[ . 1]" 1 844 2 28 LEU MD2 2 31 TYR HB2 2.793 2.353 3.233 3.048 2.988 3.137 . 0 0 "[ . 1]" 1 845 1 31 TYR HB3 2 51 LEU MD1 1.820 . 6.000 2.794 2.674 2.946 . 0 0 "[ . 1]" 1 846 1 51 LEU MD1 2 31 TYR HB3 1.820 . 6.000 2.791 2.679 2.941 . 0 0 "[ . 1]" 1 847 1 48 LYS QE 1 51 LEU MD2 2.161 . 6.000 3.565 3.137 4.155 . 0 0 "[ . 1]" 1 848 2 48 LYS QE 2 51 LEU MD2 2.161 . 6.000 3.566 3.138 4.160 . 0 0 "[ . 1]" 1 849 1 13 LYS QE 1 13 LYS QG 2.789 2.469 3.109 2.363 2.199 2.415 0.270 4 0 "[ . 1]" 1 850 2 13 LYS QE 2 13 LYS QG 2.789 2.469 3.109 2.362 2.200 2.413 0.269 4 0 "[ . 1]" 1 851 1 49 GLU QB 1 49 GLU HG2 2.430 2.181 2.679 2.223 2.151 2.271 0.030 2 0 "[ . 1]" 1 852 2 49 GLU QB 2 49 GLU HG2 2.430 2.181 2.679 2.223 2.151 2.269 0.030 2 0 "[ . 1]" 1 853 1 35 ASN HB2 1 37 LEU MD2 2.177 . 6.000 3.014 2.795 3.095 . 0 0 "[ . 1]" 1 854 2 35 ASN HB2 2 37 LEU MD2 2.177 . 6.000 3.014 2.806 3.094 . 0 0 "[ . 1]" 1 855 1 35 ASN HB2 1 37 LEU HB2 2.447 2.093 2.801 2.524 2.480 2.648 . 0 0 "[ . 1]" 1 856 2 35 ASN HB2 2 37 LEU HB2 2.447 2.093 2.801 2.524 2.483 2.644 . 0 0 "[ . 1]" 1 857 1 19 TYR HB3 2 40 THR MG 3.279 . 6.000 4.553 4.464 4.739 . 0 0 "[ . 1]" 1 858 1 40 THR MG 2 19 TYR HB3 3.279 . 6.000 4.548 4.462 4.722 . 0 0 "[ . 1]" 1 859 1 44 GLU HB2 1 44 GLU HG2 3.069 2.714 3.424 3.003 3.000 3.005 . 0 0 "[ . 1]" 1 860 2 44 GLU HB2 2 44 GLU HG2 3.069 2.714 3.424 3.003 3.001 3.005 . 0 0 "[ . 1]" 1 861 1 20 MET HB3 1 20 MET HG2 2.559 2.199 2.919 2.500 2.258 2.549 . 0 0 "[ . 1]" 1 862 2 20 MET HB3 2 20 MET HG2 2.559 2.199 2.919 2.499 2.255 2.546 . 0 0 "[ . 1]" 1 863 1 20 MET HG2 1 25 LYS HD3 2.520 2.139 2.901 2.732 2.643 2.812 . 0 0 "[ . 1]" 1 864 2 20 MET HG2 2 25 LYS HD3 2.520 2.139 2.901 2.735 2.653 2.812 . 0 0 "[ . 1]" 1 865 1 54 ARG HD2 1 54 ARG HG3 2.552 2.220 2.884 2.348 2.323 2.393 . 0 0 "[ . 1]" 1 866 2 54 ARG HD2 2 54 ARG HG3 2.552 2.220 2.884 2.348 2.321 2.390 . 0 0 "[ . 1]" 1 867 1 25 LYS HD3 1 25 LYS HE2 2.819 2.493 3.145 3.018 3.014 3.023 . 0 0 "[ . 1]" 1 868 2 25 LYS HD3 2 25 LYS HE2 2.819 2.493 3.145 3.019 3.015 3.022 . 0 0 "[ . 1]" 1 869 1 25 LYS HE2 1 25 LYS HG2 2.386 2.012 2.760 2.330 2.275 2.365 . 0 0 "[ . 1]" 1 870 2 25 LYS HE2 2 25 LYS HG2 2.386 2.012 2.760 2.326 2.267 2.361 . 0 0 "[ . 1]" 1 871 1 38 GLN QB 1 38 GLN HG2 2.350 2.143 2.557 2.320 2.303 2.343 . 0 0 "[ . 1]" 1 872 2 38 GLN QB 2 38 GLN HG2 2.350 2.143 2.557 2.321 2.301 2.342 . 0 0 "[ . 1]" 1 873 1 52 GLN HB3 1 52 GLN HG2 2.909 . 6.000 2.355 2.302 2.398 . 0 0 "[ . 1]" 1 874 2 52 GLN HB3 2 52 GLN HG2 2.909 . 6.000 2.355 2.305 2.397 . 0 0 "[ . 1]" 1 875 1 49 GLU QB 1 49 GLU HG3 2.425 2.183 2.667 2.371 2.126 2.481 0.057 10 0 "[ . 1]" 1 876 2 49 GLU QB 2 49 GLU HG3 2.425 2.183 2.667 2.370 2.126 2.481 0.057 10 0 "[ . 1]" 1 877 1 54 ARG HB2 1 54 ARG HD3 1.994 . 2.219 2.182 2.124 2.221 0.002 4 0 "[ . 1]" 1 878 2 54 ARG HB2 2 54 ARG HD3 1.994 . 2.219 2.182 2.127 2.222 0.003 4 0 "[ . 1]" 1 879 1 44 GLU HG3 2 18 ILE HG13 2.727 . 6.000 5.630 5.577 5.734 . 0 0 "[ . 1]" 1 880 1 18 ILE HG13 2 44 GLU HG3 2.727 . 6.000 5.636 5.584 5.737 . 0 0 "[ . 1]" 1 881 1 25 LYS QB 1 25 LYS HG2 2.382 2.078 2.686 2.383 2.370 2.395 . 0 0 "[ . 1]" 1 882 2 25 LYS QB 2 25 LYS HG2 2.382 2.078 2.686 2.383 2.370 2.396 . 0 0 "[ . 1]" 1 883 1 25 LYS QB 1 25 LYS HG3 2.187 . 2.475 2.289 2.272 2.303 . 0 0 "[ . 1]" 1 884 2 25 LYS QB 2 25 LYS HG3 2.187 . 2.475 2.289 2.275 2.304 . 0 0 "[ . 1]" 1 885 1 35 ASN HB3 1 37 LEU MD2 2.538 . 6.000 3.446 3.225 3.561 . 0 0 "[ . 1]" 1 886 2 35 ASN HB3 2 37 LEU MD2 2.538 . 6.000 3.447 3.233 3.555 . 0 0 "[ . 1]" 1 887 1 51 LEU HB3 1 51 LEU HG 2.383 . 2.793 2.226 2.220 2.235 . 0 0 "[ . 1]" 1 888 2 51 LEU HB3 2 51 LEU HG 2.383 . 2.793 2.226 2.222 2.235 . 0 0 "[ . 1]" 1 889 1 20 MET ME 1 25 LYS HG2 2.926 . 6.000 3.670 3.566 3.737 . 0 0 "[ . 1]" 1 890 2 20 MET ME 2 25 LYS HG2 2.926 . 6.000 3.671 3.571 3.739 . 0 0 "[ . 1]" 1 891 1 25 LYS HD2 1 25 LYS HG2 2.344 2.076 2.612 2.631 2.622 2.637 0.025 2 0 "[ . 1]" 1 892 2 25 LYS HD2 2 25 LYS HG2 2.344 2.076 2.612 2.631 2.619 2.638 0.026 10 0 "[ . 1]" 1 893 1 24 LEU HG 2 47 ILE MG 1.952 . 6.000 2.949 2.485 3.221 . 0 0 "[ . 1]" 1 894 1 47 ILE MG 2 24 LEU HG 1.952 . 6.000 2.949 2.484 3.219 . 0 0 "[ . 1]" 1 895 1 30 VAL MG2 1 33 ALA MB 2.181 . 6.000 3.775 3.636 3.862 . 0 0 "[ . 1]" 1 896 2 30 VAL MG2 2 33 ALA MB 2.181 . 6.000 3.775 3.629 3.861 . 0 0 "[ . 1]" 1 897 1 29 LYS QG 1 39 LEU MD2 2.187 . 2.628 2.259 2.035 2.533 . 0 0 "[ . 1]" 1 898 2 29 LYS QG 2 39 LEU MD2 2.187 . 2.628 2.259 2.041 2.535 . 0 0 "[ . 1]" 1 899 1 18 ILE MD 1 18 ILE HG12 1.744 . 2.081 2.109 2.106 2.111 0.030 4 0 "[ . 1]" 1 900 2 18 ILE MD 2 18 ILE HG12 1.744 . 2.081 2.108 2.106 2.110 0.029 4 0 "[ . 1]" 1 901 1 51 LEU HB3 1 51 LEU MD2 2.191 . 6.000 3.024 3.007 3.037 . 0 0 "[ . 1]" 1 902 2 51 LEU HB3 2 51 LEU MD2 2.191 . 6.000 3.023 3.004 3.039 . 0 0 "[ . 1]" 1 903 1 28 LEU MD1 2 51 LEU MD1 1.768 . 6.000 4.142 4.010 4.253 . 0 0 "[ . 1]" 1 904 1 51 LEU MD1 2 28 LEU MD1 1.768 . 6.000 4.140 4.015 4.245 . 0 0 "[ . 1]" 1 905 1 19 TYR QE 2 14 ALA HA 3.588 . 6.000 5.972 5.838 6.043 0.043 2 0 "[ . 1]" 1 906 1 14 ALA HA 2 19 TYR QE 3.588 . 6.000 5.973 5.818 6.046 0.046 2 0 "[ . 1]" 1 907 1 50 TYR QE 1 51 LEU MD2 2.909 . 6.000 4.367 4.102 4.454 . 0 0 "[ . 1]" 1 908 2 50 TYR QE 2 51 LEU MD2 2.909 . 6.000 4.367 4.107 4.455 . 0 0 "[ . 1]" 1 909 1 50 TYR QE 2 28 LEU MD1 2.580 . 6.000 4.002 3.897 4.102 . 0 0 "[ . 1]" 1 910 1 28 LEU MD1 2 50 TYR QE 2.580 . 6.000 4.004 3.908 4.096 . 0 0 "[ . 1]" 1 911 1 50 TYR QE 2 37 LEU MD2 2.986 . 6.000 4.102 3.921 4.236 . 0 0 "[ . 1]" 1 912 1 37 LEU MD2 2 50 TYR QE 2.986 . 6.000 4.104 3.924 4.241 . 0 0 "[ . 1]" 1 913 1 50 TYR QE 2 28 LEU HA 4.120 3.247 4.993 4.982 4.828 5.051 0.058 3 0 "[ . 1]" 1 914 1 28 LEU HA 2 50 TYR QE 4.120 3.247 4.993 4.982 4.830 5.053 0.060 3 0 "[ . 1]" 1 915 1 19 TYR HA 1 19 TYR QE 4.089 3.488 4.690 4.540 4.527 4.554 . 0 0 "[ . 1]" 1 916 2 19 TYR HA 2 19 TYR QE 4.089 3.488 4.690 4.539 4.526 4.555 . 0 0 "[ . 1]" 1 917 1 19 TYR QE 2 15 VAL HA 3.766 3.146 4.386 4.191 4.074 4.325 . 0 0 "[ . 1]" 1 918 1 15 VAL HA 2 19 TYR QE 3.766 3.146 4.386 4.192 4.073 4.320 . 0 0 "[ . 1]" 1 919 1 18 ILE HA 1 19 TYR QE 5.110 4.121 6.099 5.010 4.737 5.201 . 0 0 "[ . 1]" 1 920 2 18 ILE HA 2 19 TYR QE 5.110 4.121 6.099 5.013 4.729 5.197 . 0 0 "[ . 1]" 1 921 1 19 TYR HB3 1 19 TYR QE 4.291 3.725 4.857 4.459 4.452 4.465 . 0 0 "[ . 1]" 1 922 2 19 TYR HB3 2 19 TYR QE 4.291 3.725 4.857 4.459 4.453 4.464 . 0 0 "[ . 1]" 1 923 1 50 TYR QD 1 54 ARG HD2 4.573 3.935 5.211 4.962 4.818 5.153 . 0 0 "[ . 1]" 1 924 2 50 TYR QD 2 54 ARG HD2 4.573 3.935 5.211 4.962 4.821 5.155 . 0 0 "[ . 1]" 1 925 1 50 TYR QD 2 49 GLU HG3 5.064 4.096 6.032 4.821 3.952 5.285 0.144 10 0 "[ . 1]" 1 926 1 49 GLU HG3 2 50 TYR QD 5.064 4.096 6.032 4.822 3.953 5.281 0.143 10 0 "[ . 1]" 1 927 1 19 TYR QE 2 13 LYS QG 4.356 . 6.000 5.841 5.578 6.132 0.132 3 0 "[ . 1]" 1 928 1 13 LYS QG 2 19 TYR QE 4.356 . 6.000 5.838 5.579 6.135 0.135 3 0 "[ . 1]" 1 929 1 50 TYR QD 1 54 ARG HD3 3.481 2.919 4.043 3.635 3.486 3.719 . 0 0 "[ . 1]" 1 930 2 50 TYR QD 2 54 ARG HD3 3.481 2.919 4.043 3.635 3.491 3.717 . 0 0 "[ . 1]" 1 931 1 50 TYR QD 1 51 LEU HB3 4.362 . 6.000 5.527 5.485 5.602 . 0 0 "[ . 1]" 1 932 2 50 TYR QD 2 51 LEU HB3 4.362 . 6.000 5.526 5.481 5.600 . 0 0 "[ . 1]" 1 933 1 31 TYR QE 1 35 ASN HB2 4.263 3.668 4.858 4.335 4.231 4.501 . 0 0 "[ . 1]" 1 934 2 31 TYR QE 2 35 ASN HB2 4.263 3.668 4.858 4.334 4.225 4.500 . 0 0 "[ . 1]" 1 935 1 19 TYR QD 2 13 LYS QG 4.519 3.841 5.197 4.576 4.226 5.014 . 0 0 "[ . 1]" 1 936 1 13 LYS QG 2 19 TYR QD 4.519 3.841 5.197 4.575 4.228 5.008 . 0 0 "[ . 1]" 1 937 1 16 PHE QR 2 40 THR HB 5.770 4.920 6.620 5.260 5.212 5.337 . 0 0 "[ . 1]" 1 938 1 40 THR HB 2 16 PHE QR 5.770 4.920 6.620 5.259 5.214 5.333 . 0 0 "[ . 1]" 1 939 1 31 TYR QD 2 51 LEU HA 3.845 . 6.000 4.903 4.805 4.995 . 0 0 "[ . 1]" 1 940 1 51 LEU HA 2 31 TYR QD 3.845 . 6.000 4.902 4.808 4.991 . 0 0 "[ . 1]" 1 941 1 28 LEU MD1 1 31 TYR QD 2.677 . 3.375 3.321 3.167 3.414 0.039 8 0 "[ . 1]" 1 942 2 28 LEU MD1 2 31 TYR QD 2.677 . 3.375 3.322 3.164 3.414 0.039 8 0 "[ . 1]" 1 943 1 16 PHE QR 2 39 LEU HG 3.469 . 6.000 2.218 2.120 2.298 . 0 0 "[ . 1]" 1 944 1 39 LEU HG 2 16 PHE QR 3.469 . 6.000 2.219 2.119 2.298 . 0 0 "[ . 1]" 1 945 1 16 PHE QR 2 28 LEU MD1 2.082 . 6.000 3.788 3.745 3.835 . 0 0 "[ . 1]" 1 946 1 28 LEU MD1 2 16 PHE QR 2.082 . 6.000 3.786 3.750 3.831 . 0 0 "[ . 1]" 1 947 1 48 LYS HA 1 50 TYR QD 4.863 3.995 5.731 5.790 5.740 5.830 0.099 8 0 "[ . 1]" 1 948 2 48 LYS HA 2 50 TYR QD 4.863 3.995 5.731 5.789 5.741 5.832 0.101 8 0 "[ . 1]" 1 949 1 50 TYR QB 1 50 TYR QE 4.509 3.815 5.203 3.915 3.907 3.925 . 0 0 "[ . 1]" 1 950 2 50 TYR QB 2 50 TYR QE 4.509 3.815 5.203 3.916 3.908 3.924 . 0 0 "[ . 1]" 1 951 1 19 TYR QE 2 13 LYS QE 3.621 . 6.000 5.079 4.262 5.633 . 0 0 "[ . 1]" 1 952 1 13 LYS QE 2 19 TYR QE 3.621 . 6.000 5.077 4.274 5.634 . 0 0 "[ . 1]" 1 953 1 50 TYR QE 1 54 ARG HD3 3.804 2.878 4.730 2.811 2.739 2.881 0.139 5 0 "[ . 1]" 1 954 2 50 TYR QE 2 54 ARG HD3 3.804 2.878 4.730 2.811 2.729 2.880 0.149 5 0 "[ . 1]" 1 955 1 31 TYR QE 2 50 TYR QD 3.662 3.567 5.067 4.946 4.804 5.088 0.021 4 0 "[ . 1]" 1 956 1 50 TYR QD 2 31 TYR QE 3.662 3.567 5.067 4.947 4.803 5.092 0.025 4 0 "[ . 1]" 1 957 1 31 TYR QD 2 50 TYR QD . 2.888 5.540 4.825 4.634 5.012 . 0 0 "[ . 1]" 1 958 1 50 TYR QD 2 31 TYR QD . 2.888 5.540 4.825 4.625 5.021 . 0 0 "[ . 1]" 1 959 1 19 TYR HA 2 14 ALA HA 3.900 . 6.000 5.107 5.038 5.207 . 0 0 "[ . 1]" 1 960 1 14 ALA HA 2 19 TYR HA 3.900 . 6.000 5.109 5.071 5.216 . 0 0 "[ . 1]" 1 961 1 18 ILE HA 1 19 TYR HA 4.263 3.702 4.824 4.406 4.387 4.424 . 0 0 "[ . 1]" 1 962 2 18 ILE HA 2 19 TYR HA 4.263 3.702 4.824 4.407 4.387 4.420 . 0 0 "[ . 1]" 1 963 1 14 ALA HA 2 22 LYS HA 4.501 . 6.000 5.310 5.095 5.479 . 0 0 "[ . 1]" 1 964 1 22 LYS HA 2 14 ALA HA 4.501 . 6.000 5.307 5.086 5.500 . 0 0 "[ . 1]" 1 965 1 26 THR HB 1 27 ARG HA 4.875 4.222 5.528 4.577 4.487 4.666 . 0 0 "[ . 1]" 1 966 2 26 THR HB 2 27 ARG HA 4.875 4.222 5.528 4.577 4.490 4.671 . 0 0 "[ . 1]" 1 967 1 28 LEU HA 1 31 TYR HA 4.778 4.284 5.272 4.818 4.738 4.883 . 0 0 "[ . 1]" 1 968 2 28 LEU HA 2 31 TYR HA 4.778 4.284 5.272 4.818 4.737 4.879 . 0 0 "[ . 1]" 1 969 1 39 LEU HA 1 40 THR HA 4.131 3.555 4.707 4.778 4.769 4.791 0.084 4 0 "[ . 1]" 1 970 2 39 LEU HA 2 40 THR HA 4.131 3.555 4.707 4.779 4.769 4.795 0.088 4 0 "[ . 1]" 1 971 1 30 VAL HA 1 33 ALA HA 4.572 3.970 5.174 5.009 4.865 5.134 . 0 0 "[ . 1]" 1 972 2 30 VAL HA 2 33 ALA HA 4.572 3.970 5.174 5.010 4.869 5.139 . 0 0 "[ . 1]" 1 973 1 41 GLN HA 1 44 GLU HA 5.511 4.832 6.190 5.495 5.356 5.556 . 0 0 "[ . 1]" 1 974 2 41 GLN HA 2 44 GLU HA 5.511 4.832 6.190 5.494 5.351 5.557 . 0 0 "[ . 1]" 1 975 1 34 LYS HA 1 35 ASN HA 4.306 3.797 4.815 4.583 4.573 4.592 . 0 0 "[ . 1]" 1 976 2 34 LYS HA 2 35 ASN HA 4.306 3.797 4.815 4.582 4.573 4.588 . 0 0 "[ . 1]" 1 977 1 19 TYR HA 2 15 VAL HB 4.898 4.480 5.471 5.186 5.137 5.240 . 0 0 "[ . 1]" 1 978 1 15 VAL HB 2 19 TYR HA 4.898 4.480 5.471 5.189 5.135 5.252 . 0 0 "[ . 1]" 1 979 1 19 TYR HA 2 13 LYS QB 4.995 4.337 5.653 4.279 4.229 4.383 0.108 5 0 "[ . 1]" 1 980 1 13 LYS QB 2 19 TYR HA 4.995 4.337 5.653 4.278 4.229 4.379 0.108 5 0 "[ . 1]" 1 981 1 19 TYR HA 2 40 THR MG 4.030 3.097 4.435 4.073 4.005 4.205 . 0 0 "[ . 1]" 1 982 1 40 THR MG 2 19 TYR HA 4.030 3.097 4.435 4.071 4.008 4.186 . 0 0 "[ . 1]" 1 983 1 14 ALA HA 1 15 VAL MG2 3.026 2.405 3.647 3.227 3.185 3.252 . 0 0 "[ . 1]" 1 984 2 14 ALA HA 2 15 VAL MG2 3.026 2.405 3.647 3.226 3.186 3.250 . 0 0 "[ . 1]" 1 985 1 18 ILE MD 1 19 TYR HA 4.585 3.661 5.509 5.007 4.902 5.059 . 0 0 "[ . 1]" 1 986 2 18 ILE MD 2 19 TYR HA 4.585 3.661 5.509 5.009 4.909 5.065 . 0 0 "[ . 1]" 1 987 1 16 PHE HA 1 16 PHE HB2 2.827 2.450 3.204 2.628 2.611 2.649 . 0 0 "[ . 1]" 1 988 2 16 PHE HA 2 16 PHE HB2 2.827 2.450 3.204 2.627 2.608 2.650 . 0 0 "[ . 1]" 1 989 1 16 PHE HA 1 16 PHE HB3 3.294 2.898 3.690 2.995 2.987 3.001 . 0 0 "[ . 1]" 1 990 2 16 PHE HA 2 16 PHE HB3 3.294 2.898 3.690 2.995 2.987 3.001 . 0 0 "[ . 1]" 1 991 1 20 MET HG2 2 16 PHE HA 4.971 4.337 5.605 5.295 5.163 5.695 0.090 8 0 "[ . 1]" 1 992 1 16 PHE HA 2 20 MET HG2 4.971 4.337 5.605 5.296 5.164 5.700 0.095 8 0 "[ . 1]" 1 993 1 35 ASN HB3 1 37 LEU HA 4.244 3.760 4.728 4.750 4.720 4.769 0.041 9 0 "[ . 1]" 1 994 2 35 ASN HB3 2 37 LEU HA 4.244 3.760 4.728 4.751 4.721 4.773 0.045 5 0 "[ . 1]" 1 995 1 15 VAL HB 1 16 PHE HA 4.631 3.762 5.500 4.146 4.117 4.187 . 0 0 "[ . 1]" 1 996 2 15 VAL HB 2 16 PHE HA 4.631 3.762 5.500 4.143 4.119 4.185 . 0 0 "[ . 1]" 1 997 1 35 ASN HA 1 35 ASN HB3 2.764 2.429 3.099 2.514 2.500 2.531 . 0 0 "[ . 1]" 1 998 2 35 ASN HA 2 35 ASN HB3 2.764 2.429 3.099 2.513 2.498 2.529 . 0 0 "[ . 1]" 1 999 1 34 LYS QB 1 35 ASN HA 5.339 . 6.000 4.291 4.234 4.351 . 0 0 "[ . 1]" 1 1000 2 34 LYS QB 2 35 ASN HA 5.339 . 6.000 4.291 4.240 4.347 . 0 0 "[ . 1]" 1 1001 1 35 ASN HA 1 37 LEU MD1 4.484 3.612 5.356 3.936 3.834 4.050 . 0 0 "[ . 1]" 1 1002 2 35 ASN HA 2 37 LEU MD1 4.484 3.612 5.356 3.935 3.828 4.051 . 0 0 "[ . 1]" 1 1003 1 35 ASN HA 1 36 ASN HB2 3.776 3.251 4.301 4.220 4.149 4.274 . 0 0 "[ . 1]" 1 1004 2 35 ASN HA 2 36 ASN HB2 3.776 3.251 4.301 4.222 4.151 4.277 . 0 0 "[ . 1]" 1 1005 1 13 LYS HA 2 21 ASP HB2 5.945 5.293 6.597 5.225 5.117 5.384 0.176 4 0 "[ . 1]" 1 1006 1 21 ASP HB2 2 13 LYS HA 5.945 5.293 6.597 5.223 5.120 5.377 0.173 4 0 "[ . 1]" 1 1007 1 13 LYS QE 1 14 ALA HA 4.937 . 6.000 5.747 5.171 6.076 0.076 6 0 "[ . 1]" 1 1008 2 13 LYS QE 2 14 ALA HA 4.937 . 6.000 5.745 5.158 6.071 0.071 6 0 "[ . 1]" 1 1009 1 24 LEU HA 1 25 LYS HA 5.095 4.220 5.970 4.807 4.767 4.889 . 0 0 "[ . 1]" 1 1010 2 24 LEU HA 2 25 LYS HA 5.095 4.220 5.970 4.807 4.768 4.890 . 0 0 "[ . 1]" 1 1011 1 44 GLU HA 1 45 GLU HA 4.492 3.791 5.193 4.770 4.725 4.812 . 0 0 "[ . 1]" 1 1012 2 44 GLU HA 2 45 GLU HA 4.492 3.791 5.193 4.770 4.724 4.814 . 0 0 "[ . 1]" 1 1013 1 40 THR HA 1 40 THR HB 2.602 2.287 2.917 3.008 3.002 3.013 0.096 8 0 "[ . 1]" 1 1014 2 40 THR HA 2 40 THR HB 2.602 2.287 2.917 3.008 3.003 3.014 0.097 8 0 "[ . 1]" 1 1015 1 15 VAL HA 1 16 PHE HB3 4.008 . 6.000 4.756 4.692 4.826 . 0 0 "[ . 1]" 1 1016 2 15 VAL HA 2 16 PHE HB3 4.008 . 6.000 4.756 4.690 4.820 . 0 0 "[ . 1]" 1 1017 1 55 ASN HA 1 55 ASN HB3 2.301 2.084 2.518 2.324 2.316 2.331 . 0 0 "[ . 1]" 1 1018 2 55 ASN HA 2 55 ASN HB3 2.301 2.084 2.518 2.324 2.313 2.332 . 0 0 "[ . 1]" 1 1019 1 32 CYS HB3 1 38 GLN HA 4.686 3.750 5.622 3.742 3.714 3.786 0.036 5 0 "[ . 1]" 1 1020 2 32 CYS HB3 2 38 GLN HA 4.686 3.750 5.622 3.743 3.716 3.786 0.034 5 0 "[ . 1]" 1 1021 1 28 LEU HA 1 31 TYR HB3 2.445 2.087 2.803 2.301 2.172 2.386 . 0 0 "[ . 1]" 1 1022 2 28 LEU HA 2 31 TYR HB3 2.445 2.087 2.803 2.300 2.176 2.380 . 0 0 "[ . 1]" 1 1023 1 36 ASN HA 1 36 ASN HB2 2.443 . 6.000 3.003 2.989 3.010 . 0 0 "[ . 1]" 1 1024 2 36 ASN HA 2 36 ASN HB2 2.443 . 6.000 3.003 2.992 3.011 . 0 0 "[ . 1]" 1 1025 1 41 GLN HA 1 45 GLU HG2 4.740 3.945 5.535 4.141 3.924 4.621 0.021 3 0 "[ . 1]" 1 1026 2 41 GLN HA 2 45 GLU HG2 4.740 3.945 5.535 4.135 3.918 4.630 0.027 3 0 "[ . 1]" 1 1027 1 38 GLN HA 1 39 LEU MD2 4.378 3.672 5.084 4.472 4.351 4.630 . 0 0 "[ . 1]" 1 1028 2 38 GLN HA 2 39 LEU MD2 4.378 3.672 5.084 4.473 4.359 4.625 . 0 0 "[ . 1]" 1 1029 1 50 TYR HA 1 53 LYS HB3 3.102 2.673 3.531 2.697 2.578 2.853 0.095 6 0 "[ . 1]" 1 1030 2 50 TYR HA 2 53 LYS HB3 3.102 2.673 3.531 2.697 2.578 2.857 0.095 6 0 "[ . 1]" 1 1031 1 40 THR HA 1 43 ILE HA 5.135 4.471 5.799 5.377 5.338 5.407 . 0 0 "[ . 1]" 1 1032 2 40 THR HA 2 43 ILE HA 5.135 4.471 5.799 5.380 5.341 5.410 . 0 0 "[ . 1]" 1 1033 1 45 GLU HA 1 48 LYS QE 5.528 5.014 6.042 5.481 5.004 5.778 0.010 6 0 "[ . 1]" 1 1034 2 45 GLU HA 2 48 LYS QE 5.528 5.014 6.042 5.482 5.001 5.778 0.013 6 0 "[ . 1]" 1 1035 1 32 CYS HA 1 35 ASN HB2 4.042 3.402 4.682 3.368 3.329 3.405 0.073 5 0 "[ . 1]" 1 1036 2 32 CYS HA 2 35 ASN HB2 4.042 3.402 4.682 3.366 3.330 3.402 0.072 5 0 "[ . 1]" 1 1037 1 25 LYS HA 1 25 LYS HE2 5.284 4.664 5.904 5.122 4.988 5.183 . 0 0 "[ . 1]" 1 1038 2 25 LYS HA 2 25 LYS HE2 5.284 4.664 5.904 5.119 4.981 5.176 . 0 0 "[ . 1]" 1 1039 1 43 ILE HA 1 43 ILE HB 2.461 . 6.000 2.966 2.959 2.970 . 0 0 "[ . 1]" 1 1040 2 43 ILE HA 2 43 ILE HB 2.461 . 6.000 2.966 2.960 2.971 . 0 0 "[ . 1]" 1 1041 1 45 GLU HA 1 48 LYS QG 4.878 . 6.000 3.613 3.528 3.686 . 0 0 "[ . 1]" 1 1042 2 45 GLU HA 2 48 LYS QG 4.878 . 6.000 3.613 3.521 3.681 . 0 0 "[ . 1]" 1 1043 1 29 LYS HA 1 30 VAL MG2 4.002 3.309 4.695 4.820 4.803 4.832 0.137 9 0 "[ . 1]" 1 1044 2 29 LYS HA 2 30 VAL MG2 4.002 3.309 4.695 4.821 4.807 4.831 0.136 4 0 "[ . 1]" 1 1045 1 24 LEU HA 2 51 LEU MD2 2.967 . 6.000 4.098 4.014 4.288 . 0 0 "[ . 1]" 1 1046 1 51 LEU MD2 2 24 LEU HA 2.967 . 6.000 4.097 4.006 4.278 . 0 0 "[ . 1]" 1 1047 1 25 LYS HG2 1 26 THR HA 3.958 3.275 4.641 4.127 3.997 4.348 . 0 0 "[ . 1]" 1 1048 2 25 LYS HG2 2 26 THR HA 3.958 3.275 4.641 4.127 3.993 4.346 . 0 0 "[ . 1]" 1 1049 1 32 CYS HB2 1 39 LEU MD2 2.517 . 3.188 2.383 2.308 2.443 . 0 0 "[ . 1]" 1 1050 2 32 CYS HB2 2 39 LEU MD2 2.517 . 3.188 2.384 2.310 2.443 . 0 0 "[ . 1]" 1 1051 1 21 ASP HB2 1 24 LEU HB3 2.902 . 6.000 2.524 2.287 2.747 . 0 0 "[ . 1]" 1 1052 2 21 ASP HB2 2 24 LEU HB3 2.902 . 6.000 2.523 2.293 2.747 . 0 0 "[ . 1]" 1 1053 1 21 ASP HB2 1 24 LEU QD 3.453 2.765 4.141 2.991 2.685 3.235 0.080 4 0 "[ . 1]" 1 1054 2 21 ASP HB2 2 24 LEU QD 3.453 2.765 4.141 2.987 2.678 3.233 0.087 4 0 "[ . 1]" 1 1055 1 20 MET HB3 1 20 MET HG3 3.364 2.897 3.831 3.001 2.956 3.011 . 0 0 "[ . 1]" 1 1056 2 20 MET HB3 2 20 MET HG3 3.364 2.897 3.831 3.002 2.954 3.012 . 0 0 "[ . 1]" 1 1057 1 19 TYR HB3 2 13 LYS QB 4.159 . 6.000 2.790 2.607 2.969 . 0 0 "[ . 1]" 1 1058 1 13 LYS QB 2 19 TYR HB3 4.159 . 6.000 2.790 2.603 2.962 . 0 0 "[ . 1]" 1 1059 1 35 ASN HB2 1 37 LEU MD1 2.782 2.146 3.418 2.340 2.147 2.448 . 0 0 "[ . 1]" 1 1060 2 35 ASN HB2 2 37 LEU MD1 2.782 2.146 3.418 2.339 2.149 2.447 . 0 0 "[ . 1]" 1 1061 1 19 TYR HB3 2 15 VAL MG1 3.962 3.238 4.686 4.677 4.625 4.708 0.022 8 0 "[ . 1]" 1 1062 1 15 VAL MG1 2 19 TYR HB3 3.962 3.238 4.686 4.678 4.621 4.709 0.023 10 0 "[ . 1]" 1 1063 1 19 TYR HB3 2 15 VAL MG2 4.527 3.541 5.513 4.187 4.154 4.261 . 0 0 "[ . 1]" 1 1064 1 15 VAL MG2 2 19 TYR HB3 4.527 3.541 5.513 4.191 4.159 4.252 . 0 0 "[ . 1]" 1 1065 1 25 LYS HE2 1 25 LYS HG3 4.071 3.569 4.573 3.526 3.504 3.543 0.065 10 0 "[ . 1]" 1 1066 2 25 LYS HE2 2 25 LYS HG3 4.071 3.569 4.573 3.525 3.506 3.540 0.063 10 0 "[ . 1]" 1 1067 1 18 ILE HG13 1 20 MET HG3 5.746 4.787 6.705 5.058 4.916 5.277 . 0 0 "[ . 1]" 1 1068 2 18 ILE HG13 2 20 MET HG3 5.746 4.787 6.705 5.055 4.915 5.262 . 0 0 "[ . 1]" 1 1069 1 27 ARG HG2 2 51 LEU MD1 4.568 3.722 5.414 4.205 4.103 4.330 . 0 0 "[ . 1]" 1 1070 1 51 LEU MD1 2 27 ARG HG2 4.568 3.722 5.414 4.208 4.089 4.328 . 0 0 "[ . 1]" 1 1071 1 39 LEU HG 1 43 ILE MD 3.370 2.636 4.104 4.148 4.125 4.182 0.078 7 0 "[ . 1]" 1 1072 2 39 LEU HG 2 43 ILE MD 3.370 2.636 4.104 4.149 4.124 4.188 0.084 7 0 "[ . 1]" 1 1073 1 40 THR MG 2 18 ILE HG13 2.397 . 2.945 2.941 2.886 2.973 0.028 7 0 "[ . 1]" 1 1074 1 18 ILE HG13 2 40 THR MG 2.397 . 2.945 2.945 2.889 2.976 0.031 7 0 "[ . 1]" 1 1075 1 26 THR MG 1 30 VAL MG1 2.718 . 6.000 4.936 4.823 5.067 . 0 0 "[ . 1]" 1 1076 2 26 THR MG 2 30 VAL MG1 2.718 . 6.000 4.936 4.826 5.069 . 0 0 "[ . 1]" 1 1077 1 21 ASP H 1 21 ASP HA 2.604 2.304 2.904 2.795 2.768 2.859 . 0 0 "[ . 1]" 1 1078 2 21 ASP H 2 21 ASP HA 2.604 2.304 2.904 2.795 2.770 2.860 . 0 0 "[ . 1]" 1 1079 1 21 ASP H 2 13 LYS QG 6.190 5.180 7.200 7.009 6.837 7.210 0.010 2 0 "[ . 1]" 1 1080 1 13 LYS QG 2 21 ASP H 6.190 5.180 7.200 7.011 6.832 7.213 0.013 2 0 "[ . 1]" 1 1081 1 20 MET HA 1 21 ASP H 2.442 2.160 2.724 2.427 2.359 2.637 . 0 0 "[ . 1]" 1 1082 2 20 MET HA 2 21 ASP H 2.442 2.160 2.724 2.428 2.360 2.637 . 0 0 "[ . 1]" 1 1083 1 21 ASP H 1 21 ASP HB2 2.266 2.004 2.528 2.315 2.270 2.406 . 0 0 "[ . 1]" 1 1084 2 21 ASP H 2 21 ASP HB2 2.266 2.004 2.528 2.311 2.262 2.397 . 0 0 "[ . 1]" 1 1085 1 21 ASP H 1 21 ASP HB3 3.143 2.870 3.416 3.554 3.535 3.573 0.157 4 0 "[ . 1]" 1 1086 2 21 ASP H 2 21 ASP HB3 3.143 2.870 3.416 3.552 3.530 3.568 0.152 4 0 "[ . 1]" 1 1087 1 20 MET HB2 1 21 ASP H 2.598 2.267 2.929 2.554 2.344 2.644 . 0 0 "[ . 1]" 1 1088 2 20 MET HB2 2 21 ASP H 2.598 2.267 2.929 2.556 2.342 2.650 . 0 0 "[ . 1]" 1 1089 1 20 MET HB3 1 21 ASP H 3.883 3.505 4.261 3.875 3.805 3.925 . 0 0 "[ . 1]" 1 1090 2 20 MET HB3 2 21 ASP H 3.883 3.505 4.261 3.876 3.801 3.932 . 0 0 "[ . 1]" 1 1091 1 38 GLN HA 1 39 LEU H 2.185 . 2.433 2.185 2.174 2.195 . 0 0 "[ . 1]" 1 1092 2 38 GLN HA 2 39 LEU H 2.185 . 2.433 2.186 2.166 2.202 . 0 0 "[ . 1]" 1 1093 1 39 LEU H 1 39 LEU HA 2.604 2.272 2.936 2.730 2.720 2.739 . 0 0 "[ . 1]" 1 1094 2 39 LEU H 2 39 LEU HA 2.604 2.272 2.936 2.729 2.718 2.737 . 0 0 "[ . 1]" 1 1095 1 38 GLN HG3 1 39 LEU H 3.973 . 6.000 5.042 5.004 5.072 . 0 0 "[ . 1]" 1 1096 2 38 GLN HG3 2 39 LEU H 3.973 . 6.000 5.044 5.009 5.077 . 0 0 "[ . 1]" 1 1097 1 38 GLN QB 1 39 LEU H 3.192 2.836 3.548 3.065 3.021 3.105 . 0 0 "[ . 1]" 1 1098 2 38 GLN QB 2 39 LEU H 3.192 2.836 3.548 3.067 3.007 3.117 . 0 0 "[ . 1]" 1 1099 1 39 LEU H 1 39 LEU HB2 2.298 . 2.616 2.080 2.066 2.093 . 0 0 "[ . 1]" 1 1100 2 39 LEU H 2 39 LEU HB2 2.298 . 2.616 2.080 2.065 2.089 . 0 0 "[ . 1]" 1 1101 1 39 LEU H 1 39 LEU HB3 3.285 2.973 3.597 3.296 3.221 3.349 . 0 0 "[ . 1]" 1 1102 2 39 LEU H 2 39 LEU HB3 3.285 2.973 3.597 3.297 3.222 3.347 . 0 0 "[ . 1]" 1 1103 1 39 LEU H 1 39 LEU MD1 3.190 . 6.000 4.038 4.013 4.068 . 0 0 "[ . 1]" 1 1104 2 39 LEU H 2 39 LEU MD1 3.190 . 6.000 4.038 4.006 4.067 . 0 0 "[ . 1]" 1 1105 1 39 LEU H 1 39 LEU MD2 2.853 2.355 3.351 2.986 2.870 3.134 . 0 0 "[ . 1]" 1 1106 2 39 LEU H 2 39 LEU MD2 2.853 2.355 3.351 2.984 2.868 3.126 . 0 0 "[ . 1]" 1 1107 1 31 TYR HA 1 32 CYS H 3.370 2.964 3.776 3.517 3.514 3.521 . 0 0 "[ . 1]" 1 1108 2 31 TYR HA 2 32 CYS H 3.370 2.964 3.776 3.516 3.514 3.520 . 0 0 "[ . 1]" 1 1109 1 30 VAL HA 1 32 CYS H 4.244 3.593 4.895 4.140 4.085 4.173 . 0 0 "[ . 1]" 1 1110 2 30 VAL HA 2 32 CYS H 4.244 3.593 4.895 4.139 4.089 4.176 . 0 0 "[ . 1]" 1 1111 1 32 CYS H 1 32 CYS HB2 2.232 . 2.472 2.482 2.434 2.497 0.025 9 0 "[ . 1]" 1 1112 2 32 CYS H 2 32 CYS HB2 2.232 . 2.472 2.481 2.431 2.501 0.029 9 0 "[ . 1]" 1 1113 1 21 ASP HB3 1 22 LYS H 2.230 . 2.488 2.553 2.523 2.611 0.123 4 0 "[ . 1]" 1 1114 2 21 ASP HB3 2 22 LYS H 2.230 . 2.488 2.554 2.522 2.616 0.128 4 0 "[ . 1]" 1 1115 1 30 VAL MG2 1 32 CYS H 4.315 3.566 5.064 5.169 5.152 5.183 0.119 6 0 "[ . 1]" 1 1116 2 30 VAL MG2 2 32 CYS H 4.315 3.566 5.064 5.169 5.154 5.184 0.120 3 0 "[ . 1]" 1 1117 1 32 CYS H 2 51 LEU MD1 3.748 . 6.000 5.086 4.969 5.233 . 0 0 "[ . 1]" 1 1118 1 51 LEU MD1 2 32 CYS H 3.748 . 6.000 5.084 4.973 5.219 . 0 0 "[ . 1]" 1 1119 1 22 LYS H 1 22 LYS HA 2.781 2.450 3.112 2.868 2.850 2.882 . 0 0 "[ . 1]" 1 1120 2 22 LYS H 2 22 LYS HA 2.781 2.450 3.112 2.868 2.854 2.880 . 0 0 "[ . 1]" 1 1121 1 21 ASP HB2 1 22 LYS H 3.865 3.485 4.245 3.905 3.803 3.955 . 0 0 "[ . 1]" 1 1122 2 21 ASP HB2 2 22 LYS H 3.865 3.485 4.245 3.906 3.807 3.960 . 0 0 "[ . 1]" 1 1123 1 13 LYS QB 1 14 ALA H 2.800 2.488 3.112 2.645 2.475 3.003 0.013 7 0 "[ . 1]" 1 1124 2 13 LYS QB 2 14 ALA H 2.800 2.488 3.112 2.645 2.470 3.009 0.018 7 0 "[ . 1]" 1 1125 1 14 ALA H 1 14 ALA MB 1.838 . 6.000 2.544 2.431 2.596 . 0 0 "[ . 1]" 1 1126 2 14 ALA H 2 14 ALA MB 1.838 . 6.000 2.544 2.422 2.595 . 0 0 "[ . 1]" 1 1127 1 15 VAL HA 1 16 PHE H 2.151 . 2.365 2.371 2.348 2.384 0.019 7 0 "[ . 1]" 1 1128 2 15 VAL HA 2 16 PHE H 2.151 . 2.365 2.373 2.351 2.390 0.025 7 0 "[ . 1]" 1 1129 1 16 PHE H 1 16 PHE HB2 2.758 2.429 3.087 3.081 3.020 3.109 0.022 6 0 "[ . 1]" 1 1130 2 16 PHE H 2 16 PHE HB2 2.758 2.429 3.087 3.081 3.031 3.113 0.026 6 0 "[ . 1]" 1 1131 1 16 PHE H 1 16 PHE HB3 2.832 2.508 3.156 3.093 3.069 3.113 . 0 0 "[ . 1]" 1 1132 2 16 PHE H 2 16 PHE HB3 2.832 2.508 3.156 3.091 3.068 3.115 . 0 0 "[ . 1]" 1 1133 1 15 VAL MG1 1 16 PHE H 1.538 . 1.850 1.797 1.744 1.847 . 0 0 "[ . 1]" 1 1134 2 15 VAL MG1 2 16 PHE H 1.538 . 1.850 1.796 1.743 1.852 0.002 8 0 "[ . 1]" 1 1135 1 16 PHE H 2 18 ILE HG12 4.547 3.921 5.173 4.471 4.371 4.539 . 0 0 "[ . 1]" 1 1136 1 18 ILE HG12 2 16 PHE H 4.547 3.921 5.173 4.468 4.366 4.527 . 0 0 "[ . 1]" 1 1137 1 16 PHE H 2 18 ILE HG13 3.496 2.989 4.003 3.909 3.859 3.967 . 0 0 "[ . 1]" 1 1138 1 18 ILE HG13 2 16 PHE H 3.496 2.989 4.003 3.901 3.847 3.970 . 0 0 "[ . 1]" 1 1139 1 29 LYS H 1 30 VAL HA 4.530 . 6.000 5.338 5.317 5.367 . 0 0 "[ . 1]" 1 1140 2 29 LYS H 2 30 VAL HA 4.530 . 6.000 5.337 5.314 5.364 . 0 0 "[ . 1]" 1 1141 1 28 LEU HA 1 29 LYS H 3.137 2.713 3.561 3.545 3.538 3.559 . 0 0 "[ . 1]" 1 1142 2 28 LEU HA 2 29 LYS H 3.137 2.713 3.561 3.544 3.537 3.557 . 0 0 "[ . 1]" 1 1143 1 27 ARG HA 1 29 LYS H 4.176 3.517 4.835 4.352 4.310 4.424 . 0 0 "[ . 1]" 1 1144 2 27 ARG HA 2 29 LYS H 4.176 3.517 4.835 4.350 4.314 4.421 . 0 0 "[ . 1]" 1 1145 1 29 LYS H 1 29 LYS HA 2.536 2.235 2.837 2.785 2.774 2.792 . 0 0 "[ . 1]" 1 1146 2 29 LYS H 2 29 LYS HA 2.536 2.235 2.837 2.787 2.776 2.796 . 0 0 "[ . 1]" 1 1147 1 26 THR HA 1 29 LYS H 2.956 2.604 3.308 2.923 2.855 3.014 . 0 0 "[ . 1]" 1 1148 2 26 THR HA 2 29 LYS H 2.956 2.604 3.308 2.924 2.856 3.025 . 0 0 "[ . 1]" 1 1149 1 25 LYS HA 1 29 LYS H 3.503 . 6.000 4.269 4.219 4.311 . 0 0 "[ . 1]" 1 1150 2 25 LYS HA 2 29 LYS H 3.503 . 6.000 4.267 4.219 4.311 . 0 0 "[ . 1]" 1 1151 1 29 LYS H 1 29 LYS QD 3.378 . 6.000 4.202 4.131 4.244 . 0 0 "[ . 1]" 1 1152 2 29 LYS H 2 29 LYS QD 3.378 . 6.000 4.203 4.135 4.245 . 0 0 "[ . 1]" 1 1153 1 29 LYS H 1 29 LYS QG 4.055 3.653 4.457 4.032 4.014 4.061 . 0 0 "[ . 1]" 1 1154 2 29 LYS H 2 29 LYS QG 4.055 3.653 4.457 4.033 4.014 4.061 . 0 0 "[ . 1]" 1 1155 1 28 LEU HB3 1 29 LYS H 2.382 2.068 2.696 2.678 2.655 2.705 0.009 6 0 "[ . 1]" 1 1156 2 28 LEU HB3 2 29 LYS H 2.382 2.068 2.696 2.678 2.657 2.704 0.008 6 0 "[ . 1]" 1 1157 1 26 THR MG 1 29 LYS H 3.268 . 6.000 4.354 4.289 4.410 . 0 0 "[ . 1]" 1 1158 2 26 THR MG 2 29 LYS H 3.268 . 6.000 4.355 4.294 4.413 . 0 0 "[ . 1]" 1 1159 1 29 LYS H 1 30 VAL MG2 2.992 . 6.000 4.086 3.997 4.150 . 0 0 "[ . 1]" 1 1160 2 29 LYS H 2 30 VAL MG2 2.992 . 6.000 4.084 3.994 4.148 . 0 0 "[ . 1]" 1 1161 1 29 LYS H 1 39 LEU MD2 3.138 . 6.000 4.033 3.965 4.104 . 0 0 "[ . 1]" 1 1162 2 29 LYS H 2 39 LEU MD2 3.138 . 6.000 4.034 3.970 4.100 . 0 0 "[ . 1]" 1 1163 1 28 LEU MD1 1 29 LYS H 2.383 . 6.000 3.380 3.323 3.415 . 0 0 "[ . 1]" 1 1164 2 28 LEU MD1 2 29 LYS H 2.383 . 6.000 3.380 3.326 3.413 . 0 0 "[ . 1]" 1 1165 1 38 GLN H 1 38 GLN HA 2.676 2.356 2.996 2.899 2.887 2.906 . 0 0 "[ . 1]" 1 1166 2 38 GLN H 2 38 GLN HA 2.676 2.356 2.996 2.898 2.888 2.905 . 0 0 "[ . 1]" 1 1167 1 38 GLN H 1 38 GLN QB 2.196 . 2.423 2.427 2.403 2.450 0.027 2 0 "[ . 1]" 1 1168 2 38 GLN H 2 38 GLN QB 2.196 . 2.423 2.426 2.399 2.453 0.030 2 0 "[ . 1]" 1 1169 1 37 LEU MD2 1 38 GLN H 3.218 . 6.000 3.954 3.873 4.099 . 0 0 "[ . 1]" 1 1170 2 37 LEU MD2 2 38 GLN H 3.218 . 6.000 3.954 3.871 4.096 . 0 0 "[ . 1]" 1 1171 1 27 ARG HA 1 30 VAL H 3.669 3.082 4.256 3.519 3.423 3.630 . 0 0 "[ . 1]" 1 1172 2 27 ARG HA 2 30 VAL H 3.669 3.082 4.256 3.520 3.426 3.626 . 0 0 "[ . 1]" 1 1173 1 29 LYS HA 1 30 VAL H 3.391 3.002 3.780 3.514 3.505 3.523 . 0 0 "[ . 1]" 1 1174 2 29 LYS HA 2 30 VAL H 3.391 3.002 3.780 3.513 3.505 3.524 . 0 0 "[ . 1]" 1 1175 1 30 VAL H 1 30 VAL HA 2.434 . 6.000 2.825 2.818 2.837 . 0 0 "[ . 1]" 1 1176 2 30 VAL H 2 30 VAL HA 2.434 . 6.000 2.826 2.818 2.839 . 0 0 "[ . 1]" 1 1177 1 29 LYS QD 1 30 VAL H 2.992 2.623 3.361 3.012 2.784 3.137 . 0 0 "[ . 1]" 1 1178 2 29 LYS QD 2 30 VAL H 2.992 2.623 3.361 3.013 2.785 3.133 . 0 0 "[ . 1]" 1 1179 1 28 LEU MD1 1 30 VAL H 3.495 . 6.000 4.872 4.787 4.950 . 0 0 "[ . 1]" 1 1180 2 28 LEU MD1 2 30 VAL H 3.495 . 6.000 4.870 4.783 4.946 . 0 0 "[ . 1]" 1 1181 1 44 GLU HA 1 48 LYS H 3.554 3.083 4.025 3.889 3.788 3.984 . 0 0 "[ . 1]" 1 1182 2 44 GLU HA 2 48 LYS H 3.554 3.083 4.025 3.893 3.794 3.992 . 0 0 "[ . 1]" 1 1183 1 47 ILE HA 1 48 LYS H 3.034 2.627 3.441 3.470 3.458 3.484 0.043 6 0 "[ . 1]" 1 1184 2 47 ILE HA 2 48 LYS H 3.034 2.627 3.441 3.470 3.457 3.487 0.046 10 0 "[ . 1]" 1 1185 1 48 LYS H 2 24 LEU QD 2.991 2.493 3.489 2.848 2.661 3.006 . 0 0 "[ . 1]" 1 1186 1 24 LEU QD 2 48 LYS H 2.991 2.493 3.489 2.853 2.668 3.001 . 0 0 "[ . 1]" 1 1187 1 47 ILE MG 1 48 LYS H 1.977 . 2.386 2.370 2.276 2.426 0.040 4 0 "[ . 1]" 1 1188 2 47 ILE MG 2 48 LYS H 1.977 . 2.386 2.374 2.287 2.425 0.039 4 0 "[ . 1]" 1 1189 1 49 GLU H 1 49 GLU HG2 3.146 . 6.000 3.822 2.596 4.209 . 0 0 "[ . 1]" 1 1190 2 49 GLU H 2 49 GLU HG2 3.146 . 6.000 3.821 2.600 4.205 . 0 0 "[ . 1]" 1 1191 1 49 GLU H 1 49 GLU HG3 3.358 3.033 3.683 3.409 2.933 3.925 0.242 5 0 "[ . 1]" 1 1192 2 49 GLU H 2 49 GLU HG3 3.358 3.033 3.683 3.409 2.933 3.925 0.242 5 0 "[ . 1]" 1 1193 1 20 MET H 2 14 ALA HA 3.488 . 6.000 5.207 5.107 5.340 . 0 0 "[ . 1]" 1 1194 1 14 ALA HA 2 20 MET H 3.488 . 6.000 5.210 5.111 5.354 . 0 0 "[ . 1]" 1 1195 1 47 ILE H 1 47 ILE HA 2.386 2.101 2.671 2.802 2.787 2.811 0.140 2 0 "[ . 1]" 1 1196 2 47 ILE H 2 47 ILE HA 2.386 2.101 2.671 2.802 2.786 2.812 0.141 2 0 "[ . 1]" 1 1197 1 19 TYR HB2 1 20 MET H 3.722 . 6.000 4.419 4.403 4.439 . 0 0 "[ . 1]" 1 1198 2 19 TYR HB2 2 20 MET H 3.722 . 6.000 4.419 4.399 4.438 . 0 0 "[ . 1]" 1 1199 1 19 TYR HB3 1 20 MET H 3.490 3.110 3.870 3.861 3.765 3.906 0.036 8 0 "[ . 1]" 1 1200 2 19 TYR HB3 2 20 MET H 3.490 3.110 3.870 3.862 3.764 3.903 0.033 8 0 "[ . 1]" 1 1201 1 20 MET H 1 20 MET HG3 3.750 3.343 4.157 3.256 3.070 3.295 0.273 8 0 "[ . 1]" 1 1202 2 20 MET H 2 20 MET HG3 3.750 3.343 4.157 3.254 3.061 3.294 0.282 8 0 "[ . 1]" 1 1203 1 28 LEU H 1 28 LEU HB3 2.301 2.059 2.543 2.560 2.542 2.580 0.037 4 0 "[ . 1]" 1 1204 2 28 LEU H 2 28 LEU HB3 2.301 2.059 2.543 2.560 2.544 2.576 0.033 4 0 "[ . 1]" 1 1205 1 26 THR HA 1 28 LEU H 4.174 3.576 4.772 4.472 4.379 4.601 . 0 0 "[ . 