NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
498719 | 2kw2 | 16805 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kw2 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 1798 _Distance_constraint_stats