1]" 1 1206 2 26 THR HA 2 28 LEU H 4.174 3.576 4.772 4.473 4.365 4.604 . 0 0 "[ . 1]" 1 1207 1 13 LYS H 1 13 LYS HA 2.669 2.351 2.987 2.940 2.923 2.949 . 0 0 "[ . 1]" 1 1208 2 13 LYS H 2 13 LYS HA 2.669 2.351 2.987 2.939 2.927 2.946 . 0 0 "[ . 1]" 1 1209 1 40 THR H 1 40 THR HA 2.560 2.254 2.866 2.786 2.772 2.801 . 0 0 "[ . 1]" 1 1210 2 40 THR H 2 40 THR HA 2.560 2.254 2.866 2.785 2.772 2.797 . 0 0 "[ . 1]" 1 1211 1 13 LYS H 1 13 LYS QE 4.603 4.131 5.075 4.676 4.282 4.947 . 0 0 "[ . 1]" 1 1212 2 13 LYS H 2 13 LYS QE 4.603 4.131 5.075 4.673 4.276 4.943 . 0 0 "[ . 1]" 1 1213 1 40 THR H 1 40 THR MG 2.801 . 6.000 3.723 3.705 3.744 . 0 0 "[ . 1]" 1 1214 2 40 THR H 2 40 THR MG 2.801 . 6.000 3.724 3.707 3.744 . 0 0 "[ . 1]" 1 1215 1 39 LEU MD2 1 40 THR H 3.494 . 6.000 4.604 4.560 4.654 . 0 0 "[ . 1]" 1 1216 2 39 LEU MD2 2 40 THR H 3.494 . 6.000 4.604 4.564 4.650 . 0 0 "[ . 1]" 1 1217 1 23 ASP H 1 23 ASP HB2 2.442 2.180 2.704 2.542 2.473 2.646 . 0 0 "[ . 1]" 1 1218 2 23 ASP H 2 23 ASP HB2 2.442 2.180 2.704 2.542 2.474 2.640 . 0 0 "[ . 1]" 1 1219 1 21 ASP HB3 1 23 ASP H 3.391 2.971 3.811 3.383 3.235 3.573 . 0 0 "[ . 1]" 1 1220 2 21 ASP HB3 2 23 ASP H 3.391 2.971 3.811 3.386 3.239 3.566 . 0 0 "[ . 1]" 1 1221 1 49 GLU HA 1 52 GLN H 3.552 3.100 4.004 3.296 3.074 3.478 0.026 8 0 "[ . 1]" 1 1222 2 49 GLU HA 2 52 GLN H 3.552 3.100 4.004 3.296 3.075 3.479 0.025 8 0 "[ . 1]" 1 1223 1 51 LEU HA 1 52 GLN H 3.090 2.720 3.460 3.515 3.500 3.528 0.068 1 0 "[ . 1]" 1 1224 2 51 LEU HA 2 52 GLN H 3.090 2.720 3.460 3.515 3.503 3.530 0.070 6 0 "[ . 1]" 1 1225 1 18 ILE H 1 18 ILE HG12 2.567 2.201 2.933 2.283 2.262 2.348 . 0 0 "[ . 1]" 1 1226 2 18 ILE H 2 18 ILE HG12 2.567 2.201 2.933 2.281 2.256 2.343 . 0 0 "[ . 1]" 1 1227 1 45 GLU HA 1 46 ALA H 3.197 2.804 3.590 3.510 3.491 3.522 . 0 0 "[ . 1]" 1 1228 2 45 GLU HA 2 46 ALA H 3.197 2.804 3.590 3.511 3.494 3.521 . 0 0 "[ . 1]" 1 1229 1 43 ILE HA 1 46 ALA H 2.902 2.526 3.278 3.354 3.306 3.391 0.113 3 0 "[ . 1]" 1 1230 2 43 ILE HA 2 46 ALA H 2.902 2.526 3.278 3.353 3.309 3.391 0.113 3 0 "[ . 1]" 1 1231 1 37 LEU H 1 37 LEU MD2 3.156 . 6.000 3.983 3.878 4.026 . 0 0 "[ . 1]" 1 1232 2 37 LEU H 2 37 LEU MD2 3.156 . 6.000 3.986 3.884 4.029 . 0 0 "[ . 1]" 1 1233 1 32 CYS HB3 1 37 LEU H 4.566 3.847 5.285 3.884 3.827 3.951 0.020 7 0 "[ . 1]" 1 1234 2 32 CYS HB3 2 37 LEU H 4.566 3.847 5.285 3.880 3.817 3.951 0.030 7 0 "[ . 1]" 1 1235 1 51 LEU H 1 51 LEU HA 2.351 . 6.000 2.794 2.782 2.810 . 0 0 "[ . 1]" 1 1236 2 51 LEU H 2 51 LEU HA 2.351 . 6.000 2.794 2.780 2.810 . 0 0 "[ . 1]" 1 1237 1 35 ASN HB2 1 37 LEU H 2.402 2.130 2.674 2.755 2.725 2.774 0.100 8 0 "[ . 1]" 1 1238 2 35 ASN HB2 2 37 LEU H 2.402 2.130 2.674 2.757 2.724 2.780 0.106 8 0 "[ . 1]" 1 1239 1 51 LEU H 1 51 LEU HB2 2.027 . 2.249 2.214 2.195 2.240 . 0 0 "[ . 1]" 1 1240 2 51 LEU H 2 51 LEU HB2 2.027 . 2.249 2.212 2.190 2.241 . 0 0 "[ . 1]" 1 1241 1 51 LEU H 1 51 LEU HB3 3.481 3.145 3.817 3.504 3.490 3.523 . 0 0 "[ . 1]" 1 1242 2 51 LEU H 2 51 LEU HB3 3.481 3.145 3.817 3.503 3.486 3.524 . 0 0 "[ . 1]" 1 1243 1 55 ASN HB3 1 56 GLY H 2.828 . 6.000 3.861 3.793 3.930 . 0 0 "[ . 1]" 1 1244 2 55 ASN HB3 2 56 GLY H 2.828 . 6.000 3.861 3.798 3.923 . 0 0 "[ . 1]" 1 1245 1 46 ALA H 1 47 ILE MG 2.595 . 6.000 3.815 3.678 3.967 . 0 0 "[ . 1]" 1 1246 2 46 ALA H 2 47 ILE MG 2.595 . 6.000 3.815 3.688 3.970 . 0 0 "[ . 1]" 1 1247 1 27 ARG HB2 1 27 ARG HE 2.547 2.177 2.917 2.190 2.133 2.299 0.044 5 0 "[ . 1]" 1 1248 2 27 ARG HB2 2 27 ARG HE 2.547 2.177 2.917 2.191 2.134 2.312 0.043 2 0 "[ . 1]" 1 1249 1 27 ARG HE 1 27 ARG HG2 2.611 2.274 2.948 2.523 2.454 2.564 . 0 0 "[ . 1]" 1 1250 2 27 ARG HE 2 27 ARG HG2 2.611 2.274 2.948 2.526 2.446 2.564 . 0 0 "[ . 1]" 1 1251 1 14 ALA HA 1 15 VAL H 2.330 2.087 2.573 2.479 2.397 2.562 . 0 0 "[ . 1]" 1 1252 2 14 ALA HA 2 15 VAL H 2.330 2.087 2.573 2.480 2.386 2.561 . 0 0 "[ . 1]" 1 1253 1 32 CYS HA 1 33 ALA H 3.170 2.778 3.562 3.448 3.404 3.495 . 0 0 "[ . 1]" 1 1254 2 32 CYS HA 2 33 ALA H 3.170 2.778 3.562 3.448 3.406 3.489 . 0 0 "[ . 1]" 1 1255 1 32 CYS HB2 1 33 ALA H 2.872 2.539 3.205 2.972 2.753 3.128 . 0 0 "[ . 1]" 1 1256 2 32 CYS HB2 2 33 ALA H 2.872 2.539 3.205 2.969 2.757 3.123 . 0 0 "[ . 1]" 1 1257 1 30 VAL MG2 1 33 ALA H 3.866 . 6.000 4.885 4.797 4.930 . 0 0 "[ . 1]" 1 1258 2 30 VAL MG2 2 33 ALA H 3.866 . 6.000 4.885 4.796 4.932 . 0 0 "[ . 1]" 1 1259 1 26 THR H 1 26 THR HB 2.350 2.064 2.636 2.378 2.332 2.447 . 0 0 "[ . 1]" 1 1260 2 26 THR H 2 26 THR HB 2.350 2.064 2.636 2.379 2.337 2.451 . 0 0 "[ . 1]" 1 1261 1 24 LEU HA 1 26 THR H 3.622 3.130 4.114 4.151 4.116 4.205 0.091 9 0 "[ . 1]" 1 1262 2 24 LEU HA 2 26 THR H 3.622 3.130 4.114 4.151 4.114 4.195 0.081 9 0 "[ . 1]" 1 1263 1 26 THR H 1 27 ARG HA 5.014 4.414 5.614 5.101 5.059 5.154 . 0 0 "[ . 1]" 1 1264 2 26 THR H 2 27 ARG HA 5.014 4.414 5.614 5.101 5.063 5.149 . 0 0 "[ . 1]" 1 1265 1 26 THR H 1 26 THR HA 2.570 2.269 2.871 2.866 2.861 2.873 0.002 2 0 "[ . 1]" 1 1266 2 26 THR H 2 26 THR HA 2.570 2.269 2.871 2.865 2.859 2.872 0.001 6 0 "[ . 1]" 1 1267 1 26 THR H 1 26 THR MG 2.809 . 6.000 3.741 3.723 3.766 . 0 0 "[ . 1]" 1 1268 2 26 THR H 2 26 THR MG 2.809 . 6.000 3.741 3.724 3.764 . 0 0 "[ . 1]" 1 1269 1 25 LYS HG2 1 26 THR H 3.374 . 6.000 4.200 4.116 4.366 . 0 0 "[ . 1]" 1 1270 2 25 LYS HG2 2 26 THR H 3.374 . 6.000 4.200 4.120 4.365 . 0 0 "[ . 1]" 1 1271 1 40 THR HA 1 43 ILE H 2.946 2.588 3.304 3.388 3.373 3.403 0.099 1 0 "[ . 1]" 1 1272 2 40 THR HA 2 43 ILE H 2.946 2.588 3.304 3.390 3.374 3.408 0.104 1 0 "[ . 1]" 1 1273 1 43 ILE H 1 43 ILE HA 2.499 2.207 2.791 2.800 2.797 2.805 0.014 1 0 "[ . 1]" 1 1274 2 43 ILE H 2 43 ILE HA 2.499 2.207 2.791 2.800 2.795 2.807 0.016 8 0 "[ . 1]" 1 1275 1 45 GLU H 1 45 GLU HG2 2.304 2.056 2.552 2.366 2.257 2.622 0.070 10 0 "[ . 1]" 1 1276 2 45 GLU H 2 45 GLU HG2 2.304 2.056 2.552 2.362 2.259 2.619 0.067 10 0 "[ . 1]" 1 1277 1 23 ASP HA 1 24 LEU H 3.217 2.838 3.596 3.499 3.474 3.517 . 0 0 "[ . 1]" 1 1278 2 23 ASP HA 2 24 LEU H 3.217 2.838 3.596 3.498 3.475 3.518 . 0 0 "[ . 1]" 1 1279 1 23 ASP HB3 1 24 LEU H 2.795 2.430 3.160 2.724 2.639 2.865 . 0 0 "[ . 1]" 1 1280 2 23 ASP HB3 2 24 LEU H 2.795 2.430 3.160 2.726 2.624 2.864 . 0 0 "[ . 1]" 1 1281 1 24 LEU H 1 26 THR HB 4.699 3.908 5.490 4.538 4.463 4.613 . 0 0 "[ . 1]" 1 1282 2 24 LEU H 2 26 THR HB 4.699 3.908 5.490 4.538 4.458 4.615 . 0 0 "[ . 1]" 1 1283 1 26 THR HB 1 27 ARG H 2.675 2.339 3.011 2.782 2.672 2.883 . 0 0 "[ . 1]" 1 1284 2 26 THR HB 2 27 ARG H 2.675 2.339 3.011 2.784 2.669 2.886 . 0 0 "[ . 1]" 1 1285 1 27 ARG H 1 27 ARG HA 2.604 2.307 2.901 2.784 2.772 2.799 . 0 0 "[ . 1]" 1 1286 2 27 ARG H 2 27 ARG HA 2.604 2.307 2.901 2.784 2.774 2.798 . 0 0 "[ . 1]" 1 1287 1 27 ARG H 1 27 ARG HB2 2.751 2.465 3.037 2.750 2.683 2.839 . 0 0 "[ . 1]" 1 1288 2 27 ARG H 2 27 ARG HB2 2.751 2.465 3.037 2.752 2.686 2.840 . 0 0 "[ . 1]" 1 1289 1 27 ARG H 1 27 ARG HB3 2.124 . 2.384 2.261 2.189 2.300 . 0 0 "[ . 1]" 1 1290 2 27 ARG H 2 27 ARG HB3 2.124 . 2.384 2.261 2.185 2.305 . 0 0 "[ . 1]" 1 1291 1 26 THR MG 1 27 ARG H 2.475 . 6.000 3.411 3.224 3.566 . 0 0 "[ . 1]" 1 1292 2 26 THR MG 2 27 ARG H 2.475 . 6.000 3.413 3.229 3.566 . 0 0 "[ . 1]" 1 1293 1 31 TYR H 1 31 TYR HB2 2.534 2.239 2.829 2.561 2.523 2.597 . 0 0 "[ . 1]" 1 1294 2 31 TYR H 2 31 TYR HB2 2.534 2.239 2.829 2.562 2.527 2.599 . 0 0 "[ . 1]" 1 1295 1 44 GLU H 1 44 GLU HG2 3.208 2.914 3.502 3.373 3.346 3.387 . 0 0 "[ . 1]" 1 1296 2 44 GLU H 2 44 GLU HG2 3.208 2.914 3.502 3.372 3.356 3.387 . 0 0 "[ . 1]" 1 1297 1 43 ILE MD 1 44 GLU H 3.033 . 6.000 4.242 4.223 4.257 . 0 0 "[ . 1]" 1 1298 2 43 ILE MD 2 44 GLU H 3.033 . 6.000 4.242 4.223 4.261 . 0 0 "[ . 1]" 1 1299 1 24 LEU QD 1 25 LYS H 1.965 . 2.269 2.396 2.338 2.661 0.392 8 0 "[ . 1]" 1 1300 2 24 LEU QD 2 25 LYS H 1.965 . 2.269 2.394 2.339 2.659 0.390 8 0 "[ . 1]" 1 1301 1 21 ASP HB2 1 25 LYS H 3.709 3.274 4.144 4.162 4.018 4.288 0.144 8 0 "[ . 1]" 1 1302 2 21 ASP HB2 2 25 LYS H 3.709 3.274 4.144 4.161 4.022 4.287 0.143 8 0 "[ . 1]" 1 1303 1 33 ALA HA 1 34 LYS H 2.995 . 6.000 3.496 3.482 3.503 . 0 0 "[ . 1]" 1 1304 2 33 ALA HA 2 34 LYS H 2.995 . 6.000 3.497 3.481 3.513 . 0 0 "[ . 1]" 1 1305 1 34 LYS H 1 34 LYS QB 2.055 . 2.257 2.224 2.202 2.242 . 0 0 "[ . 1]" 1 1306 2 34 LYS H 2 34 LYS QB 2.055 . 2.257 2.224 2.201 2.244 . 0 0 "[ . 1]" 1 1307 1 34 LYS H 1 34 LYS QD 4.644 4.175 5.113 4.455 4.298 4.619 . 0 0 "[ . 1]" 1 1308 2 34 LYS H 2 34 LYS QD 4.644 4.175 5.113 4.456 4.297 4.625 . 0 0 "[ . 1]" 1 1309 1 34 LYS H 1 34 LYS HG2 4.017 3.628 4.406 4.413 4.393 4.456 0.050 2 0 "[ . 1]" 1 1310 2 34 LYS H 2 34 LYS HG2 4.017 3.628 4.406 4.414 4.388 4.455 0.049 2 0 "[ . 1]" 1 1311 1 29 LYS QD 1 34 LYS H 4.729 . 6.000 5.782 5.660 5.897 . 0 0 "[ . 1]" 1 1312 2 29 LYS QD 2 34 LYS H 4.729 . 6.000 5.781 5.648 5.897 . 0 0 "[ . 1]" 1 1313 1 39 LEU HA 1 42 ALA H 3.032 . 6.000 3.691 3.607 3.746 . 0 0 "[ . 1]" 1 1314 2 39 LEU HA 2 42 ALA H 3.032 . 6.000 3.692 3.617 3.746 . 0 0 "[ . 1]" 1 1315 1 42 ALA H 1 42 ALA HA 2.568 2.273 2.863 2.845 2.831 2.859 . 0 0 "[ . 1]" 1 1316 2 42 ALA H 2 42 ALA HA 2.568 2.273 2.863 2.845 2.834 2.857 . 0 0 "[ . 1]" 1 1317 1 41 GLN HB3 1 42 ALA H 2.566 2.267 2.865 2.623 2.561 2.681 . 0 0 "[ . 1]" 1 1318 2 41 GLN HB3 2 42 ALA H 2.566 2.267 2.865 2.623 2.564 2.681 . 0 0 "[ . 1]" 1 1319 1 37 LEU HG 1 41 GLN HE22 3.134 . 6.000 2.294 1.841 2.607 . 0 0 "[ . 1]" 1 1320 2 37 LEU HG 2 41 GLN HE22 3.134 . 6.000 2.294 1.846 2.599 . 0 0 "[ . 1]" 1 1321 1 37 LEU MD1 1 41 GLN HE22 2.461 2.074 2.848 2.827 2.385 2.905 0.057 7 0 "[ . 1]" 1 1322 2 37 LEU MD1 2 41 GLN HE22 2.461 2.074 2.848 2.827 2.389 2.894 0.046 7 0 "[ . 1]" 1 1323 1 38 GLN HE22 1 38 GLN HG2 4.009 3.643 4.375 3.874 3.527 4.064 0.116 6 0 "[ . 1]" 1 1324 2 38 GLN HE22 2 38 GLN HG2 4.009 3.643 4.375 3.872 3.522 4.061 0.121 6 0 "[ . 1]" 1 1325 1 36 ASN H 1 36 ASN HA 2.112 . 2.303 2.276 2.267 2.283 . 0 0 "[ . 1]" 1 1326 2 36 ASN H 2 36 ASN HA 2.112 . 2.303 2.276 2.270 2.281 . 0 0 "[ . 1]" 1 1327 1 35 ASN HA 1 36 ASN H 3.112 2.734 3.490 3.205 3.175 3.237 . 0 0 "[ . 1]" 1 1328 2 35 ASN HA 2 36 ASN H 3.112 2.734 3.490 3.204 3.175 3.235 . 0 0 "[ . 1]" 1 1329 1 54 ARG HA 1 55 ASN H 3.208 2.879 3.537 3.560 3.549 3.573 0.036 5 0 "[ . 1]" 1 1330 2 54 ARG HA 2 55 ASN H 3.208 2.879 3.537 3.559 3.546 3.574 0.037 5 0 "[ . 1]" 1 1331 1 55 ASN H 1 55 ASN HB3 3.038 . 6.000 3.800 3.763 3.831 . 0 0 "[ . 1]" 1 1332 2 55 ASN H 2 55 ASN HB3 3.038 . 6.000 3.800 3.765 3.829 . 0 0 "[ . 1]" 1 1333 1 55 ASN HB3 1 55 ASN HD22 3.696 3.370 4.022 3.479 3.470 3.487 . 0 0 "[ . 1]" 1 1334 2 55 ASN HB3 2 55 ASN HD22 3.696 3.370 4.022 3.480 3.469 3.489 . 0 0 "[ . 1]" 1 1335 1 50 TYR HA 1 53 LYS H 3.339 2.919 3.759 3.384 3.311 3.460 . 0 0 "[ . 1]" 1 1336 2 50 TYR HA 2 53 LYS H 3.339 2.919 3.759 3.384 3.306 3.462 . 0 0 "[ . 1]" 1 1337 1 52 GLN HB2 1 53 LYS H 2.935 2.558 3.312 2.989 2.894 3.077 . 0 0 "[ . 1]" 1 1338 2 52 GLN HB2 2 53 LYS H 2.935 2.558 3.312 2.991 2.891 3.078 . 0 0 "[ . 1]" 1 1339 1 53 LYS H 1 53 LYS HB2 2.249 . 2.506 2.502 2.436 2.547 0.041 5 0 "[ . 1]" 1 1340 2 53 LYS H 2 53 LYS HB2 2.249 . 2.506 2.503 2.439 2.549 0.043 5 0 "[ . 1]" 1 1341 1 31 TYR H 1 32 CYS H 2.456 2.160 2.752 2.570 2.551 2.596 . 0 0 "[ . 1]" 1 1342 2 31 TYR H 2 32 CYS H 2.456 2.160 2.752 2.569 2.550 2.595 . 0 0 "[ . 1]" 1 1343 1 31 TYR QD 1 32 CYS H 2.824 . 6.000 3.577 3.432 3.756 . 0 0 "[ . 1]" 1 1344 2 31 TYR QD 2 32 CYS H 2.824 . 6.000 3.577 3.430 3.754 . 0 0 "[ . 1]" 1 1345 1 21 ASP H 1 22 LYS H 4.349 3.890 4.808 4.626 4.617 4.643 . 0 0 "[ . 1]" 1 1346 2 21 ASP H 2 22 LYS H 4.349 3.890 4.808 4.626 4.614 4.643 . 0 0 "[ . 1]" 1 1347 1 31 TYR H 1 31 TYR QD 3.448 . 6.000 4.152 4.139 4.162 . 0 0 "[ . 1]" 1 1348 2 31 TYR H 2 31 TYR QD 3.448 . 6.000 4.152 4.143 4.161 . 0 0 "[ . 1]" 1 1349 1 34 LYS H 1 35 ASN H 2.334 2.066 2.602 2.577 2.517 2.618 0.016 6 0 "[ . 1]" 1 1350 2 34 LYS H 2 35 ASN H 2.334 2.066 2.602 2.578 2.518 2.625 0.023 10 0 "[ . 1]" 1 1351 1 36 ASN H 1 37 LEU H 2.514 2.228 2.800 2.714 2.621 2.792 . 0 0 "[ . 1]" 1 1352 2 36 ASN H 2 37 LEU H 2.514 2.228 2.800 2.709 2.620 2.785 . 0 0 "[ . 1]" 1 1353 1 55 ASN H 1 56 GLY H 2.366 2.103 2.629 2.564 2.479 2.635 0.006 4 0 "[ . 1]" 1 1354 2 55 ASN H 2 56 GLY H 2.366 2.103 2.629 2.566 2.490 2.636 0.007 4 0 "[ . 1]" 1 1355 1 42 ALA H 1 43 ILE H 2.654 2.314 2.994 2.654 2.600 2.686 . 0 0 "[ . 1]" 1 1356 2 42 ALA H 2 43 ILE H 2.654 2.314 2.994 2.655 2.598 2.688 . 0 0 "[ . 1]" 1 1357 1 40 THR H 1 41 GLN H 2.654 2.315 2.993 2.773 2.727 2.807 . 0 0 "[ . 1]" 1 1358 2 40 THR H 2 41 GLN H 2.654 2.315 2.993 2.775 2.739 2.798 . 0 0 "[ . 1]" 1 1359 1 19 TYR QD 1 20 MET H 3.832 3.362 4.302 4.357 4.325 4.409 0.107 8 0 "[ . 1]" 1 1360 2 19 TYR QD 2 20 MET H 3.832 3.362 4.302 4.358 4.329 4.406 0.104 8 0 "[ . 1]" 1 1361 1 35 ASN H 1 36 ASN H 2.230 . 2.472 2.349 2.294 2.402 . 0 0 "[ . 1]" 1 1362 2 35 ASN H 2 36 ASN H 2.230 . 2.472 2.348 2.296 2.399 . 0 0 "[ . 1]" 1 1363 1 54 ARG H 1 55 ASN H 2.387 2.133 2.641 2.562 2.481 2.629 . 0 0 "[ . 1]" 1 1364 2 54 ARG H 2 55 ASN H 2.387 2.133 2.641 2.563 2.481 2.619 . 0 0 "[ . 1]" 1 1365 1 16 PHE QR 1 17 GLY H 2.884 2.574 3.194 3.239 3.195 3.286 0.092 2 0 "[ . 1]" 1 1366 2 16 PHE QR 2 17 GLY H 2.884 2.574 3.194 3.241 3.195 3.288 0.094 2 0 "[ . 1]" 1 1367 1 50 TYR QD 1 51 LEU H 2.901 2.533 3.269 3.289 3.248 3.315 0.046 7 0 "[ . 1]" 1 1368 2 50 TYR QD 2 51 LEU H 2.901 2.533 3.269 3.289 3.252 3.321 0.052 7 0 "[ . 1]" 1 1369 1 39 LEU H 1 40 THR H 2.867 2.501 3.233 2.980 2.935 3.014 . 0 0 "[ . 1]" 1 1370 2 39 LEU H 2 40 THR H 2.867 2.501 3.233 2.983 2.949 3.024 . 0 0 "[ . 1]" 1 1371 1 16 PHE H 2 18 ILE H 2.574 2.285 2.863 2.954 2.933 2.979 0.116 7 0 "[ . 1]" 1 1372 1 18 ILE H 2 16 PHE H 2.574 2.285 2.863 2.948 2.923 2.969 0.106 7 0 "[ . 1]" 1 1373 1 13 LYS H 1 14 ALA H 3.184 . 6.000 4.490 4.344 4.537 . 0 0 "[ . 1]" 1 1374 2 13 LYS H 2 14 ALA H 3.184 . 6.000 4.489 4.334 4.536 . 0 0 "[ . 1]" 1 1375 1 37 LEU H 1 38 GLN H 4.306 3.836 4.776 4.580 4.574 4.589 . 0 0 "[ . 1]" 1 1376 2 37 LEU H 2 38 GLN H 4.306 3.836 4.776 4.581 4.574 4.588 . 0 0 "[ . 1]" 1 1377 1 33 ALA H 1 34 LYS H 2.495 2.184 2.806 2.369 2.272 2.496 . 0 0 "[ . 1]" 1 1378 2 33 ALA H 2 34 LYS H 2.495 2.184 2.806 2.371 2.277 2.491 . 0 0 "[ . 1]" 1 1379 1 45 GLU H 1 46 ALA H 2.365 2.093 2.637 2.590 2.501 2.670 0.033 10 0 "[ . 1]" 1 1380 2 45 GLU H 2 46 ALA H 2.365 2.093 2.637 2.590 2.501 2.670 0.033 10 0 "[ . 1]" 1 1381 1 25 LYS H 1 26 THR H 2.271 . 2.546 2.564 2.508 2.684 0.138 8 0 "[ . 1]" 1 1382 2 25 LYS H 2 26 THR H 2.271 . 2.546 2.566 2.508 2.687 0.141 8 0 "[ . 1]" 1 1383 1 26 THR H 1 27 ARG H 2.498 2.172 2.824 2.452 2.400 2.520 . 0 0 "[ . 1]" 1 1384 2 26 THR H 2 27 ARG H 2.498 2.172 2.824 2.451 2.402 2.517 . 0 0 "[ . 1]" 1 1385 1 46 ALA H 1 47 ILE H 2.445 2.176 2.714 2.742 2.723 2.759 0.045 10 0 "[ . 1]" 1 1386 2 46 ALA H 2 47 ILE H 2.445 2.176 2.714 2.744 2.726 2.755 0.041 5 0 "[ . 1]" 1 1387 1 29 LYS H 1 32 CYS H 3.149 . 6.000 4.599 4.564 4.655 . 0 0 "[ . 1]" 1 1388 2 29 LYS H 2 32 CYS H 3.149 . 6.000 4.599 4.564 4.657 . 0 0 "[ . 1]" 1 1389 1 30 VAL H 1 32 CYS H 3.572 3.135 4.009 3.946 3.891 3.963 . 0 0 "[ . 1]" 1 1390 2 30 VAL H 2 32 CYS H 3.572 3.135 4.009 3.944 3.895 3.963 . 0 0 "[ . 1]" 1 1391 1 35 ASN HA 1 35 ASN HD21 3.699 3.282 4.116 3.788 3.734 3.822 . 0 0 "[ . 1]" 1 1392 2 35 ASN HA 2 35 ASN HD21 3.699 3.282 4.116 3.788 3.739 3.827 . 0 0 "[ . 1]" 1 1393 1 31 TYR HA 1 35 ASN HD21 2.943 2.576 3.310 3.148 2.941 3.326 0.016 6 0 "[ . 1]" 1 1394 2 31 TYR HA 2 35 ASN HD21 2.943 2.576 3.310 3.146 2.944 3.319 0.009 6 0 "[ . 1]" 1 1395 1 35 ASN HB2 1 35 ASN HD21 2.389 2.047 2.731 2.257 2.244 2.273 . 0 0 "[ . 1]" 1 1396 2 35 ASN HB2 2 35 ASN HD21 2.389 2.047 2.731 2.259 2.242 2.277 . 0 0 "[ . 1]" 1 1397 1 34 LYS QB 1 35 ASN HD21 2.948 2.565 3.331 2.818 2.677 2.976 . 0 0 "[ . 1]" 1 1398 2 34 LYS QB 2 35 ASN HD21 2.948 2.565 3.331 2.817 2.679 2.975 . 0 0 "[ . 1]" 1 1399 1 35 ASN HB3 1 35 ASN HD21 3.275 2.978 3.572 3.476 3.468 3.484 . 0 0 "[ . 1]" 1 1400 2 35 ASN HB3 2 35 ASN HD21 3.275 2.978 3.572 3.477 3.466 3.486 . 0 0 "[ . 1]" 1 1401 1 35 ASN H 1 35 ASN HA 2.661 2.370 2.952 2.925 2.921 2.929 . 0 0 "[ . 1]" 1 1402 2 35 ASN H 2 35 ASN HA 2.661 2.370 2.952 2.926 2.922 2.930 . 0 0 "[ . 1]" 1 1403 1 38 GLN QB 1 41 GLN H 2.608 2.292 2.924 2.328 2.275 2.383 0.017 2 0 "[ . 1]" 1 1404 2 38 GLN QB 2 41 GLN H 2.608 2.292 2.924 2.329 2.276 2.387 0.016 2 0 "[ . 1]" 1 1405 1 54 ARG H 1 54 ARG HB2 2.332 2.087 2.577 2.452 2.374 2.510 . 0 0 "[ . 1]" 1 1406 2 54 ARG H 2 54 ARG HB2 2.332 2.087 2.577 2.452 2.376 2.504 . 0 0 "[ . 1]" 1 1407 1 54 ARG H 1 54 ARG HB3 2.491 2.239 2.743 2.863 2.805 2.920 0.177 7 0 "[ . 1]" 1 1408 2 54 ARG H 2 54 ARG HB3 2.491 2.239 2.743 2.862 2.807 2.917 0.174 7 0 "[ . 1]" 1 1409 1 53 LYS HB2 1 54 ARG H 3.681 3.298 4.064 4.088 4.028 4.112 0.048 6 0 "[ . 1]" 1 1410 2 53 LYS HB2 2 54 ARG H 3.681 3.298 4.064 4.087 4.030 4.113 0.049 6 0 "[ . 1]" 1 1411 1 55 ASN HB3 1 55 ASN HD21 2.914 . 6.000 2.229 2.208 2.246 . 0 0 "[ . 1]" 1 1412 2 55 ASN HB3 2 55 ASN HD21 2.914 . 6.000 2.232 2.208 2.253 . 0 0 "[ . 1]" 1 1413 1 40 THR HA 1 41 GLN H 3.322 2.858 3.786 3.548 3.527 3.561 . 0 0 "[ . 1]" 1 1414 2 40 THR HA 2 41 GLN H 3.322 2.858 3.786 3.547 3.526 3.560 . 0 0 "[ . 1]" 1 1415 1 35 ASN HD21 1 37 LEU MD2 2.797 . 6.000 4.053 3.833 4.145 . 0 0 "[ . 1]" 1 1416 2 35 ASN HD21 2 37 LEU MD2 2.797 . 6.000 4.055 3.830 4.154 . 0 0 "[ . 1]" 1 1417 1 35 ASN H 1 37 LEU H 3.333 2.892 3.774 3.321 3.265 3.352 . 0 0 "[ . 1]" 1 1418 2 35 ASN H 2 37 LEU H 3.333 2.892 3.774 3.322 3.264 3.352 . 0 0 "[ . 1]" 1 1419 1 56 GLY H 2 31 TYR QD 2.522 . 6.000 3.063 2.731 3.385 . 0 0 "[ . 1]" 1 1420 1 31 TYR QD 2 56 GLY H 2.522 . 6.000 3.065 2.718 3.361 . 0 0 "[ . 1]" 1 1421 1 34 LYS H 1 36 ASN H 3.202 2.830 3.574 3.603 3.578 3.632 0.058 8 0 "[ . 1]" 1 1422 2 34 LYS H 2 36 ASN H 3.202 2.830 3.574 3.604 3.578 3.627 0.053 8 0 "[ . 1]" 1 1423 1 29 LYS H 1 31 TYR H 4.263 3.617 4.909 3.971 3.926 4.038 . 0 0 "[ . 1]" 1 1424 2 29 LYS H 2 31 TYR H 4.263 3.617 4.909 3.970 3.927 4.040 . 0 0 "[ . 1]" 1 1425 1 38 GLN H 1 39 LEU H 4.067 3.604 4.530 4.506 4.494 4.520 . 0 0 "[ . 1]" 1 1426 2 38 GLN H 2 39 LEU H 4.067 3.604 4.530 4.505 4.486 4.526 . 0 0 "[ . 1]" 1 1427 1 28 LEU H 1 29 LYS H 2.467 2.164 2.770 2.739 2.681 2.788 0.018 4 0 "[ . 1]" 1 1428 2 28 LEU H 2 29 LYS H 2.467 2.164 2.770 2.737 2.671 2.791 0.021 4 0 "[ . 1]" 1 1429 1 42 ALA H 1 44 GLU H 3.616 3.123 4.109 4.053 4.016 4.091 . 0 0 "[ . 1]" 1 1430 2 42 ALA H 2 44 GLU H 3.616 3.123 4.109 4.053 4.005 4.099 . 0 0 "[ . 1]" 1 1431 1 31 TYR QD 1 35 ASN HD21 2.536 . 6.000 3.289 3.114 3.445 . 0 0 "[ . 1]" 1 1432 2 31 TYR QD 2 35 ASN HD21 2.536 . 6.000 3.287 3.112 3.436 . 0 0 "[ . 1]" 1 1433 1 40 THR HB 1 42 ALA H 4.854 4.217 5.491 4.816 4.785 4.848 . 0 0 "[ . 1]" 1 1434 2 40 THR HB 2 42 ALA H 4.854 4.217 5.491 4.817 4.796 4.837 . 0 0 "[ . 1]" 1 1435 1 50 TYR H 1 50 TYR HA 2.468 2.217 2.719 2.833 2.815 2.853 0.134 1 0 "[ . 1]" 1 1436 2 50 TYR H 2 50 TYR HA 2.468 2.217 2.719 2.832 2.812 2.849 0.130 1 0 "[ . 1]" 1 1437 1 13 LYS HA 1 14 ALA H 1.978 . 6.000 2.209 2.075 2.280 . 0 0 "[ . 1]" 1 1438 2 13 LYS HA 2 14 ALA H 1.978 . 6.000 2.212 2.077 2.284 . 0 0 "[ . 1]" 1 1439 1 50 TYR H 1 50 TYR QB 2.008 . 2.203 2.183 2.162 2.201 . 0 0 "[ . 1]" 1 1440 2 50 TYR H 2 50 TYR QB 2.008 . 2.203 2.183 2.162 2.204 0.001 10 0 "[ . 1]" 1 1441 1 27 ARG H 1 27 ARG HE 5.900 . 6.000 4.918 4.810 5.132 . 0 0 "[ . 1]" 1 1442 2 27 ARG H 2 27 ARG HE 5.900 . 6.000 4.920 4.801 5.146 . 0 0 "[ . 1]" 1 1443 1 27 ARG QD 1 27 ARG HE 2.917 2.524 3.310 2.491 2.469 2.502 0.055 6 0 "[ . 1]" 1 1444 2 27 ARG QD 2 27 ARG HE 2.917 2.524 3.310 2.492 2.472 2.502 0.052 6 0 "[ . 1]" 1 1445 1 27 ARG HE 2 48 LYS QE 3.219 . 6.000 5.555 5.323 5.912 . 0 0 "[ . 1]" 1 1446 1 48 LYS QE 2 27 ARG HE 3.219 . 6.000 5.556 5.335 5.921 . 0 0 "[ . 1]" 1 1447 1 27 ARG HE 1 27 ARG HG3 3.686 3.285 4.087 3.613 3.591 3.637 . 0 0 "[ . 1]" 1 1448 2 27 ARG HE 2 27 ARG HG3 3.686 3.285 4.087 3.615 3.600 3.640 . 0 0 "[ . 1]" 1 1449 1 27 ARG HE 2 51 LEU MD1 5.276 4.429 6.123 5.786 5.643 5.919 . 0 0 "[ . 1]" 1 1450 1 51 LEU MD1 2 27 ARG HE 5.276 4.429 6.123 5.791 5.651 5.933 . 0 0 "[ . 1]" 1 1451 1 27 ARG HA 1 27 ARG HE 4.669 . 6.000 3.609 3.504 3.822 . 0 0 "[ . 1]" 1 1452 2 27 ARG HA 2 27 ARG HE 4.669 . 6.000 3.608 3.512 3.840 . 0 0 "[ . 1]" 1 1453 1 22 LYS H 1 23 ASP H 2.989 2.573 3.405 2.632 2.546 2.740 0.027 3 0 "[ . 1]" 1 1454 2 22 LYS H 2 23 ASP H 2.989 2.573 3.405 2.632 2.547 2.749 0.026 3 0 "[ . 1]" 1 1455 1 22 LYS H 1 24 LEU H 3.662 3.146 4.178 3.922 3.848 4.006 . 0 0 "[ . 1]" 1 1456 2 22 LYS H 2 24 LEU H 3.662 3.146 4.178 3.920 3.842 4.004 . 0 0 "[ . 1]" 1 1457 1 21 ASP HA 1 22 LYS H 2.721 2.380 3.062 2.323 2.285 2.359 0.095 4 0 "[ . 1]" 1 1458 2 21 ASP HA 2 22 LYS H 2.721 2.380 3.062 2.324 2.288 2.357 0.092 5 0 "[ . 1]" 1 1459 1 16 PHE H 1 16 PHE QR 3.624 . 6.000 4.296 4.276 4.314 . 0 0 "[ . 1]" 1 1460 2 16 PHE H 2 16 PHE QR 3.624 . 6.000 4.297 4.275 4.314 . 0 0 "[ . 1]" 1 1461 1 16 PHE H 2 19 TYR HA 4.038 3.583 4.493 3.941 3.815 4.007 . 0 0 "[ . 1]" 1 1462 1 19 TYR HA 2 16 PHE H 4.038 3.583 4.493 3.939 3.817 4.008 . 0 0 "[ . 1]" 1 1463 1 16 PHE H 1 16 PHE HA 3.449 2.918 3.980 2.902 2.896 2.908 0.022 2 0 "[ . 1]" 1 1464 2 16 PHE H 2 16 PHE HA 3.449 2.918 3.980 2.902 2.896 2.911 0.022 2 0 "[ . 1]" 1 1465 1 16 PHE H 2 17 GLY HA2 3.844 3.259 4.429 3.810 3.757 3.914 . 0 0 "[ . 1]" 1 1466 1 17 GLY HA2 2 16 PHE H 3.844 3.259 4.429 3.810 3.767 3.896 . 0 0 "[ . 1]" 1 1467 1 15 VAL HB 1 16 PHE H 2.752 2.420 3.084 3.248 3.234 3.272 0.188 8 0 "[ . 1]" 1 1468 2 15 VAL HB 2 16 PHE H 2.752 2.420 3.084 3.250 3.237 3.274 0.190 8 0 "[ . 1]" 1 1469 1 16 PHE H 2 18 ILE HB 3.437 . 6.000 5.593 5.547 5.647 . 0 0 "[ . 1]" 1 1470 1 18 ILE HB 2 16 PHE H 3.437 . 6.000 5.586 5.550 5.648 . 0 0 "[ . 1]" 1 1471 1 39 LEU H 1 41 GLN H 5.393 4.442 6.344 4.430 4.403 4.482 0.039 8 0 "[ . 1]" 1 1472 2 39 LEU H 2 41 GLN H 5.393 4.442 6.344 4.435 4.391 4.475 0.051 4 0 "[ . 1]" 1 1473 1 37 LEU HA 1 39 LEU H 4.716 . 6.000 6.106 6.087 6.122 0.122 5 0 "[ . 1]" 1 1474 2 37 LEU HA 2 39 LEU H 4.716 . 6.000 6.104 6.082 6.123 0.123 10 0 "[ . 1]" 1 1475 1 38 GLN HG2 1 39 LEU H 4.008 3.612 4.404 4.345 4.231 4.435 0.031 2 0 "[ . 1]" 1 1476 2 38 GLN HG2 2 39 LEU H 4.008 3.612 4.404 4.348 4.241 4.443 0.039 2 0 "[ . 1]" 1 1477 1 20 MET H 1 21 ASP H 4.466 3.896 5.036 4.545 4.523 4.561 . 0 0 "[ . 1]" 1 1478 2 20 MET H 2 21 ASP H 4.466 3.896 5.036 4.545 4.525 4.562 . 0 0 "[ . 1]" 1 1479 1 21 ASP H 1 24 LEU QD 2.987 2.465 3.509 3.179 2.935 3.423 . 0 0 "[ . 1]" 1 1480 2 21 ASP H 2 24 LEU QD 2.987 2.465 3.509 3.178 2.930 3.409 . 0 0 "[ . 1]" 1 1481 1 14 ALA H 2 20 MET H 2.675 . 6.000 3.463 3.292 3.602 . 0 0 "[ . 1]" 1 1482 1 20 MET H 2 14 ALA H 2.675 . 6.000 3.458 3.290 3.591 . 0 0 "[ . 1]" 1 1483 1 14 ALA H 1 15 VAL H 3.609 . 6.000 4.393 4.372 4.428 . 0 0 "[ . 1]" 1 1484 2 14 ALA H 2 15 VAL H 3.609 . 6.000 4.394 4.373 4.432 . 0 0 "[ . 1]" 1 1485 1 14 ALA H 2 19 TYR HA 3.917 3.333 4.501 4.156 4.078 4.280 . 0 0 "[ . 1]" 1 1486 1 19 TYR HA 2 14 ALA H 3.917 3.333 4.501 4.151 4.082 4.270 . 0 0 "[ . 1]" 1 1487 1 14 ALA H 2 22 LYS HA 4.132 3.482 4.782 4.429 4.263 4.568 . 0 0 "[ . 1]" 1 1488 1 22 LYS HA 2 14 ALA H 4.132 3.482 4.782 4.430 4.246 4.605 . 0 0 "[ . 1]" 1 1489 1 13 LYS QE 1 14 ALA H 6.353 5.514 7.192 5.937 5.671 6.256 . 0 0 "[ . 1]" 1 1490 2 13 LYS QE 2 14 ALA H 6.353 5.514 7.192 5.935 5.670 6.254 . 0 0 "[ . 1]" 1 1491 1 14 ALA H 2 19 TYR HB3 5.204 4.161 6.247 4.191 4.145 4.331 0.016 10 0 "[ . 1]" 1 1492 1 19 TYR HB3 2 14 ALA H 5.204 4.161 6.247 4.186 4.142 4.337 0.019 1 0 "[ . 1]" 1 1493 1 19 TYR H 1 19 TYR QD 2.950 2.543 3.357 3.190 3.081 3.238 . 0 0 "[ . 1]" 1 1494 2 19 TYR H 2 19 TYR QD 2.950 2.543 3.357 3.194 3.078 3.242 . 0 0 "[ . 1]" 1 1495 1 19 TYR H 1 19 TYR QE 6.170 4.649 7.691 4.899 4.823 4.937 . 0 0 "[ . 1]" 1 1496 2 19 TYR H 2 19 TYR QE 6.170 4.649 7.691 4.902 4.819 4.941 . 0 0 "[ . 1]" 1 1497 1 19 TYR H 1 19 TYR HA 2.826 2.440 3.212 2.940 2.934 2.943 . 0 0 "[ . 1]" 1 1498 2 19 TYR H 2 19 TYR HA 2.826 2.440 3.212 2.939 2.936 2.942 . 0 0 "[ . 1]" 1 1499 1 19 TYR H 1 19 TYR HB2 2.578 2.240 2.916 2.573 2.542 2.617 . 0 0 "[ . 1]" 1 1500 2 19 TYR H 2 19 TYR HB2 2.578 2.240 2.916 2.574 2.542 2.618 . 0 0 "[ . 1]" 1 1501 1 19 TYR H 1 19 TYR HB3 3.832 3.436 4.228 3.724 3.705 3.750 . 0 0 "[ . 1]" 1 1502 2 19 TYR H 2 19 TYR HB3 3.832 3.436 4.228 3.724 3.706 3.752 . 0 0 "[ . 1]" 1 1503 1 19 TYR H 2 40 THR MG 2.453 . 2.984 2.542 2.357 2.766 . 0 0 "[ . 1]" 1 1504 1 40 THR MG 2 19 TYR H 2.453 . 2.984 2.537 2.371 2.753 . 0 0 "[ . 1]" 1 1505 1 18 ILE HG12 1 19 TYR H 4.281 3.811 4.751 4.694 4.562 4.757 0.006 3 0 "[ . 1]" 1 1506 2 18 ILE HG12 2 19 TYR H 4.281 3.811 4.751 4.691 4.562 4.762 0.011 3 0 "[ . 1]" 1 1507 1 18 ILE HG13 1 19 TYR H 3.885 3.298 4.472 3.678 3.486 3.776 . 0 0 "[ . 1]" 1 1508 2 18 ILE HG13 2 19 TYR H 3.885 3.298 4.472 3.674 3.489 3.784 . 0 0 "[ . 1]" 1 1509 1 23 ASP H 1 24 LEU H 2.514 2.210 2.818 2.853 2.810 2.880 0.062 8 0 "[ . 1]" 1 1510 2 23 ASP H 2 24 LEU H 2.514 2.210 2.818 2.855 2.818 2.880 0.062 5 0 "[ . 1]" 1 1511 1 24 LEU H 1 24 LEU HA 2.917 2.544 3.290 2.839 2.815 2.859 . 0 0 "[ . 1]" 1 1512 2 24 LEU H 2 24 LEU HA 2.917 2.544 3.290 2.839 2.815 2.862 . 0 0 "[ . 1]" 1 1513 1 22 LYS HA 1 24 LEU H 3.854 3.257 4.451 4.299 4.182 4.405 . 0 0 "[ . 1]" 1 1514 2 22 LYS HA 2 24 LEU H 3.854 3.257 4.451 4.296 4.180 4.417 . 0 0 "[ . 1]" 1 1515 1 24 LEU H 1 24 LEU HB2 2.975 2.642 3.308 2.720 2.611 2.888 0.031 10 0 "[ . 1]" 1 1516 2 24 LEU H 2 24 LEU HB2 2.975 2.642 3.308 2.720 2.613 2.888 0.029 10 0 "[ . 1]" 1 1517 1 24 LEU H 1 24 LEU HB3 2.330 2.037 2.623 2.168 2.108 2.210 . 0 0 "[ . 1]" 1 1518 2 24 LEU H 2 24 LEU HB3 2.330 2.037 2.623 2.167 2.104 2.204 . 0 0 "[ . 1]" 1 1519 1 24 LEU H 1 24 LEU QD 3.029 2.613 3.445 3.507 3.471 3.557 0.112 8 0 "[ . 1]" 1 1520 2 24 LEU H 2 24 LEU QD 3.029 2.613 3.445 3.506 3.468 3.554 0.109 8 0 "[ . 1]" 1 1521 1 24 LEU H 1 26 THR MG 5.178 4.287 6.069 5.826 5.754 5.901 . 0 0 "[ . 1]" 1 1522 2 24 LEU H 2 26 THR MG 5.178 4.287 6.069 5.825 5.748 5.900 . 0 0 "[ . 1]" 1 1523 1 32 CYS H 1 33 ALA H 2.583 2.250 2.916 2.489 2.448 2.562 . 0 0 "[ . 1]" 1 1524 2 32 CYS H 2 33 ALA H 2.583 2.250 2.916 2.488 2.453 2.558 . 0 0 "[ . 1]" 1 1525 1 40 THR H 1 42 ALA H 4.315 3.626 5.004 4.095 4.051 4.158 . 0 0 "[ . 1]" 1 1526 2 40 THR H 2 42 ALA H 4.315 3.626 5.004 4.097 4.057 4.154 . 0 0 "[ . 1]" 1 1527 1 33 ALA H 1 35 ASN H 3.762 3.306 4.218 4.005 3.947 4.087 . 0 0 "[ . 1]" 1 1528 2 33 ALA H 2 35 ASN H 3.762 3.306 4.218 4.005 3.944 4.078 . 0 0 "[ . 1]" 1 1529 1 42 ALA H 2 50 TYR QE 5.589 4.384 6.794 5.776 5.694 5.856 . 0 0 "[ . 1]" 1 1530 1 50 TYR QE 2 42 ALA H 5.589 4.384 6.794 5.772 5.687 5.854 . 0 0 "[ . 1]" 1 1531 1 41 GLN HA 1 42 ALA H 2.927 . 6.000 3.516 3.504 3.523 . 0 0 "[ . 1]" 1 1532 2 41 GLN HA 2 42 ALA H 2.927 . 6.000 3.516 3.504 3.524 . 0 0 "[ . 1]" 1 1533 1 40 THR HA 1 42 ALA H 3.669 3.136 4.202 4.247 4.234 4.263 0.061 4 0 "[ . 1]" 1 1534 2 40 THR HA 2 42 ALA H 3.669 3.136 4.202 4.248 4.231 4.263 0.061 4 0 "[ . 1]" 1 1535 1 30 VAL HA 1 33 ALA H 2.838 2.467 3.209 3.077 2.978 3.136 . 0 0 "[ . 1]" 1 1536 2 30 VAL HA 2 33 ALA H 2.838 2.467 3.209 3.076 2.977 3.134 . 0 0 "[ . 1]" 1 1537 1 30 VAL HB 1 33 ALA H 6.170 5.081 7.259 5.221 5.123 5.358 . 0 0 "[ . 1]" 1 1538 2 30 VAL HB 2 33 ALA H 6.170 5.081 7.259 5.221 5.129 5.361 . 0 0 "[ . 1]" 1 1539 1 38 GLN QB 1 42 ALA H 4.247 3.723 4.771 3.832 3.686 3.960 0.037 2 0 "[ . 1]" 1 1540 2 38 GLN QB 2 42 ALA H 4.247 3.723 4.771 3.834 3.686 3.961 0.037 2 0 "[ . 1]" 1 1541 1 13 LYS H 1 13 LYS QB 3.464 3.041 3.887 2.907 2.821 3.019 0.220 5 0 "[ . 1]" 1 1542 2 13 LYS H 2 13 LYS QB 3.464 3.041 3.887 2.907 2.824 3.024 0.217 5 0 "[ . 1]" 1 1543 1 30 VAL MG1 1 33 ALA H 2.585 . 6.000 4.317 4.211 4.430 . 0 0 "[ . 1]" 1 1544 2 30 VAL MG1 2 33 ALA H 2.585 . 6.000 4.317 4.213 4.424 . 0 0 "[ . 1]" 1 1545 1 42 ALA H 1 43 ILE MD 2.683 . 6.000 4.165 4.109 4.188 . 0 0 "[ . 1]" 1 1546 2 42 ALA H 2 43 ILE MD 2.683 . 6.000 4.166 4.109 4.189 . 0 0 "[ . 1]" 1 1547 1 49 GLU H 1 50 TYR H 2.533 2.225 2.841 2.606 2.518 2.728 . 0 0 "[ . 1]" 1 1548 2 49 GLU H 2 50 TYR H 2.533 2.225 2.841 2.603 2.517 2.720 . 0 0 "[ . 1]" 1 1549 1 50 TYR H 1 51 LEU H 2.484 2.194 2.774 2.549 2.457 2.631 . 0 0 "[ . 1]" 1 1550 2 50 TYR H 2 51 LEU H 2.484 2.194 2.774 2.550 2.462 2.637 . 0 0 "[ . 1]" 1 1551 1 50 TYR H 1 53 LYS H 4.918 4.069 5.767 4.444 4.397 4.480 . 0 0 "[ . 1]" 1 1552 2 50 TYR H 2 53 LYS H 4.918 4.069 5.767 4.444 4.397 4.483 . 0 0 "[ . 1]" 1 1553 1 50 TYR H 1 50 TYR QD 3.595 3.214 3.976 4.104 4.075 4.127 0.151 9 0 "[ . 1]" 1 1554 2 50 TYR H 2 50 TYR QD 3.595 3.214 3.976 4.104 4.075 4.125 0.149 9 0 "[ . 1]" 1 1555 1 47 ILE HA 1 50 TYR H 3.139 2.787 3.491 3.455 3.411 3.508 0.017 8 0 "[ . 1]" 1 1556 2 47 ILE HA 2 50 TYR H 3.139 2.787 3.491 3.456 3.414 3.506 0.015 8 0 "[ . 1]" 1 1557 1 49 GLU HG2 1 50 TYR H 4.362 . 6.000 5.350 4.814 5.585 . 0 0 "[ . 1]" 1 1558 2 49 GLU HG2 2 50 TYR H 4.362 . 6.000 5.346 4.809 5.589 . 0 0 "[ . 1]" 1 1559 1 49 GLU HG3 1 50 TYR H 5.083 4.463 5.703 5.102 4.875 5.504 . 0 0 "[ . 1]" 1 1560 2 49 GLU HG3 2 50 TYR H 5.083 4.463 5.703 5.099 4.877 5.507 . 0 0 "[ . 1]" 1 1561 1 49 GLU QB 1 50 TYR H 2.866 2.557 3.175 3.146 3.022 3.228 0.053 1 0 "[ . 1]" 1 1562 2 49 GLU QB 2 50 TYR H 2.866 2.557 3.175 3.144 3.009 3.227 0.052 1 0 "[ . 1]" 1 1563 1 48 LYS HB3 1 50 TYR H 3.920 3.475 4.365 4.408 4.375 4.449 0.084 6 0 "[ . 1]" 1 1564 2 48 LYS HB3 2 50 TYR H 3.920 3.475 4.365 4.408 4.374 4.452 0.087 6 0 "[ . 1]" 1 1565 1 50 TYR H 1 51 LEU MD2 3.286 . 6.000 4.227 4.148 4.316 . 0 0 "[ . 1]" 1 1566 2 50 TYR H 2 51 LEU MD2 3.286 . 6.000 4.229 4.143 4.322 . 0 0 "[ . 1]" 1 1567 1 11 LYS H 1 12 GLN QG 4.188 . 6.000 4.985 3.792 6.866 0.866 6 1 "[ .+ 1]" 1 1568 2 11 LYS H 2 12 GLN QG 4.188 . 6.000 4.981 3.797 6.872 0.872 6 1 "[ .+ 1]" 1 1569 1 26 THR H 1 29 LYS H 3.922 3.366 4.478 4.356 4.315 4.399 . 0 0 "[ . 1]" 1 1570 2 26 THR H 2 29 LYS H 3.922 3.366 4.478 4.355 4.318 4.397 . 0 0 "[ . 1]" 1 1571 1 31 TYR H 1 31 TYR QE 4.988 . 6.000 6.166 6.155 6.173 0.173 8 0 "[ . 1]" 1 1572 2 31 TYR H 2 31 TYR QE 4.988 . 6.000 6.166 6.157 6.175 0.175 9 0 "[ . 1]" 1 1573 1 30 VAL HA 1 31 TYR H 2.993 2.624 3.362 3.459 3.454 3.464 0.102 9 0 "[ . 1]" 1 1574 2 30 VAL HA 2 31 TYR H 2.993 2.624 3.362 3.459 3.451 3.462 0.100 9 0 "[ . 1]" 1 1575 1 25 LYS HA 1 28 LEU H 3.236 2.766 3.706 3.693 3.626 3.792 0.086 8 0 "[ . 1]" 1 1576 2 25 LYS HA 2 28 LEU H 3.236 2.766 3.706 3.692 3.630 3.792 0.086 8 0 "[ . 1]" 1 1577 1 30 VAL HB 1 31 TYR H 2.404 2.114 2.694 2.717 2.697 2.744 0.050 1 0 "[ . 1]" 1 1578 2 30 VAL HB 2 31 TYR H 2.404 2.114 2.694 2.716 2.699 2.749 0.055 1 0 "[ . 1]" 1 1579 1 28 LEU H 1 28 LEU HB2 2.296 2.021 2.571 2.312 2.245 2.359 . 0 0 "[ . 1]" 1 1580 2 28 LEU H 2 28 LEU HB2 2.296 2.021 2.571 2.312 2.239 2.360 . 0 0 "[ . 1]" 1 1581 1 30 VAL MG2 1 31 TYR H 2.937 . 6.000 3.790 3.743 3.827 . 0 0 "[ . 1]" 1 1582 2 30 VAL MG2 2 31 TYR H 2.937 . 6.000 3.789 3.744 3.828 . 0 0 "[ . 1]" 1 1583 1 28 LEU H 1 28 LEU MD1 3.077 . 6.000 4.162 4.150 4.180 . 0 0 "[ . 1]" 1 1584 2 28 LEU H 2 28 LEU MD1 3.077 . 6.000 4.161 4.152 4.179 . 0 0 "[ . 1]" 1 1585 1 28 LEU H 2 51 LEU MD1 3.071 . 6.000 4.209 4.126 4.315 . 0 0 "[ . 1]" 1 1586 1 51 LEU MD1 2 28 LEU H 3.071 . 6.000 4.210 4.119 4.310 . 0 0 "[ . 1]" 1 1587 1 27 ARG H 1 28 LEU H 2.647 2.304 2.990 2.804 2.781 2.825 . 0 0 "[ . 1]" 1 1588 2 27 ARG H 2 28 LEU H 2.647 2.304 2.990 2.802 2.774 2.837 . 0 0 "[ . 1]" 1 1589 1 30 VAL H 1 31 TYR H 2.630 2.280 2.980 2.521 2.477 2.542 . 0 0 "[ . 1]" 1 1590 2 30 VAL H 2 31 TYR H 2.630 2.280 2.980 2.521 2.480 2.539 . 0 0 "[ . 1]" 1 1591 1 48 LYS H 1 50 TYR H 2.829 . 6.000 3.584 3.497 3.669 . 0 0 "[ . 1]" 1 1592 2 48 LYS H 2 50 TYR H 2.829 . 6.000 3.581 3.494 3.665 . 0 0 "[ . 1]" 1 1593 1 15 VAL H 2 19 TYR QE 3.472 . 6.000 5.295 5.169 5.469 . 0 0 "[ . 1]" 1 1594 1 19 TYR QE 2 15 VAL H 3.472 . 6.000 5.292 5.144 5.473 . 0 0 "[ . 1]" 1 1595 1 15 VAL H 2 19 TYR HA 5.966 . 6.000 4.695 4.655 4.725 . 0 0 "[ . 1]" 1 1596 1 19 TYR HA 2 15 VAL H 5.966 . 6.000 4.694 4.661 4.727 . 0 0 "[ . 1]" 1 1597 1 28 LEU HA 1 30 VAL H 4.787 3.914 5.660 4.220 4.139 4.325 . 0 0 "[ . 1]" 1 1598 2 28 LEU HA 2 30 VAL H 4.787 3.914 5.660 4.218 4.140 4.316 . 0 0 "[ . 1]" 1 1599 1 45 GLU HA 1 48 LYS H 3.114 2.755 3.473 3.490 3.427 3.554 0.081 8 0 "[ . 1]" 1 1600 2 45 GLU HA 2 48 LYS H 3.114 2.755 3.473 3.489 3.421 3.558 0.085 8 0 "[ . 1]" 1 1601 1 26 THR HA 1 27 ARG H 3.074 2.696 3.452 3.503 3.489 3.523 0.071 10 0 "[ . 1]" 1 1602 2 26 THR HA 2 27 ARG H 3.074 2.696 3.452 3.502 3.486 3.526 0.074 10 0 "[ . 1]" 1 1603 1 48 LYS H 1 48 LYS HA 2.649 2.272 3.026 2.839 2.818 2.856 . 0 0 "[ . 1]" 1 1604 2 48 LYS H 2 48 LYS HA 2.649 2.272 3.026 2.839 2.821 2.856 . 0 0 "[ . 1]" 1 1605 1 27 ARG QD 1 30 VAL H 3.738 . 6.000 4.608 4.414 4.835 . 0 0 "[ . 1]" 1 1606 2 27 ARG QD 2 30 VAL H 3.738 . 6.000 4.610 4.414 4.835 . 0 0 "[ . 1]" 1 1607 1 48 LYS H 1 48 LYS HB3 2.118 . 2.352 2.384 2.321 2.427 0.075 4 0 "[ . 1]" 1 1608 2 48 LYS H 2 48 LYS HB3 2.118 . 2.352 2.381 2.317 2.423 0.071 4 0 "[ . 1]" 1 1609 1 15 VAL H 1 15 VAL HB 2.593 2.288 2.898 2.862 2.838 2.909 0.011 5 0 "[ . 1]" 1 1610 2 15 VAL H 2 15 VAL HB 2.593 2.288 2.898 2.862 2.837 2.906 0.008 5 0 "[ . 1]" 1 1611 1 48 LYS H 1 48 LYS HB2 2.368 2.114 2.622 2.643 2.614 2.677 0.055 10 0 "[ . 1]" 1 1612 2 48 LYS H 2 48 LYS HB2 2.368 2.114 2.622 2.644 2.616 2.678 0.056 10 0 "[ . 1]" 1 1613 1 29 LYS QG 1 30 VAL H 3.944 3.516 4.372 4.136 3.987 4.209 . 0 0 "[ . 1]" 1 1614 2 29 LYS QG 2 30 VAL H 3.944 3.516 4.372 4.135 3.998 4.203 . 0 0 "[ . 1]" 1 1615 1 14 ALA MB 1 15 VAL H 1.932 . 2.247 2.286 2.218 2.355 0.108 8 0 "[ . 1]" 1 1616 2 14 ALA MB 2 15 VAL H 1.932 . 2.247 2.289 2.223 2.355 0.108 8 0 "[ . 1]" 1 1617 1 27 ARG H 2 51 LEU MD2 3.424 . 6.000 4.617 4.560 4.660 . 0 0 "[ . 1]" 1 1618 1 51 LEU MD2 2 27 ARG H 3.424 . 6.000 4.614 4.581 4.650 . 0 0 "[ . 1]" 1 1619 1 15 VAL H 1 15 VAL MG1 2.510 . 6.000 3.889 3.865 3.915 . 0 0 "[ . 1]" 1 1620 2 15 VAL H 2 15 VAL MG1 2.510 . 6.000 3.889 3.868 3.912 . 0 0 "[ . 1]" 1 1621 1 42 ALA H 1 46 ALA H 4.076 . 6.000 5.759 5.707 5.789 . 0 0 "[ . 1]" 1 1622 2 42 ALA H 2 46 ALA H 4.076 . 6.000 5.756 5.710 5.792 . 0 0 "[ . 1]" 1 1623 1 46 ALA H 2 50 TYR QD 3.666 . 6.000 4.250 4.212 4.291 . 0 0 "[ . 1]" 1 1624 1 50 TYR QD 2 46 ALA H 3.666 . 6.000 4.248 4.206 4.283 . 0 0 "[ . 1]" 1 1625 1 46 ALA H 2 50 TYR QE 3.741 3.189 4.293 4.086 4.025 4.144 . 0 0 "[ . 1]" 1 1626 1 50 TYR QE 2 46 ALA H 3.741 3.189 4.293 4.083 4.031 4.139 . 0 0 "[ . 1]" 1 1627 1 22 LYS HA 1 23 ASP H 3.494 3.072 3.916 3.548 3.527 3.565 . 0 0 "[ . 1]" 1 1628 2 22 LYS HA 2 23 ASP H 3.494 3.072 3.916 3.549 3.527 3.566 . 0 0 "[ . 1]" 1 1629 1 44 GLU HA 1 46 ALA H 3.832 3.221 4.443 4.223 4.142 4.277 . 0 0 "[ . 1]" 1 1630 2 44 GLU HA 2 46 ALA H 3.832 3.221 4.443 4.222 4.134 4.265 . 0 0 "[ . 1]" 1 1631 1 48 LYS H 1 50 TYR QB 3.850 3.342 4.358 4.196 4.136 4.262 . 0 0 "[ . 1]" 1 1632 2 48 LYS H 2 50 TYR QB 3.850 3.342 4.358 4.194 4.131 4.267 . 0 0 "[ . 1]" 1 1633 1 22 LYS QG 1 23 ASP H 2.690 2.391 2.989 2.994 2.921 3.043 0.054 3 0 "[ . 1]" 1 1634 2 22 LYS QG 2 23 ASP H 2.690 2.391 2.989 2.993 2.917 3.040 0.051 3 0 "[ . 1]" 1 1635 1 30 VAL H 2 51 LEU MD2 3.834 . 6.000 5.587 5.519 5.664 . 0 0 "[ . 1]" 1 1636 1 51 LEU MD2 2 30 VAL H 3.834 . 6.000 5.585 5.520 5.651 . 0 0 "[ . 1]" 1 1637 1 16 PHE QR 1 18 ILE H 3.527 . 6.000 4.286 4.209 4.325 . 0 0 "[ . 1]" 1 1638 2 16 PHE QR 2 18 ILE H 3.527 . 6.000 4.285 4.210 4.320 . 0 0 "[ . 1]" 1 1639 1 19 TYR HA 1 20 MET H 2.228 . 2.497 2.169 2.144 2.196 . 0 0 "[ . 1]" 1 1640 2 19 TYR HA 2 20 MET H 2.228 . 2.497 2.170 2.144 2.199 . 0 0 "[ . 1]" 1 1641 1 20 MET H 1 20 MET HA 3.154 2.701 3.607 2.949 2.946 2.954 . 0 0 "[ . 1]" 1 1642 2 20 MET H 2 20 MET HA 3.154 2.701 3.607 2.948 2.944 2.952 . 0 0 "[ . 1]" 1 1643 1 20 MET H 2 15 VAL HA 3.388 2.943 3.833 3.248 3.157 3.406 . 0 0 "[ . 1]" 1 1644 1 15 VAL HA 2 20 MET H 3.388 2.943 3.833 3.252 3.161 3.412 . 0 0 "[ . 1]" 1 1645 1 17 GLY HA3 1 18 ILE H 3.792 3.444 4.140 3.443 3.424 3.463 0.020 9 0 "[ . 1]" 1 1646 2 17 GLY HA3 2 18 ILE H 3.792 3.444 4.140 3.443 3.424 3.469 0.020 9 0 "[ . 1]" 1 1647 1 20 MET H 1 20 MET HG2 2.408 2.039 2.777 2.111 1.991 2.837 0.060 8 0 "[ . 1]" 1 1648 2 20 MET H 2 20 MET HG2 2.408 2.039 2.777 2.110 1.989 2.841 0.064 8 0 "[ . 1]" 1 1649 1 22 LYS QB 1 23 ASP H 2.401 2.108 2.694 2.158 2.125 2.218 . 0 0 "[ . 1]" 1 1650 2 22 LYS QB 2 23 ASP H 2.401 2.108 2.694 2.157 2.117 2.219 . 0 0 "[ . 1]" 1 1651 1 18 ILE H 1 18 ILE HB 3.718 3.210 4.226 3.784 3.769 3.803 . 0 0 "[ . 1]" 1 1652 2 18 ILE H 2 18 ILE HB 3.718 3.210 4.226 3.785 3.767 3.806 . 0 0 "[ . 1]" 1 1653 1 46 ALA HA 1 47 ILE H 3.443 2.946 3.940 3.546 3.539 3.558 . 0 0 "[ . 1]" 1 1654 2 46 ALA HA 2 47 ILE H 3.443 2.946 3.940 3.545 3.540 3.553 . 0 0 "[ . 1]" 1 1655 1 44 GLU HA 1 47 ILE H 3.220 2.773 3.667 3.483 3.432 3.537 . 0 0 "[ . 1]" 1 1656 2 44 GLU HA 2 47 ILE H 3.220 2.773 3.667 3.483 3.438 3.535 . 0 0 "[ . 1]" 1 1657 1 52 GLN H 1 52 GLN HG2 3.940 3.576 4.304 4.196 4.118 4.262 . 0 0 "[ . 1]" 1 1658 2 52 GLN H 2 52 GLN HG2 3.940 3.576 4.304 4.198 4.123 4.261 . 0 0 "[ . 1]" 1 1659 1 51 LEU HB3 1 52 GLN H 2.988 2.638 3.338 3.351 3.289 3.407 0.069 9 0 "[ . 1]" 1 1660 2 51 LEU HB3 2 52 GLN H 2.988 2.638 3.338 3.352 3.289 3.410 0.072 9 0 "[ . 1]" 1 1661 1 51 LEU MD1 1 52 GLN H 2.785 . 6.000 4.449 4.410 4.476 . 0 0 "[ . 1]" 1 1662 2 51 LEU MD1 2 52 GLN H 2.785 . 6.000 4.450 4.411 4.471 . 0 0 "[ . 1]" 1 1663 1 38 GLN H 1 41 GLN HE22 3.790 3.315 4.265 3.758 3.471 4.050 . 0 0 "[ . 1]" 1 1664 2 38 GLN H 2 41 GLN HE22 3.790 3.315 4.265 3.761 3.463 4.054 . 0 0 "[ . 1]" 1 1665 1 38 GLN H 1 41 GLN H 4.232 3.737 4.727 4.270 4.116 4.389 . 0 0 "[ . 1]" 1 1666 2 38 GLN H 2 41 GLN H 4.232 3.737 4.727 4.269 4.118 4.400 . 0 0 "[ . 1]" 1 1667 1 52 GLN H 1 54 ARG H 4.067 3.488 4.646 3.731 3.686 3.760 . 0 0 "[ . 1]" 1 1668 2 52 GLN H 2 54 ARG H 4.067 3.488 4.646 3.729 3.683 3.762 . 0 0 "[ . 1]" 1 1669 1 37 LEU HA 1 38 GLN H 2.424 2.135 2.713 2.364 2.336 2.393 . 0 0 "[ . 1]" 1 1670 2 37 LEU HA 2 38 GLN H 2.424 2.135 2.713 2.364 2.342 2.392 . 0 0 "[ . 1]" 1 1671 1 38 GLN H 1 41 GLN HA 6.053 5.277 6.829 5.622 5.510 5.722 . 0 0 "[ . 1]" 1 1672 2 38 GLN H 2 41 GLN HA 6.053 5.277 6.829 5.622 5.502 5.735 . 0 0 "[ . 1]" 1 1673 1 52 GLN H 1 52 GLN HA 2.784 2.475 3.093 2.872 2.857 2.883 . 0 0 "[ . 1]" 1 1674 2 52 GLN H 2 52 GLN HA 2.784 2.475 3.093 2.872 2.856 2.884 . 0 0 "[ . 1]" 1 1675 1 52 GLN H 1 52 GLN HB2 2.310 2.010 2.610 2.252 2.160 2.327 . 0 0 "[ . 1]" 1 1676 2 52 GLN H 2 52 GLN HB2 2.310 2.010 2.610 2.254 2.156 2.331 . 0 0 "[ . 1]" 1 1677 1 37 LEU HG 1 38 GLN H 2.624 2.306 2.942 2.819 2.718 2.963 0.021 4 0 "[ . 1]" 1 1678 2 37 LEU HG 2 38 GLN H 2.624 2.306 2.942 2.820 2.715 2.958 0.016 4 0 "[ . 1]" 1 1679 1 37 LEU MD1 1 38 GLN H 2.875 . 6.000 3.790 3.682 3.861 . 0 0 "[ . 1]" 1 1680 2 37 LEU MD1 2 38 GLN H 2.875 . 6.000 3.792 3.684 3.866 . 0 0 "[ . 1]" 1 1681 1 41 GLN H 1 42 ALA H 2.521 2.226 2.816 2.724 2.683 2.757 . 0 0 "[ . 1]" 1 1682 2 41 GLN H 2 42 ALA H 2.521 2.226 2.816 2.724 2.703 2.752 . 0 0 "[ . 1]" 1 1683 1 38 GLN HA 1 41 GLN H 5.276 4.520 6.032 4.520 4.494 4.566 0.026 4 0 "[ . 1]" 1 1684 2 38 GLN HA 2 41 GLN H 5.276 4.520 6.032 4.524 4.489 4.570 0.031 4 0 "[ . 1]" 1 1685 1 41 GLN H 1 41 GLN HB2 2.039 . 2.271 2.324 2.258 2.371 0.100 2 0 "[ . 1]" 1 1686 2 41 GLN H 2 41 GLN HB2 2.039 . 2.271 2.324 2.268 2.374 0.103 2 0 "[ . 1]" 1 1687 1 39 LEU HB3 1 41 GLN H 4.104 . 6.000 5.117 5.080 5.217 . 0 0 "[ . 1]" 1 1688 2 39 LEU HB3 2 41 GLN H 4.104 . 6.000 5.119 5.071 5.225 . 0 0 "[ . 1]" 1 1689 1 41 GLN H 1 42 ALA MB 2.811 . 6.000 4.388 4.355 4.428 . 0 0 "[ . 1]" 1 1690 2 41 GLN H 2 42 ALA MB 2.811 . 6.000 4.388 4.368 4.414 . 0 0 "[ . 1]" 1 1691 1 23 ASP H 1 25 LYS H 4.104 . 6.000 4.661 4.598 4.784 . 0 0 "[ . 1]" 1 1692 2 23 ASP H 2 25 LYS H 4.104 . 6.000 4.665 4.588 4.782 . 0 0 "[ . 1]" 1 1693 1 21 ASP HA 1 25 LYS H 4.082 . 6.000 5.233 5.153 5.340 . 0 0 "[ . 1]" 1 1694 2 21 ASP HA 2 25 LYS H 4.082 . 6.000 5.235 5.151 5.341 . 0 0 "[ . 1]" 1 1695 1 24 LEU HA 1 25 LYS H 3.679 3.159 4.199 3.595 3.572 3.608 . 0 0 "[ . 1]" 1 1696 2 24 LEU HA 2 25 LYS H 3.679 3.159 4.199 3.595 3.572 3.607 . 0 0 "[ . 1]" 1 1697 1 22 LYS HA 1 25 LYS H 3.210 2.784 3.636 3.723 3.676 3.824 0.188 8 0 "[ . 1]" 1 1698 2 22 LYS HA 2 25 LYS H 3.210 2.784 3.636 3.721 3.671 3.818 0.182 8 0 "[ . 1]" 1 1699 1 25 LYS H 1 25 LYS HA 2.609 2.273 2.945 2.806 2.774 2.819 . 0 0 "[ . 1]" 1 1700 2 25 LYS H 2 25 LYS HA 2.609 2.273 2.945 2.806 2.775 2.822 . 0 0 "[ . 1]" 1 1701 1 24 LEU HB3 1 25 LYS H 2.190 . 2.465 2.427 2.372 2.469 0.004 3 0 "[ . 1]" 1 1702 2 24 LEU HB3 2 25 LYS H 2.190 . 2.465 2.427 2.374 2.476 0.011 3 0 "[ . 1]" 1 1703 1 25 LYS H 1 25 LYS HG2 3.870 . 6.000 4.485 4.464 4.531 . 0 0 "[ . 1]" 1 1704 2 25 LYS H 2 25 LYS HG2 3.870 . 6.000 4.487 4.468 4.529 . 0 0 "[ . 1]" 1 1705 1 25 LYS H 1 25 LYS HG3 3.717 . 6.000 4.317 4.169 4.366 . 0 0 "[ . 1]" 1 1706 2 25 LYS H 2 25 LYS HG3 3.717 . 6.000 4.316 4.168 4.370 . 0 0 "[ . 1]" 1 1707 1 42 ALA H 1 45 GLU H 4.684 3.918 5.450 4.662 4.626 4.736 . 0 0 "[ . 1]" 1 1708 2 42 ALA H 2 45 GLU H 4.684 3.918 5.450 4.662 4.626 4.739 . 0 0 "[ . 1]" 1 1709 1 45 GLU H 2 50 TYR QD 6.375 4.984 7.766 6.070 6.002 6.117 . 0 0 "[ . 1]" 1 1710 1 50 TYR QD 2 45 GLU H 6.375 4.984 7.766 6.069 5.996 6.122 . 0 0 "[ . 1]" 1 1711 1 45 GLU H 2 50 TYR QE 4.444 . 6.000 5.159 5.112 5.209 . 0 0 "[ . 1]" 1 1712 1 50 TYR QE 2 45 GLU H 4.444 . 6.000 5.157 5.107 5.204 . 0 0 "[ . 1]" 1 1713 1 41 GLN HA 1 45 GLU H 4.155 3.528 4.782 4.013 3.930 4.072 . 0 0 "[ . 1]" 1 1714 2 41 GLN HA 2 45 GLU H 4.155 3.528 4.782 4.010 3.931 4.077 . 0 0 "[ . 1]" 1 1715 1 45 GLU H 1 45 GLU HA 2.656 2.346 2.966 2.818 2.786 2.840 . 0 0 "[ . 1]" 1 1716 2 45 GLU H 2 45 GLU HA 2.656 2.346 2.966 2.818 2.788 2.842 . 0 0 "[ . 1]" 1 1717 1 44 GLU HA 1 45 GLU H 3.288 2.836 3.740 3.556 3.551 3.568 . 0 0 "[ . 1]" 1 1718 2 44 GLU HA 2 45 GLU H 3.288 2.836 3.740 3.556 3.549 3.567 . 0 0 "[ . 1]" 1 1719 1 43 ILE HA 1 45 GLU H 4.187 3.587 4.787 4.634 4.556 4.778 . 0 0 "[ . 1]" 1 1720 2 43 ILE HA 2 45 GLU H 4.187 3.587 4.787 4.636 4.563 4.780 . 0 0 "[ . 1]" 1 1721 1 44 GLU HB2 1 45 GLU H 2.466 2.144 2.788 2.519 2.467 2.574 . 0 0 "[ . 1]" 1 1722 2 44 GLU HB2 2 45 GLU H 2.466 2.144 2.788 2.518 2.464 2.577 . 0 0 "[ . 1]" 1 1723 1 42 ALA MB 1 45 GLU H 3.211 . 6.000 4.630 4.576 4.714 . 0 0 "[ . 1]" 1 1724 2 42 ALA MB 2 45 GLU H 3.211 . 6.000 4.631 4.575 4.717 . 0 0 "[ . 1]" 1 1725 1 44 GLU H 1 46 ALA H 3.833 3.263 4.403 3.862 3.795 3.935 . 0 0 "[ . 1]" 1 1726 2 44 GLU H 2 46 ALA H 3.833 3.263 4.403 3.861 3.795 3.921 . 0 0 "[ . 1]" 1 1727 1 41 GLN H 1 44 GLU H 5.790 4.531 7.049 4.756 4.700 4.797 . 0 0 "[ . 1]" 1 1728 2 41 GLN H 2 44 GLU H 5.790 4.531 7.049 4.755 4.693 4.799 . 0 0 "[ . 1]" 1 1729 1 41 GLN HA 1 44 GLU H 3.221 2.818 3.624 3.593 3.497 3.642 0.018 8 0 "[ . 1]" 1 1730 2 41 GLN HA 2 44 GLU H 3.221 2.818 3.624 3.593 3.495 3.649 0.025 8 0 "[ . 1]" 1 1731 1 40 THR HA 1 44 GLU H 3.881 3.299 4.463 4.013 3.980 4.047 . 0 0 "[ . 1]" 1 1732 2 40 THR HA 2 44 GLU H 3.881 3.299 4.463 4.014 3.990 4.047 . 0 0 "[ . 1]" 1 1733 1 44 GLU H 1 44 GLU HA 2.516 2.209 2.823 2.809 2.800 2.813 . 0 0 "[ . 1]" 1 1734 2 44 GLU H 2 44 GLU HA 2.516 2.209 2.823 2.809 2.801 2.813 . 0 0 "[ . 1]" 1 1735 1 43 ILE HA 1 44 GLU H 3.240 2.775 3.705 3.528 3.521 3.536 . 0 0 "[ . 1]" 1 1736 2 43 ILE HA 2 44 GLU H 3.240 2.775 3.705 3.528 3.519 3.534 . 0 0 "[ . 1]" 1 1737 1 44 GLU H 1 44 GLU HB2 2.422 2.117 2.727 2.490 2.461 2.510 . 0 0 "[ . 1]" 1 1738 2 44 GLU H 2 44 GLU HB2 2.422 2.117 2.727 2.490 2.459 2.509 . 0 0 "[ . 1]" 1 1739 1 44 GLU H 1 44 GLU HG3 2.019 . 2.256 2.208 2.155 2.260 0.004 10 0 "[ . 1]" 1 1740 2 44 GLU H 2 44 GLU HG3 2.019 . 2.256 2.208 2.146 2.265 0.009 8 0 "[ . 1]" 1 1741 1 43 ILE HB 1 44 GLU H 2.528 2.218 2.838 2.767 2.756 2.790 . 0 0 "[ . 1]" 1 1742 2 43 ILE HB 2 44 GLU H 2.528 2.218 2.838 2.766 2.754 2.791 . 0 0 "[ . 1]" 1 1743 1 40 THR MG 1 44 GLU H 2.703 . 6.000 3.910 3.872 3.938 . 0 0 "[ . 1]" 1 1744 2 40 THR MG 2 44 GLU H 2.703 . 6.000 3.908 3.880 3.932 . 0 0 "[ . 1]" 1 1745 1 43 ILE MG 1 44 GLU H 2.085 . 2.444 2.567 2.551 2.588 0.144 10 0 "[ . 1]" 1 1746 2 43 ILE MG 2 44 GLU H 2.085 . 2.444 2.567 2.554 2.587 0.143 10 0 "[ . 1]" 1 1747 1 49 GLU H 2 50 TYR QD 3.946 3.323 4.569 4.446 4.337 4.540 . 0 0 "[ . 1]" 1 1748 1 50 TYR QD 2 49 GLU H 3.946 3.323 4.569 4.446 4.346 4.531 . 0 0 "[ . 1]" 1 1749 1 48 LYS HA 1 49 GLU H 3.037 . 6.000 3.575 3.558 3.596 . 0 0 "[ . 1]" 1 1750 2 48 LYS HA 2 49 GLU H 3.037 . 6.000 3.573 3.554 3.594 . 0 0 "[ . 1]" 1 1751 1 47 ILE HA 1 49 GLU H 4.559 3.867 5.251 4.857 4.710 5.003 . 0 0 "[ . 1]" 1 1752 2 47 ILE HA 2 49 GLU H 4.559 3.867 5.251 4.854 4.708 4.994 . 0 0 "[ . 1]" 1 1753 1 49 GLU H 1 49 GLU QB 2.334 2.070 2.598 2.227 2.134 2.261 . 0 0 "[ . 1]" 1 1754 2 49 GLU H 2 49 GLU QB 2.334 2.070 2.598 2.226 2.130 2.260 . 0 0 "[ . 1]" 1 1755 1 48 LYS HB3 1 49 GLU H 2.150 . 2.437 2.242 2.135 2.353 . 0 0 "[ . 1]" 1 1756 2 48 LYS HB3 2 49 GLU H 2.150 . 2.437 2.243 2.134 2.358 . 0 0 "[ . 1]" 1 1757 1 48 LYS HB2 1 49 GLU H 4.166 . 6.000 3.711 3.637 3.802 . 0 0 "[ . 1]" 1 1758 2 48 LYS HB2 2 49 GLU H 4.166 . 6.000 3.710 3.635 3.805 . 0 0 "[ . 1]" 1 1759 1 48 LYS QG 1 49 GLU H 3.974 . 6.000 3.125 3.032 3.277 . 0 0 "[ . 1]" 1 1760 2 48 LYS QG 2 49 GLU H 3.974 . 6.000 3.126 3.035 3.277 . 0 0 "[ . 1]" 1 1761 1 52 GLN H 1 53 LYS H 2.582 2.256 2.908 2.474 2.434 2.544 . 0 0 "[ . 1]" 1 1762 2 52 GLN H 2 53 LYS H 2.582 2.256 2.908 2.473 2.430 2.549 . 0 0 "[ . 1]" 1 1763 1 31 TYR QE 1 32 CYS H 5.083 4.128 6.038 5.603 5.501 5.697 . 0 0 "[ . 1]" 1 1764 2 31 TYR QE 2 32 CYS H 5.083 4.128 6.038 5.605 5.498 5.694 . 0 0 "[ . 1]" 1 1765 1 28 LEU HA 1 32 CYS H 4.049 3.536 4.562 4.134 4.090 4.191 . 0 0 "[ . 1]" 1 1766 2 28 LEU HA 2 32 CYS H 4.049 3.536 4.562 4.133 4.088 4.196 . 0 0 "[ . 1]" 1 1767 1 51 LEU HA 1 53 LYS H 4.239 3.610 4.868 4.389 4.257 4.524 . 0 0 "[ . 1]" 1 1768 2 51 LEU HA 2 53 LYS H 4.239 3.610 4.868 4.390 4.259 4.509 . 0 0 "[ . 1]" 1 1769 1 32 CYS H 1 32 CYS HB3 3.729 3.374 4.084 3.603 3.596 3.611 . 0 0 "[ . 1]" 1 1770 2 32 CYS H 2 32 CYS HB3 3.729 3.374 4.084 3.603 3.595 3.609 . 0 0 "[ . 1]" 1 1771 1 52 GLN HG2 1 53 LYS H 4.805 4.298 5.312 5.305 5.231 5.367 0.055 6 0 "[ . 1]" 1 1772 2 52 GLN HG2 2 53 LYS H 4.805 4.298 5.312 5.306 5.224 5.365 0.053 6 0 "[ . 1]" 1 1773 1 30 VAL HB 1 32 CYS H 4.486 3.923 5.049 4.999 4.989 5.008 . 0 0 "[ . 1]" 1 1774 2 30 VAL HB 2 32 CYS H 4.486 3.923 5.049 4.997 4.982 5.005 . 0 0 "[ . 1]" 1 1775 1 28 LEU MD2 1 32 CYS H 2.633 . 6.000 3.704 3.644 3.763 . 0 0 "[ . 1]" 1 1776 2 28 LEU MD2 2 32 CYS H 2.633 . 6.000 3.705 3.646 3.757 . 0 0 "[ . 1]" 1 1777 1 50 TYR QE 1 51 LEU H 3.774 . 6.000 5.287 5.240 5.314 . 0 0 "[ . 1]" 1 1778 2 50 TYR QE 2 51 LEU H 3.774 . 6.000 5.288 5.243 5.330 . 0 0 "[ . 1]" 1 1779 1 37 LEU H 1 37 LEU HA 2.818 2.457 3.179 2.846 2.804 2.863 . 0 0 "[ . 1]" 1 1780 2 37 LEU H 2 37 LEU HA 2.818 2.457 3.179 2.848 2.805 2.866 . 0 0 "[ . 1]" 1 1781 1 36 ASN HA 1 37 LEU H 2.627 . 6.000 2.979 2.947 3.013 . 0 0 "[ . 1]" 1 1782 2 36 ASN HA 2 37 LEU H 2.627 . 6.000 2.976 2.954 3.017 . 0 0 "[ . 1]" 1 1783 1 50 TYR HA 1 51 LEU H 3.149 2.790 3.508 3.545 3.537 3.553 0.045 4 0 "[ . 1]" 1 1784 2 50 TYR HA 2 51 LEU H 3.149 2.790 3.508 3.545 3.536 3.553 0.045 4 0 "[ . 1]" 1 1785 1 31 TYR HA 1 35 ASN HD22 4.223 3.701 4.745 3.933 3.707 4.125 . 0 0 "[ . 1]" 1 1786 2 31 TYR HA 2 35 ASN HD22 4.223 3.701 4.745 3.934 3.699 4.111 0.002 2 0 "[ . 1]" 1 1787 1 36 ASN HB2 1 37 LEU H 3.624 3.114 4.134 4.032 4.006 4.059 . 0 0 "[ . 1]" 1 1788 2 36 ASN HB2 2 37 LEU H 3.624 3.114 4.134 4.032 4.000 4.063 . 0 0 "[ . 1]" 1 1789 1 35 ASN HB3 1 35 ASN HD22 4.156 3.763 4.549 4.057 4.051 4.065 . 0 0 "[ . 1]" 1 1790 2 35 ASN HB3 2 35 ASN HD22 4.156 3.763 4.549 4.057 4.050 4.063 . 0 0 "[ . 1]" 1 1791 1 35 ASN HD21 1 37 LEU HB2 3.788 3.309 4.267 4.222 4.167 4.302 0.035 10 0 "[ . 1]" 1 1792 2 35 ASN HD21 2 37 LEU HB2 3.788 3.309 4.267 4.224 4.156 4.315 0.048 10 0 "[ . 1]" 1 1793 1 37 LEU H 1 37 LEU HB2 2.066 . 2.329 2.062 2.041 2.083 . 0 0 "[ . 1]" 1 1794 2 37 LEU H 2 37 LEU HB2 2.066 . 2.329 2.064 2.040 2.085 . 0 0 "[ . 1]" 1 1795 1 35 ASN HD22 1 37 LEU MD2 3.983 3.192 4.774 4.741 4.545 4.798 0.024 5 0 "[ . 1]" 1 1796 2 35 ASN HD22 2 37 LEU MD2 3.983 3.192 4.774 4.742 4.542 4.801 0.027 2 0 "[ . 1]" 1 1797 1 51 LEU H 1 51 LEU MD2 2.118 . 2.525 2.510 2.441 2.559 0.034 1 0 "[ . 1]" 1 1798 2 51 LEU H 2 51 LEU MD2 2.118 . 2.525 2.510 2.440 2.558 0.033 1 0 "[ . 1]" 1 1799 1 51 LEU H 1 51 LEU MD1 2.329 . 6.000 3.050 2.929 3.153 . 0 0 "[ . 1]" 1 1800 2 51 LEU H 2 51 LEU MD1 2.329 . 6.000 3.050 2.930 3.160 . 0 0 "[ . 1]" 1 1801 1 34 LYS H 1 35 ASN HD21 4.128 3.595 4.661 4.085 4.004 4.161 . 0 0 "[ . 1]" 1 1802 2 34 LYS H 2 35 ASN HD21 4.128 3.595 4.661 4.086 4.019 4.165 . 0 0 "[ . 1]" 1 1803 1 34 LYS H 1 35 ASN HA 6.114 5.194 7.034 5.211 5.169 5.242 0.025 2 0 "[ . 1]" 1 1804 2 34 LYS H 2 35 ASN HA 6.114 5.194 7.034 5.212 5.167 5.249 0.027 2 0 "[ . 1]" 1 1805 1 30 VAL HA 1 34 LYS H 3.518 3.044 3.992 3.964 3.897 4.016 0.024 7 0 "[ . 1]" 1 1806 2 30 VAL HA 2 34 LYS H 3.518 3.044 3.992 3.962 3.894 4.012 0.020 7 0 "[ . 1]" 1 1807 1 34 LYS H 1 35 ASN HB2 5.115 4.442 5.788 4.823 4.762 4.870 . 0 0 "[ . 1]" 1 1808 2 34 LYS H 2 35 ASN HB2 5.115 4.442 5.788 4.824 4.766 4.877 . 0 0 "[ . 1]" 1 1809 1 30 VAL MG1 1 34 LYS H 2.692 . 6.000 3.860 3.821 3.934 . 0 0 "[ . 1]" 1 1810 2 30 VAL MG1 2 34 LYS H 2.692 . 6.000 3.857 3.812 3.939 . 0 0 "[ . 1]" 1 1811 1 35 ASN HD22 1 36 ASN H 6.003 5.380 6.626 5.979 5.938 6.022 . 0 0 "[ . 1]" 1 1812 2 35 ASN HD22 2 36 ASN H 6.003 5.380 6.626 5.979 5.938 6.027 . 0 0 "[ . 1]" 1 1813 1 36 ASN H 1 36 ASN QD 4.510 3.961 5.059 4.125 3.611 4.399 0.350 6 0 "[ . 1]" 1 1814 2 36 ASN H 2 36 ASN QD 4.510 3.961 5.059 4.129 3.608 4.412 0.353 6 0 "[ . 1]" 1 1815 1 35 ASN HD21 1 36 ASN H 5.158 4.528 5.788 4.616 4.566 4.681 . 0 0 "[ . 1]" 1 1816 2 35 ASN HD21 2 36 ASN H 5.158 4.528 5.788 4.615 4.568 4.692 . 0 0 "[ . 1]" 1 1817 1 32 CYS HA 1 36 ASN H 3.933 3.445 4.421 4.192 4.116 4.297 . 0 0 "[ . 1]" 1 1818 2 32 CYS HA 2 36 ASN H 3.933 3.445 4.421 4.188 4.104 4.299 . 0 0 "[ . 1]" 1 1819 1 36 ASN H 1 36 ASN HB2 3.188 2.795 3.581 3.394 3.319 3.481 . 0 0 "[ . 1]" 1 1820 2 36 ASN H 2 36 ASN HB2 3.188 2.795 3.581 3.396 3.323 3.475 . 0 0 "[ . 1]" 1 1821 1 35 ASN HB3 1 36 ASN H 3.973 3.541 4.405 4.260 4.213 4.306 . 0 0 "[ . 1]" 1 1822 2 35 ASN HB3 2 36 ASN H 3.973 3.541 4.405 4.257 4.218 4.297 . 0 0 "[ . 1]" 1 1823 1 53 LYS H 1 54 ARG H 2.225 . 2.462 2.447 2.370 2.491 0.029 7 0 "[ . 1]" 1 1824 2 53 LYS H 2 54 ARG H 2.225 . 2.462 2.445 2.369 2.488 0.026 7 0 "[ . 1]" 1 1825 1 54 ARG H 1 55 ASN HA 3.953 3.471 4.435 4.489 4.465 4.528 0.093 5 0 "[ . 1]" 1 1826 2 54 ARG H 2 55 ASN HA 3.953 3.471 4.435 4.490 4.475 4.527 0.092 5 0 "[ . 1]" 1 1827 1 51 LEU HA 1 54 ARG H 3.372 2.901 3.843 3.513 3.450 3.589 . 0 0 "[ . 1]" 1 1828 2 51 LEU HA 2 54 ARG H 3.372 2.901 3.843 3.513 3.447 3.587 . 0 0 "[ . 1]" 1 1829 1 54 ARG H 1 54 ARG HD2 4.396 3.899 4.893 4.589 4.504 4.722 . 0 0 "[ . 1]" 1 1830 2 54 ARG H 2 54 ARG HD2 4.396 3.899 4.893 4.589 4.506 4.723 . 0 0 "[ . 1]" 1 1831 1 54 ARG H 1 54 ARG HG3 4.075 3.665 4.485 4.504 4.492 4.529 0.044 5 0 "[ . 1]" 1 1832 2 54 ARG H 2 54 ARG HG3 4.075 3.665 4.485 4.504 4.493 4.531 0.046 5 0 "[ . 1]" 1 1833 1 25 LYS HA 1 26 THR H 2.721 . 6.000 3.465 3.448 3.479 . 0 0 "[ . 1]" 1 1834 2 25 LYS HA 2 26 THR H 2.721 . 6.000 3.465 3.449 3.481 . 0 0 "[ . 1]" 1 1835 1 23 ASP HB3 1 26 THR H 5.725 4.832 6.618 5.517 5.456 5.582 . 0 0 "[ . 1]" 1 1836 2 23 ASP HB3 2 26 THR H 5.725 4.832 6.618 5.519 5.455 5.583 . 0 0 "[ . 1]" 1 1837 1 25 LYS QB 1 26 THR H 2.749 2.405 3.093 2.656 2.526 2.742 . 0 0 "[ . 1]" 1 1838 2 25 LYS QB 2 26 THR H 2.749 2.405 3.093 2.656 2.517 2.745 . 0 0 "[ . 1]" 1 1839 1 25 LYS HG3 1 26 THR H 4.155 . 6.000 5.002 4.973 5.070 . 0 0 "[ . 1]" 1 1840 2 25 LYS HG3 2 26 THR H 4.155 . 6.000 5.002 4.971 5.072 . 0 0 "[ . 1]" 1 1841 1 50 TYR QD 1 55 ASN H 5.318 4.510 6.126 6.163 6.085 6.207 0.081 4 0 "[ . 1]" 1 1842 2 50 TYR QD 2 55 ASN H 5.318 4.510 6.126 6.162 6.082 6.208 0.082 4 0 "[ . 1]" 1 1843 1 55 ASN H 2 31 TYR QD 4.351 3.595 5.107 5.034 4.819 5.165 0.058 4 0 "[ . 1]" 1 1844 1 31 TYR QD 2 55 ASN H 4.351 3.595 5.107 5.034 4.808 5.176 0.069 9 0 "[ . 1]" 1 1845 1 43 ILE H 2 16 PHE QR 4.842 3.802 5.882 4.099 4.009 4.151 . 0 0 "[ . 1]" 1 1846 1 16 PHE QR 2 43 ILE H 4.842 3.802 5.882 4.101 4.005 4.147 . 0 0 "[ . 1]" 1 1847 1 41 GLN H 1 43 ILE H 4.017 3.434 4.600 4.325 4.284 4.363 . 0 0 "[ . 1]" 1 1848 2 41 GLN H 2 43 ILE H 4.017 3.434 4.600 4.326 4.271 4.362 . 0 0 "[ . 1]" 1 1849 1 39 LEU HA 1 43 ILE H 3.714 3.110 4.318 4.231 4.150 4.300 . 0 0 "[ . 1]" 1 1850 2 39 LEU HA 2 43 ILE H 3.714 3.110 4.318 4.233 4.157 4.301 . 0 0 "[ . 1]" 1 1851 1 42 ALA HA 1 43 ILE H 3.395 2.900 3.890 3.573 3.569 3.580 . 0 0 "[ . 1]" 1 1852 2 42 ALA HA 2 43 ILE H 3.395 2.900 3.890 3.573 3.568 3.579 . 0 0 "[ . 1]" 1 1853 1 43 ILE H 1 44 GLU HA 5.357 4.527 6.187 5.340 5.327 5.356 . 0 0 "[ . 1]" 1 1854 2 43 ILE H 2 44 GLU HA 5.357 4.527 6.187 5.339 5.323 5.354 . 0 0 "[ . 1]" 1 1855 1 51 LEU HA 1 55 ASN H 3.759 3.123 4.395 3.111 3.062 3.183 0.061 3 0 "[ . 1]" 1 1856 2 51 LEU HA 2 55 ASN H 3.759 3.123 4.395 3.111 3.063 3.177 0.060 3 0 "[ . 1]" 1 1857 1 43 ILE H 1 44 GLU HG2 6.943 5.920 7.966 5.901 5.884 5.920 0.036 4 0 "[ . 1]" 1 1858 2 43 ILE H 2 44 GLU HG2 6.943 5.920 7.966 5.899 5.881 5.911 0.039 4 0 "[ . 1]" 1 1859 1 54 ARG HB2 1 55 ASN H 4.140 . 6.000 3.149 3.048 3.227 . 0 0 "[ . 1]" 1 1860 2 54 ARG HB2 2 55 ASN H 4.140 . 6.000 3.148 3.044 3.221 . 0 0 "[ . 1]" 1 1861 1 43 ILE H 1 43 ILE HB 2.095 . 2.354 2.228 2.217 2.236 . 0 0 "[ . 1]" 1 1862 2 43 ILE H 2 43 ILE HB 2.095 . 2.354 2.227 2.209 2.239 . 0 0 "[ . 1]" 1 1863 1 54 ARG HG2 1 55 ASN H 4.646 4.108 5.184 4.099 4.026 4.343 0.082 2 0 "[ . 1]" 1 1864 2 54 ARG HG2 2 55 ASN H 4.646 4.108 5.184 4.096 4.015 4.345 0.093 2 0 "[ . 1]" 1 1865 1 54 ARG HG3 1 55 ASN H 4.475 3.935 5.015 4.004 3.937 4.090 . 0 0 "[ . 1]" 1 1866 2 54 ARG HG3 2 55 ASN H 4.475 3.935 5.015 4.001 3.938 4.094 . 0 0 "[ . 1]" 1 1867 1 54 ARG HB3 1 55 ASN H 2.838 . 6.000 1.893 1.803 2.053 . 0 0 "[ . 1]" 1 1868 2 54 ARG HB3 2 55 ASN H 2.838 . 6.000 1.890 1.804 2.053 . 0 0 "[ . 1]" 1 1869 1 38 GLN HA 1 38 GLN HE22 6.304 5.628 6.980 5.940 5.636 6.072 . 0 0 "[ . 1]" 1 1870 2 38 GLN HA 2 38 GLN HE22 6.304 5.628 6.980 5.944 5.640 6.068 . 0 0 "[ . 1]" 1 1871 1 38 GLN HA 1 38 GLN HE21 6.453 . 6.000 4.847 4.252 5.128 . 0 0 "[ . 1]" 1 1872 2 38 GLN HA 2 38 GLN HE21 6.453 . 6.000 4.850 4.258 5.126 . 0 0 "[ . 1]" 1 1873 1 31 TYR QE 1 35 ASN H 4.659 . 6.000 5.535 5.408 5.673 . 0 0 "[ . 1]" 1 1874 2 31 TYR QE 2 35 ASN H 4.659 . 6.000 5.534 5.403 5.666 . 0 0 "[ . 1]" 1 1875 1 35 ASN H 1 36 ASN HA 4.572 4.114 5.030 4.437 4.407 4.461 . 0 0 "[ . 1]" 1 1876 2 35 ASN H 2 36 ASN HA 4.572 4.114 5.030 4.437 4.418 4.461 . 0 0 "[ . 1]" 1 1877 1 33 ALA HA 1 35 ASN H 4.188 3.614 4.762 4.594 4.485 4.647 . 0 0 "[ . 1]" 1 1878 2 33 ALA HA 2 35 ASN H 4.188 3.614 4.762 4.593 4.485 4.649 . 0 0 "[ . 1]" 1 1879 1 32 CYS HA 1 35 ASN H 3.127 2.716 3.538 3.565 3.524 3.593 0.055 9 0 "[ . 1]" 1 1880 2 32 CYS HA 2 35 ASN H 3.127 2.716 3.538 3.563 3.526 3.595 0.057 9 0 "[ . 1]" 1 1881 1 35 ASN H 1 35 ASN HB2 2.395 2.089 2.701 2.423 2.409 2.435 . 0 0 "[ . 1]" 1 1882 2 35 ASN H 2 35 ASN HB2 2.395 2.089 2.701 2.423 2.411 2.432 . 0 0 "[ . 1]" 1 1883 1 35 ASN H 1 35 ASN HB3 3.328 3.034 3.622 3.638 3.630 3.649 0.027 9 0 "[ . 1]" 1 1884 2 35 ASN H 2 35 ASN HB3 3.328 3.034 3.622 3.638 3.633 3.645 0.023 5 0 "[ . 1]" 1 1885 1 34 LYS HG2 1 35 ASN H 4.453 3.941 4.965 3.785 3.643 3.956 0.298 6 0 "[ . 1]" 1 1886 2 34 LYS HG2 2 35 ASN H 4.453 3.941 4.965 3.786 3.641 3.953 0.300 6 0 "[ . 1]" 1 1887 1 37 LEU HA 1 41 GLN HE21 4.393 3.924 4.862 4.121 3.791 4.507 0.133 10 0 "[ . 1]" 1 1888 2 37 LEU HA 2 41 GLN HE21 4.393 3.924 4.862 4.116 3.797 4.491 0.127 10 0 "[ . 1]" 1 1889 1 38 GLN HA 1 41 GLN HE21 7.471 6.185 8.757 6.433 6.152 6.631 0.033 10 0 "[ . 1]" 1 1890 2 38 GLN HA 2 41 GLN HE21 7.471 6.185 8.757 6.429 6.155 6.618 0.030 10 0 "[ . 1]" 1 1891 1 36 ASN HA 1 36 ASN QD . 3.918 4.978 3.603 2.817 4.016 1.101 5 3 "[-* + 1]" 1 1892 2 36 ASN HA 2 36 ASN QD . 3.918 4.978 3.607 2.822 4.022 1.096 5 3 "[-* + 1]" 1 1893 1 41 GLN HA 1 41 GLN HE21 6.581 . 6.000 4.935 4.860 5.087 . 0 0 "[ . 1]" 1 1894 2 41 GLN HA 2 41 GLN HE21 6.581 . 6.000 4.934 4.856 5.084 . 0 0 "[ . 1]" 1 1895 1 41 GLN HA 1 41 GLN HE22 7.819 . 6.000 5.961 5.862 5.999 . 0 0 "[ . 1]" 1 1896 2 41 GLN HA 2 41 GLN HE22 7.819 . 6.000 5.963 5.864 5.996 . 0 0 "[ . 1]" 1 1897 1 41 GLN HE21 1 41 GLN QG 2.722 . 6.000 2.210 2.186 2.258 . 0 0 "[ . 1]" 1 1898 2 41 GLN HE21 2 41 GLN QG 2.722 . 6.000 2.213 2.197 2.253 . 0 0 "[ . 1]" 1 1899 1 41 GLN HB3 1 41 GLN HE22 3.938 3.453 4.423 3.819 3.695 3.864 . 0 0 "[ . 1]" 1 1900 2 41 GLN HB3 2 41 GLN HE22 3.938 3.453 4.423 3.821 3.698 3.869 . 0 0 "[ . 1]" 1 1901 1 41 GLN HB3 1 41 GLN HE21 3.627 . 6.000 2.888 2.834 2.990 . 0 0 "[ . 1]" 1 1902 2 41 GLN HB3 2 41 GLN HE21 3.627 . 6.000 2.885 2.831 2.992 . 0 0 "[ . 1]" 1 1903 1 37 LEU MD1 1 41 GLN HE21 3.193 2.667 3.719 3.179 2.904 3.541 . 0 0 "[ . 1]" 1 1904 2 37 LEU MD1 2 41 GLN HE21 3.193 2.667 3.719 3.178 2.899 3.549 . 0 0 "[ . 1]" 1 1905 1 55 ASN HA 1 55 ASN HD22 5.860 5.282 6.438 5.307 5.286 5.333 . 0 0 "[ . 1]" 1 1906 2 55 ASN HA 2 55 ASN HD22 5.860 5.282 6.438 5.307 5.284 5.330 . 0 0 "[ . 1]" 1 1907 1 54 ARG HA 1 55 ASN HD22 4.870 4.202 5.538 5.381 5.212 5.546 0.008 8 0 "[ . 1]" 1 1908 2 54 ARG HA 2 55 ASN HD22 4.870 4.202 5.538 5.386 5.241 5.557 0.019 8 0 "[ . 1]" 1 1909 1 55 ASN HA 1 56 GLY H 2.676 . 6.000 3.577 3.568 3.584 . 0 0 "[ . 1]" 1 1910 2 55 ASN HA 2 56 GLY H 2.676 . 6.000 3.578 3.567 3.590 . 0 0 "[ . 1]" 1 1911 1 51 LEU HA 1 56 GLY H 3.468 3.007 3.929 3.880 3.763 3.951 0.022 3 0 "[ . 1]" 1 1912 2 51 LEU HA 2 56 GLY H 3.468 3.007 3.929 3.882 3.780 3.954 0.025 3 0 "[ . 1]" 1 1913 1 54 ARG HB2 1 56 GLY H 5.045 4.574 5.516 4.867 4.656 5.100 . 0 0 "[ . 1]" 1 1914 2 54 ARG HB2 2 56 GLY H 5.045 4.574 5.516 4.869 4.658 5.099 . 0 0 "[ . 1]" 1 1915 1 54 ARG HG2 1 56 GLY H 4.828 4.156 5.500 4.553 4.267 5.094 . 0 0 "[ . 1]" 1 1916 2 54 ARG HG2 2 56 GLY H 4.828 4.156 5.500 4.552 4.265 5.105 . 0 0 "[ . 1]" 1 1917 1 54 ARG HB3 1 56 GLY H 3.340 2.955 3.725 3.174 2.975 3.399 . 0 0 "[ . 1]" 1 1918 2 54 ARG HB3 2 56 GLY H 3.340 2.955 3.725 3.176 2.981 3.416 . 0 0 "[ . 1]" 1 1919 1 51 LEU MD1 1 56 GLY H 2.315 . 6.000 2.988 2.860 3.070 . 0 0 "[ . 1]" 1 1920 2 51 LEU MD1 2 56 GLY H 2.315 . 6.000 2.990 2.860 3.068 . 0 0 "[ . 1]" 1 1921 1 16 PHE H 1 17 GLY H 4.490 3.884 5.096 4.075 4.008 4.180 . 0 0 "[ . 1]" 1 1922 2 16 PHE H 2 17 GLY H 4.490 3.884 5.096 4.075 4.006 4.177 . 0 0 "[ . 1]" 1 1923 1 16 PHE HA 1 17 GLY H 2.547 . 6.000 2.141 2.128 2.165 . 0 0 "[ . 1]" 1 1924 2 16 PHE HA 2 17 GLY H 2.547 . 6.000 2.142 2.131 2.163 . 0 0 "[ . 1]" 1 1925 1 14 ALA HA 1 17 GLY H 9.263 6.857 11.669 9.208 9.106 9.286 . 0 0 "[ . 1]" 1 1926 2 14 ALA HA 2 17 GLY H 9.263 6.857 11.669 9.207 9.101 9.289 . 0 0 "[ . 1]" 1 1927 1 17 GLY H 1 17 GLY HA2 2.925 2.626 3.224 2.955 2.949 2.960 . 0 0 "[ . 1]" 1 1928 2 17 GLY H 2 17 GLY HA2 2.925 2.626 3.224 2.956 2.945 2.960 . 0 0 "[ . 1]" 1 1929 1 16 PHE HB3 1 17 GLY H 3.473 . 6.000 4.025 3.910 4.100 . 0 0 "[ . 1]" 1 1930 2 16 PHE HB3 2 17 GLY H 3.473 . 6.000 4.029 3.909 4.109 . 0 0 "[ . 1]" 1 1931 1 52 GLN HE22 1 52 GLN HG3 4.299 3.796 4.802 4.014 3.806 4.044 . 0 0 "[ . 1]" 1 1932 2 52 GLN HE22 2 52 GLN HG3 4.299 3.796 4.802 4.013 3.802 4.043 . 0 0 "[ . 1]" 1 1933 1 52 GLN HB2 1 52 GLN HE22 4.350 3.783 4.917 3.874 3.784 4.459 . 0 0 "[ . 1]" 1 1934 2 52 GLN HB2 2 52 GLN HE22 4.350 3.783 4.917 3.873 3.777 4.469 0.006 5 0 "[ . 1]" 1 1935 1 40 THR H 1 44 GLU H 4.708 . 6.000 6.034 6.010 6.062 0.062 3 0 "[ . 1]" 1 1936 2 40 THR H 2 44 GLU H 4.708 . 6.000 6.035 6.017 6.073 0.073 3 0 "[ . 1]" 1 1937 1 38 GLN HA 1 40 THR H 4.016 3.520 4.512 4.263 4.227 4.315 . 0 0 "[ . 1]" 1 1938 2 38 GLN HA 2 40 THR H 4.016 3.520 4.512 4.265 4.231 4.311 . 0 0 "[ . 1]" 1 1939 1 38 GLN HG3 1 40 THR H 4.336 . 6.000 5.966 5.865 6.016 0.016 4 0 "[ . 1]" 1 1940 2 38 GLN HG3 2 40 THR H 4.336 . 6.000 5.966 5.856 6.009 0.009 4 0 "[ . 1]" 1 1941 1 38 GLN QB 1 40 THR H 3.144 2.724 3.564 3.008 2.925 3.067 . 0 0 "[ . 1]" 1 1942 2 38 GLN QB 2 40 THR H 3.144 2.724 3.564 3.008 2.912 3.065 . 0 0 "[ . 1]" 1 1943 1 39 LEU HB2 1 40 THR H 2.863 2.563 3.163 3.067 2.996 3.140 . 0 0 "[ . 1]" 1 1944 2 39 LEU HB2 2 40 THR H 2.863 2.563 3.163 3.068 3.002 3.135 . 0 0 "[ . 1]" 1 1945 1 39 LEU HB3 1 40 THR H 2.479 2.140 2.818 2.590 2.526 2.725 . 0 0 "[ . 1]" 1 1946 2 39 LEU HB3 2 40 THR H 2.479 2.140 2.818 2.589 2.529 2.726 . 0 0 "[ . 1]" 1 1947 1 40 THR H 2 18 ILE HB 5.006 4.419 5.593 4.615 4.530 4.727 . 0 0 "[ . 1]" 1 1948 1 18 ILE HB 2 40 THR H 5.006 4.419 5.593 4.618 4.528 4.705 . 0 0 "[ . 1]" 1 1949 1 50 TYR QD 1 54 ARG HE 3.817 . 6.000 5.820 5.593 6.061 0.061 2 0 "[ . 1]" 1 1950 2 50 TYR QD 2 54 ARG HE 3.817 . 6.000 5.820 5.585 6.064 0.064 2 0 "[ . 1]" 1 1951 1 50 TYR QE 1 54 ARG HE 3.890 3.336 4.444 4.206 3.860 4.528 0.084 4 0 "[ . 1]" 1 1952 2 50 TYR QE 2 54 ARG HE 3.890 3.336 4.444 4.206 3.856 4.536 0.092 2 0 "[ . 1]" 1 1953 1 54 ARG HA 1 54 ARG HE 5.502 . 6.000 4.618 4.463 4.758 . 0 0 "[ . 1]" 1 1954 2 54 ARG HA 2 54 ARG HE 5.502 . 6.000 4.616 4.466 4.760 . 0 0 "[ . 1]" 1 1955 1 54 ARG HD2 1 54 ARG HE 2.781 2.441 3.121 2.741 2.644 2.839 . 0 0 "[ . 1]" 1 1956 2 54 ARG HD2 2 54 ARG HE 2.781 2.441 3.121 2.741 2.645 2.840 . 0 0 "[ . 1]" 1 1957 1 54 ARG HD3 1 54 ARG HE 2.741 2.376 3.106 2.848 2.774 2.916 . 0 0 "[ . 1]" 1 1958 2 54 ARG HD3 2 54 ARG HE 2.741 2.376 3.106 2.848 2.773 2.911 . 0 0 "[ . 1]" 1 1959 1 54 ARG HE 1 54 ARG HG2 3.080 . 6.000 2.436 2.318 2.562 . 0 0 "[ . 1]" 1 1960 2 54 ARG HE 2 54 ARG HG2 3.080 . 6.000 2.436 2.319 2.561 . 0 0 "[ . 1]" 1 1961 1 54 ARG HE 1 54 ARG HG3 3.295 . 6.000 2.714 2.580 2.836 . 0 0 "[ . 1]" 1 1962 2 54 ARG HE 2 54 ARG HG3 3.295 . 6.000 2.713 2.580 2.832 . 0 0 "[ . 1]" 1 1963 1 54 ARG HB3 1 54 ARG HE 5.164 4.579 5.749 4.580 4.519 4.662 0.060 3 0 "[ . 1]" 1 1964 2 54 ARG HB3 2 54 ARG HE 5.164 4.579 5.749 4.579 4.529 4.661 0.050 3 0 "[ . 1]" 1 1965 1 31 TYR HB3 1 33 ALA H 4.933 4.253 5.613 4.815 4.705 4.960 . 0 0 "[ . 1]" 1 1966 2 31 TYR HB3 2 33 ALA H 4.933 4.253 5.613 4.817 4.715 4.960 . 0 0 "[ . 1]" 1 1967 1 11 LYS HA 1 13 LYS H 2.721 . 6.000 5.609 4.263 6.103 0.103 5 0 "[ . 1]" 1 1968 2 11 LYS HA 2 13 LYS H 2.721 . 6.000 5.615 4.267 6.114 0.114 5 0 "[ . 1]" 1 1969 1 13 LYS QG 1 14 ALA H 2.717 . 6.000 3.852 3.604 4.470 . 0 0 "[ . 1]" 1 1970 2 13 LYS QG 2 14 ALA H 2.717 . 6.000 3.852 3.597 4.473 . 0 0 "[ . 1]" 1 1971 1 13 LYS H 1 13 LYS QG 4.084 . 6.000 2.144 2.080 2.201 . 0 0 "[ . 1]" 1 1972 2 13 LYS H 2 13 LYS QG 4.084 . 6.000 2.144 2.078 2.204 . 0 0 "[ . 1]" 1 1973 1 17 GLY H 1 17 GLY HA3 2.791 2.445 3.137 2.535 2.512 2.565 . 0 0 "[ . 1]" 1 1974 2 17 GLY H 2 17 GLY HA3 2.791 2.445 3.137 2.534 2.513 2.559 . 0 0 "[ . 1]" 1 1975 1 21 ASP H 2 13 LYS HA 4.205 3.724 4.686 4.529 4.406 4.642 . 0 0 "[ . 1]" 1 1976 1 13 LYS HA 2 21 ASP H 4.205 3.724 4.686 4.531 4.415 4.649 . 0 0 "[ . 1]" 1 1977 1 20 MET HG3 1 21 ASP H 2.847 . 6.000 3.699 3.014 3.869 . 0 0 "[ . 1]" 1 1978 2 20 MET HG3 2 21 ASP H 2.847 . 6.000 3.699 3.013 3.868 . 0 0 "[ . 1]" 1 1979 1 21 ASP H 2 40 THR MG 3.650 . 6.000 4.556 4.344 4.739 . 0 0 "[ . 1]" 1 1980 1 40 THR MG 2 21 ASP H 3.650 . 6.000 4.556 4.358 4.722 . 0 0 "[ . 1]" 1 1981 1 20 MET ME 1 21 ASP H 3.268 . 6.000 4.141 4.008 4.661 . 0 0 "[ . 1]" 1 1982 2 20 MET ME 2 21 ASP H 3.268 . 6.000 4.140 4.000 4.652 . 0 0 "[ . 1]" 1 1983 1 22 LYS H 2 13 LYS HA 3.263 2.889 3.637 3.354 2.979 3.640 0.003 2 0 "[ . 1]" 1 1984 1 13 LYS HA 2 22 LYS H 3.263 2.889 3.637 3.354 3.002 3.640 0.003 2 0 "[ . 1]" 1 1985 1 22 LYS H 1 26 THR HB 4.057 . 6.000 6.142 6.089 6.205 0.205 10 0 "[ . 1]" 1 1986 2 22 LYS H 2 26 THR HB 4.057 . 6.000 6.141 6.088 6.207 0.207 10 0 "[ . 1]" 1 1987 1 18 ILE H 1 18 ILE HA 2.947 2.554 3.340 2.946 2.943 2.949 . 0 0 "[ . 1]" 1 1988 2 18 ILE H 2 18 ILE HA 2.947 2.554 3.340 2.946 2.945 2.949 . 0 0 "[ . 1]" 1 1989 1 18 ILE H 2 16 PHE HB2 3.287 . 6.000 4.397 4.269 4.490 . 0 0 "[ . 1]" 1 1990 1 16 PHE HB2 2 18 ILE H 3.287 . 6.000 4.395 4.273 4.496 . 0 0 "[ . 1]" 1 1991 1 23 ASP H 1 23 ASP HB3 2.252 . 6.000 2.512 2.304 2.608 . 0 0 "[ . 1]" 1 1992 2 23 ASP H 2 23 ASP HB3 2.252 . 6.000 2.513 2.311 2.615 . 0 0 "[ . 1]" 1 1993 1 22 LYS QG 1 24 LEU H 3.837 . 6.000 4.794 4.654 4.881 . 0 0 "[ . 1]" 1 1994 2 22 LYS QG 2 24 LEU H 3.837 . 6.000 4.791 4.648 4.884 . 0 0 "[ . 1]" 1 1995 1 25 LYS H 1 25 LYS HE2 4.870 . 6.000 6.056 6.009 6.106 0.106 6 0 "[ . 1]" 1 1996 2 25 LYS H 2 25 LYS HE2 4.870 . 6.000 6.054 6.007 6.104 0.104 6 0 "[ . 1]" 1 1997 1 23 ASP HA 1 26 THR H 2.898 . 6.000 3.757 3.691 3.841 . 0 0 "[ . 1]" 1 1998 2 23 ASP HA 2 26 THR H 2.898 . 6.000 3.759 3.694 3.839 . 0 0 "[ . 1]" 1 1999 1 23 ASP HA 1 27 ARG H 3.530 3.105 3.955 3.827 3.681 3.959 0.004 5 0 "[ . 1]" 1 2000 2 23 ASP HA 2 27 ARG H 3.530 3.105 3.955 3.830 3.692 3.968 0.013 5 0 "[ . 1]" 1 2001 1 31 TYR H 1 31 TYR HA 2.559 2.284 2.834 2.811 2.802 2.816 . 0 0 "[ . 1]" 1 2002 2 31 TYR H 2 31 TYR HA 2.559 2.284 2.834 2.810 2.803 2.817 . 0 0 "[ . 1]" 1 2003 1 28 LEU HA 1 31 TYR H 2.557 . 6.000 3.057 3.009 3.149 . 0 0 "[ . 1]" 1 2004 2 28 LEU HA 2 31 TYR H 2.557 . 6.000 3.057 3.008 3.147 . 0 0 "[ . 1]" 1 2005 1 24 LEU QD 1 27 ARG H 2.946 . 6.000 4.318 3.991 4.951 . 0 0 "[ . 1]" 1 2006 2 24 LEU QD 2 27 ARG H 2.946 . 6.000 4.317 3.984 4.961 . 0 0 "[ . 1]" 1 2007 1 29 LYS H 2 51 LEU MD2 3.978 3.303 4.653 4.604 4.555 4.636 . 0 0 "[ . 1]" 1 2008 1 51 LEU MD2 2 29 LYS H 3.978 3.303 4.653 4.601 4.562 4.629 . 0 0 "[ . 1]" 1 2009 1 29 LYS H 2 51 LEU MD1 5.864 4.246 7.482 5.447 5.354 5.530 . 0 0 "[ . 1]" 1 2010 1 51 LEU MD1 2 29 LYS H 5.864 4.246 7.482 5.445 5.362 5.513 . 0 0 "[ . 1]" 1 2011 1 28 LEU H 1 28 LEU HA 2.894 2.466 3.322 2.787 2.758 2.812 . 0 0 "[ . 1]" 1 2012 2 28 LEU H 2 28 LEU HA 2.894 2.466 3.322 2.787 2.757 2.813 . 0 0 "[ . 1]" 1 2013 1 27 ARG HG2 1 28 LEU H 3.809 3.378 4.240 4.007 3.948 4.081 . 0 0 "[ . 1]" 1 2014 2 27 ARG HG2 2 28 LEU H 3.809 3.378 4.240 4.008 3.950 4.089 . 0 0 "[ . 1]" 1 2015 1 27 ARG HG3 1 28 LEU H 2.763 2.399 3.127 2.860 2.813 2.906 . 0 0 "[ . 1]" 1 2016 2 27 ARG HG3 2 28 LEU H 2.763 2.399 3.127 2.862 2.820 2.909 . 0 0 "[ . 1]" 1 2017 1 30 VAL H 1 30 VAL MG1 2.624 . 6.000 3.746 3.738 3.752 . 0 0 "[ . 1]" 1 2018 2 30 VAL H 2 30 VAL MG1 2.624 . 6.000 3.746 3.738 3.758 . 0 0 "[ . 1]" 1 2019 1 30 VAL MG1 1 31 TYR H 2.152 . 6.000 3.545 3.528 3.600 . 0 0 "[ . 1]" 1 2020 2 30 VAL MG1 2 31 TYR H 2.152 . 6.000 3.544 3.527 3.599 . 0 0 "[ . 1]" 1 2021 1 32 CYS H 1 34 LYS H 3.979 3.522 4.436 4.021 3.980 4.067 . 0 0 "[ . 1]" 1 2022 2 32 CYS H 2 34 LYS H 3.979 3.522 4.436 4.021 3.980 4.068 . 0 0 "[ . 1]" 1 2023 1 31 TYR HB3 1 32 CYS H 2.292 2.011 2.573 2.621 2.605 2.631 0.058 1 0 "[ . 1]" 1 2024 2 31 TYR HB3 2 32 CYS H 2.292 2.011 2.573 2.621 2.606 2.635 0.062 10 0 "[ . 1]" 1 2025 1 28 LEU HB2 1 32 CYS H 4.860 . 6.000 6.093 6.071 6.107 0.107 5 0 "[ . 1]" 1 2026 2 28 LEU HB2 2 32 CYS H 4.860 . 6.000 6.093 6.070 6.107 0.107 5 0 "[ . 1]" 1 2027 1 33 ALA H 1 36 ASN H 3.964 3.449 4.479 4.539 4.481 4.615 0.136 8 0 "[ . 1]" 1 2028 2 33 ALA H 2 36 ASN H 3.964 3.449 4.479 4.538 4.469 4.614 0.135 8 0 "[ . 1]" 1 2029 1 31 TYR QD 1 34 LYS H 2.939 . 6.000 5.386 5.226 5.553 . 0 0 "[ . 1]" 1 2030 2 31 TYR QD 2 34 LYS H 2.939 . 6.000 5.386 5.227 5.550 . 0 0 "[ . 1]" 1 2031 1 32 CYS HA 1 34 LYS H 4.065 3.484 4.646 4.308 4.248 4.366 . 0 0 "[ . 1]" 1 2032 2 32 CYS HA 2 34 LYS H 4.065 3.484 4.646 4.309 4.245 4.370 . 0 0 "[ . 1]" 1 2033 1 35 ASN H 1 35 ASN HD22 5.329 . 6.000 3.823 3.733 3.903 . 0 0 "[ . 1]" 1 2034 2 35 ASN H 2 35 ASN HD22 5.329 . 6.000 3.825 3.719 3.901 . 0 0 "[ . 1]" 1 2035 1 34 LYS QB 1 35 ASN H 2.514 2.223 2.805 2.554 2.446 2.686 . 0 0 "[ . 1]" 1 2036 2 34 LYS QB 2 35 ASN H 2.514 2.223 2.805 2.554 2.449 2.679 . 0 0 "[ . 1]" 1 2037 1 33 ALA HA 1 36 ASN H 2.648 . 6.000 3.567 3.515 3.654 . 0 0 "[ . 1]" 1 2038 2 33 ALA HA 2 36 ASN H 2.648 . 6.000 3.566 3.517 3.651 . 0 0 "[ . 1]" 1 2039 1 52 GLN HA 1 55 ASN H 2.865 . 6.000 4.078 3.978 4.186 . 0 0 "[ . 1]" 1 2040 2 52 GLN HA 2 55 ASN H 2.865 . 6.000 4.079 3.984 4.196 . 0 0 "[ . 1]" 1 2041 1 51 LEU H 1 53 LYS H 3.231 . 6.000 4.116 4.016 4.200 . 0 0 "[ . 1]" 1 2042 2 51 LEU H 2 53 LYS H 3.231 . 6.000 4.117 4.014 4.188 . 0 0 "[ . 1]" 1 2043 1 48 LYS HA 1 51 LEU H 2.569 . 6.000 3.670 3.591 3.734 . 0 0 "[ . 1]" 1 2044 2 48 LYS HA 2 51 LEU H 2.569 . 6.000 3.668 3.591 3.725 . 0 0 "[ . 1]" 1 2045 1 32 CYS HA 1 37 LEU H 2.749 2.435 3.063 2.605 2.517 2.766 . 0 0 "[ . 1]" 1 2046 2 32 CYS HA 2 37 LEU H 2.749 2.435 3.063 2.605 2.515 2.769 . 0 0 "[ . 1]" 1 2047 1 50 TYR QB 1 51 LEU H 2.220 . 2.467 2.390 2.261 2.470 0.003 6 0 "[ . 1]" 1 2048 2 50 TYR QB 2 51 LEU H 2.220 . 2.467 2.388 2.260 2.469 0.002 8 0 "[ . 1]" 1 2049 1 32 CYS HA 1 38 GLN H 5.991 . 6.000 5.117 5.022 5.172 . 0 0 "[ . 1]" 1 2050 2 32 CYS HA 2 38 GLN H 5.991 . 6.000 5.118 5.019 5.176 . 0 0 "[ . 1]" 1 2051 1 38 GLN H 1 41 GLN HB2 3.070 . 6.000 3.574 3.406 3.712 . 0 0 "[ . 1]" 1 2052 2 38 GLN H 2 41 GLN HB2 3.070 . 6.000 3.575 3.414 3.715 . 0 0 "[ . 1]" 1 2053 1 38 GLN H 1 38 GLN HG3 2.147 . 6.000 2.482 2.394 2.594 . 0 0 "[ . 1]" 1 2054 2 38 GLN H 2 38 GLN HG3 2.147 . 6.000 2.485 2.402 2.592 . 0 0 "[ . 1]" 1 2055 1 37 LEU HB3 1 38 GLN H 2.321 2.024 2.618 2.658 2.633 2.703 0.085 7 0 "[ . 1]" 1 2056 2 37 LEU HB3 2 38 GLN H 2.321 2.024 2.618 2.659 2.645 2.694 0.076 7 0 "[ . 1]" 1 2057 1 39 LEU H 1 40 THR HB 5.881 4.986 6.776 5.311 5.257 5.379 . 0 0 "[ . 1]" 1 2058 2 39 LEU H 2 40 THR HB 5.881 4.986 6.776 5.316 5.263 5.408 . 0 0 "[ . 1]" 1 2059 1 28 LEU MD1 1 39 LEU H 2.966 . 6.000 5.069 4.976 5.177 . 0 0 "[ . 1]" 1 2060 2 28 LEU MD1 2 39 LEU H 2.966 . 6.000 5.069 4.974 5.179 . 0 0 "[ . 1]" 1 2061 1 41 GLN H 1 42 ALA HA 3.445 . 6.000 5.340 5.308 5.362 . 0 0 "[ . 1]" 1 2062 2 41 GLN H 2 42 ALA HA 3.445 . 6.000 5.340 5.323 5.358 . 0 0 "[ . 1]" 1 2063 1 39 LEU HA 1 41 GLN H 3.298 . 6.000 4.726 4.670 4.788 . 0 0 "[ . 1]" 1 2064 2 39 LEU HA 2 41 GLN H 3.298 . 6.000 4.728 4.682 4.786 . 0 0 "[ . 1]" 1 2065 1 40 THR HB 1 41 GLN H 2.139 . 2.382 2.383 2.354 2.399 0.017 8 0 "[ . 1]" 1 2066 2 40 THR HB 2 41 GLN H 2.139 . 2.382 2.383 2.365 2.401 0.019 7 0 "[ . 1]" 1 2067 1 41 GLN H 1 41 GLN QG 2.991 . 6.000 3.919 3.887 3.936 . 0 0 "[ . 1]" 1 2068 2 41 GLN H 2 41 GLN QG 2.991 . 6.000 3.919 3.892 3.937 . 0 0 "[ . 1]" 1 2069 1 41 GLN H 1 41 GLN HB3 2.274 . 6.000 2.661 2.591 2.708 . 0 0 "[ . 1]" 1 2070 2 41 GLN H 2 41 GLN HB3 2.274 . 6.000 2.660 2.590 2.702 . 0 0 "[ . 1]" 1 2071 1 41 GLN H 1 43 ILE HB 3.298 . 6.000 5.146 5.063 5.183 . 0 0 "[ . 1]" 1 2072 2 41 GLN H 2 43 ILE HB 3.298 . 6.000 5.146 5.058 5.181 . 0 0 "[ . 1]" 1 2073 1 40 THR MG 1 41 GLN H 2.575 . 6.000 3.544 3.512 3.602 . 0 0 "[ . 1]" 1 2074 2 40 THR MG 2 41 GLN H 2.575 . 6.000 3.543 3.512 3.604 . 0 0 "[ . 1]" 1 2075 1 41 GLN QG 1 42 ALA H 3.844 3.410 4.278 3.918 3.751 4.249 . 0 0 "[ . 1]" 1 2076 2 41 GLN QG 2 42 ALA H 3.844 3.410 4.278 3.918 3.756 4.249 . 0 0 "[ . 1]" 1 2077 1 41 GLN HB2 1 42 ALA H 3.559 3.190 3.928 3.779 3.719 3.808 . 0 0 "[ . 1]" 1 2078 2 41 GLN HB2 2 42 ALA H 3.559 3.190 3.928 3.780 3.726 3.807 . 0 0 "[ . 1]" 1 2079 1 42 ALA H 1 43 ILE HB 4.086 3.613 4.559 4.520 4.465 4.560 0.001 3 0 "[ . 1]" 1 2080 2 42 ALA H 2 43 ILE HB 4.086 3.613 4.559 4.519 4.462 4.559 0.000 3 0 "[ . 1]" 1 2081 1 40 THR MG 1 42 ALA H 2.774 . 6.000 5.008 4.971 5.039 . 0 0 "[ . 1]" 1 2082 2 40 THR MG 2 42 ALA H 2.774 . 6.000 5.008 4.970 5.039 . 0 0 "[ . 1]" 1 2083 1 37 LEU MD2 1 42 ALA H 2.477 . 6.000 3.899 3.610 4.146 . 0 0 "[ . 1]" 1 2084 2 37 LEU MD2 2 42 ALA H 2.477 . 6.000 3.897 3.609 4.134 . 0 0 "[ . 1]" 1 2085 1 43 ILE H 1 44 GLU H 2.927 2.499 3.355 2.747 2.729 2.770 . 0 0 "[ . 1]" 1 2086 2 43 ILE H 2 44 GLU H 2.927 2.499 3.355 2.746 2.725 2.763 . 0 0 "[ . 1]" 1 2087 1 41 GLN HA 1 43 ILE H 4.068 3.482 4.654 4.658 4.622 4.674 0.020 8 0 "[ . 1]" 1 2088 2 41 GLN HA 2 43 ILE H 4.068 3.482 4.654 4.658 4.639 4.672 0.018 3 0 "[ . 1]" 1 2089 1 40 THR MG 1 43 ILE H 2.384 . 6.000 4.669 4.646 4.708 . 0 0 "[ . 1]" 1 2090 2 40 THR MG 2 43 ILE H 2.384 . 6.000 4.668 4.647 4.698 . 0 0 "[ . 1]" 1 2091 1 28 LEU MD1 1 43 ILE H 1.828 . 6.000 3.188 3.100 3.279 . 0 0 "[ . 1]" 1 2092 2 28 LEU MD1 2 43 ILE H 1.828 . 6.000 3.189 3.102 3.286 . 0 0 "[ . 1]" 1 2093 1 42 ALA MB 1 44 GLU H 3.704 3.050 4.358 4.484 4.463 4.502 0.144 8 0 "[ . 1]" 1 2094 2 42 ALA MB 2 44 GLU H 3.704 3.050 4.358 4.484 4.465 4.501 0.143 2 0 "[ . 1]" 1 2095 1 44 GLU H 1 45 GLU H 3.088 2.617 3.559 2.753 2.733 2.794 . 0 0 "[ . 1]" 1 2096 2 44 GLU H 2 45 GLU H 3.088 2.617 3.559 2.755 2.732 2.800 . 0 0 "[ . 1]" 1 2097 1 48 LYS H 1 51 LEU MD2 2.954 . 6.000 4.592 4.447 4.658 . 0 0 "[ . 1]" 1 2098 2 48 LYS H 2 51 LEU MD2 2.954 . 6.000 4.593 4.448 4.658 . 0 0 "[ . 1]" 1 2099 1 47 ILE MG 1 49 GLU H 3.653 . 6.000 4.669 4.606 4.746 . 0 0 "[ . 1]" 1 2100 2 47 ILE MG 2 49 GLU H 3.653 . 6.000 4.667 4.602 4.744 . 0 0 "[ . 1]" 1 2101 1 49 GLU HA 1 50 TYR H 3.327 2.882 3.772 3.355 3.315 3.402 . 0 0 "[ . 1]" 1 2102 2 49 GLU HA 2 50 TYR H 3.327 2.882 3.772 3.355 3.315 3.402 . 0 0 "[ . 1]" 1 2103 1 48 LYS HA 1 50 TYR H 3.316 2.786 3.846 3.879 3.828 3.913 0.067 8 0 "[ . 1]" 1 2104 2 48 LYS HA 2 50 TYR H 3.316 2.786 3.846 3.879 3.826 3.911 0.065 7 0 "[ . 1]" 1 2105 1 50 TYR H 1 51 LEU MD1 4.360 3.527 5.193 5.107 4.993 5.227 0.034 9 0 "[ . 1]" 1 2106 2 50 TYR H 2 51 LEU MD1 4.360 3.527 5.193 5.108 4.997 5.227 0.034 9 0 "[ . 1]" 1 2107 1 50 TYR QD 1 52 GLN H 4.816 4.063 5.569 5.467 5.425 5.513 . 0 0 "[ . 1]" 1 2108 2 50 TYR QD 2 52 GLN H 4.816 4.063 5.569 5.466 5.418 5.514 . 0 0 "[ . 1]" 1 2109 1 50 TYR H 1 52 GLN H 3.323 2.892 3.754 3.800 3.765 3.846 0.092 5 0 "[ . 1]" 1 2110 2 50 TYR H 2 52 GLN H 3.323 2.892 3.754 3.798 3.767 3.848 0.094 5 0 "[ . 1]" 1 2111 1 48 LYS HA 1 52 GLN H 3.568 . 6.000 4.652 4.527 4.783 . 0 0 "[ . 1]" 1 2112 2 48 LYS HA 2 52 GLN H 3.568 . 6.000 4.650 4.522 4.780 . 0 0 "[ . 1]" 1 2113 1 50 TYR QB 1 52 GLN H 3.655 . 6.000 4.572 4.468 4.668 . 0 0 "[ . 1]" 1 2114 2 50 TYR QB 2 52 GLN H 3.655 . 6.000 4.569 4.460 4.663 . 0 0 "[ . 1]" 1 2115 1 51 LEU HB2 1 52 GLN H 2.372 . 6.000 2.929 2.862 3.017 . 0 0 "[ . 1]" 1 2116 2 51 LEU HB2 2 52 GLN H 2.372 . 6.000 2.930 2.863 3.020 . 0 0 "[ . 1]" 1 2117 1 49 GLU HA 1 53 LYS H 2.674 . 6.000 3.868 3.750 3.970 . 0 0 "[ . 1]" 1 2118 2 49 GLU HA 2 53 LYS H 2.674 . 6.000 3.870 3.756 3.972 . 0 0 "[ . 1]" 1 2119 1 53 LYS H 1 53 LYS HG3 3.672 . 6.000 4.445 4.404 4.473 . 0 0 "[ . 1]" 1 2120 2 53 LYS H 2 53 LYS HG3 3.672 . 6.000 4.444 4.405 4.469 . 0 0 "[ . 1]" 1 2121 1 53 LYS H 1 53 LYS HB3 2.135 . 6.000 2.558 2.476 2.640 . 0 0 "[ . 1]" 1 2122 2 53 LYS H 2 53 LYS HB3 2.135 . 6.000 2.558 2.479 2.637 . 0 0 "[ . 1]" 1 2123 1 53 LYS HB3 1 54 ARG H 2.662 . 6.000 3.164 3.062 3.232 . 0 0 "[ . 1]" 1 2124 2 53 LYS HB3 2 54 ARG H 2.662 . 6.000 3.163 3.062 3.222 . 0 0 "[ . 1]" 1 2125 1 51 LEU MD1 1 54 ARG H 3.165 . 6.000 4.557 4.508 4.639 . 0 0 "[ . 1]" 1 2126 2 51 LEU MD1 2 54 ARG H 3.165 . 6.000 4.558 4.507 4.641 . 0 0 "[ . 1]" 1 2127 1 55 ASN H 1 56 GLY HA2 3.161 . 6.000 4.166 4.010 4.394 . 0 0 "[ . 1]" 1 2128 2 55 ASN H 2 56 GLY HA2 3.161 . 6.000 4.167 4.015 4.395 . 0 0 "[ . 1]" 1 2129 1 55 ASN HD22 1 56 GLY H 3.537 . 6.000 4.158 4.090 4.234 . 0 0 "[ . 1]" 1 2130 2 55 ASN HD22 2 56 GLY H 3.537 . 6.000 4.156 4.078 4.225 . 0 0 "[ . 1]" 1 2131 1 41 GLN HB2 1 41 GLN HE22 4.304 3.834 4.774 4.448 4.356 4.637 . 0 0 "[ . 1]" 1 2132 2 41 GLN HB2 2 41 GLN HE22 4.304 3.834 4.774 4.450 4.371 4.634 . 0 0 "[ . 1]" 1 2133 1 35 ASN H 1 35 ASN HD21 2.353 2.064 2.642 2.388 2.309 2.448 . 0 0 "[ . 1]" 1 2134 2 35 ASN H 2 35 ASN HD21 2.353 2.064 2.642 2.389 2.301 2.461 . 0 0 "[ . 1]" 1 2135 1 31 TYR QE 1 35 ASN HD21 2.751 . 6.000 3.586 3.427 3.734 . 0 0 "[ . 1]" 1 2136 2 31 TYR QE 2 35 ASN HD21 2.751 . 6.000 3.585 3.427 3.740 . 0 0 "[ . 1]" 1 2137 1 14 ALA H 2 20 MET HA 4.038 3.402 4.674 4.508 4.458 4.621 . 0 0 "[ . 1]" 1 2138 1 20 MET HA 2 14 ALA H 4.038 3.402 4.674 4.501 4.458 4.589 . 0 0 "[ . 1]" 1 2139 1 14 ALA H 2 21 ASP HA 4.181 . 6.000 3.324 3.216 3.502 . 0 0 "[ . 1]" 1 2140 1 21 ASP HA 2 14 ALA H 4.181 . 6.000 3.322 3.210 3.482 . 0 0 "[ . 1]" 1 2141 1 56 GLY H 1 56 GLY HA2 2.277 2.053 2.501 2.351 2.296 2.425 . 0 0 "[ . 1]" 1 2142 2 56 GLY H 2 56 GLY HA2 2.277 2.053 2.501 2.351 2.297 2.427 . 0 0 "[ . 1]" 1 2143 1 40 THR HB 2 18 ILE MD 5.310 . 6.000 3.676 3.652 3.708 . 0 0 "[ . 1]" 1 2144 1 18 ILE MD 2 40 THR HB 5.310 . 6.000 3.677 3.655 3.710 . 0 0 "[ . 1]" 1 2145 1 26 THR HA 1 29 LYS QD 3.482 3.084 3.880 3.332 3.221 3.393 . 0 0 "[ . 1]" 1 2146 2 26 THR HA 2 29 LYS QD 3.482 3.084 3.880 3.332 3.217 3.395 . 0 0 "[ . 1]" 1 2147 1 26 THR HA 1 29 LYS QG 3.464 3.053 3.875 3.048 3.024 3.075 0.029 8 0 "[ . 1]" 1 2148 1 18 ILE HB 2 40 THR HA 3.464 3.053 3.875 3.049 3.024 3.081 0.029 8 0 "[ . 1]" 1 2149 1 43 ILE HA 1 43 ILE HG13 1.956 . 2.236 2.038 2.008 2.076 . 0 0 "[ . 1]" 1 2150 2 43 ILE HA 2 43 ILE HG13 1.956 . 2.236 2.037 2.003 2.075 . 0 0 "[ . 1]" 1 2151 1 47 ILE HA 1 47 ILE MD 2.647 . 6.000 3.381 3.341 3.429 . 0 0 "[ . 1]" 1 2152 2 47 ILE HA 2 47 ILE MD 2.647 . 6.000 3.381 3.341 3.430 . 0 0 "[ . 1]" 1 2153 1 44 GLU HB3 1 48 LYS HA 5.715 4.843 6.587 4.970 4.932 4.990 . 0 0 "[ . 1]" 1 2154 2 44 GLU HB3 2 48 LYS HA 5.715 4.843 6.587 4.970 4.930 4.991 . 0 0 "[ . 1]" 1 2155 1 48 LYS HA 1 48 LYS HB2 2.488 2.188 2.788 2.315 2.073 2.383 0.115 3 0 "[ . 1]" 1 2156 2 48 LYS HA 2 48 LYS HB2 2.488 2.188 2.788 2.314 2.066 2.381 0.122 3 0 "[ . 1]" 1 2157 1 24 LEU QD 1 25 LYS HA 1.807 . 2.103 2.138 2.109 2.158 0.055 10 0 "[ . 1]" 1 2158 1 24 LEU QD 2 44 GLU HA 1.807 . 2.103 2.138 2.121 2.165 0.062 7 0 "[ . 1]" 1 2159 1 44 GLU HA 1 51 LEU MD2 2.434 . 6.000 4.757 4.711 4.837 . 0 0 "[ . 1]" 1 2160 1 18 ILE MD 2 44 GLU HA 2.434 . 6.000 4.759 4.713 4.840 . 0 0 "[ . 1]" 1 2161 1 25 LYS HA 1 29 LYS HA 3.883 . 6.000 5.680 5.642 5.724 . 0 0 "[ . 1]" 1 2162 2 25 LYS HA 2 29 LYS HA 3.883 . 6.000 5.678 5.643 5.724 . 0 0 "[ . 1]" 1 2163 1 29 LYS HA 1 29 LYS QE 3.908 3.552 4.264 3.904 3.827 3.950 . 0 0 "[ . 1]" 1 2164 2 29 LYS HA 2 29 LYS QE 3.908 3.552 4.264 3.904 3.826 3.949 . 0 0 "[ . 1]" 1 2165 1 45 GLU HA 1 49 GLU H 2.608 2.331 2.885 2.731 2.680 2.770 . 0 0 "[ . 1]" 1 2166 2 45 GLU HA 2 49 GLU H 2.608 2.331 2.885 2.732 2.683 2.769 . 0 0 "[ . 1]" 1 2167 1 27 ARG H 1 27 ARG HA 2.681 2.371 2.991 2.656 2.645 2.665 . 0 0 "[ . 1]" 1 2168 2 27 ARG H 2 27 ARG HA 2.681 2.371 2.991 2.656 2.646 2.665 . 0 0 "[ . 1]" 1 2169 1 22 LYS HA 1 22 LYS QD 3.794 3.435 4.153 3.918 3.836 4.050 . 0 0 "[ . 1]" 1 2170 2 22 LYS HA 2 22 LYS QD 3.794 3.435 4.153 3.917 3.839 4.051 . 0 0 "[ . 1]" 1 2171 1 22 LYS HA 1 22 LYS QG 2.494 2.182 2.806 2.303 2.203 2.393 . 0 0 "[ . 1]" 1 2172 1 14 ALA MB 2 22 LYS HA 2.494 2.182 2.806 2.304 2.207 2.392 . 0 0 "[ . 1]" 1 2173 1 41 GLN HA 1 41 GLN HB3 2.445 2.186 2.704 2.545 2.458 2.594 . 0 0 "[ . 1]" 1 2174 2 41 GLN HA 2 41 GLN HB3 2.445 2.186 2.704 2.544 2.454 2.596 . 0 0 "[ . 1]" 1 2175 1 34 LYS HA 1 34 LYS HG3 2.176 . 2.371 2.467 2.387 2.527 0.156 6 0 "[ . 1]" 1 2176 2 34 LYS HA 2 34 LYS HG3 2.176 . 2.371 2.467 2.382 2.526 0.155 6 0 "[ . 1]" 1 2177 1 24 LEU H 1 24 LEU HA 2.877 2.522 3.232 2.698 2.676 2.716 . 0 0 "[ . 1]" 1 2178 2 24 LEU H 2 24 LEU HA 2.877 2.522 3.232 2.698 2.675 2.718 . 0 0 "[ . 1]" 1 2179 1 51 LEU HA 1 51 LEU HB2 2.667 2.354 2.980 2.780 2.770 2.789 . 0 0 "[ . 1]" 1 2180 2 51 LEU HA 2 51 LEU HB2 2.667 2.354 2.980 2.780 2.770 2.789 . 0 0 "[ . 1]" 1 2181 1 51 LEU HA 1 51 LEU MD2 2.526 2.174 2.878 2.785 2.725 2.863 . 0 0 "[ . 1]" 1 2182 2 51 LEU HA 2 51 LEU MD2 2.526 2.174 2.878 2.785 2.727 2.862 . 0 0 "[ . 1]" 1 2183 1 19 TYR HA 2 15 VAL QG 2.927 2.388 3.466 3.095 3.020 3.159 . 0 0 "[ . 1]" 1 2184 1 15 VAL QG 2 19 TYR HA 2.927 2.388 3.466 3.096 3.020 3.164 . 0 0 "[ . 1]" 1 2185 1 21 ASP HA 1 22 LYS QB 3.890 3.544 4.236 3.694 3.665 3.721 . 0 0 "[ . 1]" 1 2186 2 21 ASP HA 2 22 LYS QB 3.890 3.544 4.236 3.695 3.666 3.720 . 0 0 "[ . 1]" 1 2187 1 21 ASP HA 1 24 LEU HB3 5.374 . 6.000 3.601 3.384 3.837 . 0 0 "[ . 1]" 1 2188 1 13 LYS QB 2 21 ASP HA 5.374 . 6.000 3.601 3.393 3.837 . 0 0 "[ . 1]" 1 2189 1 13 LYS HA 1 13 LYS QD 3.093 . 6.000 3.578 3.401 3.637 . 0 0 "[ . 1]" 1 2190 2 13 LYS HA 2 13 LYS QD 3.093 . 6.000 3.576 3.396 3.635 . 0 0 "[ . 1]" 1 2191 1 21 ASP HA 1 22 LYS QG 4.621 4.128 5.114 4.960 4.859 5.060 . 0 0 "[ . 1]" 1 2192 1 13 LYS QD 2 21 ASP HA 4.621 4.128 5.114 4.962 4.868 5.063 . 0 0 "[ . 1]" 1 2193 1 42 ALA HA 1 43 ILE H 3.065 2.674 3.456 3.133 3.107 3.171 . 0 0 "[ . 1]" 1 2194 2 42 ALA HA 2 43 ILE H 3.065 2.674 3.456 3.133 3.106 3.174 . 0 0 "[ . 1]" 1 2195 1 38 GLN HA 1 41 GLN H 4.657 . 6.000 3.736 3.717 3.749 . 0 0 "[ . 1]" 1 2196 2 38 GLN HA 2 41 GLN H 4.657 . 6.000 3.738 3.723 3.749 . 0 0 "[ . 1]" 1 2197 1 17 GLY H 1 17 GLY HA3 2.245 2.028 2.462 2.165 2.130 2.206 . 0 0 "[ . 1]" 1 2198 2 17 GLY H 2 17 GLY HA3 2.245 2.028 2.462 2.165 2.131 2.207 . 0 0 "[ . 1]" 1 2199 1 15 VAL MG1 1 17 GLY HA3 3.187 2.779 3.595 3.434 3.369 3.495 . 0 0 "[ . 1]" 1 2200 1 15 VAL MG1 2 17 GLY HA3 3.187 2.779 3.595 3.433 3.366 3.495 . 0 0 "[ . 1]" 1 2201 1 17 GLY HA2 1 18 ILE MG 2.406 . 6.000 3.405 3.367 3.425 . 0 0 "[ . 1]" 1 2202 1 15 VAL MG1 2 17 GLY HA2 2.406 . 6.000 3.405 3.374 3.425 . 0 0 "[ . 1]" 1 2203 1 51 LEU H 1 51 LEU HB2 2.251 . 2.525 2.151 2.135 2.173 . 0 0 "[ . 1]" 1 2204 2 51 LEU H 2 51 LEU HB2 2.251 . 2.525 2.150 2.132 2.174 . 0 0 "[ . 1]" 1 2205 1 28 LEU HB2 1 28 LEU HG 2.190 . 2.513 2.138 2.116 2.165 . 0 0 "[ . 1]" 1 2206 1 47 ILE HG12 2 28 LEU HB2 2.190 . 2.513 2.137 2.109 2.161 . 0 0 "[ . 1]" 1 2207 1 25 LYS HD3 1 25 LYS HE3 2.421 2.072 2.770 2.366 2.336 2.401 . 0 0 "[ . 1]" 1 2208 1 14 ALA MB 2 25 LYS HE3 2.421 2.072 2.770 2.368 2.339 2.402 . 0 0 "[ . 1]" 1 2209 1 24 LEU HB2 1 24 LEU QD 1.841 . 2.107 2.048 1.894 2.125 0.018 10 0 "[ . 1]" 1 2210 2 24 LEU HB2 2 24 LEU QD 1.841 . 2.107 2.048 1.890 2.125 0.018 10 0 "[ . 1]" 1 2211 1 20 MET HB2 1 20 MET ME 2.265 . 2.654 2.173 2.070 2.686 0.032 8 0 "[ . 1]" 1 2212 2 20 MET HB2 2 20 MET ME 2.265 . 2.654 2.172 2.071 2.682 0.028 8 0 "[ . 1]" 1 2213 1 43 ILE HB 1 43 ILE MG 1.351 . 6.000 2.016 2.008 2.035 . 0 0 "[ . 1]" 1 2214 1 18 ILE MD 2 43 ILE HB 1.351 . 6.000 2.017 2.005 2.034 . 0 0 "[ . 1]" 1 2215 1 41 GLN QG 1 42 ALA HA 3.581 3.257 3.905 3.354 3.286 3.501 . 0 0 "[ . 1]" 1 2216 2 41 GLN QG 2 42 ALA HA 3.581 3.257 3.905 3.354 3.284 3.503 . 0 0 "[ . 1]" 1 2217 1 41 GLN HB3 1 41 GLN QG 2.470 2.199 2.741 2.166 2.143 2.214 0.056 7 0 "[ . 1]" 1 2218 2 41 GLN HB3 2 41 GLN QG 2.470 2.199 2.741 2.166 2.144 2.215 0.055 2 0 "[ . 1]" 1 2219 1 31 TYR HA 1 34 LYS QB 2.220 2.018 2.422 2.213 2.173 2.265 . 0 0 "[ . 1]" 1 2220 2 31 TYR HA 2 34 LYS QB 2.220 2.018 2.422 2.213 2.174 2.264 . 0 0 "[ . 1]" 1 2221 1 22 LYS QB 1 25 LYS HE3 3.378 . 6.000 5.445 4.803 5.768 . 0 0 "[ . 1]" 1 2222 2 22 LYS QB 2 25 LYS HE3 3.378 . 6.000 5.445 4.810 5.769 . 0 0 "[ . 1]" 1 2223 1 29 LYS QB 1 39 LEU QD 2.118 . 2.440 2.468 2.440 2.500 0.060 10 0 "[ . 1]" 1 2224 2 29 LYS QB 2 39 LEU QD 2.118 . 2.440 2.470 2.441 2.499 0.059 10 0 "[ . 1]" 1 2225 1 20 MET HB2 1 20 MET HG3 2.565 . 6.000 1.978 1.863 2.290 . 0 0 "[ . 1]" 1 2226 2 20 MET HB2 2 20 MET HG3 2.565 . 6.000 1.978 1.861 2.291 . 0 0 "[ . 1]" 1 2227 1 18 ILE MD 1 20 MET HG2 4.288 3.237 5.339 3.832 3.708 3.899 . 0 0 "[ . 1]" 1 2228 1 15 VAL MG2 2 20 MET HG2 4.288 3.237 5.339 3.832 3.708 3.901 . 0 0 "[ . 1]" 1 2229 1 18 ILE MD 1 20 MET HG3 3.677 . 6.000 4.600 4.453 4.818 . 0 0 "[ . 1]" 1 2230 1 15 VAL MG2 2 20 MET HG3 3.677 . 6.000 4.600 4.451 4.812 . 0 0 "[ . 1]" 1 2231 1 20 MET HG2 1 25 LYS HD3 2.541 2.226 2.856 2.539 2.484 2.586 . 0 0 "[ . 1]" 1 2232 2 20 MET HG2 2 25 LYS HD3 2.541 2.226 2.856 2.541 2.490 2.586 . 0 0 "[ . 1]" 1 2233 1 25 LYS HD3 2 16 PHE QR 4.132 3.584 4.680 3.779 3.739 3.816 . 0 0 "[ . 1]" 1 2234 1 16 PHE QR 2 25 LYS HD3 4.132 3.584 4.680 3.782 3.743 3.811 . 0 0 "[ . 1]" 1 2235 1 45 GLU QB 2 50 TYR QE 2.399 2.099 2.699 2.464 2.277 2.641 . 0 0 "[ . 1]" 1 2236 1 50 TYR QE 2 45 GLU QB 2.399 2.099 2.699 2.462 2.276 2.647 . 0 0 "[ . 1]" 1 2237 1 45 GLU HA 1 45 GLU QB 2.479 2.220 2.738 2.169 2.133 2.185 0.087 9 0 "[ . 1]" 1 2238 2 45 GLU HA 2 45 GLU QB 2.479 2.220 2.738 2.169 2.131 2.185 0.089 9 0 "[ . 1]" 1 2239 1 49 GLU QB 1 50 TYR QB 3.133 2.817 3.449 3.577 3.508 3.669 0.220 8 0 "[ . 1]" 1 2240 1 50 TYR QB 2 49 GLU QB 3.133 2.817 3.449 3.576 3.511 3.665 0.216 8 0 "[ . 1]" 1 2241 1 42 ALA MB 1 45 GLU QB 3.609 3.184 4.034 3.865 3.746 4.030 . 0 0 "[ . 1]" 1 2242 1 53 LYS HG3 2 49 GLU QB 3.609 3.184 4.034 3.865 3.749 4.031 . 0 0 "[ . 1]" 1 2243 1 47 ILE H 1 47 ILE HG13 3.903 3.449 4.357 4.201 4.175 4.237 . 0 0 "[ . 1]" 1 2244 1 28 LEU H 2 47 ILE HG13 3.903 3.449 4.357 4.200 4.173 4.236 . 0 0 "[ . 1]" 1 2245 1 47 ILE H 1 47 ILE HG12 3.043 . 6.000 3.929 3.859 4.047 . 0 0 "[ . 1]" 1 2246 1 28 LEU H 2 47 ILE HG12 3.043 . 6.000 3.930 3.862 4.044 . 0 0 "[ . 1]" 1 2247 1 49 GLU HA 1 52 GLN HB2 2.366 2.120 2.612 2.409 2.294 2.553 . 0 0 "[ . 1]" 1 2248 2 49 GLU HA 2 52 GLN HB2 2.366 2.120 2.612 2.409 2.296 2.555 . 0 0 "[ . 1]" 1 2249 1 48 LYS H 1 48 LYS QG 4.263 . 6.000 3.015 2.943 3.133 . 0 0 "[ . 1]" 1 2250 2 48 LYS H 2 48 LYS QG 4.263 . 6.000 3.015 2.945 3.133 . 0 0 "[ . 1]" 1 2251 1 28 LEU MD1 2 16 PHE HE1 3.195 2.626 3.764 4.018 3.962 4.080 0.316 5 0 "[ . 1]" 1 2252 1 16 PHE HE1 2 28 LEU MD1 3.195 2.626 3.764 4.019 3.955 4.085 0.321 6 0 "[ . 1]" 1 2253 1 51 LEU MD2 2 24 LEU HA 4.024 3.231 4.817 3.862 3.802 3.977 . 0 0 "[ . 1]" 1 2254 1 24 LEU HA 2 51 LEU MD2 4.024 3.231 4.817 3.863 3.804 3.985 . 0 0 "[ . 1]" 1 2255 1 51 LEU MD2 2 27 ARG QD 3.552 2.984 4.120 3.392 3.230 3.519 . 0 0 "[ . 1]" 1 2256 1 27 ARG QD 2 51 LEU MD2 3.552 2.984 4.120 3.392 3.225 3.516 . 0 0 "[ . 1]" 1 2257 1 28 LEU MD1 1 43 ILE HB 2.575 . 6.000 4.374 4.295 4.446 . 0 0 "[ . 1]" 1 2258 1 51 LEU HG 2 28 LEU MD1 2.575 . 6.000 4.373 4.292 4.446 . 0 0 "[ . 1]" 1 2259 1 28 LEU HB3 1 28 LEU MD1 1.158 . 6.000 1.537 1.509 1.580 . 0 0 "[ . 1]" 1 2260 2 28 LEU HB3 2 28 LEU MD1 1.158 . 6.000 1.537 1.509 1.581 . 0 0 "[ . 1]" 1 2261 1 18 ILE MD 1 18 ILE HG12 1.621 . 1.882 1.959 1.956 1.965 0.083 4 0 "[ . 1]" 1 2262 2 18 ILE MD 2 18 ILE HG12 1.621 . 1.882 1.959 1.955 1.964 0.082 9 0 "[ . 1]" 1 2263 1 18 ILE HG13 1 20 MET H 2.630 2.238 3.022 3.060 2.974 3.153 0.131 9 0 "[ . 1]" 1 2264 1 47 ILE H 2 24 LEU QD 2.630 2.238 3.022 3.059 2.972 3.154 0.132 9 0 "[ . 1]" 1 2265 1 24 LEU QD 1 25 LYS HA 1.789 . 2.124 2.138 2.121 2.163 0.039 7 0 "[ . 1]" 1 2266 1 44 GLU HA 2 24 LEU QD 1.789 . 2.124 2.138 2.110 2.159 0.035 10 0 "[ . 1]" 1 2267 1 24 LEU QD 1 25 LYS QB 2.035 . 6.000 2.802 2.717 3.193 . 0 0 "[ . 1]" 1 2268 1 47 ILE HB 2 24 LEU QD 2.035 . 6.000 2.802 2.716 3.194 . 0 0 "[ . 1]" 1 2269 1 29 LYS QG 1 32 CYS HB2 3.814 3.385 4.243 3.632 3.596 3.671 . 0 0 "[ . 1]" 1 2270 2 29 LYS QG 2 32 CYS HB2 3.814 3.385 4.243 3.633 3.594 3.670 . 0 0 "[ . 1]" 1 2271 1 37 LEU H 1 39 LEU MD1 2.912 . 6.000 6.076 6.069 6.088 0.088 4 0 "[ . 1]" 1 2272 1 18 ILE H 2 39 LEU MD1 2.912 . 6.000 6.076 6.070 6.086 0.086 4 0 "[ . 1]" 1 2273 1 11 LYS QG 1 13 LYS HA 3.534 . 6.000 5.503 4.011 5.938 . 0 0 "[ . 1]" 1 2274 1 13 LYS HA 2 22 LYS QG 3.534 . 6.000 5.500 4.011 5.917 . 0 0 "[ . 1]" 1 2275 1 28 LEU MD2 1 32 CYS HB2 3.236 2.616 3.856 3.826 3.716 3.895 0.039 7 0 "[ . 1]" 1 2276 2 28 LEU MD2 2 32 CYS HB2 3.236 2.616 3.856 3.827 3.717 3.896 0.040 7 0 "[ . 1]" 1 2277 1 11 LYS H 1 11 LYS QG 4.293 . 6.000 2.493 2.005 2.958 . 0 0 "[ . 1]" 1 2278 2 11 LYS H 2 11 LYS QG 4.293 . 6.000 2.497 2.014 2.963 . 0 0 "[ . 1]" 1 2279 1 29 LYS QE 1 29 LYS QG 2.502 . 6.000 2.001 1.884 2.147 . 0 0 "[ . 1]" 1 2280 2 29 LYS QE 2 29 LYS QG 2.502 . 6.000 2.001 1.885 2.148 . 0 0 "[ . 1]" 1 2281 1 40 THR H 1 40 THR MG 2.903 . 6.000 3.611 3.591 3.635 . 0 0 "[ . 1]" 1 2282 1 18 ILE H 2 40 THR MG 2.903 . 6.000 3.612 3.594 3.635 . 0 0 "[ . 1]" 1 2283 1 50 TYR H 1 51 LEU MD1 3.475 2.892 4.058 3.932 3.847 4.021 . 0 0 "[ . 1]" 1 2284 1 31 TYR H 2 51 LEU MD1 3.475 2.892 4.058 3.933 3.840 4.027 . 0 0 "[ . 1]" 1 2285 1 51 LEU MD1 1 54 ARG H 3.091 2.538 3.644 3.668 3.618 3.714 0.070 6 0 "[ . 1]" 1 2286 1 31 TYR QE 2 51 LEU MD1 3.091 2.538 3.644 3.669 3.617 3.712 0.068 6 0 "[ . 1]" 1 2287 1 51 LEU MD1 1 52 GLN HA 3.501 2.972 4.030 4.049 4.009 4.089 0.059 9 0 "[ . 1]" 1 2288 1 27 ARG HA 2 51 LEU MD1 3.501 2.972 4.030 4.049 4.005 4.094 0.064 9 0 "[ . 1]" 1 2289 1 50 TYR QB 1 51 LEU MD1 2.113 . 6.000 3.171 3.057 3.310 . 0 0 "[ . 1]" 1 2290 2 50 TYR QB 2 51 LEU MD1 2.113 . 6.000 3.170 3.051 3.310 . 0 0 "[ . 1]" 1 2291 1 40 THR MG 1 44 GLU HG2 2.826 . 6.000 3.405 3.343 3.502 . 0 0 "[ . 1]" 1 2292 1 19 TYR HB3 2 40 THR MG 2.826 . 6.000 3.403 3.336 3.505 . 0 0 "[ . 1]" 1 2293 1 40 THR MG 1 41 GLN QG 3.147 . 6.000 4.613 4.521 4.697 . 0 0 "[ . 1]" 1 2294 1 20 MET HG3 2 40 THR MG 3.147 . 6.000 4.613 4.516 4.702 . 0 0 "[ . 1]" 1 2295 1 51 LEU MD1 1 54 ARG HB2 2.386 . 6.000 3.233 3.164 3.284 . 0 0 "[ . 1]" 1 2296 1 28 LEU HB2 2 51 LEU MD1 2.386 . 6.000 3.234 3.168 3.287 . 0 0 "[ . 1]" 1 2297 1 40 THR MG 1 43 ILE HB 2.130 . 6.000 2.656 2.478 2.789 . 0 0 "[ . 1]" 1 2298 1 20 MET HB3 2 40 THR MG 2.130 . 6.000 2.656 2.470 2.808 . 0 0 "[ . 1]" 1 2299 1 51 LEU MD1 2 28 LEU HB3 2.561 . 6.000 3.957 3.837 4.060 . 0 0 "[ . 1]" 1 2300 1 28 LEU HB3 2 51 LEU MD1 2.561 . 6.000 3.959 3.832 4.067 . 0 0 "[ . 1]" 1 2301 1 15 VAL H 1 15 VAL MG1 2.744 . 6.000 3.502 3.480 3.544 . 0 0 "[ . 1]" 1 2302 1 19 TYR H 2 15 VAL MG1 2.744 . 6.000 3.500 3.482 3.539 . 0 0 "[ . 1]" 1 2303 1 22 LYS QE 1 26 THR MG 3.492 2.769 4.215 3.403 2.952 4.227 0.012 4 0 "[ . 1]" 1 2304 2 22 LYS QE 2 26 THR MG 3.492 2.769 4.215 3.401 2.955 4.233 0.018 4 0 "[ . 1]" 1 2305 1 14 ALA MB 2 20 MET HG2 3.179 2.535 3.823 3.529 3.448 3.667 . 0 0 "[ . 1]" 1 2306 1 20 MET HG2 2 14 ALA MB 3.179 2.535 3.823 3.530 3.454 3.667 . 0 0 "[ . 1]" 1 2307 1 27 ARG HA 1 30 VAL MG1 2.517 . 6.000 3.477 3.446 3.512 . 0 0 "[ . 1]" 1 2308 2 27 ARG HA 2 30 VAL MG1 2.517 . 6.000 3.476 3.443 3.508 . 0 0 "[ . 1]" 1 2309 1 29 LYS QE 1 30 VAL MG1 2.881 . 6.000 4.260 3.716 4.833 . 0 0 "[ . 1]" 1 2310 2 29 LYS QE 2 30 VAL MG1 2.881 . 6.000 4.259 3.717 4.832 . 0 0 "[ . 1]" 1 2311 1 15 VAL MG1 1 16 PHE HB3 4.380 3.482 5.278 4.213 4.175 4.238 . 0 0 "[ . 1]" 1 2312 1 19 TYR HB2 2 15 VAL MG1 4.380 3.482 5.278 4.211 4.174 4.232 . 0 0 "[ . 1]" 1 2313 1 14 ALA MB 1 15 VAL MG1 2.636 . 6.000 4.867 4.855 4.885 . 0 0 "[ . 1]" 1 2314 1 25 LYS HD3 2 15 VAL MG1 2.636 . 6.000 4.867 4.847 4.882 . 0 0 "[ . 1]" 1 2315 1 14 ALA H 1 15 VAL MG2 3.114 . 6.000 3.819 3.798 3.855 . 0 0 "[ . 1]" 1 2316 2 14 ALA H 2 15 VAL MG2 3.114 . 6.000 3.820 3.803 3.856 . 0 0 "[ . 1]" 1 2317 1 15 VAL MG2 1 17 GLY HA2 3.532 . 6.000 6.000 5.931 6.040 0.040 9 0 "[ . 1]" 1 2318 1 17 GLY HA2 2 15 VAL MG2 3.532 . 6.000 6.002 5.926 6.038 0.038 9 0 "[ . 1]" 1 2319 1 31 TYR HB3 1 42 ALA MB 3.122 2.422 3.822 3.508 3.471 3.567 . 0 0 "[ . 1]" 1 2320 2 31 TYR HB3 2 42 ALA MB 3.122 2.422 3.822 3.507 3.471 3.567 . 0 0 "[ . 1]" 1 2321 1 42 ALA MB 1 44 GLU HG2 3.189 . 6.000 5.085 4.825 5.462 . 0 0 "[ . 1]" 1 2322 2 42 ALA MB 2 44 GLU HG2 3.189 . 6.000 5.081 4.835 5.459 . 0 0 "[ . 1]" 1 2323 1 39 LEU HB2 1 42 ALA MB 3.142 . 6.000 4.090 4.063 4.147 . 0 0 "[ . 1]" 1 2324 2 39 LEU HB2 2 42 ALA MB 3.142 . 6.000 4.089 4.062 4.142 . 0 0 "[ . 1]" 1 2325 1 43 ILE HA 1 47 ILE MG 3.304 2.763 3.845 3.749 3.708 3.790 . 0 0 "[ . 1]" 1 2326 1 43 ILE HA 2 47 ILE MG 3.304 2.763 3.845 3.749 3.707 3.789 . 0 0 "[ . 1]" 1 2327 1 47 ILE HG12 1 47 ILE MG 1.395 . 6.000 1.916 1.888 1.967 . 0 0 "[ . 1]" 1 2328 1 20 MET ME 2 47 ILE MG 1.395 . 6.000 1.918 1.890 1.969 . 0 0 "[ . 1]" 1 2329 1 14 ALA MB 1 47 ILE MG 2.671 . 6.000 5.425 5.349 5.512 . 0 0 "[ . 1]" 1 2330 2 14 ALA MB 2 47 ILE MG 2.671 . 6.000 5.423 5.351 5.514 . 0 0 "[ . 1]" 1 2331 1 18 ILE MG 2 25 LYS HE2 3.100 . 6.000 5.896 5.809 6.027 0.027 2 0 "[ . 1]" 1 2332 1 25 LYS HE2 2 18 ILE MG 3.100 . 6.000 5.893 5.805 6.022 0.022 2 0 "[ . 1]" 1 2333 1 18 ILE HG13 1 18 ILE MG 2.167 . 6.000 3.067 3.051 3.079 . 0 0 "[ . 1]" 1 2334 1 39 LEU MD1 2 18 ILE MG 2.167 . 6.000 3.066 3.050 3.082 . 0 0 "[ . 1]" 1 2335 1 29 LYS HA 1 33 ALA MB 3.609 2.927 4.291 4.360 4.320 4.394 0.103 1 0 "[ . 1]" 1 2336 2 29 LYS HA 2 33 ALA MB 3.609 2.927 4.291 4.362 4.324 4.396 0.105 10 0 "[ . 1]" 1 2337 1 43 ILE H 1 43 ILE MG 2.906 . 6.000 3.484 3.478 3.497 . 0 0 "[ . 1]" 1 2338 2 43 ILE H 2 43 ILE MG 2.906 . 6.000 3.483 3.474 3.496 . 0 0 "[ . 1]" 1 2339 1 44 GLU H 1 46 ALA MB 3.065 2.623 3.507 3.651 3.635 3.665 0.158 2 0 "[ . 1]" 1 2340 1 50 TYR H 2 46 ALA MB 3.065 2.623 3.507 3.649 3.634 3.665 0.158 1 0 "[ . 1]" 1 2341 1 43 ILE HA 1 46 ALA MB 1.627 . 1.877 1.938 1.905 1.975 0.098 1 0 "[ . 1]" 1 2342 1 50 TYR QB 2 46 ALA MB 1.627 . 1.877 1.936 1.898 1.975 0.098 1 0 "[ . 1]" 1 2343 1 43 ILE MG 1 44 GLU QB 3.269 2.757 3.781 3.902 3.888 3.922 0.141 8 0 "[ . 1]" 1 2344 2 43 ILE MG 2 44 GLU QB 3.269 2.757 3.781 3.903 3.886 3.918 0.137 8 0 "[ . 1]" 1 2345 1 46 ALA MB 1 47 ILE HB 2.679 2.193 3.165 2.713 2.659 2.783 . 0 0 "[ . 1]" 1 2346 1 47 ILE HB 2 46 ALA MB 2.679 2.193 3.165 2.713 2.660 2.780 . 0 0 "[ . 1]" 1 2347 1 20 MET ME 1 46 ALA MB 2.794 . 6.000 3.291 3.131 3.360 . 0 0 "[ . 1]" 1 2348 1 47 ILE HG12 2 46 ALA MB 2.794 . 6.000 3.292 3.135 3.362 . 0 0 "[ . 1]" 1 2349 1 14 ALA MB 1 43 ILE MG 2.437 . 6.000 4.651 4.619 4.669 . 0 0 "[ . 1]" 1 2350 1 25 LYS HD3 2 43 ILE MG 2.437 . 6.000 4.651 4.619 4.669 . 0 0 "[ . 1]" 1 2351 1 20 MET H 1 20 MET ME 3.860 3.177 4.543 4.043 3.991 4.082 . 0 0 "[ . 1]" 1 2352 1 47 ILE H 2 20 MET ME 3.860 3.177 4.543 4.042 3.991 4.081 . 0 0 "[ . 1]" 1 2353 1 20 MET ME 1 24 LEU H 4.569 3.636 5.502 4.775 4.690 4.998 . 0 0 "[ . 1]" 1 2354 1 43 ILE H 2 20 MET ME 4.569 3.636 5.502 4.774 4.693 4.990 . 0 0 "[ . 1]" 1 2355 1 20 MET ME 1 25 LYS HA 1.805 . 6.000 2.314 2.267 2.509 . 0 0 "[ . 1]" 1 2356 1 44 GLU HA 2 20 MET ME 1.805 . 6.000 2.314 2.262 2.512 . 0 0 "[ . 1]" 1 2357 1 20 MET ME 1 43 ILE HG13 1.822 . 6.000 3.310 3.160 3.384 . 0 0 "[ . 1]" 1 2358 1 47 ILE HG13 2 20 MET ME 1.822 . 6.000 3.310 3.156 3.381 . 0 0 "[ . 1]" 1 2359 1 47 ILE H 1 47 ILE MD 2.801 . 6.000 3.564 3.529 3.589 . 0 0 "[ . 1]" 1 2360 1 28 LEU H 2 47 ILE MD 2.801 . 6.000 3.564 3.525 3.589 . 0 0 "[ . 1]" 1 2361 1 28 LEU HA 1 43 ILE MD 3.620 . 6.000 5.336 5.260 5.407 . 0 0 "[ . 1]" 1 2362 1 18 ILE HA 2 43 ILE MD 3.620 . 6.000 5.336 5.259 5.409 . 0 0 "[ . 1]" 1 2363 1 16 PHE HB3 1 18 ILE MD 3.801 2.961 4.641 3.499 3.433 3.541 . 0 0 "[ . 1]" 1 2364 1 16 PHE HB3 2 18 ILE MD 3.801 2.961 4.641 3.501 3.434 3.543 . 0 0 "[ . 1]" 1 2365 1 47 ILE MD 2 20 MET HB3 2.257 . 6.000 4.157 4.117 4.201 . 0 0 "[ . 1]" 1 2366 1 20 MET HB3 2 47 ILE MD 2.257 . 6.000 4.158 4.114 4.204 . 0 0 "[ . 1]" 1 2367 1 20 MET ME 1 43 ILE MD 1.632 . 6.000 2.595 2.505 2.670 . 0 0 "[ . 1]" 1 2368 2 20 MET ME 2 43 ILE MD 1.632 . 6.000 2.595 2.500 2.672 . 0 0 "[ . 1]" 1 2369 1 47 ILE MD 2 20 MET ME 1.224 . 1.464 1.550 1.501 1.584 0.120 9 0 "[ . 1]" 1 2370 1 20 MET ME 2 47 ILE MD 1.224 . 1.464 1.548 1.501 1.580 0.116 9 0 "[ . 1]" 1 2371 1 25 LYS HG2 1 43 ILE MD 2.766 . 6.000 3.909 3.862 3.976 . 0 0 "[ . 1]" 1 2372 1 18 ILE HG12 2 43 ILE MD 2.766 . 6.000 3.909 3.861 3.968 . 0 0 "[ . 1]" 1 2373 1 18 ILE MD 1 20 MET HG3 3.679 . 6.000 4.652 4.502 4.890 . 0 0 "[ . 1]" 1 2374 1 41 GLN QG 2 18 ILE MD 3.679 . 6.000 4.653 4.500 4.884 . 0 0 "[ . 1]" 1 2375 1 47 ILE MD 2 20 MET HG3 4.747 3.549 5.945 4.726 4.541 4.956 . 0 0 "[ . 1]" 1 2376 1 20 MET HG3 2 47 ILE MD 4.747 3.549 5.945 4.728 4.545 4.953 . 0 0 "[ . 1]" 1 2377 1 18 ILE MD 1 20 MET HB3 1.733 . 6.000 2.254 2.215 2.285 . 0 0 "[ . 1]" 1 2378 1 43 ILE HB 2 18 ILE MD 1.733 . 6.000 2.252 2.213 2.281 . 0 0 "[ . 1]" 1 2379 1 18 ILE MD 1 20 MET ME 1.865 . 6.000 3.359 3.020 3.468 . 0 0 "[ . 1]" 1 2380 1 39 LEU HB3 2 18 ILE MD 1.865 . 6.000 3.359 3.012 3.470 . 0 0 "[ . 1]" 1 2381 1 24 LEU QD 1 28 LEU HB3 2.871 2.431 3.311 2.837 2.810 2.879 . 0 0 "[ . 1]" 1 2382 2 24 LEU QD 2 28 LEU HB3 2.871 2.431 3.311 2.836 2.810 2.876 . 0 0 "[ . 1]" 1 2383 1 51 LEU H 1 51 LEU HG 4.660 . 6.000 3.774 3.707 3.813 . 0 0 "[ . 1]" 1 2384 1 27 ARG HE 2 51 LEU HG 4.660 . 6.000 3.773 3.711 3.807 . 0 0 "[ . 1]" 1 2385 1 47 ILE HG12 1 51 LEU MD2 1.785 . 2.126 2.064 1.969 2.167 0.041 8 0 "[ . 1]" 1 2386 1 27 ARG HG3 2 51 LEU MD2 1.785 . 2.126 2.065 1.965 2.168 0.042 8 0 "[ . 1]" 1 2387 1 51 LEU MD1 2 27 ARG HG3 2.655 2.210 3.100 3.057 2.977 3.113 0.013 10 0 "[ . 1]" 1 2388 1 27 ARG HG3 2 51 LEU MD1 2.655 2.210 3.100 3.056 2.987 3.118 0.018 10 0 "[ . 1]" 1 2389 1 28 LEU MD1 1 39 LEU HG 2.781 . 6.000 3.738 3.719 3.770 . 0 0 "[ . 1]" 1 2390 2 28 LEU MD1 2 39 LEU HG 2.781 . 6.000 3.738 3.719 3.769 . 0 0 "[ . 1]" 1 2391 1 24 LEU QD 1 27 ARG H 3.867 3.122 4.612 3.880 3.757 4.032 . 0 0 "[ . 1]" 1 2392 1 44 GLU H 2 24 LEU QD 3.867 3.122 4.612 3.878 3.754 4.033 . 0 0 "[ . 1]" 1 2393 1 37 LEU MD2 1 38 GLN HG3 5.275 4.232 6.318 4.847 4.697 4.995 . 0 0 "[ . 1]" 1 2394 2 37 LEU MD2 2 38 GLN HG3 5.275 4.232 6.318 4.847 4.701 4.987 . 0 0 "[ . 1]" 1 2395 1 16 PHE HB3 1 17 GLY HA2 2.415 . 6.000 3.945 3.872 3.986 . 0 0 "[ . 1]" 1 2396 1 16 PHE HB3 2 17 GLY HA2 2.415 . 6.000 3.945 3.873 3.995 . 0 0 "[ . 1]" 1 2397 1 28 LEU HA 1 29 LYS QG 3.429 . 6.000 5.464 5.292 5.559 . 0 0 "[ . 1]" 1 2398 2 28 LEU HA 2 29 LYS QG 3.429 . 6.000 5.465 5.290 5.555 . 0 0 "[ . 1]" 1 2399 1 24 LEU HB2 1 27 ARG H 4.286 . 6.000 5.276 5.194 5.357 . 0 0 "[ . 1]" 1 2400 1 27 ARG H 2 51 LEU HB2 4.286 . 6.000 5.277 5.194 5.356 . 0 0 "[ . 1]" 1 2401 1 43 ILE HA 2 18 ILE MD 2.210 . 6.000 4.567 4.530 4.628 . 0 0 "[ . 1]" 1 2402 1 18 ILE MD 2 43 ILE HA 2.210 . 6.000 4.570 4.537 4.629 . 0 0 "[ . 1]" 1 2403 1 47 ILE HB 1 47 ILE HG13 2.781 2.295 3.267 2.263 2.225 2.302 0.070 1 0 "[ . 1]" 1 2404 1 43 ILE HG13 2 47 ILE HB 2.781 2.295 3.267 2.263 2.225 2.304 0.070 1 0 "[ . 1]" 1 2405 1 44 GLU HB2 1 46 ALA MB 3.485 . 6.000 3.953 3.599 4.150 . 0 0 "[ . 1]" 1 2406 1 24 LEU QD 2 44 GLU HB2 3.485 . 6.000 3.954 3.588 4.156 . 0 0 "[ . 1]" 1 2407 1 44 GLU HB3 2 24 LEU QD 2.752 2.316 3.188 2.716 2.318 2.966 . 0 0 "[ . 1]" 1 2408 1 24 LEU QD 2 44 GLU HB3 2.752 2.316 3.188 2.717 2.304 2.961 0.012 4 0 "[ . 1]" 1 2409 1 46 ALA MB 1 50 TYR HA 5.445 . 6.000 4.158 4.081 4.223 . 0 0 "[ . 1]" 1 2410 1 28 LEU MD2 2 50 TYR HA 5.445 . 6.000 4.160 4.090 4.222 . 0 0 "[ . 1]" 1 2411 1 41 GLN HE21 1 41 GLN QG 2.892 . 6.000 1.969 1.950 1.995 . 0 0 "[ . 1]" 1 2412 2 41 GLN HE21 2 41 GLN QG 2.892 . 6.000 1.970 1.956 1.994 . 0 0 "[ . 1]" 1 2413 1 31 TYR QE 2 54 ARG HB3 5.334 . 6.000 3.505 3.410 3.616 . 0 0 "[ . 1]" 1 2414 1 18 ILE MD 2 41 GLN H 5.334 . 6.000 3.503 3.413 3.615 . 0 0 "[ . 1]" 1 2415 1 48 LYS HA 2 20 MET ME 4.386 3.660 5.112 5.096 4.916 5.173 0.061 7 0 "[ . 1]" 1 2416 1 20 MET ME 2 48 LYS HA 4.386 3.660 5.112 5.099 4.915 5.178 0.066 7 0 "[ . 1]" 1 2417 1 25 LYS HA 2 47 ILE HB 4.586 3.925 5.247 5.420 5.363 5.485 0.238 1 0 "[ . 1]" 1 2418 1 47 ILE HB 2 25 LYS HA 4.586 3.925 5.247 5.420 5.364 5.485 0.238 1 0 "[ . 1]" 1 2419 1 19 TYR HA 2 14 ALA H . 2.984 3.658 3.593 3.556 3.628 . 0 0 "[ . 1]" 1 2420 1 14 ALA H 2 19 TYR HA . 2.984 3.658 3.596 3.558 3.623 . 0 0 "[ . 1]" 1 2421 1 19 TYR HA 2 13 LYS QD 5.543 . 6.000 4.270 3.968 4.416 . 0 0 "[ . 1]" 1 2422 1 13 LYS QD 2 19 TYR HA 5.543 . 6.000 4.270 3.963 4.431 . 0 0 "[ . 1]" 1 2423 1 13 LYS HA 2 22 LYS QG 5.059 4.404 5.714 5.651 5.447 5.816 0.102 5 0 "[ . 1]" 1 2424 1 22 LYS QG 2 13 LYS HA 5.059 4.404 5.714 5.653 5.421 5.809 0.095 5 0 "[ . 1]" 1 2425 1 21 ASP HA 2 11 LYS QG 5.383 4.815 5.951 5.428 4.700 5.727 0.115 2 0 "[ . 1]" 1 2426 1 11 LYS QG 2 21 ASP HA 5.383 4.815 5.951 5.429 4.702 5.741 0.113 2 0 "[ . 1]" 1 2427 1 17 GLY HA3 2 15 VAL MG2 4.208 . 6.000 5.884 5.816 5.941 . 0 0 "[ . 1]" 1 2428 1 15 VAL MG2 2 17 GLY HA3 4.208 . 6.000 5.884 5.810 5.942 . 0 0 "[ . 1]" 1 2429 1 17 GLY HA2 2 15 VAL MG2 3.339 . 6.000 5.076 5.008 5.140 . 0 0 "[ . 1]" 1 2430 1 15 VAL MG2 2 17 GLY HA2 3.339 . 6.000 5.076 5.008 5.142 . 0 0 "[ . 1]" 1 2431 1 25 LYS HE2 2 16 PHE QR 4.401 . 6.000 3.044 2.900 3.103 . 0 0 "[ . 1]" 1 2432 1 16 PHE QR 2 25 LYS HE2 4.401 . 6.000 3.046 2.912 3.099 . 0 0 "[ . 1]" 1 2433 1 51 LEU MD2 2 24 LEU QD 1.377 . 6.000 2.097 2.051 2.160 . 0 0 "[ . 1]" 1 2434 1 24 LEU QD 2 51 LEU MD2 1.377 . 6.000 2.099 2.051 2.174 . 0 0 "[ . 1]" 1 2435 1 28 LEU MD1 2 16 PHE QE 2.995 . 6.000 4.497 4.459 4.537 . 0 0 "[ . 1]" 1 2436 1 16 PHE QE 2 28 LEU MD1 2.995 . 6.000 4.499 4.464 4.541 . 0 0 "[ . 1]" 1 2437 1 24 LEU QD 2 44 GLU HG3 3.259 2.783 3.735 3.298 3.000 3.466 . 0 0 "[ . 1]" 1 2438 1 44 GLU HG3 2 24 LEU QD 3.259 2.783 3.735 3.296 2.990 3.462 . 0 0 "[ . 1]" 1 2439 1 18 ILE HG13 2 15 VAL HB 3.636 . 6.000 6.075 5.978 6.111 0.111 7 0 "[ . 1]" 1 2440 1 15 VAL HB 2 18 ILE HG13 3.636 . 6.000 6.076 5.983 6.111 0.111 7 0 "[ . 1]" 1 2441 1 24 LEU QD 2 47 ILE H 3.483 2.693 4.273 2.786 2.618 2.914 0.075 4 0 "[ . 1]" 1 2442 1 47 ILE H 2 24 LEU QD 3.483 2.693 4.273 2.782 2.610 2.918 0.083 9 0 "[ . 1]" 1 2443 1 39 LEU MD1 2 16 PHE HZ 2.370 . 2.887 1.816 1.787 1.842 0.066 2 0 "[ . 1]" 1 2444 1 16 PHE HZ 2 39 LEU MD1 2.370 . 2.887 1.817 1.790 1.841 0.063 2 0 "[ . 1]" 1 2445 1 39 LEU MD2 2 16 PHE QE 3.182 2.691 3.673 3.566 3.498 3.612 . 0 0 "[ . 1]" 1 2446 1 16 PHE QE 2 39 LEU MD2 3.182 2.691 3.673 3.566 3.496 3.614 . 0 0 "[ . 1]" 1 2447 1 39 LEU MD1 2 18 ILE MD 2.381 . 6.000 3.663 3.594 3.728 . 0 0 "[ . 1]" 1 2448 1 18 ILE MD 2 39 LEU MD1 2.381 . 6.000 3.663 3.589 3.733 . 0 0 "[ . 1]" 1 2449 1 51 LEU MD1 2 27 ARG HE 4.848 4.077 5.619 5.451 5.320 5.569 . 0 0 "[ . 1]" 1 2450 1 27 ARG HE 2 51 LEU MD1 4.848 4.077 5.619 5.448 5.316 5.546 . 0 0 "[ . 1]" 1 2451 1 42 ALA MB 2 47 ILE MD 2.811 . 3.702 3.779 3.733 3.819 0.117 8 0 "[ . 1]" 1 2452 1 47 ILE MD 2 42 ALA MB 2.811 . 3.702 3.778 3.731 3.807 0.105 8 0 "[ . 1]" 1 2453 1 47 ILE MG 2 24 LEU H 5.222 4.115 6.329 5.612 5.533 5.666 . 0 0 "[ . 1]" 1 2454 1 24 LEU H 2 47 ILE MG 5.222 4.115 6.329 5.613 5.532 5.670 . 0 0 "[ . 1]" 1 2455 1 18 ILE MG 2 16 PHE QD 3.096 . 6.000 5.403 5.276 5.501 . 0 0 "[ . 1]" 1 2456 1 16 PHE QD 2 18 ILE MG 3.096 . 6.000 5.401 5.276 5.497 . 0 0 "[ . 1]" 1 2457 1 18 ILE MG 2 39 LEU HB2 4.112 3.106 5.118 3.810 3.749 3.887 . 0 0 "[ . 1]" 1 2458 1 39 LEU HB2 2 18 ILE MG 4.112 3.106 5.118 3.807 3.743 3.886 . 0 0 "[ . 1]" 1 2459 1 47 ILE MG 2 28 LEU HB3 3.330 . 6.000 4.589 4.459 4.678 . 0 0 "[ . 1]" 1 2460 1 28 LEU HB3 2 47 ILE MG 3.330 . 6.000 4.591 4.453 4.688 . 0 0 "[ . 1]" 1 2461 1 18 ILE MG 2 43 ILE MD 1.814 . 6.000 3.475 3.428 3.519 . 0 0 "[ . 1]" 1 2462 1 43 ILE MD 2 18 ILE MG 1.814 . 6.000 3.471 3.420 3.514 . 0 0 "[ . 1]" 1 2463 1 46 ALA MB 2 47 ILE MD 2.658 2.020 3.296 3.334 3.321 3.357 0.061 8 0 "[ . 1]" 1 2464 1 47 ILE MD 2 46 ALA MB 2.658 2.020 3.296 3.334 3.314 3.355 0.059 8 0 "[ . 1]" 1 2465 1 43 ILE MG 2 25 LYS HA 6.935 3.788 10.082 5.421 5.361 5.507 . 0 0 "[ . 1]" 1 2466 1 25 LYS HA 2 43 ILE MG 6.935 3.788 10.082 5.420 5.362 5.506 . 0 0 "[ . 1]" 1 2467 1 20 MET ME 2 18 ILE MD 1.836 . 6.000 4.652 4.605 4.722 . 0 0 "[ . 1]" 1 2468 1 18 ILE MD 2 20 MET ME 1.836 . 6.000 4.651 4.602 4.717 . 0 0 "[ . 1]" 1 2469 1 43 ILE MD 2 16 PHE QE 1.752 . 2.196 2.014 1.953 2.045 . 0 0 "[ . 1]" 1 2470 1 16 PHE QE 2 43 ILE MD 1.752 . 2.196 2.016 1.948 2.050 . 0 0 "[ . 1]" 1 2471 1 47 ILE MD 2 20 MET HB3 3.876 3.034 4.718 4.371 4.318 4.439 . 0 0 "[ . 1]" 1 2472 1 20 MET HB3 2 47 ILE MD 3.876 3.034 4.718 4.372 4.314 4.444 . 0 0 "[ . 1]" 1 2473 1 43 ILE MD 2 20 MET ME 2.911 . 6.000 5.590 5.377 5.667 . 0 0 "[ . 1]" 1 2474 1 20 MET ME 2 43 ILE MD 2.911 . 6.000 5.590 5.386 5.672 . 0 0 "[ . 1]" 1 2475 1 47 ILE MD 2 24 LEU QD 1.645 . 2.122 2.100 2.003 2.166 0.044 8 0 "[ . 1]" 1 2476 1 24 LEU QD 2 47 ILE MD 1.645 . 2.122 2.100 2.003 2.166 0.044 8 0 "[ . 1]" 1 2477 1 25 LYS HA 2 51 LEU MD2 5.098 3.654 6.542 4.232 4.186 4.288 . 0 0 "[ . 1]" 1 2478 1 18 ILE MD 2 44 GLU HA 5.098 3.654 6.542 4.231 4.188 4.288 . 0 0 "[ . 1]" 1 2479 1 46 ALA MB 2 46 ALA H 4.521 3.711 5.331 4.238 4.210 4.257 . 0 0 "[ . 1]" 1 2480 1 46 ALA H 2 46 ALA MB 4.521 3.711 5.331 4.236 4.208 4.250 . 0 0 "[ . 1]" 1 2481 1 51 LEU MD1 2 24 LEU HB2 4.577 . 6.000 5.878 5.725 6.055 0.055 2 0 "[ . 1]" 1 2482 1 24 LEU HB2 2 51 LEU MD1 4.577 . 6.000 5.879 5.724 6.056 0.056 2 0 "[ . 1]" 1 2483 1 16 PHE QE 2 25 LYS HD3 5.053 4.061 6.045 4.434 4.372 4.497 . 0 0 "[ . 1]" 1 2484 1 25 LYS HD3 2 16 PHE QE 5.053 4.061 6.045 4.433 4.378 4.492 . 0 0 "[ . 1]" 1 2485 1 31 TYR QE 2 55 ASN HB2 5.854 4.413 7.295 4.880 4.638 4.979 . 0 0 "[ . 1]" 1 2486 1 55 ASN HB2 2 31 TYR QE 5.854 4.413 7.295 4.876 4.644 4.975 . 0 0 "[ . 1]" 1 2487 1 31 TYR QD 2 56 GLY HA2 3.695 3.309 4.081 3.350 3.235 3.561 0.074 10 0 "[ . 1]" 1 2488 1 56 GLY HA2 2 31 TYR QD 3.695 3.309 4.081 3.347 3.220 3.588 0.089 7 0 "[ . 1]" 1 2489 1 31 TYR HA 1 31 TYR QD 2.484 2.216 2.752 2.597 2.413 2.695 . 0 0 "[ . 1]" 1 2490 2 31 TYR HA 2 31 TYR QD 2.484 2.216 2.752 2.595 2.415 2.696 . 0 0 "[ . 1]" 1 2491 1 31 TYR QD 1 32 CYS HA 2.963 2.583 3.343 3.227 3.164 3.311 . 0 0 "[ . 1]" 1 2492 2 31 TYR QD 2 32 CYS HA 2.963 2.583 3.343 3.225 3.159 3.309 . 0 0 "[ . 1]" 1 2493 1 31 TYR QD 2 55 ASN HB2 2.704 . 6.000 4.480 4.273 4.742 . 0 0 "[ . 1]" 1 2494 1 55 ASN HB2 2 31 TYR QD 2.704 . 6.000 4.477 4.278 4.766 . 0 0 "[ . 1]" 1 2495 1 16 PHE QR 1 18 ILE HA 3.572 3.176 3.968 3.677 3.623 3.747 . 0 0 "[ . 1]" 1 2496 1 39 LEU HA 2 16 PHE QR 3.572 3.176 3.968 3.677 3.629 3.752 . 0 0 "[ . 1]" 1 2497 1 16 PHE QR 2 25 LYS HA 4.072 . 6.000 5.061 4.962 5.115 . 0 0 "[ . 1]" 1 2498 1 25 LYS HA 2 16 PHE QR 4.072 . 6.000 5.059 4.960 5.113 . 0 0 "[ . 1]" 1 2499 1 14 ALA MB 1 16 PHE QR 3.258 2.914 3.602 3.628 3.590 3.648 0.046 6 0 "[ . 1]" 1 2500 1 25 LYS HD3 2 16 PHE QR 3.258 2.914 3.602 3.626 3.596 3.653 0.051 6 0 "[ . 1]" 1 2501 1 15 VAL HA 1 16 PHE QR 4.806 4.304 5.308 5.134 5.087 5.165 . 0 0 "[ . 1]" 1 2502 1 38 GLN HA 2 16 PHE QR 4.806 4.304 5.308 5.134 5.088 5.166 . 0 0 "[ . 1]" 1 2503 1 15 VAL HB 1 16 PHE QR 2.812 . 6.000 3.732 3.384 3.841 . 0 0 "[ . 1]" 1 2504 1 20 MET ME 2 16 PHE QR 2.812 . 6.000 3.731 3.379 3.837 . 0 0 "[ . 1]" 1 2505 1 16 PHE QR 1 18 ILE HB 2.904 . 6.000 3.934 3.885 3.975 . 0 0 "[ . 1]" 1 2506 1 29 LYS QG 2 16 PHE QR 2.904 . 6.000 3.934 3.886 3.975 . 0 0 "[ . 1]" 1 2507 1 16 PHE QR 1 18 ILE HG12 2.423 2.115 2.731 2.797 2.767 2.820 0.089 9 0 "[ . 1]" 1 2508 1 25 LYS HG2 2 16 PHE QR 2.423 2.115 2.731 2.798 2.769 2.824 0.093 9 0 "[ . 1]" 1 2509 1 16 PHE QR 2 39 LEU MD2 2.603 2.273 2.933 3.021 2.998 3.038 0.105 10 0 "[ . 1]" 1 2510 1 39 LEU MD2 2 16 PHE QR 2.603 2.273 2.933 3.019 3.003 3.037 0.104 3 0 "[ . 1]" 1 2511 1 19 TYR QD 2 13 LYS QD 3.370 3.041 3.699 3.352 2.968 3.550 0.073 3 0 "[ . 1]" 1 2512 1 13 LYS QD 2 19 TYR QD 3.370 3.041 3.699 3.351 2.962 3.545 0.079 3 0 "[ . 1]" 1 2513 1 19 TYR QD 2 14 ALA MB 3.649 . 6.000 4.388 4.187 4.807 . 0 0 "[ . 1]" 1 2514 1 14 ALA MB 2 19 TYR QD 3.649 . 6.000 4.387 4.186 4.807 . 0 0 "[ . 1]" 1 2515 1 31 TYR HA 1 31 TYR QE 4.337 3.909 4.765 4.180 4.123 4.281 . 0 0 "[ . 1]" 1 2516 2 31 TYR HA 2 31 TYR QE 4.337 3.909 4.765 4.180 4.122 4.283 . 0 0 "[ . 1]" 1 2517 1 31 TYR QE 2 54 ARG HD2 5.521 . 6.000 4.803 4.709 4.945 . 0 0 "[ . 1]" 1 2518 1 54 ARG HD2 2 31 TYR QE 5.521 . 6.000 4.803 4.710 4.938 . 0 0 "[ . 1]" 1 2519 1 31 TYR QE 1 45 GLU QB 3.980 . 6.000 3.559 3.488 3.771 . 0 0 "[ . 1]" 1 2520 1 54 ARG HB2 2 31 TYR QE 3.980 . 6.000 3.560 3.488 3.774 . 0 0 "[ . 1]" 1 2521 1 31 TYR QE 1 37 LEU HB3 3.601 3.226 3.976 3.919 3.801 4.013 0.037 7 0 "[ . 1]" 1 2522 1 54 ARG HD3 2 31 TYR QE 3.601 3.226 3.976 3.920 3.802 4.015 0.039 7 0 "[ . 1]" 1 2523 1 31 TYR QE 1 42 ALA MB 2.631 . 6.000 3.067 2.804 3.276 . 0 0 "[ . 1]" 1 2524 2 31 TYR QE 2 42 ALA MB 2.631 . 6.000 3.068 2.805 3.276 . 0 0 "[ . 1]" 1 2525 1 28 LEU MD2 1 31 TYR QE 2.519 . 6.000 3.339 3.225 3.452 . 0 0 "[ . 1]" 1 2526 2 28 LEU MD2 2 31 TYR QE 2.519 . 6.000 3.340 3.230 3.452 . 0 0 "[ . 1]" 1 2527 1 31 TYR QE 2 54 ARG HB3 3.171 2.805 3.537 3.446 3.354 3.553 0.016 2 0 "[ . 1]" 1 2528 1 18 ILE MD 2 41 GLN H 3.171 2.805 3.537 3.444 3.350 3.550 0.013 6 0 "[ . 1]" 1 2529 1 18 ILE HB 1 19 TYR QE 3.708 . 6.000 4.863 4.249 5.144 . 0 0 "[ . 1]" 1 2530 1 13 LYS QD 2 19 TYR QE 3.708 . 6.000 4.862 4.252 5.140 . 0 0 "[ . 1]" 1 2531 1 50 TYR QD 1 51 LEU HG 2.754 . 6.000 4.615 4.465 4.734 . 0 0 "[ . 1]" 1 2532 2 50 TYR QD 2 51 LEU HG 2.754 . 6.000 4.614 4.470 4.734 . 0 0 "[ . 1]" 1 2533 1 50 TYR QD 2 28 LEU MD2 1.621 . 6.000 2.168 2.094 2.217 . 0 0 "[ . 1]" 1 2534 1 28 LEU MD2 2 50 TYR QD 1.621 . 6.000 2.169 2.104 2.218 . 0 0 "[ . 1]" 1 2535 1 47 ILE MG 1 50 TYR QD 2.536 . 6.000 4.282 4.208 4.361 . 0 0 "[ . 1]" 1 2536 1 28 LEU MD1 2 50 TYR QD 2.536 . 6.000 4.283 4.215 4.358 . 0 0 "[ . 1]" 1 2537 1 47 ILE HA 1 50 TYR QD 2.664 . 6.000 3.126 3.050 3.186 . 0 0 "[ . 1]" 1 2538 2 47 ILE HA 2 50 TYR QD 2.664 . 6.000 3.125 3.050 3.185 . 0 0 "[ . 1]" 1 2539 1 50 TYR QE 2 37 LEU HB2 4.386 . 6.000 5.899 5.716 6.029 0.029 6 0 "[ . 1]" 1 2540 1 37 LEU HB2 2 50 TYR QE 4.386 . 6.000 5.900 5.719 6.036 0.036 6 0 "[ . 1]" 1 2541 1 13 LYS QB 1 14 ALA HA 3.426 . 6.000 4.130 4.021 4.305 . 0 0 "[ . 1]" 1 2542 1 22 LYS QD 2 14 ALA HA 3.426 . 6.000 4.131 4.022 4.302 . 0 0 "[ . 1]" 1 2543 1 13 LYS QD 1 14 ALA HA 2.934 . 6.000 4.709 3.384 5.002 . 0 0 "[ . 1]" 1 2544 1 22 LYS QG 2 14 ALA HA 2.934 . 6.000 4.706 3.375 5.005 . 0 0 "[ . 1]" 1 2545 1 23 ASP HA 1 24 LEU HA 3.289 . 6.000 4.148 4.054 4.247 . 0 0 "[ . 1]" 1 2546 2 23 ASP HA 2 24 LEU HA 3.289 . 6.000 4.148 4.054 4.246 . 0 0 "[ . 1]" 1 2547 1 23 ASP HA 1 23 ASP HB2 2.212 2.002 2.422 2.106 2.072 2.115 . 0 0 "[ . 1]" 1 2548 2 23 ASP HA 2 23 ASP HB2 2.212 2.002 2.422 2.106 2.073 2.118 . 0 0 "[ . 1]" 1 2549 1 15 VAL HA 2 20 MET HB3 3.998 3.649 4.347 3.999 3.974 4.030 . 0 0 "[ . 1]" 1 2550 1 20 MET HB3 2 15 VAL HA 3.998 3.649 4.347 3.999 3.971 4.034 . 0 0 "[ . 1]" 1 2551 1 15 VAL HA 2 25 LYS HD2 3.686 3.384 3.988 3.417 3.269 3.549 0.115 4 0 "[ . 1]" 1 2552 1 13 LYS QB 2 21 ASP HA 3.686 3.384 3.988 3.417 3.278 3.549 0.106 4 0 "[ . 1]" 1 2553 1 15 VAL HA 2 18 ILE HB 3.099 . 6.000 3.966 3.935 3.993 . 0 0 "[ . 1]" 1 2554 1 13 LYS QD 2 21 ASP HA 3.099 . 6.000 3.967 3.936 3.994 . 0 0 "[ . 1]" 1 2555 1 14 ALA MB 1 15 VAL HA 2.593 2.326 2.860 2.949 2.898 3.004 0.144 4 0 "[ . 1]" 1 2556 1 14 ALA MB 2 21 ASP HA 2.593 2.326 2.860 2.949 2.893 3.007 0.147 4 0 "[ . 1]" 1 2557 1 51 LEU MD2 1 56 GLY HA2 3.589 . 6.000 4.035 3.785 4.377 . 0 0 "[ . 1]" 1 2558 2 51 LEU MD2 2 56 GLY HA2 3.589 . 6.000 4.036 3.781 4.383 . 0 0 "[ . 1]" 1 2559 1 33 ALA MB 1 36 ASN HA 4.217 3.734 4.700 4.337 4.306 4.398 . 0 0 "[ . 1]" 1 2560 2 33 ALA MB 2 36 ASN HA 4.217 3.734 4.700 4.337 4.305 4.398 . 0 0 "[ . 1]" 1 2561 1 22 LYS QD 1 26 THR HB 3.749 3.437 4.061 3.655 3.516 3.907 . 0 0 "[ . 1]" 1 2562 1 27 ARG HG3 2 56 GLY HA2 3.749 3.437 4.061 3.655 3.496 3.912 . 0 0 "[ . 1]" 1 2563 1 29 LYS QG 1 39 LEU HA 3.416 . 6.000 4.539 4.456 4.624 . 0 0 "[ . 1]" 1 2564 1 28 LEU HA 1 28 LEU MD2 1.598 . 1.911 1.852 1.824 1.886 . 0 0 "[ . 1]" 1 2565 2 28 LEU HA 2 28 LEU MD2 1.598 . 1.911 1.851 1.828 1.883 . 0 0 "[ . 1]" 1 2566 1 11 LYS HA 1 11 LYS QD 2.805 . 6.000 2.395 1.899 2.621 . 0 0 "[ . 1]" 1 2567 2 11 LYS HA 2 11 LYS QD 2.805 . 6.000 2.395 1.895 2.620 . 0 0 "[ . 1]" 1 2568 1 28 LEU HA 1 28 LEU MD1 1.912 . 6.000 2.667 2.608 2.713 . 0 0 "[ . 1]" 1 2569 2 28 LEU HA 2 28 LEU MD1 1.912 . 6.000 2.667 2.610 2.713 . 0 0 "[ . 1]" 1 2570 1 28 LEU HA 1 31 TYR HB2 2.852 2.492 3.212 2.733 2.643 2.811 . 0 0 "[ . 1]" 1 2571 2 28 LEU HA 2 31 TYR HB2 2.852 2.492 3.212 2.733 2.645 2.811 . 0 0 "[ . 1]" 1 2572 1 18 ILE HA 1 18 ILE MG 1.586 . 6.000 2.040 2.021 2.056 . 0 0 "[ . 1]" 1 2573 1 51 LEU MD2 2 28 LEU HA 1.586 . 6.000 2.040 2.025 2.055 . 0 0 "[ . 1]" 1 2574 1 47 ILE HA 1 50 TYR HA 4.102 3.683 4.521 4.165 4.143 4.191 . 0 0 "[ . 1]" 1 2575 2 47 ILE HA 2 50 TYR HA 4.102 3.683 4.521 4.165 4.143 4.191 . 0 0 "[ . 1]" 1 2576 1 49 GLU QB 1 50 TYR HA 2.645 2.371 2.919 2.640 2.609 2.667 . 0 0 "[ . 1]" 1 2577 2 49 GLU QB 2 50 TYR HA 2.645 2.371 2.919 2.640 2.610 2.660 . 0 0 "[ . 1]" 1 2578 1 50 TYR HA 1 53 LYS HA 3.834 3.452 4.216 4.329 4.309 4.353 0.137 2 0 "[ . 1]" 1 2579 2 50 TYR HA 2 53 LYS HA 3.834 3.452 4.216 4.329 4.309 4.353 0.137 2 0 "[ . 1]" 1 2580 1 40 THR HB 2 18 ILE HB 3.343 3.038 3.648 3.227 3.029 3.349 0.009 5 0 "[ . 1]" 1 2581 1 18 ILE HB 2 40 THR HB 3.343 3.038 3.648 3.227 3.035 3.353 0.003 5 0 "[ . 1]" 1 2582 1 40 THR HB 2 18 ILE MD 2.633 2.365 2.901 2.897 2.878 2.916 0.015 2 0 "[ . 1]" 1 2583 1 18 ILE MD 2 40 THR HB 2.633 2.365 2.901 2.898 2.878 2.918 0.017 2 0 "[ . 1]" 1 2584 1 25 LYS HA 1 27 ARG HB3 4.355 3.809 4.901 3.999 3.949 4.045 . 0 0 "[ . 1]" 1 2585 1 20 MET HB3 2 44 GLU HA 4.355 3.809 4.901 4.000 3.955 4.048 . 0 0 "[ . 1]" 1 2586 1 29 LYS HA 1 31 TYR HA 4.121 3.625 4.617 4.626 4.611 4.642 0.025 8 0 "[ . 1]" 1 2587 2 29 LYS HA 2 31 TYR HA 4.121 3.625 4.617 4.625 4.611 4.640 0.023 8 0 "[ . 1]" 1 2588 1 30 VAL MG2 1 31 TYR HA 3.618 3.165 4.071 3.905 3.851 3.972 . 0 0 "[ . 1]" 1 2589 2 30 VAL MG2 2 31 TYR HA 3.618 3.165 4.071 3.906 3.849 3.971 . 0 0 "[ . 1]" 1 2590 1 31 TYR HA 2 51 LEU MD1 3.160 . 6.000 4.170 4.112 4.230 . 0 0 "[ . 1]" 1 2591 1 51 LEU MD1 2 31 TYR HA 3.160 . 6.000 4.169 4.118 4.224 . 0 0 "[ . 1]" 1 2592 1 24 LEU HA 1 25 LYS QB 3.587 3.218 3.956 3.899 3.786 3.993 0.037 5 0 "[ . 1]" 1 2593 2 24 LEU HA 2 25 LYS QB 3.587 3.218 3.956 3.899 3.788 3.994 0.038 5 0 "[ . 1]" 1 2594 1 24 LEU HA 1 24 LEU HB2 2.022 . 2.201 2.025 1.999 2.063 . 0 0 "[ . 1]" 1 2595 2 24 LEU HA 2 24 LEU HB2 2.022 . 2.201 2.025 2.001 2.062 . 0 0 "[ . 1]" 1 2596 1 20 MET ME 1 24 LEU HA 3.183 2.938 3.428 3.523 3.450 3.573 0.145 2 0 "[ . 1]" 1 2597 1 48 LYS QD 2 24 LEU HA 3.183 2.938 3.428 3.522 3.448 3.573 0.145 2 0 "[ . 1]" 1 2598 1 34 LYS HA 1 34 LYS HG2 2.416 2.173 2.659 2.432 2.393 2.518 . 0 0 "[ . 1]" 1 2599 2 34 LYS HA 2 34 LYS HG2 2.416 2.173 2.659 2.431 2.387 2.516 . 0 0 "[ . 1]" 1 2600 1 24 LEU HA 2 51 LEU MD2 3.967 3.380 4.554 3.946 3.876 4.102 . 0 0 "[ . 1]" 1 2601 1 51 LEU MD2 2 24 LEU HA 3.967 3.380 4.554 3.945 3.870 4.095 . 0 0 "[ . 1]" 1 2602 1 24 LEU HA 2 48 LYS QE 3.548 3.250 3.846 3.366 3.166 3.603 0.084 3 0 "[ . 1]" 1 2603 1 48 LYS QE 2 24 LEU HA 3.548 3.250 3.846 3.364 3.171 3.601 0.079 3 0 "[ . 1]" 1 2604 1 24 LEU HA 1 27 ARG HB3 2.190 . 2.431 2.254 2.183 2.301 . 0 0 "[ . 1]" 1 2605 2 24 LEU HA 2 27 ARG HB3 2.190 . 2.431 2.254 2.181 2.299 . 0 0 "[ . 1]" 1 2606 1 24 LEU HA 2 47 ILE MG 2.995 . 6.000 4.657 4.573 4.734 . 0 0 "[ . 1]" 1 2607 1 47 ILE MG 2 24 LEU HA 2.995 . 6.000 4.656 4.573 4.737 . 0 0 "[ . 1]" 1 2608 1 30 VAL MG1 1 31 TYR HA 2.241 . 6.000 2.788 2.520 2.943 . 0 0 "[ . 1]" 1 2609 2 30 VAL MG1 2 31 TYR HA 2.241 . 6.000 2.787 2.522 2.935 . 0 0 "[ . 1]" 1 2610 1 48 LYS QE 1 49 GLU HA 4.055 3.636 4.474 4.049 3.626 4.401 0.010 5 0 "[ . 1]" 1 2611 1 53 LYS QE 2 49 GLU HA 4.055 3.636 4.474 4.047 3.628 4.393 0.008 5 0 "[ . 1]" 1 2612 1 24 LEU HA 1 27 ARG HG2 3.297 3.002 3.592 3.392 3.344 3.452 . 0 0 "[ . 1]" 1 2613 2 24 LEU HA 2 27 ARG HG2 3.297 3.002 3.592 3.392 3.346 3.450 . 0 0 "[ . 1]" 1 2614 1 20 MET ME 1 24 LEU HA 3.094 2.800 3.388 3.105 3.050 3.214 . 0 0 "[ . 1]" 1 2615 1 48 LYS QD 2 24 LEU HA 3.094 2.800 3.388 3.105 3.049 3.215 . 0 0 "[ . 1]" 1 2616 1 27 ARG HA 2 51 LEU MD2 3.468 . 6.000 4.421 4.385 4.459 . 0 0 "[ . 1]" 1 2617 1 51 LEU MD2 2 27 ARG HA 3.468 . 6.000 4.420 4.384 4.460 . 0 0 "[ . 1]" 1 2618 1 29 LYS HA 1 29 LYS QD 3.059 2.783 3.335 3.033 2.990 3.122 . 0 0 "[ . 1]" 1 2619 2 29 LYS HA 2 29 LYS QD 3.059 2.783 3.335 3.034 2.990 3.123 . 0 0 "[ . 1]" 1 2620 1 28 LEU HB2 1 29 LYS HA 3.123 . 6.000 5.585 5.568 5.598 . 0 0 "[ . 1]" 1 2621 2 28 LEU HB2 2 29 LYS HA 3.123 . 6.000 5.585 5.574 5.597 . 0 0 "[ . 1]" 1 2622 1 29 LYS HA 1 32 CYS HB2 2.313 2.068 2.558 2.526 2.513 2.550 . 0 0 "[ . 1]" 1 2623 2 29 LYS HA 2 32 CYS HB2 2.313 2.068 2.558 2.526 2.513 2.550 . 0 0 "[ . 1]" 1 2624 1 29 LYS HA 1 29 LYS QG 2.319 2.071 2.567 2.367 2.326 2.412 . 0 0 "[ . 1]" 1 2625 2 29 LYS HA 2 29 LYS QG 2.319 2.071 2.567 2.366 2.325 2.410 . 0 0 "[ . 1]" 1 2626 1 46 ALA HA 1 47 ILE HA 3.614 3.163 4.065 3.624 3.568 3.682 . 0 0 "[ . 1]" 1 2627 1 47 ILE HA 2 46 ALA HA 3.614 3.163 4.065 3.625 3.576 3.679 . 0 0 "[ . 1]" 1 2628 1 45 GLU QB 1 46 ALA HA 2.926 2.597 3.255 3.192 3.078 3.283 0.028 3 0 "[ . 1]" 1 2629 2 45 GLU QB 2 46 ALA HA 2.926 2.597 3.255 3.191 3.075 3.286 0.031 3 0 "[ . 1]" 1 2630 1 22 LYS HA 1 25 LYS HA 3.647 . 6.000 4.427 4.394 4.456 . 0 0 "[ . 1]" 1 2631 2 22 LYS HA 2 25 LYS HA 3.647 . 6.000 4.426 4.394 4.459 . 0 0 "[ . 1]" 1 2632 1 20 MET ME 1 22 LYS HA 3.437 3.112 3.762 3.355 3.320 3.408 . 0 0 "[ . 1]" 1 2633 1 53 LYS QD 2 46 ALA HA 3.437 3.112 3.762 3.356 3.322 3.406 . 0 0 "[ . 1]" 1 2634 1 22 LYS HA 1 22 LYS QG 2.545 2.260 2.830 2.457 2.417 2.507 . 0 0 "[ . 1]" 1 2635 1 18 ILE HB 2 40 THR HA 2.545 2.260 2.830 2.456 2.421 2.506 . 0 0 "[ . 1]" 1 2636 1 22 LYS HA 1 25 LYS QB 2.869 2.526 3.212 2.870 2.782 3.006 . 0 0 "[ . 1]" 1 2637 2 22 LYS HA 2 25 LYS QB 2.869 2.526 3.212 2.869 2.783 3.007 . 0 0 "[ . 1]" 1 2638 1 26 THR HA 1 39 LEU MD2 3.981 3.471 4.491 4.397 4.338 4.474 . 0 0 "[ . 1]" 1 2639 2 26 THR HA 2 39 LEU MD2 3.981 3.471 4.491 4.398 4.341 4.476 . 0 0 "[ . 1]" 1 2640 1 40 THR HA 1 43 ILE MD 2.049 . 6.000 3.077 3.032 3.105 . 0 0 "[ . 1]" 1 2641 2 40 THR HA 2 43 ILE MD 2.049 . 6.000 3.079 3.028 3.106 . 0 0 "[ . 1]" 1 2642 1 22 LYS HA 1 24 LEU QD 3.291 2.785 3.797 3.703 3.661 3.751 . 0 0 "[ . 1]" 1 2643 1 18 ILE HG13 2 40 THR HA 3.291 2.785 3.797 3.703 3.659 3.754 . 0 0 "[ . 1]" 1 2644 1 26 THR HA 1 27 ARG HB2 3.933 . 6.000 5.426 5.384 5.479 . 0 0 "[ . 1]" 1 2645 2 26 THR HA 2 27 ARG HB2 3.933 . 6.000 5.427 5.384 5.480 . 0 0 "[ . 1]" 1 2646 1 25 LYS HG2 1 26 THR HA 3.732 3.238 4.226 3.866 3.783 4.007 . 0 0 "[ . 1]" 1 2647 1 18 ILE HG12 2 40 THR HA 3.732 3.238 4.226 3.866 3.779 4.008 . 0 0 "[ . 1]" 1 2648 1 30 VAL HA 2 51 LEU MD1 3.818 . 6.000 5.191 5.074 5.280 . 0 0 "[ . 1]" 1 2649 1 51 LEU MD1 2 30 VAL HA 3.818 . 6.000 5.189 5.077 5.282 . 0 0 "[ . 1]" 1 2650 1 30 VAL HA 1 34 LYS QB 3.032 2.623 3.441 3.276 3.123 3.404 . 0 0 "[ . 1]" 1 2651 2 30 VAL HA 2 34 LYS QB 3.032 2.623 3.441 3.274 3.122 3.404 . 0 0 "[ . 1]" 1 2652 1 29 LYS QD 1 30 VAL HA 2.452 2.153 2.751 2.243 2.173 2.283 . 0 0 "[ . 1]" 1 2653 2 29 LYS QD 2 30 VAL HA 2.452 2.153 2.751 2.242 2.174 2.282 . 0 0 "[ . 1]" 1 2654 1 20 MET ME 1 25 LYS HA 1.836 . 6.000 2.313 2.263 2.507 . 0 0 "[ . 1]" 1 2655 1 20 MET ME 2 44 GLU HA 1.836 . 6.000 2.314 2.266 2.514 . 0 0 "[ . 1]" 1 2656 1 43 ILE MG 1 47 ILE HA 2.787 . 6.000 4.385 4.332 4.435 . 0 0 "[ . 1]" 1 2657 1 43 ILE MD 2 47 ILE HA 2.787 . 6.000 4.386 4.332 4.439 . 0 0 "[ . 1]" 1 2658 1 47 ILE HA 1 51 LEU MD2 2.333 . 6.000 3.141 3.104 3.168 . 0 0 "[ . 1]" 1 2659 2 47 ILE HA 2 51 LEU MD2 2.333 . 6.000 3.141 3.105 3.169 . 0 0 "[ . 1]" 1 2660 1 47 ILE HA 1 47 ILE HG12 3.083 2.714 3.452 3.014 2.823 3.119 . 0 0 "[ . 1]" 1 2661 1 28 LEU HG 2 47 ILE HA 3.083 2.714 3.452 3.012 2.820 3.113 . 0 0 "[ . 1]" 1 2662 1 47 ILE HA 1 47 ILE MD 2.280 . 2.580 2.713 2.667 2.775 0.195 5 0 "[ . 1]" 1 2663 2 47 ILE HA 2 47 ILE MD 2.280 . 2.580 2.712 2.669 2.774 0.194 5 0 "[ . 1]" 1 2664 1 32 CYS HB2 1 33 ALA MB 3.834 3.404 4.264 3.891 3.803 3.938 . 0 0 "[ . 1]" 1 2665 2 32 CYS HB2 2 33 ALA MB 3.834 3.404 4.264 3.892 3.803 3.943 . 0 0 "[ . 1]" 1 2666 1 28 LEU MD2 1 31 TYR HB2 2.660 2.231 3.089 2.953 2.886 3.027 . 0 0 "[ . 1]" 1 2667 2 28 LEU MD2 2 31 TYR HB2 2.660 2.231 3.089 2.953 2.886 3.031 . 0 0 "[ . 1]" 1 2668 1 30 VAL MG1 1 31 TYR HB2 3.706 3.115 4.297 4.401 4.367 4.418 0.121 5 0 "[ . 1]" 1 2669 2 30 VAL MG1 2 31 TYR HB2 3.706 3.115 4.297 4.400 4.363 4.417 0.120 1 0 "[ . 1]" 1 2670 1 27 ARG QD 2 48 LYS QE 2.698 . 6.000 5.316 5.212 5.564 . 0 0 "[ . 1]" 1 2671 1 48 LYS QE 2 27 ARG QD 2.698 . 6.000 5.315 5.222 5.565 . 0 0 "[ . 1]" 1 2672 1 27 ARG QD 2 51 LEU MD2 3.014 2.599 3.429 3.379 3.215 3.481 0.052 4 0 "[ . 1]" 1 2673 1 51 LEU MD2 2 27 ARG QD 3.014 2.599 3.429 3.379 3.219 3.484 0.055 4 0 "[ . 1]" 1 2674 1 17 GLY HA2 1 18 ILE MG 3.440 2.942 3.938 3.336 3.186 3.447 . 0 0 "[ . 1]" 1 2675 1 51 LEU MD2 2 27 ARG QD 3.440 2.942 3.938 3.336 3.189 3.443 . 0 0 "[ . 1]" 1 2676 1 28 LEU MD1 1 31 TYR HB3 2.080 . 6.000 3.139 3.063 3.221 . 0 0 "[ . 1]" 1 2677 2 28 LEU MD1 2 31 TYR HB3 2.080 . 6.000 3.140 3.062 3.223 . 0 0 "[ . 1]" 1 2678 1 28 LEU MD1 1 31 TYR HB3 1.724 . 6.000 2.386 2.374 2.395 . 0 0 "[ . 1]" 1 2679 2 28 LEU MD1 2 31 TYR HB3 1.724 . 6.000 2.387 2.373 2.398 . 0 0 "[ . 1]" 1 2680 1 43 ILE HA 1 43 ILE MD 2.074 . 2.453 2.289 2.278 2.296 . 0 0 "[ . 1]" 1 2681 2 43 ILE HA 2 43 ILE MD 2.074 . 2.453 2.289 2.275 2.298 . 0 0 "[ . 1]" 1 2682 1 31 TYR HB3 2 51 LEU MD2 2.063 . 6.000 3.094 3.044 3.172 . 0 0 "[ . 1]" 1 2683 1 47 ILE MD 2 43 ILE HA 2.063 . 6.000 3.094 3.046 3.171 . 0 0 "[ . 1]" 1 2684 1 28 LEU MD2 1 31 TYR HB3 1.495 . 1.719 1.762 1.741 1.779 0.060 1 0 "[ . 1]" 1 2685 2 28 LEU MD2 2 31 TYR HB3 1.495 . 1.719 1.762 1.739 1.778 0.059 1 0 "[ . 1]" 1 2686 1 16 PHE HB2 1 18 ILE MD 3.380 . 6.000 4.029 3.910 4.156 . 0 0 "[ . 1]" 1 2687 1 18 ILE MD 2 16 PHE HB2 3.380 . 6.000 4.029 3.916 4.160 . 0 0 "[ . 1]" 1 2688 1 29 LYS QE 1 33 ALA MB 2.567 . 6.000 2.142 2.059 2.365 . 0 0 "[ . 1]" 1 2689 2 29 LYS QE 2 33 ALA MB 2.567 . 6.000 2.142 2.062 2.366 . 0 0 "[ . 1]" 1 2690 1 29 LYS QE 1 30 VAL MG1 3.051 . 6.000 4.020 3.636 4.381 . 0 0 "[ . 1]" 1 2691 2 29 LYS QE 2 30 VAL MG1 3.051 . 6.000 4.018 3.637 4.382 . 0 0 "[ . 1]" 1 2692 1 48 LYS QE 2 27 ARG HB2 3.835 . 6.000 2.656 1.677 3.605 . 0 0 "[ . 1]" 1 2693 1 27 ARG HB2 2 48 LYS QE 3.835 . 6.000 2.660 1.668 3.605 . 0 0 "[ . 1]" 1 2694 1 29 LYS QD 1 29 LYS QE 1.939 . 2.129 1.699 1.670 1.732 0.079 3 0 "[ . 1]" 1 2695 2 29 LYS QD 2 29 LYS QE 1.939 . 2.129 1.699 1.671 1.732 0.078 3 0 "[ . 1]" 1 2696 1 48 LYS HB3 1 48 LYS QE 2.845 . 6.000 3.417 3.375 3.490 . 0 0 "[ . 1]" 1 2697 1 27 ARG HG2 2 48 LYS QE 2.845 . 6.000 3.418 3.384 3.492 . 0 0 "[ . 1]" 1 2698 1 53 LYS HB2 1 53 LYS QE 2.999 2.712 3.286 3.175 2.815 3.430 0.144 8 0 "[ . 1]" 1 2699 1 53 LYS HB2 2 53 LYS QE 2.999 2.712 3.286 3.174 2.812 3.435 0.149 8 0 "[ . 1]" 1 2700 1 16 PHE HB3 1 40 THR MG 2.507 . 6.000 5.328 5.282 5.423 . 0 0 "[ . 1]" 1 2701 1 40 THR MG 2 16 PHE HB3 2.507 . 6.000 5.327 5.275 5.430 . 0 0 "[ . 1]" 1 2702 1 11 LYS QG 1 13 LYS QE 3.098 . 6.000 4.578 4.322 4.836 . 0 0 "[ . 1]" 1 2703 1 25 LYS HD3 2 16 PHE HB3 3.098 . 6.000 4.575 4.323 4.836 . 0 0 "[ . 1]" 1 2704 1 20 MET HG3 1 21 ASP HB2 5.472 4.606 6.338 4.953 4.554 5.137 0.052 8 0 "[ . 1]" 1 2705 2 20 MET HG3 2 21 ASP HB2 5.472 4.606 6.338 4.950 4.554 5.135 0.052 8 0 "[ . 1]" 1 2706 1 21 ASP HB2 1 24 LEU HB2 3.943 . 6.000 3.307 3.059 3.512 . 0 0 "[ . 1]" 1 2707 2 21 ASP HB2 2 24 LEU HB2 3.943 . 6.000 3.307 3.058 3.509 . 0 0 "[ . 1]" 1 2708 1 19 TYR HB3 2 14 ALA MB 4.429 3.973 4.885 4.198 4.142 4.252 . 0 0 "[ . 1]" 1 2709 1 14 ALA MB 2 19 TYR HB3 4.429 3.973 4.885 4.199 4.144 4.250 . 0 0 "[ . 1]" 1 2710 1 25 LYS HE2 1 39 LEU MD2 3.802 3.072 4.532 4.563 4.482 4.602 0.070 9 0 "[ . 1]" 1 2711 2 25 LYS HE2 2 39 LEU MD2 3.802 3.072 4.532 4.562 4.482 4.603 0.071 9 0 "[ . 1]" 1 2712 1 21 ASP HB3 1 22 LYS QB 3.888 3.526 4.250 3.512 3.436 3.649 0.090 1 0 "[ . 1]" 1 2713 2 21 ASP HB3 2 22 LYS QB 3.888 3.526 4.250 3.510 3.436 3.646 0.090 1 0 "[ . 1]" 1 2714 1 21 ASP HB3 1 24 LEU HB3 2.779 2.431 3.127 2.434 2.347 2.793 0.084 1 0 "[ . 1]" 1 2715 1 20 MET ME 2 44 GLU HG2 2.779 2.431 3.127 2.433 2.355 2.793 0.076 1 0 "[ . 1]" 1 2716 1 21 ASP HB3 1 24 LEU HB3 3.302 2.987 3.617 3.043 2.949 3.216 0.038 3 0 "[ . 1]" 1 2717 1 24 LEU HG 2 44 GLU HG2 3.302 2.987 3.617 3.038 2.952 3.200 0.035 3 0 "[ . 1]" 1 2718 1 20 MET HG2 2 14 ALA MB 2.915 2.571 3.259 2.898 2.883 2.934 . 0 0 "[ . 1]" 1 2719 1 14 ALA MB 2 20 MET HG2 2.915 2.571 3.259 2.899 2.882 2.936 . 0 0 "[ . 1]" 1 2720 1 18 ILE MD 1 20 MET HG2 3.159 2.857 3.461 3.446 3.365 3.486 0.025 10 0 "[ . 1]" 1 2721 2 18 ILE MD 2 20 MET HG2 3.159 2.857 3.461 3.446 3.363 3.490 0.029 10 0 "[ . 1]" 1 2722 1 22 LYS QG 1 25 LYS HE2 3.351 . 6.000 4.385 4.237 4.532 . 0 0 "[ . 1]" 1 2723 2 22 LYS QG 2 25 LYS HE2 3.351 . 6.000 4.385 4.243 4.530 . 0 0 "[ . 1]" 1 2724 1 20 MET ME 1 25 LYS HE2 4.193 3.805 4.581 4.518 3.966 4.678 0.097 9 0 "[ . 1]" 1 2725 2 20 MET ME 2 25 LYS HE2 4.193 3.805 4.581 4.518 3.968 4.675 0.094 9 0 "[ . 1]" 1 2726 1 22 LYS QG 1 25 LYS HE3 3.683 . 6.000 4.456 4.297 4.567 . 0 0 "[ . 1]" 1 2727 2 22 LYS QG 2 25 LYS HE3 3.683 . 6.000 4.457 4.303 4.567 . 0 0 "[ . 1]" 1 2728 1 38 GLN QB 1 41 GLN HB3 2.125 . 2.333 2.162 2.019 2.252 . 0 0 "[ . 1]" 1 2729 2 38 GLN QB 2 41 GLN HB3 2.125 . 2.333 2.162 2.022 2.250 . 0 0 "[ . 1]" 1 2730 1 24 LEU QD 1 28 LEU HB2 2.005 . 2.289 2.377 2.353 2.405 0.116 2 0 "[ . 1]" 1 2731 1 47 ILE HG13 2 28 LEU HB2 2.005 . 2.289 2.375 2.350 2.400 0.111 2 0 "[ . 1]" 1 2732 1 28 LEU HB2 1 28 LEU MD1 2.120 . 6.000 3.049 3.027 3.059 . 0 0 "[ . 1]" 1 2733 1 47 ILE MG 2 28 LEU HB2 2.120 . 6.000 3.048 3.029 3.058 . 0 0 "[ . 1]" 1 2734 1 40 THR MG 1 44 GLU HG3 1.977 . 2.223 2.027 2.008 2.048 . 0 0 "[ . 1]" 1 2735 2 40 THR MG 2 44 GLU HG3 1.977 . 2.223 2.027 2.008 2.045 . 0 0 "[ . 1]" 1 2736 1 47 ILE HB 1 47 ILE HG13 1.978 . 2.225 2.245 2.208 2.287 0.062 8 0 "[ . 1]" 1 2737 1 24 LEU QD 2 47 ILE HB 1.978 . 2.225 2.245 2.209 2.288 0.063 8 0 "[ . 1]" 1 2738 1 43 ILE MG 1 44 GLU HG3 1.895 . 6.000 2.733 2.681 2.769 . 0 0 "[ . 1]" 1 2739 2 43 ILE MG 2 44 GLU HG3 1.895 . 6.000 2.734 2.685 2.767 . 0 0 "[ . 1]" 1 2740 1 43 ILE MG 1 44 GLU HG3 1.867 . 6.000 2.627 2.593 2.656 . 0 0 "[ . 1]" 1 2741 1 18 ILE MD 2 44 GLU HG3 1.867 . 6.000 2.629 2.596 2.657 . 0 0 "[ . 1]" 1 2742 1 27 ARG HB3 1 27 ARG HG2 1.965 . 2.153 2.165 2.117 2.206 0.053 6 0 "[ . 1]" 1 2743 1 20 MET HB3 2 44 GLU HG3 1.965 . 2.153 2.166 2.118 2.205 0.052 6 0 "[ . 1]" 1 2744 1 18 ILE HG12 1 20 MET HB3 3.853 3.417 4.289 4.285 4.241 4.314 0.025 7 0 "[ . 1]" 1 2745 1 18 ILE HG12 2 43 ILE HB 3.853 3.417 4.289 4.283 4.238 4.308 0.019 7 0 "[ . 1]" 1 2746 1 20 MET HB3 2 40 THR MG 2.536 2.098 2.974 2.656 2.470 2.809 . 0 0 "[ . 1]" 1 2747 1 40 THR MG 2 20 MET HB3 2.536 2.098 2.974 2.656 2.478 2.789 . 0 0 "[ . 1]" 1 2748 1 43 ILE HB 1 43 ILE MG 1.471 . 1.742 1.839 1.833 1.847 0.105 4 0 "[ . 1]" 1 2749 1 18 ILE MD 2 43 ILE HB 1.471 . 1.742 1.839 1.834 1.847 0.105 4 0 "[ . 1]" 1 2750 1 48 LYS HB2 1 48 LYS QG 2.086 . 2.296 1.921 1.884 1.936 . 0 0 "[ . 1]" 1 2751 2 48 LYS HB2 2 48 LYS QG 2.086 . 2.296 1.922 1.883 1.938 . 0 0 "[ . 1]" 1 2752 1 24 LEU HB3 1 24 LEU QD 1.487 . 1.762 1.750 1.731 1.761 . 0 0 "[ . 1]" 1 2753 2 24 LEU HB3 2 24 LEU QD 1.487 . 1.762 1.750 1.730 1.761 . 0 0 "[ . 1]" 1 2754 1 18 ILE HB 1 18 ILE HG12 2.618 2.342 2.894 2.681 2.675 2.687 . 0 0 "[ . 1]" 1 2755 2 18 ILE HB 2 18 ILE HG12 2.618 2.342 2.894 2.681 2.677 2.687 . 0 0 "[ . 1]" 1 2756 1 28 LEU MD2 1 42 ALA MB 1.921 . 2.380 1.700 1.618 1.807 . 0 0 "[ . 1]" 1 2757 2 28 LEU MD2 2 42 ALA MB 1.921 . 2.380 1.701 1.619 1.807 . 0 0 "[ . 1]" 1 2758 1 14 ALA MB 1 15 VAL MG2 2.854 2.375 3.333 3.120 3.095 3.153 . 0 0 "[ . 1]" 1 2759 1 51 LEU MD2 2 28 LEU HB3 2.854 2.375 3.333 3.119 3.096 3.147 . 0 0 "[ . 1]" 1 2760 1 40 THR MG 2 18 ILE MD 1.948 . 2.384 1.547 1.506 1.585 0.006 4 0 "[ . 1]" 1 2761 1 18 ILE MD 2 40 THR MG 1.948 . 2.384 1.545 1.502 1.584 0.010 4 0 "[ . 1]" 1 2762 1 28 LEU MD1 2 47 ILE MD 1.033 . 6.000 1.858 1.776 1.903 . 0 0 "[ . 1]" 1 2763 1 47 ILE MD 2 28 LEU MD1 1.033 . 6.000 1.858 1.775 1.912 . 0 0 "[ . 1]" 1 2764 1 47 ILE HG12 1 50 TYR QE 3.906 3.275 4.537 4.646 4.533 4.839 0.302 1 0 "[ . 1]" 1 2765 1 48 LYS HB2 2 50 TYR QE 3.906 3.275 4.537 4.646 4.535 4.838 0.301 1 0 "[ . 1]" 1 2766 1 50 TYR QE 1 51 LEU HG 3.603 . 6.000 5.426 5.333 5.532 . 0 0 "[ . 1]" 1 2767 1 35 ASN HB3 2 50 TYR QE 3.603 . 6.000 5.427 5.334 5.530 . 0 0 "[ . 1]" 1 2768 1 50 TYR QB 1 50 TYR QE 3.243 2.850 3.636 3.705 3.674 3.727 0.091 8 0 "[ . 1]" 1 2769 1 31 TYR HB3 2 50 TYR QE 3.243 2.850 3.636 3.706 3.675 3.727 0.091 8 0 "[ . 1]" 1 2770 1 47 ILE HA 1 50 TYR QE 3.635 . 6.000 4.438 4.395 4.502 . 0 0 "[ . 1]" 1 2771 2 47 ILE HA 2 50 TYR QE 3.635 . 6.000 4.438 4.396 4.500 . 0 0 "[ . 1]" 1 2772 1 50 TYR HA 1 50 TYR QE 4.247 3.711 4.783 4.478 4.378 4.565 . 0 0 "[ . 1]" 1 2773 2 50 TYR HA 2 50 TYR QE 4.247 3.711 4.783 4.477 4.382 4.565 . 0 0 "[ . 1]" 1 2774 1 50 TYR QD 2 42 ALA HA 4.345 3.718 4.972 4.849 4.739 4.946 . 0 0 "[ . 1]" 1 2775 1 42 ALA HA 2 50 TYR QD 4.345 3.718 4.972 4.852 4.741 4.953 . 0 0 "[ . 1]" 1 2776 1 19 TYR HB2 1 19 TYR QE 3.989 3.433 4.545 4.114 3.843 4.246 . 0 0 "[ . 1]" 1 2777 1 13 LYS QE 2 19 TYR QE 3.989 3.433 4.545 4.115 3.850 4.247 . 0 0 "[ . 1]" 1 2778 1 47 ILE HB 1 50 TYR QD 4.762 4.078 5.446 4.776 4.676 4.859 . 0 0 "[ . 1]" 1 2779 1 48 LYS HB3 2 50 TYR QD 4.762 4.078 5.446 4.776 4.680 4.863 . 0 0 "[ . 1]" 1 2780 1 47 ILE HG12 1 50 TYR QD 3.327 2.831 3.823 3.413 3.319 3.481 . 0 0 "[ . 1]" 1 2781 2 47 ILE HG12 2 50 TYR QD 3.327 2.831 3.823 3.412 3.318 3.481 . 0 0 "[ . 1]" 1 2782 1 19 TYR QE 2 13 LYS QB 3.820 . 6.000 5.955 5.864 6.069 0.069 9 0 "[ . 1]" 1 2783 1 13 LYS QB 2 19 TYR QE 3.820 . 6.000 5.952 5.859 6.060 0.060 9 0 "[ . 1]" 1 2784 1 50 TYR QD 1 51 LEU HB2 3.748 3.153 4.343 3.760 3.611 3.901 . 0 0 "[ . 1]" 1 2785 2 50 TYR QD 2 51 LEU HB2 3.748 3.153 4.343 3.759 3.609 3.904 . 0 0 "[ . 1]" 1 2786 1 19 TYR QD 2 40 THR HB 5.621 4.846 6.396 5.426 4.884 5.921 . 0 0 "[ . 1]" 1 2787 1 40 THR HB 2 19 TYR QD 5.621 4.846 6.396 5.427 4.894 5.930 . 0 0 "[ . 1]" 1 2788 1 31 TYR QE 1 32 CYS HA 3.798 . 6.000 4.753 4.622 4.926 . 0 0 "[ . 1]" 1 2789 2 31 TYR QE 2 32 CYS HA 3.798 . 6.000 4.753 4.624 4.925 . 0 0 "[ . 1]" 1 2790 1 28 LEU HA 1 31 TYR QE 5.842 . 6.000 4.524 4.483 4.570 . 0 0 "[ . 1]" 1 2791 2 28 LEU HA 2 31 TYR QE 5.842 . 6.000 4.526 4.492 4.568 . 0 0 "[ . 1]" 1 2792 1 31 TYR QE 2 56 GLY HA2 4.530 3.946 5.114 4.950 4.836 5.084 . 0 0 "[ . 1]" 1 2793 1 56 GLY HA2 2 31 TYR QE 4.530 3.946 5.114 4.947 4.829 5.107 . 0 0 "[ . 1]" 1 2794 1 31 TYR HA 1 31 TYR QE 4.420 . 6.000 3.470 3.283 3.678 . 0 0 "[ . 1]" 1 2795 2 31 TYR HA 2 31 TYR QE 4.420 . 6.000 3.470 3.289 3.677 . 0 0 "[ . 1]" 1 2796 1 31 TYR QE 2 51 LEU HA 4.636 3.981 5.291 5.125 5.012 5.259 . 0 0 "[ . 1]" 1 2797 1 51 LEU HA 2 31 TYR QE 4.636 3.981 5.291 5.124 5.015 5.261 . 0 0 "[ . 1]" 1 2798 1 31 TYR QE 1 32 CYS HB3 5.145 4.152 6.138 4.918 4.272 5.513 . 0 0 "[ . 1]" 1 2799 1 34 LYS QE 2 55 ASN HD21 5.145 4.152 6.138 4.915 4.263 5.502 . 0 0 "[ . 1]" 1 2800 1 31 TYR QE 2 50 TYR QB 4.306 . 6.000 5.346 5.271 5.425 . 0 0 "[ . 1]" 1 2801 1 50 TYR QB 2 31 TYR QE 4.306 . 6.000 5.345 5.270 5.435 . 0 0 "[ . 1]" 1 2802 1 31 TYR QE 1 35 ASN HB3 5.266 . 6.000 4.255 4.214 4.325 . 0 0 "[ . 1]" 1 2803 1 51 LEU HG 2 31 TYR QE 5.266 . 6.000 4.254 4.214 4.324 . 0 0 "[ . 1]" 1 2804 1 28 LEU HG 1 31 TYR QE 5.884 . 6.000 3.374 2.644 3.716 . 0 0 "[ . 1]" 1 2805 2 28 LEU HG 2 31 TYR QE 5.884 . 6.000 3.372 2.652 3.723 . 0 0 "[ . 1]" 1 2806 1 31 TYR QE 1 37 LEU HB2 3.851 3.315 4.387 3.971 3.775 4.253 . 0 0 "[ . 1]" 1 2807 2 31 TYR QE 2 37 LEU HB2 3.851 3.315 4.387 3.970 3.780 4.250 . 0 0 "[ . 1]" 1 2808 1 31 TYR QE 2 54 ARG HG3 3.921 3.434 4.408 3.314 3.280 3.370 0.154 3 0 "[ . 1]" 1 2809 1 54 ARG HG3 2 31 TYR QE 3.921 3.434 4.408 3.316 3.283 3.369 0.151 9 0 "[ . 1]" 1 2810 1 28 LEU MD1 1 31 TYR QE 3.818 3.026 4.610 4.603 4.443 4.672 0.062 8 0 "[ . 1]" 1 2811 2 28 LEU MD1 2 31 TYR QE 3.818 3.026 4.610 4.605 4.444 4.677 0.067 8 0 "[ . 1]" 1 2812 1 16 PHE QR 1 17 GLY HA3 5.541 4.816 6.266 5.016 4.999 5.027 . 0 0 "[ . 1]" 1 2813 1 17 GLY HA3 2 16 PHE QR 5.541 4.816 6.266 5.017 5.001 5.028 . 0 0 "[ . 1]" 1 2814 1 31 TYR QD 1 32 CYS HB3 4.460 3.976 4.944 4.312 4.171 4.545 . 0 0 "[ . 1]" 1 2815 2 31 TYR QD 2 32 CYS HB3 4.460 3.976 4.944 4.312 4.172 4.545 . 0 0 "[ . 1]" 1 2816 1 16 PHE QR 1 17 GLY HA2 4.132 3.605 4.659 4.035 4.000 4.079 . 0 0 "[ . 1]" 1 2817 1 17 GLY HA2 2 16 PHE QR 4.132 3.605 4.659 4.034 4.002 4.078 . 0 0 "[ . 1]" 1 2818 1 30 VAL HB 1 31 TYR QD 4.345 3.798 4.892 4.821 4.721 4.891 . 0 0 "[ . 1]" 1 2819 1 54 ARG HB2 2 31 TYR QD 4.345 3.798 4.892 4.821 4.722 4.890 . 0 0 "[ . 1]" 1 2820 1 28 LEU HB2 1 31 TYR QD 4.992 4.267 5.717 4.908 4.808 4.995 . 0 0 "[ . 1]" 1 2821 1 54 ARG HB2 2 31 TYR QD 4.992 4.267 5.717 4.908 4.811 4.998 . 0 0 "[ . 1]" 1 2822 1 20 MET ME 1 31 TYR QD 4.640 . 6.000 5.851 5.755 5.913 . 0 0 "[ . 1]" 1 2823 1 47 ILE HG12 2 31 TYR QD 4.640 . 6.000 5.851 5.753 5.910 . 0 0 "[ . 1]" 1 2824 1 31 TYR QD 1 37 LEU HB2 3.903 3.359 4.447 3.538 3.491 3.617 . 0 0 "[ . 1]" 1 2825 2 31 TYR QD 2 37 LEU HB2 3.903 3.359 4.447 3.537 3.491 3.614 . 0 0 "[ . 1]" 1 2826 1 30 VAL MG2 1 31 TYR QD 4.598 3.974 5.222 4.869 4.794 4.917 . 0 0 "[ . 1]" 1 2827 1 51 LEU HB3 2 31 TYR QD 4.598 3.974 5.222 4.870 4.797 4.919 . 0 0 "[ . 1]" 1 2828 1 16 PHE QR 2 27 ARG HB2 5.350 4.379 6.321 6.351 6.295 6.413 0.092 10 0 "[ . 1]" 1 2829 1 27 ARG HB2 2 16 PHE QR 5.350 4.379 6.321 6.350 6.298 6.412 0.091 10 0 "[ . 1]" 1 2830 1 50 TYR QE 2 38 GLN QB 4.902 4.109 5.695 5.569 5.482 5.675 . 0 0 "[ . 1]" 1 2831 1 38 GLN QB 2 50 TYR QE 4.902 4.109 5.695 5.570 5.478 5.660 . 0 0 "[ . 1]" 1 2832 1 31 TYR QD 1 45 GLU HG2 6.079 5.159 6.999 6.471 6.353 6.707 . 0 0 "[ . 1]" 1 2833 1 54 ARG HD2 2 31 TYR QD 6.079 5.159 6.999 6.471 6.343 6.701 . 0 0 "[ . 1]" 1 2834 1 50 TYR QE 1 51 LEU HB2 4.595 3.725 5.465 4.887 4.753 5.018 . 0 0 "[ . 1]" 1 2835 2 50 TYR QE 2 51 LEU HB2 4.595 3.725 5.465 4.887 4.756 5.016 . 0 0 "[ . 1]" 1 2836 1 28 LEU HG 1 31 TYR QD 5.642 . 6.000 3.527 3.169 3.920 . 0 0 "[ . 1]" 1 2837 2 28 LEU HG 2 31 TYR QD 5.642 . 6.000 3.528 3.173 3.922 . 0 0 "[ . 1]" 1 2838 1 31 TYR QE 1 34 LYS QB 5.503 . 6.000 4.306 4.113 4.490 . 0 0 "[ . 1]" 1 2839 1 34 LYS QB 2 55 ASN HD21 5.503 . 6.000 4.308 4.114 4.490 . 0 0 "[ . 1]" 1 2840 1 31 TYR QE 1 35 ASN HB3 4.157 3.669 4.645 4.388 4.331 4.470 . 0 0 "[ . 1]" 1 2841 1 20 MET HB3 2 41 GLN H 4.157 3.669 4.645 4.387 4.331 4.468 . 0 0 "[ . 1]" 1 2842 1 47 ILE MD 1 50 TYR QE 4.640 3.754 5.526 3.965 3.789 4.035 . 0 0 "[ . 1]" 1 2843 2 47 ILE MD 2 50 TYR QE 4.640 3.754 5.526 3.965 3.793 4.034 . 0 0 "[ . 1]" 1 2844 1 50 TYR QE 2 43 ILE MD 3.034 . 6.000 5.105 4.947 5.176 . 0 0 "[ . 1]" 1 2845 1 43 ILE MD 2 50 TYR QE 3.034 . 6.000 5.108 4.959 5.185 . 0 0 "[ . 1]" 1 2846 1 31 TYR QD 2 51 LEU MD2 3.291 . 6.000 4.070 3.944 4.147 . 0 0 "[ . 1]" 1 2847 1 51 LEU MD2 2 31 TYR QD 3.291 . 6.000 4.070 3.950 4.148 . 0 0 "[ . 1]" 1 2848 1 43 ILE MG 1 50 TYR QD 4.113 . 6.000 6.085 6.064 6.122 0.122 8 0 "[ . 1]" 1 2849 1 43 ILE MG 2 50 TYR QD 4.113 . 6.000 6.086 6.068 6.127 0.127 8 0 "[ . 1]" 1 2850 1 19 TYR HA 2 13 LYS HA 4.848 4.198 5.498 4.793 4.707 4.915 . 0 0 "[ . 1]" 1 2851 1 13 LYS HA 2 19 TYR HA 4.848 4.198 5.498 4.794 4.704 4.922 . 0 0 "[ . 1]" 1 2852 1 13 LYS HA 2 22 LYS HA 4.578 3.949 5.207 4.521 4.297 4.668 . 0 0 "[ . 1]" 1 2853 1 22 LYS HA 2 13 LYS HA 4.578 3.949 5.207 4.520 4.277 4.667 . 0 0 "[ . 1]" 1 2854 1 23 ASP HA 1 26 THR HA 4.891 4.396 5.386 5.212 5.127 5.275 . 0 0 "[ . 1]" 1 2855 2 23 ASP HA 2 26 THR HA 4.891 4.396 5.386 5.214 5.125 5.271 . 0 0 "[ . 1]" 1 2856 1 21 ASP HA 1 22 LYS HA 4.084 3.625 4.543 3.988 3.969 4.008 . 0 0 "[ . 1]" 1 2857 2 21 ASP HA 2 22 LYS HA 4.084 3.625 4.543 3.990 3.972 4.009 . 0 0 "[ . 1]" 1 2858 1 24 LEU HA 1 26 THR HB 4.599 4.031 5.167 4.240 3.991 4.499 0.040 3 0 "[ . 1]" 1 2859 1 31 TYR HA 2 56 GLY HA2 4.599 4.031 5.167 4.242 3.987 4.485 0.044 3 0 "[ . 1]" 1 2860 1 27 ARG HA 1 28 LEU HA 4.423 3.929 4.917 4.165 4.134 4.180 . 0 0 "[ . 1]" 1 2861 2 27 ARG HA 2 28 LEU HA 4.423 3.929 4.917 4.164 4.132 4.179 . 0 0 "[ . 1]" 1 2862 1 38 GLN HA 1 40 THR HB 4.701 4.130 5.272 4.594 4.538 4.650 . 0 0 "[ . 1]" 1 2863 2 38 GLN HA 2 40 THR HB 4.701 4.130 5.272 4.595 4.539 4.649 . 0 0 "[ . 1]" 1 2864 1 25 LYS HA 1 28 LEU HA 5.733 4.778 6.688 5.539 5.504 5.611 . 0 0 "[ . 1]" 1 2865 2 25 LYS HA 2 28 LEU HA 5.733 4.778 6.688 5.538 5.501 5.611 . 0 0 "[ . 1]" 1 2866 1 18 ILE HB 1 19 TYR HA 4.201 3.695 4.707 4.093 3.866 4.222 . 0 0 "[ . 1]" 1 2867 1 13 LYS QD 2 19 TYR HA 4.201 3.695 4.707 4.094 3.866 4.220 . 0 0 "[ . 1]" 1 2868 1 19 TYR HA 1 25 LYS HD3 4.275 3.725 4.825 4.615 4.581 4.637 . 0 0 "[ . 1]" 1 2869 1 14 ALA MB 2 19 TYR HA 4.275 3.725 4.825 4.615 4.580 4.639 . 0 0 "[ . 1]" 1 2870 1 33 ALA MB 1 35 ASN HA 4.821 4.298 5.344 5.024 4.980 5.115 . 0 0 "[ . 1]" 1 2871 2 33 ALA MB 2 35 ASN HA 4.821 4.298 5.344 5.023 4.977 5.107 . 0 0 "[ . 1]" 1 2872 1 13 LYS QD 2 19 TYR HA 5.283 . 6.000 4.094 3.863 4.223 . 0 0 "[ . 1]" 1 2873 1 19 TYR HA 2 13 LYS QD 5.283 . 6.000 4.094 3.869 4.218 . 0 0 "[ . 1]" 1 2874 1 14 ALA MB 2 19 TYR HA 4.314 3.755 4.873 4.615 4.579 4.639 . 0 0 "[ . 1]" 1 2875 1 19 TYR HA 2 14 ALA MB 4.314 3.755 4.873 4.615 4.582 4.637 . 0 0 "[ . 1]" 1 2876 1 20 MET HG3 2 16 PHE HA 5.757 5.183 6.331 5.258 5.139 5.369 0.044 10 0 "[ . 1]" 1 2877 1 16 PHE HA 2 20 MET HG3 5.757 5.183 6.331 5.259 5.137 5.369 0.046 10 0 "[ . 1]" 1 2878 1 14 ALA MB 1 16 PHE HA 5.676 . 6.000 4.520 4.491 4.591 . 0 0 "[ . 1]" 1 2879 1 16 PHE HA 2 25 LYS HD3 5.676 . 6.000 4.522 4.490 4.592 . 0 0 "[ . 1]" 1 2880 1 15 VAL MG2 1 16 PHE HA 3.709 3.027 4.391 3.949 3.913 3.994 . 0 0 "[ . 1]" 1 2881 2 15 VAL MG2 2 16 PHE HA 3.709 3.027 4.391 3.949 3.914 3.996 . 0 0 "[ . 1]" 1 2882 1 16 PHE HA 1 18 ILE MD 4.779 3.859 5.699 5.226 5.176 5.249 . 0 0 "[ . 1]" 1 2883 1 16 PHE HA 2 18 ILE MD 4.779 3.859 5.699 5.227 5.176 5.249 . 0 0 "[ . 1]" 1 2884 1 20 MET HA 1 25 LYS HG3 5.072 4.348 5.796 5.278 5.113 5.349 . 0 0 "[ . 1]" 1 2885 2 20 MET HA 2 25 LYS HG3 5.072 4.348 5.796 5.278 5.121 5.345 . 0 0 "[ . 1]" 1 2886 1 35 ASN HA 1 37 LEU HB3 6.904 6.129 7.679 6.540 6.517 6.572 . 0 0 "[ . 1]" 1 2887 2 35 ASN HA 2 37 LEU HB3 6.904 6.129 7.679 6.539 6.516 6.572 . 0 0 "[ . 1]" 1 2888 1 13 LYS QD 2 19 TYR HA 5.619 . 6.000 4.627 4.165 4.851 . 0 0 "[ . 1]" 1 2889 1 19 TYR HA 2 13 LYS QD 5.619 . 6.000 4.626 4.171 4.847 . 0 0 "[ . 1]" 1 2890 1 14 ALA HA 1 15 VAL HB 4.468 3.897 5.039 4.294 4.022 4.462 . 0 0 "[ . 1]" 1 2891 1 22 LYS QB 2 14 ALA HA 4.468 3.897 5.039 4.294 4.018 4.461 . 0 0 "[ . 1]" 1 2892 1 13 LYS QE 1 14 ALA HA 4.608 . 6.000 5.500 5.045 5.748 . 0 0 "[ . 1]" 1 2893 1 19 TYR HB2 2 14 ALA HA 4.608 . 6.000 5.498 5.034 5.744 . 0 0 "[ . 1]" 1 2894 1 24 LEU HA 2 48 LYS HA 4.223 3.697 4.749 4.400 4.354 4.475 . 0 0 "[ . 1]" 1 2895 1 48 LYS HA 2 24 LEU HA 4.223 3.697 4.749 4.399 4.350 4.473 . 0 0 "[ . 1]" 1 2896 1 27 ARG HA 1 30 VAL HA 4.102 3.568 4.636 4.494 4.434 4.589 . 0 0 "[ . 1]" 1 2897 2 27 ARG HA 2 30 VAL HA 4.102 3.568 4.636 4.494 4.431 4.591 . 0 0 "[ . 1]" 1 2898 1 29 LYS HA 1 33 ALA HA 5.118 . 6.000 4.573 4.548 4.617 . 0 0 "[ . 1]" 1 2899 2 29 LYS HA 2 33 ALA HA 5.118 . 6.000 4.574 4.553 4.619 . 0 0 "[ . 1]" 1 2900 1 41 GLN HA 1 42 ALA HA 4.297 3.741 4.853 4.225 4.205 4.251 . 0 0 "[ . 1]" 1 2901 2 41 GLN HA 2 42 ALA HA 4.297 3.741 4.853 4.225 4.206 4.251 . 0 0 "[ . 1]" 1 2902 1 33 ALA HA 1 38 GLN HA 5.965 5.309 6.621 6.274 6.126 6.369 . 0 0 "[ . 1]" 1 2903 2 33 ALA HA 2 38 GLN HA 5.965 5.309 6.621 6.275 6.126 6.371 . 0 0 "[ . 1]" 1 2904 1 23 ASP HB2 1 26 THR HB 4.899 4.414 5.384 4.650 4.578 4.705 . 0 0 "[ . 1]" 1 2905 2 23 ASP HB2 2 26 THR HB 4.899 4.414 5.384 4.652 4.577 4.703 . 0 0 "[ . 1]" 1 2906 1 33 ALA HA 1 36 ASN HB3 4.974 4.378 5.570 4.588 4.484 4.642 . 0 0 "[ . 1]" 1 2907 2 33 ALA HA 2 36 ASN HB3 4.974 4.378 5.570 4.587 4.475 4.647 . 0 0 "[ . 1]" 1 2908 1 40 THR HB 2 19 TYR HB2 4.607 3.909 5.305 4.527 4.497 4.575 . 0 0 "[ . 1]" 1 2909 1 19 TYR HB2 2 40 THR HB 4.607 3.909 5.305 4.530 4.492 4.577 . 0 0 "[ . 1]" 1 2910 1 50 TYR HA 1 53 LYS QE 5.597 . 6.000 4.240 2.822 4.983 . 0 0 "[ . 1]" 1 2911 1 53 LYS QE 2 50 TYR HA 5.597 . 6.000 4.241 2.823 4.979 . 0 0 "[ . 1]" 1 2912 1 23 ASP HB2 1 24 LEU HA 5.172 4.538 5.806 5.364 5.329 5.419 . 0 0 "[ . 1]" 1 2913 2 23 ASP HB2 2 24 LEU HA 5.172 4.538 5.806 5.365 5.322 5.421 . 0 0 "[ . 1]" 1 2914 1 31 TYR HA 2 56 GLY HA3 4.335 3.835 4.835 4.737 4.449 4.920 0.085 1 0 "[ . 1]" 1 2915 1 56 GLY HA3 2 31 TYR HA 4.335 3.835 4.835 4.736 4.450 4.916 0.081 1 0 "[ . 1]" 1 2916 1 51 LEU HA 1 52 GLN HA 4.648 3.983 5.313 4.567 4.540 4.594 . 0 0 "[ . 1]" 1 2917 2 51 LEU HA 2 52 GLN HA 4.648 3.983 5.313 4.567 4.541 4.598 . 0 0 "[ . 1]" 1 2918 1 21 ASP HB2 1 24 LEU HA 5.158 . 6.000 4.770 4.645 4.842 . 0 0 "[ . 1]" 1 2919 2 21 ASP HB2 2 24 LEU HA 5.158 . 6.000 4.770 4.647 4.847 . 0 0 "[ . 1]" 1 2920 1 37 LEU HB2 1 38 GLN HA 4.657 4.093 5.221 4.921 4.886 4.966 . 0 0 "[ . 1]" 1 2921 2 37 LEU HB2 2 38 GLN HA 4.657 4.093 5.221 4.922 4.888 4.964 . 0 0 "[ . 1]" 1 2922 1 15 VAL HA 2 18 ILE HG12 5.673 . 6.000 5.022 4.956 5.135 . 0 0 "[ . 1]" 1 2923 1 18 ILE HG12 2 15 VAL HA 5.673 . 6.000 5.022 4.954 5.133 . 0 0 "[ . 1]" 1 2924 1 15 VAL HA 2 18 ILE HG13 3.947 3.404 4.490 4.280 4.227 4.319 . 0 0 "[ . 1]" 1 2925 1 18 ILE HG13 2 15 VAL HA 3.947 3.404 4.490 4.279 4.235 4.323 . 0 0 "[ . 1]" 1 2926 1 17 GLY HA3 1 18 ILE HG13 4.623 4.062 5.184 4.153 4.005 4.302 0.057 6 0 "[ . 1]" 1 2927 1 24 LEU QD 2 56 GLY HA2 4.623 4.062 5.184 4.154 4.006 4.305 0.056 3 0 "[ . 1]" 1 2928 1 26 THR HB 1 30 VAL MG2 3.916 3.445 4.387 3.347 3.294 3.435 0.151 3 0 "[ . 1]" 1 2929 2 26 THR HB 2 30 VAL MG2 3.916 3.445 4.387 3.349 3.292 3.433 0.153 3 0 "[ . 1]" 1 2930 1 50 TYR HA 1 53 LYS QD 3.619 3.220 4.018 3.616 3.275 4.064 0.046 2 0 "[ . 1]" 1 2931 1 53 LYS QD 2 50 TYR HA 3.619 3.220 4.018 3.617 3.280 4.062 0.044 2 0 "[ . 1]" 1 2932 1 50 TYR HA 1 51 LEU MD1 3.801 . 6.000 4.748 4.689 4.821 . 0 0 "[ . 1]" 1 2933 2 50 TYR HA 2 51 LEU MD1 3.801 . 6.000 4.748 4.686 4.820 . 0 0 "[ . 1]" 1 2934 1 28 LEU MD1 1 40 THR HB 3.887 . 6.000 5.150 5.129 5.180 . 0 0 "[ . 1]" 1 2935 1 47 ILE MG 2 50 TYR HA 3.887 . 6.000 5.152 5.128 5.186 . 0 0 "[ . 1]" 1 2936 1 28 LEU MD1 1 40 THR HB 3.953 . 6.000 5.272 5.232 5.303 . 0 0 "[ . 1]" 1 2937 1 47 ILE MG 2 50 TYR HA 3.953 . 6.000 5.272 5.232 5.305 . 0 0 "[ . 1]" 1 2938 1 29 LYS HA 1 31 TYR HB3 2.891 . 6.000 3.910 3.877 3.942 . 0 0 "[ . 1]" 1 2939 2 29 LYS HA 2 31 TYR HB3 2.891 . 6.000 3.910 3.878 3.940 . 0 0 "[ . 1]" 1 2940 1 47 ILE HA 1 48 LYS HA 4.048 3.398 4.698 4.587 4.547 4.618 . 0 0 "[ . 1]" 1 2941 2 47 ILE HA 2 48 LYS HA 4.048 3.398 4.698 4.586 4.549 4.613 . 0 0 "[ . 1]" 1 2942 1 31 TYR HA 2 56 GLY HA3 4.367 3.809 4.925 4.619 4.372 4.771 . 0 0 "[ . 1]" 1 2943 1 56 GLY HA3 2 31 TYR HA 4.367 3.809 4.925 4.619 4.373 4.768 . 0 0 "[ . 1]" 1 2944 1 21 ASP HB3 1 24 LEU HA 5.937 . 6.000 5.048 4.978 5.204 . 0 0 "[ . 1]" 1 2945 2 21 ASP HB3 2 24 LEU HA 5.937 . 6.000 5.047 4.984 5.195 . 0 0 "[ . 1]" 1 2946 1 21 ASP HB3 1 24 LEU HA 4.524 . 6.000 3.734 3.420 4.193 . 0 0 "[ . 1]" 1 2947 2 21 ASP HB3 2 24 LEU HA 4.524 . 6.000 3.729 3.432 4.190 . 0 0 "[ . 1]" 1 2948 1 25 LYS HA 1 25 LYS QB 2.224 . 2.474 2.338 2.322 2.380 . 0 0 "[ . 1]" 1 2949 2 25 LYS HA 2 25 LYS QB 2.224 . 2.474 2.339 2.322 2.381 . 0 0 "[ . 1]" 1 2950 1 26 THR HA 1 30 VAL HB 5.941 . 6.000 4.866 4.831 4.901 . 0 0 "[ . 1]" 1 2951 2 26 THR HA 2 30 VAL HB 5.941 . 6.000 4.866 4.830 4.898 . 0 0 "[ . 1]" 1 2952 1 22 LYS QB 1 25 LYS HA 4.983 4.368 5.598 4.967 4.851 5.028 . 0 0 "[ . 1]" 1 2953 1 24 LEU HB2 2 44 GLU HA 4.983 4.368 5.598 4.967 4.851 5.027 . 0 0 "[ . 1]" 1 2954 1 26 THR HA 1 27 ARG HB3 4.829 4.182 5.476 4.623 4.545 4.685 . 0 0 "[ . 1]" 1 2955 1 27 ARG HB3 2 48 LYS HA 4.829 4.182 5.476 4.623 4.541 4.685 . 0 0 "[ . 1]" 1 2956 1 20 MET ME 1 43 ILE HA 4.099 3.523 4.675 4.263 4.117 4.367 . 0 0 "[ . 1]" 1 2957 1 20 MET ME 2 43 ILE HA 4.099 3.523 4.675 4.262 4.119 4.368 . 0 0 "[ . 1]" 1 2958 1 28 LEU HB3 1 31 TYR HB3 3.557 2.981 4.133 3.419 3.391 3.474 . 0 0 "[ . 1]" 1 2959 2 28 LEU HB3 2 31 TYR HB3 3.557 2.981 4.133 3.419 3.391 3.474 . 0 0 "[ . 1]" 1 2960 1 29 LYS QG 1 32 CYS HB2 4.136 3.565 4.707 3.493 3.468 3.528 0.097 1 0 "[ . 1]" 1 2961 2 29 LYS QG 2 32 CYS HB2 4.136 3.565 4.707 3.494 3.467 3.527 0.098 1 0 "[ . 1]" 1 2962 1 43 ILE HA 1 47 ILE HB 3.820 3.198 4.442 3.506 3.412 3.589 . 0 0 "[ . 1]" 1 2963 1 47 ILE HB 2 43 ILE HA 3.820 3.198 4.442 3.504 3.412 3.578 . 0 0 "[ . 1]" 1 2964 1 20 MET ME 1 43 ILE HA 3.565 3.079 4.051 3.526 3.421 3.597 . 0 0 "[ . 1]" 1 2965 1 47 ILE HG12 2 43 ILE HA 3.565 3.079 4.051 3.527 3.422 3.598 . 0 0 "[ . 1]" 1 2966 1 31 TYR HB3 2 54 ARG HB2 4.460 3.915 5.005 4.897 4.775 5.029 0.024 3 0 "[ . 1]" 1 2967 1 54 ARG HB2 2 31 TYR HB3 4.460 3.915 5.005 4.896 4.770 5.029 0.024 3 0 "[ . 1]" 1 2968 1 30 VAL HB 1 31 TYR HB3 4.477 3.956 4.998 4.538 4.483 4.593 . 0 0 "[ . 1]" 1 2969 2 30 VAL HB 2 31 TYR HB3 4.477 3.956 4.998 4.537 4.481 4.593 . 0 0 "[ . 1]" 1 2970 1 29 LYS HA 2 51 LEU MD1 4.047 . 6.000 5.137 5.038 5.249 . 0 0 "[ . 1]" 1 2971 1 51 LEU MD1 2 29 LYS HA 4.047 . 6.000 5.135 5.039 5.255 . 0 0 "[ . 1]" 1 2972 1 29 LYS HA 2 47 ILE MD 4.690 3.786 5.594 4.594 4.583 4.610 . 0 0 "[ . 1]" 1 2973 1 47 ILE MD 2 29 LYS HA 4.690 3.786 5.594 4.594 4.582 4.610 . 0 0 "[ . 1]" 1 2974 1 27 ARG HA 2 51 LEU MD1 4.312 3.561 5.063 4.187 4.124 4.242 . 0 0 "[ . 1]" 1 2975 1 51 LEU MD1 2 27 ARG HA 4.312 3.561 5.063 4.186 4.130 4.235 . 0 0 "[ . 1]" 1 2976 1 24 LEU HA 2 47 ILE MG 3.243 2.702 3.784 3.819 3.783 3.855 0.071 5 0 "[ . 1]" 1 2977 1 47 ILE MG 2 24 LEU HA 3.243 2.702 3.784 3.819 3.781 3.855 0.071 5 0 "[ . 1]" 1 2978 1 22 LYS HA 1 25 LYS HG3 4.769 4.158 5.380 5.482 5.411 5.532 0.152 2 0 "[ . 1]" 1 2979 2 22 LYS HA 2 25 LYS HG3 4.769 4.158 5.380 5.481 5.408 5.534 0.154 2 0 "[ . 1]" 1 2980 1 25 LYS HG3 1 26 THR HA 4.784 4.091 5.477 5.264 5.183 5.341 . 0 0 "[ . 1]" 1 2981 2 25 LYS HG3 2 26 THR HA 4.784 4.091 5.477 5.263 5.181 5.343 . 0 0 "[ . 1]" 1 2982 1 30 VAL MG1 1 31 TYR HB3 3.268 . 6.000 4.689 4.617 4.727 . 0 0 "[ . 1]" 1 2983 2 30 VAL MG1 2 31 TYR HB3 3.268 . 6.000 4.687 4.616 4.723 . 0 0 "[ . 1]" 1 2984 1 16 PHE HB2 2 18 ILE HG13 3.314 2.877 3.751 3.407 3.285 3.486 . 0 0 "[ . 1]" 1 2985 1 18 ILE HG13 2 16 PHE HB2 3.314 2.877 3.751 3.407 3.293 3.487 . 0 0 "[ . 1]" 1 2986 1 16 PHE HB2 1 18 ILE MG 4.347 . 6.000 3.677 3.609 3.742 . 0 0 "[ . 1]" 1 2987 1 18 ILE MD 2 16 PHE HB2 4.347 . 6.000 3.676 3.611 3.742 . 0 0 "[ . 1]" 1 2988 1 15 VAL MG2 1 16 PHE HB2 4.113 3.389 4.837 3.861 3.771 3.957 . 0 0 "[ . 1]" 1 2989 1 18 ILE MD 2 16 PHE HB2 4.113 3.389 4.837 3.861 3.774 3.958 . 0 0 "[ . 1]" 1 2990 1 16 PHE HB2 2 18 ILE HG12 5.187 . 6.000 4.028 3.854 4.140 . 0 0 "[ . 1]" 1 2991 1 18 ILE HG12 2 16 PHE HB2 5.187 . 6.000 4.030 3.856 4.146 . 0 0 "[ . 1]" 1 2992 1 21 ASP HB2 1 25 LYS QB 4.190 3.720 4.660 4.350 3.568 4.630 0.152 9 0 "[ . 1]" 1 2993 1 12 GLN HB3 2 23 ASP HB2 4.190 3.720 4.660 4.349 3.567 4.625 0.153 9 0 "[ . 1]" 1 2994 1 21 ASP HB2 2 44 GLU HB3 3.726 . 6.000 4.157 3.860 4.511 . 0 0 "[ . 1]" 1 2995 1 44 GLU HB3 2 21 ASP HB2 3.726 . 6.000 4.153 3.859 4.506 . 0 0 "[ . 1]" 1 2996 1 20 MET HB3 1 21 ASP HB2 5.561 4.907 6.215 4.908 4.816 5.205 0.091 7 0 "[ . 1]" 1 2997 1 53 LYS HB2 2 49 GLU HG2 5.561 4.907 6.215 4.907 4.810 5.203 0.097 7 0 "[ . 1]" 1 2998 1 16 PHE HB3 1 18 ILE HG12 4.205 . 6.000 2.965 2.841 3.065 . 0 0 "[ . 1]" 1 2999 1 18 ILE HG12 2 16 PHE HB3 4.205 . 6.000 2.967 2.843 3.073 . 0 0 "[ . 1]" 1 3000 1 29 LYS QE 1 39 LEU MD2 3.280 2.681 3.879 2.872 2.809 2.947 . 0 0 "[ . 1]" 1 3001 2 29 LYS QE 2 39 LEU MD2 3.280 2.681 3.879 2.873 2.812 2.948 . 0 0 "[ . 1]" 1 3002 1 32 CYS HB3 1 37 LEU MD1 3.488 . 6.000 4.266 4.136 4.334 . 0 0 "[ . 1]" 1 3003 2 32 CYS HB3 2 37 LEU MD1 3.488 . 6.000 4.267 4.135 4.337 . 0 0 "[ . 1]" 1 3004 1 15 VAL MG1 1 16 PHE HB3 3.919 3.236 4.602 4.212 4.175 4.236 . 0 0 "[ . 1]" 1 3005 1 15 VAL MG1 2 19 TYR HB2 3.919 3.236 4.602 4.212 4.175 4.234 . 0 0 "[ . 1]" 1 3006 1 13 LYS QE 1 15 VAL MG2 3.590 2.870 4.310 3.288 3.239 3.343 . 0 0 "[ . 1]" 1 3007 1 18 ILE MD 2 16 PHE HB3 3.590 2.870 4.310 3.286 3.239 3.339 . 0 0 "[ . 1]" 1 3008 1 13 LYS QE 1 15 VAL MG2 4.294 3.321 5.267 3.234 3.188 3.288 0.133 4 0 "[ . 1]" 1 3009 1 18 ILE MD 2 16 PHE HB3 4.294 3.321 5.267 3.232 3.190 3.285 0.131 4 0 "[ . 1]" 1 3010 1 20 MET ME 1 25 LYS HE2 4.756 4.190 5.322 4.755 4.630 4.855 . 0 0 "[ . 1]" 1 3011 1 53 LYS QD 2 52 GLN HG2 4.756 4.190 5.322 4.754 4.630 4.856 . 0 0 "[ . 1]" 1 3012 1 25 LYS HE3 1 25 LYS HG3 4.522 4.032 5.012 4.016 3.972 4.052 0.060 10 0 "[ . 1]" 1 3013 2 25 LYS HE3 2 25 LYS HG3 4.522 4.032 5.012 4.016 3.973 4.050 0.059 10 0 "[ . 1]" 1 3014 1 18 ILE HG13 1 20 MET HG2 4.352 . 6.000 3.239 3.082 3.325 . 0 0 "[ . 1]" 1 3015 2 18 ILE HG13 2 20 MET HG2 4.352 . 6.000 3.237 3.080 3.316 . 0 0 "[ . 1]" 1 3016 1 20 MET HG3 1 24 LEU QD 4.053 . 6.000 3.213 3.083 3.329 . 0 0 "[ . 1]" 1 3017 2 20 MET HG3 2 24 LEU QD 4.053 . 6.000 3.213 3.082 3.330 . 0 0 "[ . 1]" 1 3018 1 20 MET HG3 1 25 LYS HG3 3.746 . 6.000 3.104 2.974 3.294 . 0 0 "[ . 1]" 1 3019 2 20 MET HG3 2 25 LYS HG3 3.746 . 6.000 3.104 2.981 3.291 . 0 0 "[ . 1]" 1 3020 1 28 LEU HB2 2 51 LEU MD1 2.985 2.382 3.588 3.234 3.167 3.287 . 0 0 "[ . 1]" 1 3021 1 51 LEU MD1 2 28 LEU HB2 2.985 2.382 3.588 3.234 3.165 3.284 . 0 0 "[ . 1]" 1 3022 1 20 MET ME 2 51 LEU MD1 2.846 . 6.000 4.261 4.048 4.444 . 0 0 "[ . 1]" 1 3023 1 51 LEU MD1 2 20 MET ME 2.846 . 6.000 4.261 4.048 4.449 . 0 0 "[ . 1]" 1 3024 1 30 VAL HB 2 51 LEU MD1 3.640 2.972 4.308 3.777 3.645 3.924 . 0 0 "[ . 1]" 1 3025 1 51 LEU MD1 2 30 VAL HB 3.640 2.972 4.308 3.778 3.647 3.925 . 0 0 "[ . 1]" 1 3026 1 26 THR MG 1 30 VAL HB 4.273 3.595 4.951 4.539 4.388 4.664 . 0 0 "[ . 1]" 1 3027 2 26 THR MG 2 30 VAL HB 4.273 3.595 4.951 4.540 4.391 4.665 . 0 0 "[ . 1]" 1 3028 1 11 LYS QB 1 12 GLN HB2 4.404 . 6.000 3.164 2.552 3.613 . 0 0 "[ . 1]" 1 3029 1 22 LYS QB 2 12 GLN HB2 4.404 . 6.000 3.166 2.547 3.621 . 0 0 "[ . 1]" 1 3030 1 37 LEU HB3 2 51 LEU MD1 3.718 . 6.000 4.885 4.702 5.283 . 0 0 "[ . 1]" 1 3031 1 51 LEU MD1 2 37 LEU HB3 3.718 . 6.000 4.884 4.699 5.286 . 0 0 "[ . 1]" 1 3032 1 12 GLN HB2 1 13 LYS QG 4.445 3.867 5.023 4.253 3.796 4.470 0.071 6 0 "[ . 1]" 1 3033 2 12 GLN HB2 2 13 LYS QG 4.445 3.867 5.023 4.255 3.803 4.471 0.064 6 0 "[ . 1]" 1 3034 1 25 LYS HG2 1 39 LEU HG 4.155 3.526 4.784 4.242 4.204 4.295 . 0 0 "[ . 1]" 1 3035 2 25 LYS HG2 2 39 LEU HG 4.155 3.526 4.784 4.241 4.200 4.295 . 0 0 "[ . 1]" 1 3036 1 20 MET HB3 2 47 ILE MG 2.834 . 6.000 3.847 3.818 3.890 . 0 0 "[ . 1]" 1 3037 1 28 LEU MD1 2 51 LEU HG 2.834 . 6.000 3.847 3.821 3.890 . 0 0 "[ . 1]" 1 3038 1 18 ILE HB 1 18 ILE HG13 1.830 . 2.198 1.735 1.655 1.851 . 0 0 "[ . 1]" 1 3039 2 18 ILE HB 2 18 ILE HG13 1.830 . 2.198 1.736 1.659 1.851 . 0 0 "[ . 1]" 1 3040 1 28 LEU MD1 1 40 THR MG 2.660 . 6.000 4.545 4.502 4.612 . 0 0 "[ . 1]" 1 3041 2 28 LEU MD1 2 40 THR MG 2.660 . 6.000 4.545 4.504 4.609 . 0 0 "[ . 1]" 1 3042 1 40 THR MG 1 47 ILE MG 4.706 3.781 5.631 4.604 4.578 4.632 . 0 0 "[ . 1]" 1 3043 2 40 THR MG 2 47 ILE MG 4.706 3.781 5.631 4.603 4.579 4.634 . 0 0 "[ . 1]" 1 3044 1 18 ILE HG12 2 43 ILE MD 2.667 . 6.000 3.631 3.568 3.665 . 0 0 "[ . 1]" 1 3045 1 43 ILE MD 2 18 ILE HG12 2.667 . 6.000 3.630 3.570 3.666 . 0 0 "[ . 1]" 1 3046 1 49 GLU HA 1 50 TYR QD 4.224 3.640 4.808 4.726 4.631 4.806 . 0 0 "[ . 1]" 1 3047 1 42 ALA HA 2 50 TYR QD 4.224 3.640 4.808 4.728 4.633 4.811 0.003 1 0 "[ . 1]" 1 3048 1 21 ASP H 1 22 LYS QG 4.750 4.140 5.360 5.466 5.402 5.497 0.137 2 0 "[ . 1]" 1 3049 1 13 LYS QD 2 21 ASP H 4.750 4.140 5.360 5.466 5.396 5.503 0.143 2 0 "[ . 1]" 1 3050 1 21 ASP H 1 25 LYS HD3 4.037 . 6.000 4.960 4.912 5.027 . 0 0 "[ . 1]" 1 3051 1 14 ALA MB 2 21 ASP H 4.037 . 6.000 4.962 4.914 5.015 . 0 0 "[ . 1]" 1 3052 1 32 CYS H 1 33 ALA HA 5.424 4.660 6.188 5.013 4.984 5.063 . 0 0 "[ . 1]" 1 3053 2 32 CYS H 2 33 ALA HA 5.424 4.660 6.188 5.015 4.990 5.065 . 0 0 "[ . 1]" 1 3054 1 22 LYS H 1 22 LYS HA 2.383 2.129 2.637 2.552 2.543 2.560 . 0 0 "[ . 1]" 1 3055 2 22 LYS H 2 22 LYS HA 2.383 2.129 2.637 2.552 2.544 2.560 . 0 0 "[ . 1]" 1 3056 1 32 CYS H 1 32 CYS HB3 2.898 2.643 3.153 3.206 3.165 3.233 0.080 10 0 "[ . 1]" 1 3057 2 32 CYS H 2 32 CYS HB3 2.898 2.643 3.153 3.205 3.162 3.240 0.087 10 0 "[ . 1]" 1 3058 1 32 CYS H 1 33 ALA MB 3.486 3.081 3.891 3.960 3.939 3.990 0.099 8 0 "[ . 1]" 1 3059 2 32 CYS H 2 33 ALA MB 3.486 3.081 3.891 3.960 3.939 3.992 0.101 9 0 "[ . 1]" 1 3060 1 30 VAL MG1 1 32 CYS H 3.441 . 6.000 4.608 4.578 4.639 . 0 0 "[ . 1]" 1 3061 2 30 VAL MG1 2 32 CYS H 3.441 . 6.000 4.607 4.576 4.642 . 0 0 "[ . 1]" 1 3062 1 28 LEU MD2 1 32 CYS H 2.736 . 6.000 3.352 3.319 3.387 . 0 0 "[ . 1]" 1 3063 2 28 LEU MD2 2 32 CYS H 2.736 . 6.000 3.352 3.318 3.387 . 0 0 "[ . 1]" 1 3064 1 21 ASP HA 1 22 LYS H 2.110 . 2.331 2.001 1.989 2.019 . 0 0 "[ . 1]" 1 3065 2 21 ASP HA 2 22 LYS H 2.110 . 2.331 2.002 1.989 2.022 . 0 0 "[ . 1]" 1 3066 1 22 LYS H 2 12 GLN HB2 3.874 . 6.000 4.471 3.071 5.484 . 0 0 "[ . 1]" 1 3067 1 12 GLN HB2 2 22 LYS H 3.874 . 6.000 4.472 3.075 5.493 . 0 0 "[ . 1]" 1 3068 1 22 LYS H 1 22 LYS QB 2.025 . 2.247 1.915 1.901 1.927 . 0 0 "[ . 1]" 1 3069 2 22 LYS H 2 22 LYS QB 2.025 . 2.247 1.915 1.904 1.925 . 0 0 "[ . 1]" 1 3070 1 22 LYS H 1 22 LYS QD 3.640 . 6.000 3.209 3.147 3.252 . 0 0 "[ . 1]" 1 3071 2 22 LYS H 2 22 LYS QD 3.640 . 6.000 3.209 3.149 3.251 . 0 0 "[ . 1]" 1 3072 1 22 LYS H 1 22 LYS QG 3.300 2.973 3.627 3.425 3.404 3.436 . 0 0 "[ . 1]" 1 3073 2 22 LYS H 2 22 LYS QG 3.300 2.973 3.627 3.425 3.405 3.439 . 0 0 "[ . 1]" 1 3074 1 22 LYS H 1 26 THR MG 4.132 . 6.000 5.429 5.279 5.563 . 0 0 "[ . 1]" 1 3075 1 13 LYS QG 2 22 LYS H 4.132 . 6.000 5.431 5.290 5.566 . 0 0 "[ . 1]" 1 3076 1 13 LYS QD 1 14 ALA H 3.290 . 6.000 4.087 3.639 4.231 . 0 0 "[ . 1]" 1 3077 1 25 LYS HD3 2 14 ALA H 3.290 . 6.000 4.085 3.638 4.225 . 0 0 "[ . 1]" 1 3078 1 12 GLN HA 1 14 ALA H 4.496 3.870 5.122 4.685 4.617 4.743 . 0 0 "[ . 1]" 1 3079 1 18 ILE HA 2 16 PHE H 4.496 3.870 5.122 4.681 4.621 4.747 . 0 0 "[ . 1]" 1 3080 1 25 LYS HG3 1 29 LYS H 3.711 . 6.000 5.114 5.071 5.217 . 0 0 "[ . 1]" 1 3081 2 25 LYS HG3 2 29 LYS H 3.711 . 6.000 5.114 5.071 5.216 . 0 0 "[ . 1]" 1 3082 1 28 LEU MD2 1 29 LYS H 2.602 . 6.000 3.211 3.173 3.260 . 0 0 "[ . 1]" 1 3083 2 28 LEU MD2 2 29 LYS H 2.602 . 6.000 3.212 3.171 3.261 . 0 0 "[ . 1]" 1 3084 1 38 GLN H 1 38 GLN HG2 3.539 3.220 3.858 3.494 3.449 3.534 . 0 0 "[ . 1]" 1 3085 2 38 GLN H 2 38 GLN HG2 3.539 3.220 3.858 3.496 3.454 3.533 . 0 0 "[ . 1]" 1 3086 1 28 LEU MD2 1 30 VAL H 3.318 2.812 3.824 3.702 3.607 3.757 . 0 0 "[ . 1]" 1 3087 2 28 LEU MD2 2 30 VAL H 3.318 2.812 3.824 3.703 3.608 3.760 . 0 0 "[ . 1]" 1 3088 1 29 LYS QB 1 30 VAL H 2.396 2.145 2.647 2.221 2.205 2.235 . 0 0 "[ . 1]" 1 3089 2 29 LYS QB 2 30 VAL H 2.396 2.145 2.647 2.220 2.206 2.233 . 0 0 "[ . 1]" 1 3090 1 30 VAL H 1 30 VAL MG1 2.775 . 6.000 3.420 3.392 3.471 . 0 0 "[ . 1]" 1 3091 2 30 VAL H 2 30 VAL MG1 2.775 . 6.000 3.421 3.392 3.470 . 0 0 "[ . 1]" 1 3092 1 30 VAL H 1 31 TYR HA 5.589 4.767 6.411 4.847 4.808 4.881 . 0 0 "[ . 1]" 1 3093 2 30 VAL H 2 31 TYR HA 5.589 4.767 6.411 4.847 4.809 4.880 . 0 0 "[ . 1]" 1 3094 1 27 ARG HG3 1 30 VAL H 3.714 . 6.000 4.962 4.896 4.998 . 0 0 "[ . 1]" 1 3095 2 27 ARG HG3 2 30 VAL H 3.714 . 6.000 4.963 4.901 4.993 . 0 0 "[ . 1]" 1 3096 1 45 GLU HA 1 48 LYS H 3.437 3.013 3.861 3.186 3.121 3.240 . 0 0 "[ . 1]" 1 3097 2 45 GLU HA 2 48 LYS H 3.437 3.013 3.861 3.186 3.120 3.243 . 0 0 "[ . 1]" 1 3098 1 48 LYS H 1 48 LYS HA 2.488 2.180 2.796 2.735 2.719 2.751 . 0 0 "[ . 1]" 1 3099 2 48 LYS H 2 48 LYS HA 2.488 2.180 2.796 2.735 2.721 2.751 . 0 0 "[ . 1]" 1 3100 1 48 LYS H 1 48 LYS HB2 2.604 2.344 2.864 2.589 2.562 2.620 . 0 0 "[ . 1]" 1 3101 2 48 LYS H 2 48 LYS HB2 2.604 2.344 2.864 2.590 2.562 2.622 . 0 0 "[ . 1]" 1 3102 1 20 MET H 2 40 THR MG 3.125 2.812 3.438 2.972 2.907 3.037 . 0 0 "[ . 1]" 1 3103 1 40 THR MG 2 20 MET H 3.125 2.812 3.438 2.972 2.911 3.040 . 0 0 "[ . 1]" 1 3104 1 48 LYS H 1 48 LYS HB3 2.146 . 2.381 2.052 1.997 2.082 . 0 0 "[ . 1]" 1 3105 2 48 LYS H 2 48 LYS HB3 2.146 . 2.381 2.051 1.996 2.082 . 0 0 "[ . 1]" 1 3106 1 20 MET H 2 16 PHE HB3 5.107 . 6.000 3.795 3.719 3.873 . 0 0 "[ . 1]" 1 3107 1 16 PHE HB3 2 20 MET H 5.107 . 6.000 3.796 3.722 3.874 . 0 0 "[ . 1]" 1 3108 1 47 ILE H 1 47 ILE HB 1.905 . 2.091 1.955 1.918 1.981 . 0 0 "[ . 1]" 1 3109 2 47 ILE H 2 47 ILE HB 1.905 . 2.091 1.954 1.918 1.981 . 0 0 "[ . 1]" 1 3110 1 24 LEU HA 1 28 LEU H 3.979 3.474 4.484 4.194 4.109 4.313 . 0 0 "[ . 1]" 1 3111 2 24 LEU HA 2 28 LEU H 3.979 3.474 4.484 4.194 4.108 4.310 . 0 0 "[ . 1]" 1 3112 1 46 ALA HA 1 47 ILE H 3.263 2.872 3.654 3.309 3.288 3.333 . 0 0 "[ . 1]" 1 3113 2 46 ALA HA 2 47 ILE H 3.263 2.872 3.654 3.308 3.290 3.332 . 0 0 "[ . 1]" 1 3114 1 43 ILE HA 1 47 ILE H 3.552 3.142 3.962 3.310 3.283 3.336 . 0 0 "[ . 1]" 1 3115 1 50 TYR QB 2 47 ILE H 3.552 3.142 3.962 3.309 3.283 3.330 . 0 0 "[ . 1]" 1 3116 1 20 MET H 2 16 PHE HB3 4.429 3.945 4.913 4.185 4.034 4.310 . 0 0 "[ . 1]" 1 3117 1 16 PHE HB3 2 20 MET H 4.429 3.945 4.913 4.185 4.034 4.310 . 0 0 "[ . 1]" 1 3118 1 18 ILE HG12 1 20 MET H 4.586 3.949 5.223 4.370 4.296 4.425 . 0 0 "[ . 1]" 1 3119 2 18 ILE HG12 2 20 MET H 4.586 3.949 5.223 4.369 4.295 4.424 . 0 0 "[ . 1]" 1 3120 1 25 LYS HA 1 28 LEU H 2.785 2.451 3.119 3.186 3.152 3.208 0.089 8 0 "[ . 1]" 1 3121 2 25 LYS HA 2 28 LEU H 2.785 2.451 3.119 3.186 3.154 3.207 0.088 8 0 "[ . 1]" 1 3122 1 27 ARG HG3 1 28 LEU H 2.369 2.122 2.616 2.795 2.755 2.833 0.217 2 0 "[ . 1]" 1 3123 1 47 ILE HG12 2 28 LEU H 2.369 2.122 2.616 2.796 2.761 2.836 0.220 2 0 "[ . 1]" 1 3124 1 24 LEU QD 1 28 LEU H 2.287 . 2.640 2.168 2.122 2.217 . 0 0 "[ . 1]" 1 3125 1 46 ALA MB 2 47 ILE H 2.287 . 2.640 2.169 2.124 2.219 . 0 0 "[ . 1]" 1 3126 1 18 ILE MD 1 20 MET H 2.524 . 6.000 3.371 3.317 3.423 . 0 0 "[ . 1]" 1 3127 1 15 VAL MG2 2 20 MET H 2.524 . 6.000 3.371 3.316 3.421 . 0 0 "[ . 1]" 1 3128 1 27 ARG QD 1 28 LEU H 4.460 3.888 5.032 3.970 3.852 4.029 0.036 1 0 "[ . 1]" 1 3129 2 27 ARG QD 2 28 LEU H 4.460 3.888 5.032 3.970 3.852 4.029 0.036 1 0 "[ . 1]" 1 3130 1 23 ASP H 1 25 LYS HE2 5.079 4.397 5.761 5.303 5.246 5.393 . 0 0 "[ . 1]" 1 3131 2 23 ASP H 2 25 LYS HE2 5.079 4.397 5.761 5.303 5.253 5.378 . 0 0 "[ . 1]" 1 3132 1 38 GLN HG2 1 40 THR H 4.873 . 6.000 4.059 3.988 4.114 . 0 0 "[ . 1]" 1 3133 2 38 GLN HG2 2 40 THR H 4.873 . 6.000 4.061 3.991 4.115 . 0 0 "[ . 1]" 1 3134 1 11 LYS H 1 11 LYS QB 1.909 . 2.073 2.068 1.973 2.129 0.056 8 0 "[ . 1]" 1 3135 2 11 LYS H 2 11 LYS QB 1.909 . 2.073 2.068 1.968 2.135 0.062 7 0 "[ . 1]" 1 3136 1 13 LYS H 1 13 LYS QB 2.337 2.126 2.548 2.419 2.378 2.506 . 0 0 "[ . 1]" 1 3137 2 13 LYS H 2 13 LYS QB 2.337 2.126 2.548 2.419 2.380 2.506 . 0 0 "[ . 1]" 1 3138 1 23 ASP H 1 24 LEU QD 3.507 2.980 4.034 3.926 3.870 3.972 . 0 0 "[ . 1]" 1 3139 1 24 LEU QD 2 52 GLN H 3.507 2.980 4.034 3.926 3.867 3.974 . 0 0 "[ . 1]" 1 3140 1 28 LEU MD1 1 40 THR H 3.012 . 6.000 4.240 4.192 4.265 . 0 0 "[ . 1]" 1 3141 2 28 LEU MD1 2 40 THR H 3.012 . 6.000 4.241 4.187 4.264 . 0 0 "[ . 1]" 1 3142 1 28 LEU MD1 1 40 THR H 3.491 . 6.000 5.166 5.098 5.230 . 0 0 "[ . 1]" 1 3143 2 28 LEU MD1 2 40 THR H 3.491 . 6.000 5.167 5.101 5.235 . 0 0 "[ . 1]" 1 3144 1 22 LYS QE 1 23 ASP H 4.590 4.029 5.151 4.326 3.905 5.077 0.124 9 0 "[ . 1]" 1 3145 2 22 LYS QE 2 23 ASP H 4.590 4.029 5.151 4.325 3.908 5.073 0.121 9 0 "[ . 1]" 1 3146 1 18 ILE H 2 16 PHE HB3 3.528 3.082 3.974 3.145 3.070 3.223 0.012 8 0 "[ . 1]" 1 3147 1 16 PHE HB3 2 18 ILE H 3.528 3.082 3.974 3.143 3.073 3.231 0.009 8 0 "[ . 1]" 1 3148 1 45 GLU QB 1 46 ALA H 2.906 . 6.000 2.573 2.484 2.668 . 0 0 "[ . 1]" 1 3149 2 45 GLU QB 2 46 ALA H 2.906 . 6.000 2.571 2.480 2.665 . 0 0 "[ . 1]" 1 3150 1 13 LYS H 2 21 ASP HB3 4.617 4.058 5.176 4.067 4.008 4.171 0.050 9 0 "[ . 1]" 1 3151 1 21 ASP HB3 2 13 LYS H 4.617 4.058 5.176 4.065 4.005 4.167 0.053 9 0 "[ . 1]" 1 3152 1 45 GLU HG3 1 46 ALA H 5.134 . 6.000 3.985 3.932 4.047 . 0 0 "[ . 1]" 1 3153 2 45 GLU HG3 2 46 ALA H 5.134 . 6.000 3.986 3.932 4.047 . 0 0 "[ . 1]" 1 3154 1 18 ILE H 1 18 ILE HG13 2.182 . 2.468 2.086 2.072 2.102 . 0 0 "[ . 1]" 1 3155 2 18 ILE H 2 18 ILE HG13 2.182 . 2.468 2.088 2.077 2.105 . 0 0 "[ . 1]" 1 3156 1 17 GLY HA3 1 18 ILE H 3.003 2.727 3.279 2.810 2.791 2.833 . 0 0 "[ . 1]" 1 3157 2 17 GLY HA3 2 18 ILE H 3.003 2.727 3.279 2.807 2.795 2.836 . 0 0 "[ . 1]" 1 3158 1 32 CYS HB2 1 37 LEU H 4.527 4.033 5.021 4.917 4.859 4.972 . 0 0 "[ . 1]" 1 3159 1 31 TYR HB2 2 51 LEU H 4.527 4.033 5.021 4.916 4.854 4.973 . 0 0 "[ . 1]" 1 3160 1 44 GLU HG3 1 46 ALA H 3.628 3.253 4.003 4.002 3.973 4.034 0.031 8 0 "[ . 1]" 1 3161 1 47 ILE HB 2 46 ALA H 3.628 3.253 4.003 4.002 3.977 4.030 0.027 8 0 "[ . 1]" 1 3162 1 18 ILE H 2 40 THR MG 4.431 3.766 5.096 4.002 3.879 4.154 . 0 0 "[ . 1]" 1 3163 1 40 THR MG 2 18 ILE H 4.431 3.766 5.096 4.001 3.876 4.153 . 0 0 "[ . 1]" 1 3164 1 18 ILE H 2 43 ILE MD 3.103 . 6.000 4.897 4.846 4.933 . 0 0 "[ . 1]" 1 3165 1 43 ILE MD 2 18 ILE H 3.103 . 6.000 4.897 4.853 4.934 . 0 0 "[ . 1]" 1 3166 1 18 ILE H 1 18 ILE HB 2.604 . 6.000 3.050 3.032 3.075 . 0 0 "[ . 1]" 1 3167 2 18 ILE H 2 18 ILE HB 2.604 . 6.000 3.051 3.031 3.075 . 0 0 "[ . 1]" 1 3168 1 27 ARG HB3 1 27 ARG HE 2.972 2.730 3.214 3.124 3.103 3.159 . 0 0 "[ . 1]" 1 3169 2 27 ARG HB3 2 27 ARG HE 2.972 2.730 3.214 3.125 3.105 3.164 . 0 0 "[ . 1]" 1 3170 1 17 GLY H 1 18 ILE HG12 3.279 . 6.000 4.401 4.332 4.467 . 0 0 "[ . 1]" 1 3171 1 18 ILE HG12 2 17 GLY H 3.279 . 6.000 4.405 4.338 4.470 . 0 0 "[ . 1]" 1 3172 1 27 ARG HE 1 30 VAL HB 4.455 3.914 4.996 4.154 4.053 4.219 . 0 0 "[ . 1]" 1 3173 2 27 ARG HE 2 30 VAL HB 4.455 3.914 4.996 4.153 4.051 4.221 . 0 0 "[ . 1]" 1 3174 1 18 ILE H 2 40 THR MG 3.358 2.910 3.806 3.612 3.592 3.634 . 0 0 "[ . 1]" 1 3175 1 40 THR MG 2 18 ILE H 3.358 2.910 3.806 3.612 3.593 3.635 . 0 0 "[ . 1]" 1 3176 1 17 GLY H 2 43 ILE MD 2.943 . 6.000 4.967 4.900 5.020 . 0 0 "[ . 1]" 1 3177 1 43 ILE MD 2 17 GLY H 2.943 . 6.000 4.967 4.909 5.023 . 0 0 "[ . 1]" 1 3178 1 51 LEU H 1 51 LEU MD1 2.014 . 6.000 2.685 2.649 2.738 . 0 0 "[ . 1]" 1 3179 2 51 LEU H 2 51 LEU MD1 2.014 . 6.000 2.687 2.650 2.744 . 0 0 "[ . 1]" 1 3180 1 27 ARG HA 1 27 ARG HE 3.874 3.434 4.314 3.467 3.380 3.651 0.054 1 0 "[ . 1]" 1 3181 2 27 ARG HA 2 27 ARG HE 3.874 3.434 4.314 3.466 3.387 3.665 0.047 1 0 "[ . 1]" 1 3182 1 17 GLY H 1 17 GLY HA2 2.579 2.313 2.845 2.367 2.352 2.374 . 0 0 "[ . 1]" 1 3183 2 17 GLY H 2 17 GLY HA2 2.579 2.313 2.845 2.367 2.354 2.375 . 0 0 "[ . 1]" 1 3184 1 16 PHE HB3 1 17 GLY H 2.848 . 6.000 3.748 3.611 3.925 . 0 0 "[ . 1]" 1 3185 1 48 LYS QE 2 27 ARG HE 2.848 . 6.000 3.750 3.620 3.929 . 0 0 "[ . 1]" 1 3186 1 24 LEU HA 1 27 ARG HE 3.523 . 6.000 4.204 4.080 4.306 . 0 0 "[ . 1]" 1 3187 1 31 TYR HA 2 56 GLY H 3.523 . 6.000 4.205 4.079 4.307 . 0 0 "[ . 1]" 1 3188 1 55 ASN HB2 1 56 GLY H 2.380 2.161 2.599 2.644 2.563 2.705 0.106 7 0 "[ . 1]" 1 3189 2 55 ASN HB2 2 56 GLY H 2.380 2.161 2.599 2.644 2.558 2.704 0.105 7 0 "[ . 1]" 1 3190 1 15 VAL H 2 20 MET HB2 4.528 . 6.000 6.014 5.983 6.047 0.047 5 0 "[ . 1]" 1 3191 1 20 MET HB2 2 15 VAL H 4.528 . 6.000 6.014 5.981 6.044 0.044 5 0 "[ . 1]" 1 3192 1 31 TYR HA 1 33 ALA H 3.911 3.432 4.390 3.932 3.761 4.110 . 0 0 "[ . 1]" 1 3193 2 31 TYR HA 2 33 ALA H 3.911 3.432 4.390 3.933 3.772 4.106 . 0 0 "[ . 1]" 1 3194 1 20 MET ME 1 26 THR H 3.694 . 6.000 4.571 4.506 4.766 . 0 0 "[ . 1]" 1 3195 1 47 ILE HG12 2 26 THR H 3.694 . 6.000 4.571 4.508 4.769 . 0 0 "[ . 1]" 1 3196 1 24 LEU HB3 1 26 THR H 4.250 3.756 4.744 4.293 4.038 4.431 . 0 0 "[ . 1]" 1 3197 2 24 LEU HB3 2 26 THR H 4.250 3.756 4.744 4.294 4.045 4.428 . 0 0 "[ . 1]" 1 3198 1 26 THR H 1 27 ARG HB2 4.991 4.428 5.554 4.759 4.664 4.855 . 0 0 "[ . 1]" 1 3199 2 26 THR H 2 27 ARG HB2 4.991 4.428 5.554 4.758 4.668 4.851 . 0 0 "[ . 1]" 1 3200 1 22 LYS QG 1 26 THR H 3.115 . 6.000 3.862 3.798 3.990 . 0 0 "[ . 1]" 1 3201 2 22 LYS QG 2 26 THR H 3.115 . 6.000 3.861 3.799 3.993 . 0 0 "[ . 1]" 1 3202 1 40 THR MG 1 43 ILE H 4.145 3.456 4.834 4.502 4.484 4.531 . 0 0 "[ . 1]" 1 3203 2 40 THR MG 2 43 ILE H 4.145 3.456 4.834 4.501 4.484 4.523 . 0 0 "[ . 1]" 1 3204 1 43 ILE H 1 43 ILE MG 2.429 . 6.000 3.405 3.389 3.431 . 0 0 "[ . 1]" 1 3205 1 18 ILE MD 2 43 ILE H 2.429 . 6.000 3.405 3.388 3.427 . 0 0 "[ . 1]" 1 3206 1 41 GLN HB2 1 43 ILE H 4.483 . 6.000 5.257 5.196 5.335 . 0 0 "[ . 1]" 1 3207 2 41 GLN HB2 2 43 ILE H 4.483 . 6.000 5.256 5.195 5.335 . 0 0 "[ . 1]" 1 3208 1 41 GLN HA 1 43 ILE H 3.249 . 6.000 3.790 3.731 3.831 . 0 0 "[ . 1]" 1 3209 2 41 GLN HA 2 43 ILE H 3.249 . 6.000 3.788 3.733 3.832 . 0 0 "[ . 1]" 1 3210 1 24 LEU H 1 25 LYS QB 3.558 3.199 3.917 3.527 3.493 3.571 . 0 0 "[ . 1]" 1 3211 2 24 LEU H 2 25 LYS QB 3.558 3.199 3.917 3.526 3.491 3.565 . 0 0 "[ . 1]" 1 3212 1 24 LEU H 1 24 LEU QD 2.620 2.285 2.955 3.097 3.071 3.127 0.172 8 0 "[ . 1]" 1 3213 2 24 LEU H 2 24 LEU QD 2.620 2.285 2.955 3.097 3.071 3.128 0.173 8 0 "[ . 1]" 1 3214 1 24 LEU H 1 24 LEU QD 2.970 2.608 3.332 3.204 3.178 3.244 . 0 0 "[ . 1]" 1 3215 2 24 LEU H 2 24 LEU QD 2.970 2.608 3.332 3.203 3.177 3.244 . 0 0 "[ . 1]" 1 3216 1 24 LEU H 1 24 LEU HA 2.881 2.525 3.237 2.717 2.691 2.742 . 0 0 "[ . 1]" 1 3217 2 24 LEU H 2 24 LEU HA 2.881 2.525 3.237 2.717 2.691 2.744 . 0 0 "[ . 1]" 1 3218 1 21 ASP HB2 1 24 LEU H 2.979 2.690 3.268 3.317 3.199 3.352 0.084 1 0 "[ . 1]" 1 3219 2 21 ASP HB2 2 24 LEU H 2.979 2.690 3.268 3.319 3.203 3.363 0.095 1 0 "[ . 1]" 1 3220 1 22 LYS QE 1 27 ARG H 4.805 . 6.000 5.622 5.365 5.849 . 0 0 "[ . 1]" 1 3221 1 48 LYS QE 2 27 ARG H 4.805 . 6.000 5.621 5.366 5.852 . 0 0 "[ . 1]" 1 3222 1 20 MET ME 1 27 ARG H 3.335 2.978 3.692 3.557 3.541 3.580 . 0 0 "[ . 1]" 1 3223 1 20 MET ME 2 44 GLU H 3.335 2.978 3.692 3.557 3.542 3.578 . 0 0 "[ . 1]" 1 3224 1 27 ARG H 2 51 LEU MD2 3.227 . 6.000 4.218 4.172 4.260 . 0 0 "[ . 1]" 1 3225 1 51 LEU MD2 2 27 ARG H 3.227 . 6.000 4.217 4.181 4.253 . 0 0 "[ . 1]" 1 3226 1 28 LEU MD1 1 31 TYR H 3.056 2.561 3.551 3.610 3.571 3.658 0.107 4 0 "[ . 1]" 1 3227 2 28 LEU MD1 2 31 TYR H 3.056 2.561 3.551 3.609 3.572 3.658 0.107 4 0 "[ . 1]" 1 3228 1 24 LEU HA 1 25 LYS H 2.854 2.521 3.187 2.716 2.708 2.721 . 0 0 "[ . 1]" 1 3229 2 24 LEU HA 2 25 LYS H 2.854 2.521 3.187 2.715 2.708 2.723 . 0 0 "[ . 1]" 1 3230 1 30 VAL HA 1 31 TYR H 2.785 2.453 3.117 3.232 3.219 3.243 0.126 8 0 "[ . 1]" 1 3231 2 30 VAL HA 2 31 TYR H 2.785 2.453 3.117 3.232 3.218 3.242 0.125 7 0 "[ . 1]" 1 3232 1 25 LYS H 1 25 LYS HA 2.388 2.115 2.661 2.501 2.483 2.508 . 0 0 "[ . 1]" 1 3233 2 25 LYS H 2 25 LYS HA 2.388 2.115 2.661 2.501 2.484 2.508 . 0 0 "[ . 1]" 1 3234 1 22 LYS QE 1 25 LYS H 6.146 5.344 6.948 5.402 5.356 5.483 . 0 0 "[ . 1]" 1 3235 2 22 LYS QE 2 25 LYS H 6.146 5.344 6.948 5.401 5.356 5.486 . 0 0 "[ . 1]" 1 3236 1 25 LYS H 1 25 LYS QB 2.150 . 2.419 1.961 1.941 1.987 . 0 0 "[ . 1]" 1 3237 2 25 LYS H 2 25 LYS QB 2.150 . 2.419 1.961 1.936 1.985 . 0 0 "[ . 1]" 1 3238 1 40 THR MG 1 44 GLU H 3.566 3.017 4.115 3.722 3.686 3.739 . 0 0 "[ . 1]" 1 3239 2 40 THR MG 2 44 GLU H 3.566 3.017 4.115 3.721 3.680 3.737 . 0 0 "[ . 1]" 1 3240 1 25 LYS H 1 25 LYS HG3 3.235 2.815 3.655 3.390 3.348 3.421 . 0 0 "[ . 1]" 1 3241 2 25 LYS H 2 25 LYS HG3 3.235 2.815 3.655 3.389 3.348 3.421 . 0 0 "[ . 1]" 1 3242 1 25 LYS H 2 47 ILE MD 3.034 . 6.000 4.083 4.038 4.113 . 0 0 "[ . 1]" 1 3243 1 18 ILE MG 2 44 GLU H 3.034 . 6.000 4.082 4.041 4.117 . 0 0 "[ . 1]" 1 3244 1 31 TYR H 2 51 LEU MD1 2.884 . 6.000 3.933 3.839 4.027 . 0 0 "[ . 1]" 1 3245 1 51 LEU MD1 2 31 TYR H 2.884 . 6.000 3.933 3.848 4.021 . 0 0 "[ . 1]" 1 3246 1 31 TYR H 1 33 ALA MB 3.503 . 6.000 4.582 4.491 4.700 . 0 0 "[ . 1]" 1 3247 2 31 TYR H 2 33 ALA MB 3.503 . 6.000 4.582 4.496 4.697 . 0 0 "[ . 1]" 1 3248 1 42 ALA HA 1 44 GLU H 2.864 2.556 3.172 3.262 3.227 3.301 0.129 7 0 "[ . 1]" 1 3249 2 42 ALA HA 2 44 GLU H 2.864 2.556 3.172 3.262 3.228 3.300 0.128 7 0 "[ . 1]" 1 3250 1 20 MET HG3 1 25 LYS H 4.072 3.586 4.558 3.778 3.687 3.892 . 0 0 "[ . 1]" 1 3251 2 20 MET HG3 2 25 LYS H 4.072 3.586 4.558 3.778 3.691 3.891 . 0 0 "[ . 1]" 1 3252 1 25 LYS H 1 25 LYS HE3 4.267 3.833 4.701 4.659 4.532 4.858 0.157 10 0 "[ . 1]" 1 3253 2 25 LYS H 2 25 LYS HE3 4.267 3.833 4.701 4.657 4.534 4.860 0.159 10 0 "[ . 1]" 1 3254 1 22 LYS QG 1 25 LYS H 3.493 3.080 3.906 3.689 3.678 3.706 . 0 0 "[ . 1]" 1 3255 1 14 ALA MB 2 25 LYS H 3.493 3.080 3.906 3.689 3.674 3.704 . 0 0 "[ . 1]" 1 3256 1 25 LYS H 1 26 THR MG 4.576 3.730 5.422 5.252 5.186 5.302 . 0 0 "[ . 1]" 1 3257 2 25 LYS H 2 26 THR MG 4.576 3.730 5.422 5.253 5.187 5.301 . 0 0 "[ . 1]" 1 3258 1 25 LYS H 2 47 ILE MG 2.818 2.394 3.242 3.408 3.391 3.439 0.197 1 0 "[ . 1]" 1 3259 1 47 ILE MG 2 25 LYS H 2.818 2.394 3.242 3.407 3.391 3.437 0.195 1 0 "[ . 1]" 1 3260 1 22 LYS HA 1 25 LYS H 3.140 2.792 3.488 3.377 3.352 3.435 . 0 0 "[ . 1]" 1 3261 2 22 LYS HA 2 25 LYS H 3.140 2.792 3.488 3.376 3.350 3.432 . 0 0 "[ . 1]" 1 3262 1 22 LYS HA 1 25 LYS H 3.137 2.787 3.487 3.323 3.304 3.355 . 0 0 "[ . 1]" 1 3263 2 22 LYS HA 2 25 LYS H 3.137 2.787 3.487 3.323 3.301 3.355 . 0 0 "[ . 1]" 1 3264 1 20 MET ME 1 25 LYS H 2.978 2.623 3.333 3.090 3.004 3.379 0.046 8 0 "[ . 1]" 1 3265 1 20 MET ME 2 44 GLU H 2.978 2.623 3.333 3.090 3.002 3.383 0.050 8 0 "[ . 1]" 1 3266 1 21 ASP HA 1 25 LYS H 4.957 4.232 5.682 4.568 4.502 4.697 . 0 0 "[ . 1]" 1 3267 2 21 ASP HA 2 25 LYS H 4.957 4.232 5.682 4.569 4.505 4.697 . 0 0 "[ . 1]" 1 3268 1 25 LYS H 1 25 LYS HD3 3.783 3.359 4.207 4.259 4.238 4.284 0.077 7 0 "[ . 1]" 1 3269 1 14 ALA MB 2 25 LYS H 3.783 3.359 4.207 4.259 4.233 4.280 0.073 7 0 "[ . 1]" 1 3270 1 31 TYR HA 1 34 LYS H 2.478 2.225 2.731 2.700 2.661 2.735 0.004 2 0 "[ . 1]" 1 3271 2 31 TYR HA 2 34 LYS H 2.478 2.225 2.731 2.699 2.660 2.736 0.005 2 0 "[ . 1]" 1 3272 1 41 GLN HB2 1 41 GLN HE22 3.574 3.219 3.929 3.583 3.539 3.629 . 0 0 "[ . 1]" 1 3273 2 41 GLN HB2 2 41 GLN HE22 3.574 3.219 3.929 3.584 3.545 3.630 . 0 0 "[ . 1]" 1 3274 1 38 GLN HG2 1 41 GLN HE22 4.608 4.082 5.134 4.777 4.533 5.028 . 0 0 "[ . 1]" 1 3275 2 38 GLN HG2 2 41 GLN HE22 4.608 4.082 5.134 4.773 4.544 5.029 . 0 0 "[ . 1]" 1 3276 1 41 GLN HE22 1 41 GLN QG 2.914 2.688 3.140 3.130 3.098 3.190 0.050 10 0 "[ . 1]" 1 3277 2 41 GLN HE22 2 41 GLN QG 2.914 2.688 3.140 3.131 3.100 3.190 0.050 10 0 "[ . 1]" 1 3278 1 38 GLN QB 1 41 GLN HE22 4.620 . 6.000 3.700 3.552 3.864 . 0 0 "[ . 1]" 1 3279 2 38 GLN QB 2 41 GLN HE22 4.620 . 6.000 3.701 3.551 3.864 . 0 0 "[ . 1]" 1 3280 1 37 LEU MD2 1 41 GLN HE22 3.274 2.748 3.800 3.224 2.713 3.414 0.035 10 0 "[ . 1]" 1 3281 2 37 LEU MD2 2 41 GLN HE22 3.274 2.748 3.800 3.224 2.720 3.416 0.028 10 0 "[ . 1]" 1 3282 1 36 ASN H 1 36 ASN HB2 2.788 2.520 3.056 3.222 3.174 3.279 0.223 8 0 "[ . 1]" 1 3283 2 36 ASN H 2 36 ASN HB2 2.788 2.520 3.056 3.224 3.176 3.275 0.219 8 0 "[ . 1]" 1 3284 1 35 ASN HB2 1 36 ASN H 3.146 2.852 3.440 3.384 3.355 3.413 . 0 0 "[ . 1]" 1 3285 2 35 ASN HB2 2 36 ASN H 3.146 2.852 3.440 3.382 3.361 3.406 . 0 0 "[ . 1]" 1 3286 1 35 ASN HB3 1 36 ASN H 4.414 3.886 4.942 4.123 4.094 4.149 . 0 0 "[ . 1]" 1 3287 2 35 ASN HB3 2 36 ASN H 4.414 3.886 4.942 4.121 4.097 4.145 . 0 0 "[ . 1]" 1 3288 1 34 LYS HA 1 36 ASN H 2.980 2.641 3.319 3.497 3.453 3.536 0.217 3 0 "[ . 1]" 1 3289 2 34 LYS HA 2 36 ASN H 2.980 2.641 3.319 3.498 3.454 3.543 0.224 3 0 "[ . 1]" 1 3290 1 34 LYS QB 1 36 ASN H 4.001 3.578 4.424 4.151 4.093 4.204 . 0 0 "[ . 1]" 1 3291 2 34 LYS QB 2 36 ASN H 4.001 3.578 4.424 4.151 4.093 4.204 . 0 0 "[ . 1]" 1 3292 1 49 GLU QB 1 53 LYS H 3.294 2.977 3.611 3.252 3.187 3.330 . 0 0 "[ . 1]" 1 3293 2 49 GLU QB 2 53 LYS H 3.294 2.977 3.611 3.252 3.183 3.328 . 0 0 "[ . 1]" 1 3294 1 53 LYS H 1 53 LYS HG2 4.150 3.711 4.589 4.266 4.217 4.329 . 0 0 "[ . 1]" 1 3295 2 53 LYS H 2 53 LYS HG2 4.150 3.711 4.589 4.266 4.220 4.325 . 0 0 "[ . 1]" 1 3296 1 53 LYS H 1 53 LYS QE 5.344 . 6.000 4.320 3.730 4.570 . 0 0 "[ . 1]" 1 3297 1 34 LYS QE 2 55 ASN HD22 5.344 . 6.000 4.317 3.734 4.564 . 0 0 "[ . 1]" 1 3298 1 53 LYS H 1 53 LYS QD 4.477 3.994 4.960 4.166 4.006 4.427 . 0 0 "[ . 1]" 1 3299 1 53 LYS QD 2 53 LYS H 4.477 3.994 4.960 4.166 4.003 4.427 . 0 0 "[ . 1]" 1 3300 1 53 LYS H 1 54 ARG HB3 4.695 4.006 5.384 4.207 4.011 4.280 . 0 0 "[ . 1]" 1 3301 2 53 LYS H 2 54 ARG HB3 4.695 4.006 5.384 4.208 3.999 4.283 0.007 5 0 "[ . 1]" 1 3302 1 52 GLN HA 1 52 GLN HE22 5.283 4.600 5.966 4.893 4.639 5.184 . 0 0 "[ . 1]" 1 3303 1 24 LEU HA 2 52 GLN HE22 5.283 4.600 5.966 4.893 4.642 5.186 . 0 0 "[ . 1]" 1 3304 1 40 THR MG 1 46 ALA H 3.482 . 6.000 4.851 4.727 5.003 . 0 0 "[ . 1]" 1 3305 2 40 THR MG 2 46 ALA H 3.482 . 6.000 4.850 4.727 5.004 . 0 0 "[ . 1]" 1 3306 1 15 VAL H 1 15 VAL MG1 2.533 . 6.000 3.501 3.482 3.543 . 0 0 "[ . 1]" 1 3307 1 15 VAL MG1 2 19 TYR H 2.533 . 6.000 3.500 3.480 3.539 . 0 0 "[ . 1]" 1 3308 1 18 ILE H 1 18 ILE MG 2.305 . 2.674 2.361 2.315 2.401 . 0 0 "[ . 1]" 1 3309 2 18 ILE H 2 18 ILE MG 2.305 . 2.674 2.361 2.313 2.399 . 0 0 "[ . 1]" 1 3310 1 20 MET H 2 15 VAL MG1 2.619 . 6.000 3.464 3.426 3.497 . 0 0 "[ . 1]" 1 3311 1 15 VAL MG1 2 20 MET H 2.619 . 6.000 3.465 3.430 3.496 . 0 0 "[ . 1]" 1 3312 1 17 GLY H 1 18 ILE MG 1.879 . 6.000 2.341 2.286 2.390 . 0 0 "[ . 1]" 1 3313 2 17 GLY H 2 18 ILE MG 1.879 . 6.000 2.341 2.285 2.386 . 0 0 "[ . 1]" 1 3314 1 11 LYS H 1 11 LYS QB 2.564 . 6.000 2.027 1.943 2.083 . 0 0 "[ . 1]" 1 3315 2 11 LYS H 2 11 LYS QB 2.564 . 6.000 2.027 1.938 2.090 . 0 0 "[ . 1]" 1 3316 1 20 MET H 1 20 MET HB3 2.014 . 6.000 2.313 2.206 2.466 . 0 0 "[ . 1]" 1 3317 2 20 MET H 2 20 MET HB3 2.014 . 6.000 2.312 2.208 2.467 . 0 0 "[ . 1]" 1 3318 1 48 LYS H 1 50 TYR QB 4.027 3.531 4.523 3.687 3.655 3.726 . 0 0 "[ . 1]" 1 3319 1 50 TYR QB 2 49 GLU H 4.027 3.531 4.523 3.685 3.652 3.719 . 0 0 "[ . 1]" 1 3320 1 50 TYR H 1 50 TYR QD 3.519 3.156 3.882 3.948 3.933 3.961 0.079 5 0 "[ . 1]" 1 3321 1 50 TYR QD 2 50 TYR H 3.519 3.156 3.882 3.948 3.934 3.962 0.080 5 0 "[ . 1]" 1 3322 1 37 LEU H 1 41 GLN HE21 3.934 . 6.000 6.030 5.888 6.261 0.261 10 0 "[ . 1]" 1 3323 2 37 LEU H 2 41 GLN HE21 3.934 . 6.000 6.028 5.891 6.267 0.267 10 0 "[ . 1]" 1 3324 1 15 VAL H 2 19 TYR QE 3.333 . 6.000 4.516 4.465 4.550 . 0 0 "[ . 1]" 1 3325 1 19 TYR QE 2 15 VAL H 3.333 . 6.000 4.516 4.460 4.558 . 0 0 "[ . 1]" 1 3326 1 47 ILE H 1 50 TYR QD 4.070 3.470 4.670 4.152 4.077 4.213 . 0 0 "[ . 1]" 1 3327 1 50 TYR QD 2 47 ILE H 4.070 3.470 4.670 4.152 4.083 4.207 . 0 0 "[ . 1]" 1 3328 1 14 ALA H 2 19 TYR QD 3.521 . 6.000 4.201 4.139 4.249 . 0 0 "[ . 1]" 1 3329 1 19 TYR QD 2 14 ALA H 3.521 . 6.000 4.200 4.143 4.245 . 0 0 "[ . 1]" 1 3330 1 43 ILE H 2 50 TYR QE 4.209 3.636 4.782 4.752 4.713 4.785 0.003 1 0 "[ . 1]" 1 3331 1 50 TYR QE 2 43 ILE H 4.209 3.636 4.782 4.749 4.701 4.786 0.004 1 0 "[ . 1]" 1 3332 1 46 ALA H 2 50 TYR QE 3.796 3.243 4.349 3.956 3.910 4.003 . 0 0 "[ . 1]" 1 3333 1 50 TYR QE 2 46 ALA H 3.796 3.243 4.349 3.954 3.916 4.000 . 0 0 "[ . 1]" 1 3334 1 22 LYS H 1 23 ASP H 2.582 2.276 2.888 2.466 2.400 2.530 . 0 0 "[ . 1]" 1 3335 2 22 LYS H 2 23 ASP H 2.582 2.276 2.888 2.467 2.404 2.540 . 0 0 "[ . 1]" 1 3336 1 14 ALA H 1 15 VAL H 3.274 2.946 3.602 3.574 3.552 3.614 0.012 10 0 "[ . 1]" 1 3337 2 14 ALA H 2 15 VAL H 3.274 2.946 3.602 3.575 3.554 3.614 0.012 10 0 "[ . 1]" 1 3338 1 14 ALA H 2 20 MET H 3.075 2.702 3.448 3.353 3.222 3.469 0.021 8 0 "[ . 1]" 1 3339 1 20 MET H 2 14 ALA H 3.075 2.702 3.448 3.349 3.219 3.458 0.010 8 0 "[ . 1]" 1 3340 1 48 LYS H 1 50 TYR H 2.935 2.542 3.328 2.545 2.471 2.640 0.071 8 0 "[ . 1]" 1 3341 2 48 LYS H 2 50 TYR H 2.935 2.542 3.328 2.543 2.471 2.634 0.071 8 0 "[ . 1]" 1 3342 1 23 ASP H 1 25 LYS H 3.201 2.825 3.577 3.640 3.619 3.663 0.086 5 0 "[ . 1]" 1 3343 2 23 ASP H 2 25 LYS H 3.201 2.825 3.577 3.639 3.621 3.667 0.090 5 0 "[ . 1]" 1 3344 1 24 LEU H 1 25 LYS H 2.174 . 2.407 2.279 2.241 2.309 . 0 0 "[ . 1]" 1 3345 2 24 LEU H 2 25 LYS H 2.174 . 2.407 2.278 2.242 2.310 . 0 0 "[ . 1]" 1 3346 1 43 ILE H 1 47 ILE H 3.807 3.377 4.237 4.173 4.123 4.237 0.000 10 0 "[ . 1]" 1 3347 2 43 ILE H 2 47 ILE H 3.807 3.377 4.237 4.174 4.122 4.242 0.005 10 0 "[ . 1]" 1 3348 1 54 ARG H 1 54 ARG HG3 3.916 3.468 4.364 3.911 3.840 4.007 . 0 0 "[ . 1]" 1 3349 2 54 ARG H 2 54 ARG HG3 3.916 3.468 4.364 3.912 3.839 4.008 . 0 0 "[ . 1]" 1 3350 1 31 TYR QE 2 54 ARG HG2 2.587 2.281 2.893 2.524 2.283 2.828 . 0 0 "[ . 1]" 1 3351 1 54 ARG HG2 2 31 TYR QE 2.587 2.281 2.893 2.527 2.303 2.822 . 0 0 "[ . 1]" 1 3352 1 53 LYS HG3 1 54 ARG H 3.549 3.210 3.888 4.146 4.098 4.186 0.298 7 0 "[ . 1]" 1 3353 2 53 LYS HG3 2 54 ARG H 3.549 3.210 3.888 4.146 4.101 4.189 0.301 7 0 "[ . 1]" 1 3354 1 53 LYS HG2 1 54 ARG H 4.324 3.878 4.770 3.909 3.745 4.044 0.133 5 0 "[ . 1]" 1 3355 2 53 LYS HG2 2 54 ARG H 4.324 3.878 4.770 3.909 3.752 4.041 0.126 5 0 "[ . 1]" 1 3356 1 52 GLN HA 1 54 ARG H 2.743 2.450 3.036 3.119 3.060 3.163 0.127 5 0 "[ . 1]" 1 3357 2 52 GLN HA 2 54 ARG H 2.743 2.450 3.036 3.119 3.062 3.163 0.127 5 0 "[ . 1]" 1 3358 1 34 LYS HG3 1 35 ASN HD21 4.631 . 6.000 4.078 4.015 4.118 . 0 0 "[ . 1]" 1 3359 2 34 LYS HG3 2 35 ASN HD21 4.631 . 6.000 4.080 4.005 4.126 . 0 0 "[ . 1]" 1 3360 1 27 ARG H 1 27 ARG HE 5.316 4.741 5.891 4.726 4.661 4.889 0.080 2 0 "[ . 1]" 1 3361 1 31 TYR H 2 56 GLY H 5.316 4.741 5.891 4.728 4.655 4.899 0.086 2 0 "[ . 1]" 1 3362 1 44 GLU H 1 46 ALA H 3.722 . 6.000 2.515 2.433 2.590 . 0 0 "[ . 1]" 1 3363 2 44 GLU H 2 46 ALA H 3.722 . 6.000 2.516 2.437 2.596 . 0 0 "[ . 1]" 1 3364 1 21 ASP HB3 1 25 LYS H 3.905 3.526 4.284 3.985 3.841 4.277 . 0 0 "[ . 1]" 1 3365 2 21 ASP HB3 2 25 LYS H 3.905 3.526 4.284 3.983 3.850 4.270 . 0 0 "[ . 1]" 1 3366 1 42 ALA H 1 43 ILE MG 4.344 3.572 5.116 4.936 4.910 4.960 . 0 0 "[ . 1]" 1 3367 1 18 ILE MD 2 42 ALA H 4.344 3.572 5.116 4.937 4.911 4.957 . 0 0 "[ . 1]" 1 3368 1 46 ALA HA 1 48 LYS H 3.766 3.272 4.260 3.649 3.620 3.686 . 0 0 "[ . 1]" 1 3369 2 46 ALA HA 2 48 LYS H 3.766 3.272 4.260 3.648 3.624 3.685 . 0 0 "[ . 1]" 1 3370 1 38 GLN HG3 1 41 GLN H 4.219 3.816 4.622 4.671 4.640 4.702 0.080 10 0 "[ . 1]" 1 3371 2 38 GLN HG3 2 41 GLN H 4.219 3.816 4.622 4.672 4.640 4.698 0.076 10 0 "[ . 1]" 1 3372 1 20 MET ME 1 29 LYS H 3.295 . 6.000 4.401 4.372 4.427 . 0 0 "[ . 1]" 1 3373 2 20 MET ME 2 29 LYS H 3.295 . 6.000 4.401 4.374 4.426 . 0 0 "[ . 1]" 1 3374 1 14 ALA H 1 15 VAL MG2 2.840 . 6.000 3.731 3.712 3.763 . 0 0 "[ . 1]" 1 3375 1 18 ILE MD 2 16 PHE H 2.840 . 6.000 3.732 3.716 3.764 . 0 0 "[ . 1]" 1 3376 1 18 ILE HG13 1 20 MET H 2.979 2.508 3.450 2.678 2.542 2.789 . 0 0 "[ . 1]" 1 3377 1 24 LEU QD 2 48 LYS H 2.979 2.508 3.450 2.680 2.537 2.790 . 0 0 "[ . 1]" 1 3378 1 18 ILE MG 1 20 MET H 3.028 . 6.000 4.158 4.106 4.211 . 0 0 "[ . 1]" 1 3379 1 15 VAL MG1 2 20 MET H 3.028 . 6.000 4.160 4.107 4.215 . 0 0 "[ . 1]" 1 3380 1 28 LEU MD2 1 43 ILE H 3.076 2.659 3.493 3.172 3.144 3.195 . 0 0 "[ . 1]" 1 3381 2 28 LEU MD2 2 43 ILE H 3.076 2.659 3.493 3.172 3.143 3.199 . 0 0 "[ . 1]" 1 3382 1 28 LEU MD1 1 43 ILE H 2.325 . 6.000 3.094 3.028 3.176 . 0 0 "[ . 1]" 1 3383 2 28 LEU MD1 2 43 ILE H 2.325 . 6.000 3.095 3.030 3.182 . 0 0 "[ . 1]" 1 3384 1 11 LYS H 1 12 GLN HB2 3.011 2.795 3.227 3.157 2.752 3.378 0.151 3 0 "[ . 1]" 1 3385 2 11 LYS H 2 12 GLN HB2 3.011 2.795 3.227 3.161 2.764 3.375 0.148 3 0 "[ . 1]" 1 3386 1 27 ARG HE 1 30 VAL MG2 4.664 3.983 5.345 4.780 4.565 5.027 . 0 0 "[ . 1]" 1 3387 1 51 LEU HB3 2 27 ARG HE 4.664 3.983 5.345 4.781 4.555 5.039 . 0 0 "[ . 1]" 1 3388 1 24 LEU QD 1 27 ARG HE 3.858 . 6.000 5.325 4.959 5.843 . 0 0 "[ . 1]" 1 3389 2 24 LEU QD 2 27 ARG HE 3.858 . 6.000 5.327 4.964 5.837 . 0 0 "[ . 1]" 1 3390 1 37 LEU HB3 1 39 LEU H 4.064 3.438 4.690 4.339 4.304 4.413 . 0 0 "[ . 1]" 1 3391 2 37 LEU HB3 2 39 LEU H 4.064 3.438 4.690 4.338 4.301 4.418 . 0 0 "[ . 1]" 1 3392 1 21 ASP H 1 21 ASP HB3 3.242 2.881 3.603 2.971 2.918 3.097 . 0 0 "[ . 1]" 1 3393 1 44 GLU HG2 2 21 ASP H 3.242 2.881 3.603 2.968 2.909 3.094 . 0 0 "[ . 1]" 1 3394 1 21 ASP H 1 24 LEU HB3 4.177 3.630 4.724 3.762 3.631 3.855 . 0 0 "[ . 1]" 1 3395 1 13 LYS QB 2 21 ASP H 4.177 3.630 4.724 3.762 3.628 3.861 0.002 10 0 "[ . 1]" 1 3396 1 18 ILE MD 1 21 ASP H 4.486 3.650 5.322 5.132 5.082 5.231 . 0 0 "[ . 1]" 1 3397 1 43 ILE MG 2 21 ASP H 4.486 3.650 5.322 5.132 5.084 5.233 . 0 0 "[ . 1]" 1 3398 1 14 ALA H 2 20 MET HB2 5.297 4.317 6.277 4.747 4.694 4.837 . 0 0 "[ . 1]" 1 3399 1 20 MET HB2 2 14 ALA H 5.297 4.317 6.277 4.745 4.691 4.834 . 0 0 "[ . 1]" 1 3400 1 14 ALA H 2 20 MET HB3 4.278 3.652 4.904 4.190 3.954 4.376 . 0 0 "[ . 1]" 1 3401 1 20 MET HB3 2 14 ALA H 4.278 3.652 4.904 4.194 3.938 4.403 . 0 0 "[ . 1]" 1 3402 1 14 ALA H 1 15 VAL QG 4.053 3.127 4.979 4.646 4.578 4.737 . 0 0 "[ . 1]" 1 3403 2 14 ALA H 2 15 VAL QG 4.053 3.127 4.979 4.644 4.575 4.738 . 0 0 "[ . 1]" 1 3404 1 19 TYR H 1 20 MET ME 5.819 4.793 6.845 6.245 6.176 6.304 . 0 0 "[ . 1]" 1 3405 1 20 MET ME 2 19 TYR H 5.819 4.793 6.845 6.243 6.176 6.302 . 0 0 "[ . 1]" 1 3406 1 18 ILE MD 1 19 TYR H 2.678 . 6.000 3.325 3.248 3.426 . 0 0 "[ . 1]" 1 3407 2 18 ILE MD 2 19 TYR H 2.678 . 6.000 3.325 3.255 3.427 . 0 0 "[ . 1]" 1 3408 1 24 LEU H 2 43 ILE MG 4.190 . 6.000 6.177 6.129 6.280 0.280 5 0 "[ . 1]" 1 3409 1 43 ILE MG 2 24 LEU H 4.190 . 6.000 6.176 6.126 6.272 0.272 5 0 "[ . 1]" 1 3410 1 13 LYS H 1 14 ALA H 4.428 3.851 5.005 4.155 4.057 4.264 . 0 0 "[ . 1]" 1 3411 1 22 LYS H 2 13 LYS H 4.428 3.851 5.005 4.153 4.045 4.272 . 0 0 "[ . 1]" 1 3412 1 39 LEU HB2 1 42 ALA H 4.041 3.575 4.507 4.363 4.323 4.401 . 0 0 "[ . 1]" 1 3413 2 39 LEU HB2 2 42 ALA H 4.041 3.575 4.507 4.363 4.321 4.401 . 0 0 "[ . 1]" 1 3414 1 11 LYS QG 1 13 LYS H 3.722 3.400 4.044 3.911 3.668 4.099 0.055 7 0 "[ . 1]" 1 3415 2 11 LYS QG 2 13 LYS H 3.722 3.400 4.044 3.910 3.660 4.093 0.049 7 0 "[ . 1]" 1 3416 1 28 LEU MD2 1 42 ALA H 3.016 . 6.000 4.113 4.086 4.135 . 0 0 "[ . 1]" 1 3417 2 28 LEU MD2 2 42 ALA H 3.016 . 6.000 4.113 4.088 4.137 . 0 0 "[ . 1]" 1 3418 1 13 LYS H 1 15 VAL MG1 6.346 3.749 8.943 8.373 8.271 8.431 . 0 0 "[ . 1]" 1 3419 1 18 ILE MG 2 13 LYS H 6.346 3.749 8.943 8.371 8.264 8.430 . 0 0 "[ . 1]" 1 3420 1 50 TYR H 1 50 TYR QE 4.501 . 6.000 5.626 5.549 5.677 . 0 0 "[ . 1]" 1 3421 1 50 TYR QE 2 50 TYR H 4.501 . 6.000 5.626 5.551 5.677 . 0 0 "[ . 1]" 1 3422 1 50 TYR H 1 51 LEU HG 3.745 . 6.000 5.081 4.968 5.203 . 0 0 "[ . 1]" 1 3423 2 50 TYR H 2 51 LEU HG 3.745 . 6.000 5.080 4.970 5.202 . 0 0 "[ . 1]" 1 3424 1 46 ALA MB 1 50 TYR H 2.987 . 6.000 3.630 3.611 3.641 . 0 0 "[ . 1]" 1 3425 1 24 LEU QD 2 50 TYR H 2.987 . 6.000 3.633 3.620 3.646 . 0 0 "[ . 1]" 1 3426 1 27 ARG H 1 29 LYS H 3.489 3.033 3.945 3.494 3.438 3.544 . 0 0 "[ . 1]" 1 3427 2 27 ARG H 2 29 LYS H 3.489 3.033 3.945 3.491 3.436 3.538 . 0 0 "[ . 1]" 1 3428 1 24 LEU HA 1 28 LEU H 3.523 3.068 3.978 3.369 3.357 3.391 . 0 0 "[ . 1]" 1 3429 2 24 LEU HA 2 28 LEU H 3.523 3.068 3.978 3.368 3.357 3.391 . 0 0 "[ . 1]" 1 3430 1 29 LYS H 1 29 LYS QE 6.018 5.334 6.702 5.577 5.513 5.632 . 0 0 "[ . 1]" 1 3431 2 29 LYS H 2 29 LYS QE 6.018 5.334 6.702 5.578 5.515 5.633 . 0 0 "[ . 1]" 1 3432 1 29 LYS QE 1 31 TYR H 4.458 . 6.000 5.560 5.505 5.624 . 0 0 "[ . 1]" 1 3433 2 29 LYS QE 2 31 TYR H 4.458 . 6.000 5.560 5.506 5.621 . 0 0 "[ . 1]" 1 3434 1 28 LEU MD2 1 29 LYS H 2.851 . 6.000 3.469 3.403 3.535 . 0 0 "[ . 1]" 1 3435 2 28 LEU MD2 2 29 LYS H 2.851 . 6.000 3.470 3.400 3.537 . 0 0 "[ . 1]" 1 3436 1 14 ALA H 1 15 VAL H 3.796 3.349 4.243 3.956 3.944 3.966 . 0 0 "[ . 1]" 1 3437 2 14 ALA H 2 15 VAL H 3.796 3.349 4.243 3.958 3.946 3.972 . 0 0 "[ . 1]" 1 3438 1 24 LEU HA 1 27 ARG H 2.892 2.528 3.256 2.659 2.634 2.672 . 0 0 "[ . 1]" 1 3439 2 24 LEU HA 2 27 ARG H 2.892 2.528 3.256 2.659 2.633 2.671 . 0 0 "[ . 1]" 1 3440 1 22 LYS QE 1 27 ARG H 3.917 . 6.000 5.910 5.697 6.074 0.074 4 0 "[ . 1]" 1 3441 1 48 LYS QE 2 27 ARG H 3.917 . 6.000 5.908 5.699 6.078 0.078 4 0 "[ . 1]" 1 3442 1 13 LYS QE 1 15 VAL H 6.243 5.219 7.267 6.411 6.027 6.614 . 0 0 "[ . 1]" 1 3443 1 19 TYR HB2 2 15 VAL H 6.243 5.219 7.267 6.408 6.021 6.621 . 0 0 "[ . 1]" 1 3444 1 20 MET ME 1 27 ARG H 3.600 3.227 3.973 3.963 3.927 3.989 0.016 9 0 "[ . 1]" 1 3445 2 20 MET ME 2 27 ARG H 3.600 3.227 3.973 3.963 3.926 3.995 0.022 9 0 "[ . 1]" 1 3446 1 13 LYS QB 1 15 VAL H 5.078 4.280 5.876 5.126 5.035 5.245 . 0 0 "[ . 1]" 1 3447 1 25 LYS HD2 2 15 VAL H 5.078 4.280 5.876 5.128 5.046 5.251 . 0 0 "[ . 1]" 1 3448 1 22 LYS QG 1 27 ARG H 3.900 . 6.000 4.534 4.479 4.620 . 0 0 "[ . 1]" 1 3449 2 22 LYS QG 2 27 ARG H 3.900 . 6.000 4.532 4.474 4.619 . 0 0 "[ . 1]" 1 3450 1 28 LEU H 1 30 VAL MG2 3.302 . 6.000 4.828 4.703 4.957 . 0 0 "[ . 1]" 1 3451 1 51 LEU HB3 2 28 LEU H 3.302 . 6.000 4.827 4.701 4.956 . 0 0 "[ . 1]" 1 3452 1 46 ALA MB 1 48 LYS H 2.371 . 6.000 2.802 2.632 2.941 . 0 0 "[ . 1]" 1 3453 1 24 LEU QD 2 48 LYS H 2.371 . 6.000 2.806 2.639 2.937 . 0 0 "[ . 1]" 1 3454 1 44 GLU HG3 1 46 ALA H 3.858 3.420 4.296 4.260 4.227 4.298 0.002 8 0 "[ . 1]" 1 3455 2 44 GLU HG3 2 46 ALA H 3.858 3.420 4.296 4.261 4.233 4.294 . 0 0 "[ . 1]" 1 3456 1 22 LYS QD 1 23 ASP H 3.774 3.398 4.150 3.742 3.548 3.912 . 0 0 "[ . 1]" 1 3457 2 22 LYS QD 2 23 ASP H 3.774 3.398 4.150 3.740 3.547 3.915 . 0 0 "[ . 1]" 1 3458 1 18 ILE H 1 18 ILE HG13 2.263 . 2.579 2.140 2.124 2.155 . 0 0 "[ . 1]" 1 3459 2 18 ILE H 2 18 ILE HG13 2.263 . 2.579 2.142 2.124 2.158 . 0 0 "[ . 1]" 1 3460 1 20 MET H 2 13 LYS HA 4.102 3.555 4.649 4.616 4.428 4.701 0.052 8 0 "[ . 1]" 1 3461 1 13 LYS HA 2 20 MET H 4.102 3.555 4.649 4.617 4.435 4.704 0.055 8 0 "[ . 1]" 1 3462 1 19 TYR HB2 1 20 MET H 4.424 3.917 4.931 4.119 4.074 4.149 . 0 0 "[ . 1]" 1 3463 1 16 PHE HB3 2 20 MET H 4.424 3.917 4.931 4.119 4.074 4.149 . 0 0 "[ . 1]" 1 3464 1 18 ILE H 1 18 ILE MD 2.372 2.042 2.702 2.805 2.760 2.825 0.123 1 0 "[ . 1]" 1 3465 2 18 ILE H 2 18 ILE MD 2.372 2.042 2.702 2.803 2.760 2.822 0.120 1 0 "[ . 1]" 1 3466 1 47 ILE H 1 50 TYR QD 5.832 4.741 6.923 4.980 4.952 5.008 . 0 0 "[ . 1]" 1 3467 1 50 TYR QD 2 47 ILE H 5.832 4.741 6.923 4.979 4.947 5.006 . 0 0 "[ . 1]" 1 3468 1 43 ILE HA 1 47 ILE H 3.458 3.020 3.896 3.545 3.517 3.580 . 0 0 "[ . 1]" 1 3469 2 43 ILE HA 2 47 ILE H 3.458 3.020 3.896 3.543 3.519 3.576 . 0 0 "[ . 1]" 1 3470 1 20 MET H 1 20 MET ME 3.222 2.873 3.571 3.703 3.671 3.725 0.154 1 0 "[ . 1]" 1 3471 1 20 MET ME 2 47 ILE H 3.222 2.873 3.571 3.704 3.670 3.726 0.155 1 0 "[ . 1]" 1 3472 1 46 ALA MB 1 47 ILE H 2.013 . 2.316 2.184 2.143 2.224 . 0 0 "[ . 1]" 1 3473 1 46 ALA MB 2 47 ILE H 2.013 . 2.316 2.184 2.147 2.226 . 0 0 "[ . 1]" 1 3474 1 20 MET H 2 15 VAL QG 2.971 . 6.000 3.772 3.738 3.822 . 0 0 "[ . 1]" 1 3475 1 15 VAL QG 2 20 MET H 2.971 . 6.000 3.773 3.743 3.821 . 0 0 "[ . 1]" 1 3476 1 37 LEU H 1 38 GLN H 4.353 3.865 4.841 4.386 4.355 4.406 . 0 0 "[ . 1]" 1 3477 2 37 LEU H 2 38 GLN H 4.353 3.865 4.841 4.386 4.354 4.402 . 0 0 "[ . 1]" 1 3478 1 40 THR HB 1 41 GLN H 2.597 2.261 2.933 2.252 2.230 2.264 0.031 4 0 "[ . 1]" 1 3479 2 40 THR HB 2 41 GLN H 2.597 2.261 2.933 2.252 2.238 2.267 0.023 4 0 "[ . 1]" 1 3480 1 28 LEU MD2 1 41 GLN H 3.872 . 6.000 5.056 5.029 5.080 . 0 0 "[ . 1]" 1 3481 1 18 ILE HG13 2 41 GLN H 3.872 . 6.000 5.056 5.029 5.083 . 0 0 "[ . 1]" 1 3482 1 41 GLN H 1 43 ILE MD 3.189 . 6.000 4.951 4.889 4.984 . 0 0 "[ . 1]" 1 3483 2 41 GLN H 2 43 ILE MD 3.189 . 6.000 4.952 4.881 4.986 . 0 0 "[ . 1]" 1 3484 1 22 LYS QG 1 25 LYS H 3.962 3.515 4.409 4.145 4.122 4.174 . 0 0 "[ . 1]" 1 3485 2 22 LYS QG 2 25 LYS H 3.962 3.515 4.409 4.144 4.119 4.173 . 0 0 "[ . 1]" 1 3486 1 45 GLU H 1 47 ILE H 4.383 3.774 4.992 3.994 3.963 4.043 . 0 0 "[ . 1]" 1 3487 2 45 GLU H 2 47 ILE H 4.383 3.774 4.992 3.996 3.963 4.047 . 0 0 "[ . 1]" 1 3488 1 31 TYR QE 1 45 GLU H 7.430 5.646 9.214 5.595 5.517 5.661 0.129 10 0 "[ . 1]" 1 3489 2 31 TYR QE 2 45 GLU H 7.430 5.646 9.214 5.595 5.525 5.664 0.121 10 0 "[ . 1]" 1 3490 1 45 GLU H 1 48 LYS HB2 4.195 3.628 4.762 4.810 4.755 4.848 0.086 6 0 "[ . 1]" 1 3491 1 20 MET ME 2 45 GLU H 4.195 3.628 4.762 4.812 4.765 4.849 0.087 6 0 "[ . 1]" 1 3492 1 44 GLU HB2 1 45 GLU H 2.690 . 6.000 2.179 2.084 2.243 . 0 0 "[ . 1]" 1 3493 2 44 GLU HB2 2 45 GLU H 2.690 . 6.000 2.179 2.085 2.241 . 0 0 "[ . 1]" 1 3494 1 28 LEU MD2 1 45 GLU H 3.044 . 6.000 3.920 3.780 4.017 . 0 0 "[ . 1]" 1 3495 1 24 LEU QD 2 45 GLU H 3.044 . 6.000 3.922 3.783 4.023 . 0 0 "[ . 1]" 1 3496 1 43 ILE MD 1 45 GLU H 3.093 . 6.000 4.412 4.383 4.485 . 0 0 "[ . 1]" 1 3497 2 43 ILE MD 2 45 GLU H 3.093 . 6.000 4.414 4.385 4.488 . 0 0 "[ . 1]" 1 3498 1 44 GLU H 1 47 ILE H 5.002 4.155 5.849 4.455 4.423 4.480 . 0 0 "[ . 1]" 1 3499 2 44 GLU H 2 47 ILE H 5.002 4.155 5.849 4.455 4.422 4.483 . 0 0 "[ . 1]" 1 3500 1 43 ILE H 1 44 GLU H 2.399 2.112 2.686 2.450 2.433 2.471 . 0 0 "[ . 1]" 1 3501 2 43 ILE H 2 44 GLU H 2.399 2.112 2.686 2.450 2.431 2.478 . 0 0 "[ . 1]" 1 3502 1 42 ALA HA 1 44 GLU H 3.929 3.418 4.440 4.240 4.204 4.265 . 0 0 "[ . 1]" 1 3503 2 42 ALA HA 2 44 GLU H 3.929 3.418 4.440 4.240 4.195 4.262 . 0 0 "[ . 1]" 1 3504 1 41 GLN QG 1 44 GLU H 4.365 3.910 4.820 4.819 4.759 4.868 0.048 4 0 "[ . 1]" 1 3505 2 41 GLN QG 2 44 GLU H 4.365 3.910 4.820 4.818 4.757 4.866 0.046 4 0 "[ . 1]" 1 3506 1 39 LEU MD1 1 44 GLU H 2.907 . 6.000 3.793 3.698 3.854 . 0 0 "[ . 1]" 1 3507 1 24 LEU QD 2 44 GLU H 2.907 . 6.000 3.793 3.694 3.857 . 0 0 "[ . 1]" 1 3508 1 43 ILE MG 1 49 GLU H 4.588 3.542 5.634 5.331 5.209 5.429 . 0 0 "[ . 1]" 1 3509 2 43 ILE MG 2 49 GLU H 4.588 3.542 5.634 5.329 5.204 5.431 . 0 0 "[ . 1]" 1 3510 1 46 ALA H 1 49 GLU H 4.302 3.703 4.901 3.967 3.888 4.067 . 0 0 "[ . 1]" 1 3511 2 46 ALA H 2 49 GLU H 4.302 3.703 4.901 3.966 3.890 4.064 . 0 0 "[ . 1]" 1 3512 1 49 GLU H 1 50 TYR HA 5.409 4.611 6.207 4.912 4.857 4.986 . 0 0 "[ . 1]" 1 3513 1 50 TYR HA 2 49 GLU H 5.409 4.611 6.207 4.910 4.855 4.982 . 0 0 "[ . 1]" 1 3514 1 49 GLU H 1 50 TYR QB 3.997 3.552 4.442 4.092 3.989 4.232 . 0 0 "[ . 1]" 1 3515 1 50 TYR QB 2 49 GLU H 3.997 3.552 4.442 4.089 3.986 4.220 . 0 0 "[ . 1]" 1 3516 1 44 GLU HG2 1 49 GLU H 7.284 5.799 8.769 7.600 7.401 7.718 . 0 0 "[ . 1]" 1 3517 1 54 ARG HD2 2 49 GLU H 7.284 5.799 8.769 7.600 7.404 7.722 . 0 0 "[ . 1]" 1 3518 1 49 GLU H 1 53 LYS HG2 6.077 5.090 7.064 6.696 6.363 6.941 . 0 0 "[ . 1]" 1 3519 1 53 LYS HG2 2 49 GLU H 6.077 5.090 7.064 6.695 6.367 6.937 . 0 0 "[ . 1]" 1 3520 1 46 ALA MB 1 49 GLU H 3.571 3.036 4.106 4.067 3.955 4.156 0.050 7 0 "[ . 1]" 1 3521 1 24 LEU QD 2 49 GLU H 3.571 3.036 4.106 4.067 3.951 4.156 0.050 7 0 "[ . 1]" 1 3522 1 52 GLN HA 1 53 LYS H 2.714 2.417 3.011 2.735 2.727 2.749 . 0 0 "[ . 1]" 1 3523 2 52 GLN HA 2 53 LYS H 2.714 2.417 3.011 2.735 2.729 2.747 . 0 0 "[ . 1]" 1 3524 1 29 LYS HA 1 32 CYS H 2.769 2.413 3.125 2.687 2.682 2.695 . 0 0 "[ . 1]" 1 3525 2 29 LYS HA 2 32 CYS H 2.769 2.413 3.125 2.687 2.681 2.696 . 0 0 "[ . 1]" 1 3526 1 52 GLN HB3 1 53 LYS H 3.072 2.743 3.401 3.343 3.268 3.430 0.029 10 0 "[ . 1]" 1 3527 2 52 GLN HB3 2 53 LYS H 3.072 2.743 3.401 3.343 3.263 3.428 0.027 10 0 "[ . 1]" 1 3528 1 32 CYS H 1 34 LYS QB 5.238 4.515 5.961 4.755 4.703 4.838 . 0 0 "[ . 1]" 1 3529 1 51 LEU HG 2 32 CYS H 5.238 4.515 5.961 4.754 4.703 4.837 . 0 0 "[ . 1]" 1 3530 1 28 LEU HG 1 32 CYS H 4.049 3.515 4.583 4.593 4.530 4.623 0.040 8 0 "[ . 1]" 1 3531 2 28 LEU HG 2 32 CYS H 4.049 3.515 4.583 4.594 4.529 4.617 0.034 8 0 "[ . 1]" 1 3532 1 51 LEU MD2 1 53 LYS H 5.300 4.569 6.031 4.800 4.705 4.906 . 0 0 "[ . 1]" 1 3533 2 51 LEU MD2 2 53 LYS H 5.300 4.569 6.031 4.799 4.708 4.899 . 0 0 "[ . 1]" 1 3534 1 31 TYR QE 1 37 LEU H 4.704 4.002 5.406 4.379 4.295 4.433 . 0 0 "[ . 1]" 1 3535 2 31 TYR QE 2 37 LEU H 4.704 4.002 5.406 4.380 4.289 4.439 . 0 0 "[ . 1]" 1 3536 1 31 TYR HA 1 37 LEU H 3.906 . 6.000 4.846 4.803 4.865 . 0 0 "[ . 1]" 1 3537 2 31 TYR HA 2 37 LEU H 3.906 . 6.000 4.845 4.802 4.867 . 0 0 "[ . 1]" 1 3538 1 49 GLU QB 1 51 LEU H 4.137 . 6.000 5.019 4.970 5.056 . 0 0 "[ . 1]" 1 3539 1 49 GLU QB 2 51 LEU H 4.137 . 6.000 5.018 4.971 5.058 . 0 0 "[ . 1]" 1 3540 1 33 ALA MB 1 35 ASN HD22 4.342 . 6.000 5.449 5.409 5.508 . 0 0 "[ . 1]" 1 3541 2 33 ALA MB 2 35 ASN HD22 4.342 . 6.000 5.451 5.407 5.513 . 0 0 "[ . 1]" 1 3542 1 37 LEU H 1 37 LEU MD1 2.497 2.120 2.874 2.852 2.704 2.916 0.042 7 0 "[ . 1]" 1 3543 1 28 LEU MD2 2 51 LEU H 2.497 2.120 2.874 2.854 2.705 2.920 0.046 7 0 "[ . 1]" 1 3544 1 31 TYR HB2 1 34 LYS H 5.643 4.828 6.458 4.772 4.736 4.798 0.092 8 0 "[ . 1]" 1 3545 2 31 TYR HB2 2 34 LYS H 5.643 4.828 6.458 4.771 4.734 4.798 0.094 8 0 "[ . 1]" 1 3546 1 32 CYS HB3 1 34 LYS H 5.292 4.695 5.889 4.975 4.693 5.211 0.002 1 0 "[ . 1]" 1 3547 2 32 CYS HB3 2 34 LYS H 5.292 4.695 5.889 4.974 4.689 5.209 0.006 1 0 "[ . 1]" 1 3548 1 33 ALA MB 1 36 ASN H 3.918 3.448 4.388 3.945 3.901 3.984 . 0 0 "[ . 1]" 1 3549 2 33 ALA MB 2 36 ASN H 3.918 3.448 4.388 3.943 3.902 3.982 . 0 0 "[ . 1]" 1 3550 1 30 VAL MG1 1 36 ASN H 3.850 . 6.000 5.529 5.419 5.589 . 0 0 "[ . 1]" 1 3551 2 30 VAL MG1 2 36 ASN H 3.850 . 6.000 5.527 5.427 5.584 . 0 0 "[ . 1]" 1 3552 1 51 LEU H 1 54 ARG H 4.138 3.710 4.566 4.374 4.315 4.397 . 0 0 "[ . 1]" 1 3553 2 51 LEU H 2 54 ARG H 4.138 3.710 4.566 4.374 4.311 4.397 . 0 0 "[ . 1]" 1 3554 1 50 TYR QB 1 54 ARG H 5.830 4.938 6.722 4.961 4.870 5.062 0.068 5 0 "[ . 1]" 1 3555 2 50 TYR QB 2 54 ARG H 5.830 4.938 6.722 4.960 4.868 5.063 0.070 5 0 "[ . 1]" 1 3556 1 53 LYS HG3 1 54 ARG H 3.510 . 6.000 4.369 4.313 4.392 . 0 0 "[ . 1]" 1 3557 2 53 LYS HG3 2 54 ARG H 3.510 . 6.000 4.369 4.315 4.391 . 0 0 "[ . 1]" 1 3558 1 23 ASP H 1 26 THR H 4.958 . 6.000 3.854 3.798 3.907 . 0 0 "[ . 1]" 1 3559 2 23 ASP H 2 26 THR H 4.958 . 6.000 3.855 3.793 3.909 . 0 0 "[ . 1]" 1 3560 1 25 LYS H 1 26 THR H 2.818 . 6.000 2.229 2.190 2.264 . 0 0 "[ . 1]" 1 3561 2 25 LYS H 2 26 THR H 2.818 . 6.000 2.229 2.191 2.267 . 0 0 "[ . 1]" 1 3562 1 20 MET ME 1 26 THR H 3.477 3.119 3.835 4.038 3.895 4.096 0.261 10 0 "[ . 1]" 1 3563 2 20 MET ME 2 26 THR H 3.477 3.119 3.835 4.039 3.896 4.096 0.261 3 0 "[ . 1]" 1 3564 1 40 THR H 1 43 ILE H 5.013 4.082 5.944 4.109 4.091 4.135 . 0 0 "[ . 1]" 1 3565 2 40 THR H 2 43 ILE H 5.013 4.082 5.944 4.109 4.092 4.133 . 0 0 "[ . 1]" 1 3566 1 55 ASN H 2 32 CYS HA 7.182 5.581 8.783 8.547 8.442 8.638 . 0 0 "[ . 1]" 1 3567 1 32 CYS HA 2 55 ASN H 7.182 5.581 8.783 8.548 8.445 8.633 . 0 0 "[ . 1]" 1 3568 1 55 ASN H 1 55 ASN HB2 3.537 3.156 3.918 3.638 3.568 3.719 . 0 0 "[ . 1]" 1 3569 2 55 ASN H 2 55 ASN HB2 3.537 3.156 3.918 3.638 3.574 3.719 . 0 0 "[ . 1]" 1 3570 1 41 GLN HB3 1 43 ILE H 4.219 3.742 4.696 4.467 4.428 4.488 . 0 0 "[ . 1]" 1 3571 2 41 GLN HB3 2 43 ILE H 4.219 3.742 4.696 4.466 4.425 4.491 . 0 0 "[ . 1]" 1 3572 1 51 LEU HG 1 55 ASN H 4.662 4.080 5.244 5.251 5.149 5.383 0.139 5 0 "[ . 1]" 1 3573 2 51 LEU HG 2 55 ASN H 4.662 4.080 5.244 5.252 5.150 5.381 0.137 5 0 "[ . 1]" 1 3574 1 39 LEU MD1 1 43 ILE H 3.350 2.850 3.850 3.360 3.344 3.387 . 0 0 "[ . 1]" 1 3575 2 39 LEU MD1 2 43 ILE H 3.350 2.850 3.850 3.360 3.337 3.386 . 0 0 "[ . 1]" 1 3576 1 28 LEU MD2 1 43 ILE H 4.100 3.366 4.834 3.395 3.369 3.423 . 0 0 "[ . 1]" 1 3577 2 28 LEU MD2 2 43 ILE H 4.100 3.366 4.834 3.395 3.367 3.425 . 0 0 "[ . 1]" 1 3578 1 31 TYR HA 1 35 ASN H 3.311 2.913 3.709 3.296 3.267 3.330 . 0 0 "[ . 1]" 1 3579 2 31 TYR HA 2 35 ASN H 3.311 2.913 3.709 3.295 3.267 3.329 . 0 0 "[ . 1]" 1 3580 1 30 VAL MG1 1 35 ASN H 3.103 . 6.000 4.694 4.560 4.739 . 0 0 "[ . 1]" 1 3581 2 30 VAL MG1 2 35 ASN H 3.103 . 6.000 4.693 4.568 4.735 . 0 0 "[ . 1]" 1 3582 1 55 ASN HD21 1 56 GLY H 3.744 3.289 4.199 3.521 3.410 3.668 . 0 0 "[ . 1]" 1 3583 1 31 TYR QE 2 56 GLY H 3.744 3.289 4.199 3.525 3.423 3.650 . 0 0 "[ . 1]" 1 3584 1 52 GLN HA 1 56 GLY H 3.514 . 6.000 4.900 4.604 5.134 . 0 0 "[ . 1]" 1 3585 1 31 TYR HA 2 56 GLY H 3.514 . 6.000 4.902 4.595 5.139 . 0 0 "[ . 1]" 1 3586 1 51 LEU HB2 1 56 GLY H 4.049 3.590 4.508 4.577 4.546 4.618 0.110 10 0 "[ . 1]" 1 3587 2 51 LEU HB2 2 56 GLY H 4.049 3.590 4.508 4.579 4.551 4.615 0.107 10 0 "[ . 1]" 1 3588 1 51 LEU HB3 1 56 GLY H 3.845 3.389 4.301 4.195 4.131 4.261 . 0 0 "[ . 1]" 1 3589 2 51 LEU HB3 2 56 GLY H 3.845 3.389 4.301 4.196 4.127 4.264 . 0 0 "[ . 1]" 1 3590 1 54 ARG HD3 1 56 GLY H 6.683 5.832 7.534 6.280 6.006 6.695 . 0 0 "[ . 1]" 1 3591 1 34 LYS HG3 2 56 GLY H 6.683 5.832 7.534 6.280 6.006 6.707 . 0 0 "[ . 1]" 1 3592 1 56 GLY H 2 24 LEU QD 3.851 . 6.000 5.652 5.495 5.809 . 0 0 "[ . 1]" 1 3593 1 24 LEU QD 2 56 GLY H 3.851 . 6.000 5.656 5.505 5.810 . 0 0 "[ . 1]" 1 3594 1 49 GLU HA 1 52 GLN HE22 4.620 4.025 5.215 4.289 3.974 5.232 0.051 9 0 "[ . 1]" 1 3595 1 24 LEU HA 2 52 GLN HE22 4.620 4.025 5.215 4.289 3.967 5.242 0.058 9 0 "[ . 1]" 1 3596 1 39 LEU QD 1 40 THR H 2.985 . 6.000 3.871 3.844 3.916 . 0 0 "[ . 1]" 1 3597 2 39 LEU QD 2 40 THR H 2.985 . 6.000 3.871 3.840 3.916 . 0 0 "[ . 1]" 1 3598 1 40 THR H 1 43 ILE MD 3.011 . 6.000 3.914 3.871 3.952 . 0 0 "[ . 1]" 1 3599 1 18 ILE MD 2 40 THR H 3.011 . 6.000 3.915 3.867 3.947 . 0 0 "[ . 1]" 1 3600 1 54 ARG HB2 1 54 ARG HE 4.714 4.159 5.269 4.127 4.034 4.241 0.125 9 0 "[ . 1]" 1 3601 1 45 GLU QB 2 54 ARG HE 4.714 4.159 5.269 4.126 4.035 4.243 0.124 9 0 "[ . 1]" 1 3602 1 24 LEU QD 1 28 LEU H 2.906 2.453 3.359 3.394 3.207 3.667 0.308 9 0 "[ . 1]" 1 3603 2 24 LEU QD 2 28 LEU H 2.906 2.453 3.359 3.392 3.204 3.659 0.300 9 0 "[ . 1]" 1 3604 1 22 LYS H 1 22 LYS QD 5.194 . 6.000 4.087 3.995 4.184 . 0 0 "[ . 1]" 1 3605 2 22 LYS H 2 22 LYS QD 5.194 . 6.000 4.086 3.995 4.184 . 0 0 "[ . 1]" 1 3606 1 22 LYS H 1 26 THR MG 4.032 . 6.000 5.628 5.445 5.798 . 0 0 "[ . 1]" 1 3607 1 13 LYS QG 2 22 LYS H 4.032 . 6.000 5.631 5.459 5.802 . 0 0 "[ . 1]" 1 3608 1 22 LYS H 1 25 LYS QB 5.458 . 6.000 4.499 4.247 4.695 . 0 0 "[ . 1]" 1 3609 1 12 GLN HB3 2 22 LYS H 5.458 . 6.000 4.500 4.250 4.695 . 0 0 "[ . 1]" 1 3610 1 19 TYR H 1 22 LYS QB 8.815 7.004 10.626 7.384 7.278 7.501 . 0 0 "[ . 1]" 1 3611 1 39 LEU HB2 2 19 TYR H 8.815 7.004 10.626 7.381 7.278 7.479 . 0 0 "[ . 1]" 1 3612 1 16 PHE H 1 17 GLY HA3 2.738 . 6.000 4.464 4.402 4.509 . 0 0 "[ . 1]" 1 3613 1 17 GLY HA3 2 16 PHE H 2.738 . 6.000 4.465 4.411 4.509 . 0 0 "[ . 1]" 1 3614 1 19 TYR HB3 1 20 MET H 3.798 3.383 4.213 3.777 3.702 3.819 . 0 0 "[ . 1]" 1 3615 1 44 GLU HG2 2 20 MET H 3.798 3.383 4.213 3.777 3.702 3.816 . 0 0 "[ . 1]" 1 3616 1 41 GLN QG 1 45 GLU H 3.598 3.268 3.928 3.420 3.328 3.498 . 0 0 "[ . 1]" 1 3617 2 41 GLN QG 2 45 GLU H 3.598 3.268 3.928 3.418 3.327 3.484 . 0 0 "[ . 1]" 1 3618 1 20 MET HG2 1 25 LYS H 4.685 4.164 5.206 4.139 4.039 4.382 0.125 3 0 "[ . 1]" 1 3619 2 20 MET HG2 2 25 LYS H 4.685 4.164 5.206 4.137 4.045 4.373 0.119 8 0 "[ . 1]" 1 3620 1 25 LYS H 1 43 ILE MD 2.661 . 6.000 4.504 4.358 4.623 . 0 0 "[ . 1]" 1 3621 1 47 ILE MG 2 25 LYS H 2.661 . 6.000 4.502 4.359 4.616 . 0 0 "[ . 1]" 1 3622 1 27 ARG HB2 1 30 VAL H 3.915 . 6.000 5.089 5.028 5.167 . 0 0 "[ . 1]" 1 3623 2 27 ARG HB2 2 30 VAL H 3.915 . 6.000 5.089 5.032 5.162 . 0 0 "[ . 1]" 1 3624 1 29 LYS QG 1 32 CYS H 3.639 3.209 4.069 3.997 3.958 4.018 . 0 0 "[ . 1]" 1 3625 2 29 LYS QG 2 32 CYS H 3.639 3.209 4.069 3.997 3.965 4.021 . 0 0 "[ . 1]" 1 3626 1 34 LYS HG3 1 35 ASN H 3.163 2.803 3.523 3.863 3.830 3.911 0.388 10 0 "[ . 1]" 1 3627 2 34 LYS HG3 2 35 ASN H 3.163 2.803 3.523 3.862 3.823 3.910 0.387 10 0 "[ . 1]" 1 3628 1 34 LYS HG3 1 36 ASN H 4.003 . 6.000 5.256 5.170 5.331 . 0 0 "[ . 1]" 1 3629 2 34 LYS HG3 2 36 ASN H 4.003 . 6.000 5.255 5.169 5.329 . 0 0 "[ . 1]" 1 3630 1 37 LEU H 1 38 GLN HG2 5.537 4.832 6.242 6.065 5.970 6.142 . 0 0 "[ . 1]" 1 3631 2 37 LEU H 2 38 GLN HG2 5.537 4.832 6.242 6.066 5.975 6.143 . 0 0 "[ . 1]" 1 3632 1 32 CYS HB3 1 37 LEU H 3.450 3.044 3.856 3.708 3.614 3.828 . 0 0 "[ . 1]" 1 3633 2 32 CYS HB3 2 37 LEU H 3.450 3.044 3.856 3.706 3.607 3.827 . 0 0 "[ . 1]" 1 3634 1 32 CYS HA 1 39 LEU H 5.856 4.910 6.802 5.025 4.990 5.054 . 0 0 "[ . 1]" 1 3635 2 32 CYS HA 2 39 LEU H 5.856 4.910 6.802 5.026 4.993 5.056 . 0 0 "[ . 1]" 1 3636 1 40 THR H 1 41 GLN HA 3.467 . 6.000 5.040 5.021 5.056 . 0 0 "[ . 1]" 1 3637 1 18 ILE HA 2 40 THR H 3.467 . 6.000 5.042 5.018 5.061 . 0 0 "[ . 1]" 1 3638 1 37 LEU HB2 1 42 ALA H 3.442 . 6.000 4.626 4.426 4.753 . 0 0 "[ . 1]" 1 3639 2 37 LEU HB2 2 42 ALA H 3.442 . 6.000 4.626 4.429 4.752 . 0 0 "[ . 1]" 1 3640 1 38 GLN QB 1 43 ILE H 3.101 . 6.000 4.228 4.175 4.290 . 0 0 "[ . 1]" 1 3641 1 47 ILE HB 2 43 ILE H 3.101 . 6.000 4.227 4.173 4.281 . 0 0 "[ . 1]" 1 3642 1 20 MET ME 1 43 ILE H 2.303 . 6.000 5.596 5.475 5.662 . 0 0 "[ . 1]" 1 3643 1 20 MET ME 2 43 ILE H 2.303 . 6.000 5.596 5.483 5.666 . 0 0 "[ . 1]" 1 3644 1 43 ILE H 2 18 ILE MG 2.449 . 6.000 4.254 4.232 4.293 . 0 0 "[ . 1]" 1 3645 1 18 ILE MG 2 43 ILE H 2.449 . 6.000 4.253 4.225 4.288 . 0 0 "[ . 1]" 1 3646 1 28 LEU HG 1 44 GLU H 3.288 . 6.000 4.248 4.172 4.370 . 0 0 "[ . 1]" 1 3647 1 20 MET ME 2 44 GLU H 3.288 . 6.000 4.249 4.176 4.366 . 0 0 "[ . 1]" 1 3648 1 44 GLU H 1 47 ILE MD 2.851 . 6.000 5.084 5.049 5.107 . 0 0 "[ . 1]" 1 3649 1 18 ILE MG 2 44 GLU H 2.851 . 6.000 5.084 5.044 5.111 . 0 0 "[ . 1]" 1 3650 1 44 GLU HG3 1 45 GLU H 3.929 3.494 4.364 3.989 3.956 4.022 . 0 0 "[ . 1]" 1 3651 2 44 GLU HG3 2 45 GLU H 3.929 3.494 4.364 3.989 3.953 4.022 . 0 0 "[ . 1]" 1 3652 1 45 GLU H 1 47 ILE MD 3.777 . 6.000 5.946 5.917 6.010 0.010 10 0 "[ . 1]" 1 3653 1 18 ILE MG 2 45 GLU H 3.777 . 6.000 5.948 5.918 6.013 0.013 10 0 "[ . 1]" 1 3654 1 46 ALA HA 1 50 TYR H 4.018 3.565 4.471 4.110 4.033 4.213 . 0 0 "[ . 1]" 1 3655 1 46 ALA HA 2 50 TYR H 4.018 3.565 4.471 4.110 4.031 4.212 . 0 0 "[ . 1]" 1 3656 1 47 ILE HG12 1 50 TYR H 3.946 3.516 4.376 4.315 4.216 4.401 0.025 1 0 "[ . 1]" 1 3657 1 53 LYS QD 2 50 TYR H 3.946 3.516 4.376 4.315 4.214 4.401 0.025 1 0 "[ . 1]" 1 3658 1 50 TYR H 1 53 LYS HG2 5.614 4.730 6.498 6.346 6.272 6.482 . 0 0 "[ . 1]" 1 3659 1 53 LYS HG2 2 50 TYR H 5.614 4.730 6.498 6.345 6.273 6.480 . 0 0 "[ . 1]" 1 3660 1 51 LEU HB2 1 55 ASN H 5.037 4.346 5.728 4.942 4.886 4.987 . 0 0 "[ . 1]" 1 3661 2 51 LEU HB2 2 55 ASN H 5.037 4.346 5.728 4.942 4.889 4.987 . 0 0 "[ . 1]" 1 3662 1 25 LYS QB 1 27 ARG H 3.219 . 6.000 4.111 4.063 4.139 . 0 0 "[ . 1]" 1 3663 2 25 LYS QB 2 27 ARG H 3.219 . 6.000 4.111 4.061 4.138 . 0 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 54 _Distance_constraint_stats_list.Viol_count 19 _Distance_constraint_stats_list.Viol_total 3.817 _Distance_constraint_stats_list.Viol_max 0.032 _Distance_constraint_stats_list.Viol_rms 0.0040 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0201 _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 12 GLN 0.018 0.018 3 0 "[ . 1]" 1 14 ALA 0.000 0.000 . 0 "[ . 1]" 1 16 PHE 0.000 0.000 . 0 "[ . 1]" 1 18 ILE 0.000 0.000 . 0 "[ . 1]" 1 20 MET 0.000 0.000 . 0 "[ . 1]" 1 21 ASP 0.027 0.015 9 0 "[ . 1]" 1 22 LYS 0.030 0.016 7 0 "[ . 1]" 1 23 ASP 0.000 0.000 . 0 "[ . 1]" 1 24 LEU 0.000 0.000 . 0 "[ . 1]" 1 25 LYS 0.027 0.015 9 0 "[ . 1]" 1 26 THR 0.000 0.000 . 0 "[ . 1]" 1 27 ARG 0.000 0.000 . 0 "[ . 1]" 1 28 LEU 0.000 0.000 . 0 "[ . 1]" 1 29 LYS 0.000 0.000 . 0 "[ . 1]" 1 30 VAL 0.000 0.000 . 0 "[ . 1]" 1 31 TYR 0.000 0.000 . 0 "[ . 1]" 1 32 CYS 0.000 0.000 . 0 "[ . 1]" 1 33 ALA 0.000 0.000 . 0 "[ . 1]" 1 34 LYS 0.000 0.000 . 0 "[ . 1]" 1 35 ASN 0.000 0.000 . 0 "[ . 1]" 1 39 LEU 0.000 0.000 . 0 "[ . 1]" 1 40 THR 0.000 0.000 . 0 "[ . 1]" 1 41 GLN 0.000 0.000 . 0 "[ . 1]" 1 42 ALA 0.000 0.000 . 0 "[ . 1]" 1 43 ILE 0.000 0.000 . 0 "[ . 1]" 1 44 GLU 0.000 0.000 . 0 "[ . 1]" 1 45 GLU 0.000 0.000 . 0 "[ . 1]" 1 46 ALA 0.019 0.019 1 0 "[ . 1]" 1 47 ILE 0.000 0.000 . 0 "[ . 1]" 1 48 LYS 0.128 0.032 10 0 "[ . 1]" 1 49 GLU 0.000 0.000 . 0 "[ . 1]" 1 50 TYR 0.019 0.019 1 0 "[ . 1]" 1 51 LEU 0.000 0.000 . 0 "[ . 1]" 1 52 GLN 0.128 0.032 10 0 "[ . 1]" 1 53 LYS 0.000 0.000 . 0 "[ . 1]" 1 55 ASN 0.000 0.000 . 0 "[ . 1]" 1 56 GLY 0.000 0.000 . 0 "[ . 1]" 2 12 GLN 0.030 0.016 7 0 "[ . 1]" 2 14 ALA 0.000 0.000 . 0 "[ . 1]" 2 16 PHE 0.000 0.000 . 0 "[ . 1]" 2 18 ILE 0.000 0.000 . 0 "[ . 1]" 2 20 MET 0.000 0.000 . 0 "[ . 1]" 2 21 ASP 0.029 0.016 8 0 "[ . 1]" 2 22 LYS 0.018 0.018 3 0 "[ . 1]" 2 23 ASP 0.000 0.000 . 0 "[ . 1]" 2 24 LEU 0.000 0.000 . 0 "[ . 1]" 2 25 LYS 0.029 0.016 8 0 "[ . 1]" 2 26 THR 0.000 0.000 . 0 "[ . 1]" 2 27 ARG 0.000 0.000 . 0 "[ . 1]" 2 28 LEU 0.000 0.000 . 0 "[ . 1]" 2 29 LYS 0.000 0.000 . 0 "[ . 1]" 2 30 VAL 0.000 0.000 . 0 "[ . 1]" 2 31 TYR 0.000 0.000 . 0 "[ . 1]" 2 32 CYS 0.000 0.000 . 0 "[ . 1]" 2 33 ALA 0.000 0.000 . 0 "[ . 1]" 2 34 LYS 0.000 0.000 . 0 "[ . 1]" 2 35 ASN 0.000 0.000 . 0 "[ . 1]" 2 39 LEU 0.000 0.000 . 0 "[ . 1]" 2 40 THR 0.000 0.000 . 0 "[ . 1]" 2 41 GLN 0.000 0.000 . 0 "[ . 1]" 2 42 ALA 0.000 0.000 . 0 "[ . 1]" 2 43 ILE 0.000 0.000 . 0 "[ . 1]" 2 44 GLU 0.000 0.000 . 0 "[ . 1]" 2 45 GLU 0.000 0.000 . 0 "[ . 1]" 2 46 ALA 0.015 0.015 1 0 "[ . 1]" 2 47 ILE 0.000 0.000 . 0 "[ . 1]" 2 48 LYS 0.116 0.032 10 0 "[ . 1]" 2 49 GLU 0.000 0.000 . 0 "[ . 1]" 2 50 TYR 0.015 0.015 1 0 "[ . 1]" 2 51 LEU 0.000 0.000 . 0 "[ . 1]" 2 52 GLN 0.116 0.032 10 0 "[ . 1]" 2 53 LYS 0.000 0.000 . 0 "[ . 1]" 2 55 ASN 0.000 0.000 . 0 "[ . 1]" 2 56 GLY 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 14 ALA H 2 20 MET O 2.000 . 2.400 1.771 1.675 1.882 . 0 0 "[ . 1]" 2 2 1 20 MET O 2 14 ALA H 2.000 . 2.400 1.768 1.650 1.879 . 0 0 "[ . 1]" 2 3 1 16 PHE H 2 18 ILE O 2.000 . 2.400 2.214 2.141 2.259 . 0 0 "[ . 1]" 2 4 1 18 ILE O 2 16 PHE H 2.000 . 2.400 2.210 2.134 2.262 . 0 0 "[ . 1]" 2 5 1 18 ILE H 2 16 PHE O 2.000 . 2.400 2.225 2.112 2.357 . 0 0 "[ . 1]" 2 6 1 16 PHE O 2 18 ILE H 2.000 . 2.400 2.226 2.110 2.360 . 0 0 "[ . 1]" 2 7 1 22 LYS H 2 12 GLN O 2.000 . 2.400 2.088 1.891 2.416 0.016 7 0 "[ . 1]" 2 8 1 12 GLN O 2 22 LYS H 2.000 . 2.400 2.090 1.912 2.418 0.018 3 0 "[ . 1]" 2 9 1 21 ASP O 1 25 LYS H 2.000 . 2.400 2.296 2.144 2.415 0.015 9 0 "[ . 1]" 2 10 1 22 LYS O 1 26 THR H 2.000 . 2.400 1.659 1.615 1.734 . 0 0 "[ . 1]" 2 11 1 23 ASP O 1 27 ARG H 2.000 . 2.400 1.970 1.841 2.135 . 0 0 "[ . 1]" 2 12 1 24 LEU O 1 28 LEU H 2.000 . 2.400 2.153 2.061 2.251 . 0 0 "[ . 1]" 2 13 1 25 LYS O 1 29 LYS H 2.000 . 2.400 2.001 1.945 2.061 . 0 0 "[ . 1]" 2 14 1 26 THR O 1 30 VAL H 2.000 . 2.400 2.023 1.963 2.166 . 0 0 "[ . 1]" 2 15 1 27 ARG O 1 31 TYR H 2.000 . 2.400 2.190 2.039 2.317 . 0 0 "[ . 1]" 2 16 1 28 LEU O 1 32 CYS H 2.000 . 2.400 1.911 1.893 1.928 . 0 0 "[ . 1]" 2 17 1 29 LYS O 1 33 ALA H 2.000 . 2.400 2.150 2.046 2.283 . 0 0 "[ . 1]" 2 18 1 30 VAL O 1 34 LYS H 2.000 . 2.400 1.916 1.887 1.992 . 0 0 "[ . 1]" 2 19 1 39 LEU O 1 43 ILE H 2.000 . 2.400 1.984 1.919 2.042 . 0 0 "[ . 1]" 2 20 1 40 THR O 1 44 GLU H 2.000 . 2.400 1.866 1.828 1.901 . 0 0 "[ . 1]" 2 21 1 41 GLN O 1 45 GLU H 2.000 . 2.400 1.960 1.867 1.999 . 0 0 "[ . 1]" 2 22 1 42 ALA O 1 46 ALA H 2.000 . 2.400 1.823 1.771 1.865 . 0 0 "[ . 1]" 2 23 1 43 ILE O 1 47 ILE H 2.000 . 2.400 1.699 1.659 1.723 . 0 0 "[ . 1]" 2 24 1 44 GLU O 1 48 LYS H 2.000 . 2.400 2.006 1.861 2.144 . 0 0 "[ . 1]" 2 25 1 45 GLU O 1 49 GLU H 2.000 . 2.400 1.944 1.852 2.025 . 0 0 "[ . 1]" 2 26 1 46 ALA O 1 50 TYR H 2.000 . 2.400 2.300 2.210 2.419 0.019 1 0 "[ . 1]" 2 27 1 47 ILE O 1 51 LEU H 2.000 . 2.400 2.277 2.199 2.371 . 0 0 "[ . 1]" 2 28 1 48 LYS O 1 52 GLN H 2.000 . 2.400 2.354 2.229 2.432 0.032 10 0 "[ . 1]" 2 29 1 49 GLU O 1 53 LYS H 2.000 . 2.400 2.087 1.881 2.367 . 0 0 "[ . 1]" 2 30 2 21 ASP O 2 25 LYS H 2.000 . 2.400 2.297 2.148 2.416 0.016 8 0 "[ . 1]" 2 31 2 22 LYS O 2 26 THR H 2.000 . 2.400 1.658 1.613 1.732 . 0 0 "[ . 1]" 2 32 2 23 ASP O 2 27 ARG H 2.000 . 2.400 1.972 1.839 2.138 . 0 0 "[ . 1]" 2 33 2 24 LEU O 2 28 LEU H 2.000 . 2.400 2.151 2.060 2.241 . 0 0 "[ . 1]" 2 34 2 25 LYS O 2 29 LYS H 2.000 . 2.400 2.003 1.940 2.061 . 0 0 "[ . 1]" 2 35 2 26 THR O 2 30 VAL H 2.000 . 2.400 2.021 1.958 2.171 . 0 0 "[ . 1]" 2 36 2 27 ARG O 2 31 TYR H 2.000 . 2.400 2.190 2.046 2.318 . 0 0 "[ . 1]" 2 37 2 28 LEU O 2 32 CYS H 2.000 . 2.400 1.912 1.889 1.933 . 0 0 "[ . 1]" 2 38 2 29 LYS O 2 33 ALA H 2.000 . 2.400 2.152 2.053 2.278 . 0 0 "[ . 1]" 2 39 2 30 VAL O 2 34 LYS H 2.000 . 2.400 1.910 1.873 1.995 . 0 0 "[ . 1]" 2 40 2 39 LEU O 2 43 ILE H 2.000 . 2.400 1.986 1.926 2.043 . 0 0 "[ . 1]" 2 41 2 40 THR O 2 44 GLU H 2.000 . 2.400 1.865 1.826 1.904 . 0 0 "[ . 1]" 2 42 2 41 GLN O 2 45 GLU H 2.000 . 2.400 1.959 1.867 2.014 . 0 0 "[ . 1]" 2 43 2 42 ALA O 2 46 ALA H 2.000 . 2.400 1.820 1.774 1.850 . 0 0 "[ . 1]" 2 44 2 43 ILE O 2 47 ILE H 2.000 . 2.400 1.698 1.652 1.724 . 0 0 "[ . 1]" 2 45 2 44 GLU O 2 48 LYS H 2.000 . 2.400 2.015 1.870 2.153 . 0 0 "[ . 1]" 2 46 2 45 GLU O 2 49 GLU H 2.000 . 2.400 1.946 1.859 2.032 . 0 0 "[ . 1]" 2 47 2 46 ALA O 2 50 TYR H 2.000 . 2.400 2.301 2.209 2.415 0.015 1 0 "[ . 1]" 2 48 2 47 ILE O 2 51 LEU H 2.000 . 2.400 2.276 2.192 2.367 . 0 0 "[ . 1]" 2 49 2 48 LYS O 2 52 GLN H 2.000 . 2.400 2.352 2.224 2.432 0.032 10 0 "[ . 1]" 2 50 2 49 GLU O 2 53 LYS H 2.000 . 2.400 2.087 1.881 2.367 . 0 0 "[ . 1]" 2 51 1 31 TYR O 1 35 ASN HD21 2.000 . 2.400 1.957 1.828 2.040 . 0 0 "[ . 1]" 2 52 2 31 TYR O 2 35 ASN HD21 2.000 . 2.400 1.960 1.822 2.037 . 0 0 "[ . 1]" 2 53 1 55 ASN OD1 1 56 GLY H 2.000 . 2.400 1.758 1.712 1.801 . 0 0 "[ . 1]" 2 54 2 55 ASN OD1 2 56 GLY H 2.000 . 2.400 1.758 1.714 1.793 . 0 0 "[ . 1]" 2 stop_ save_
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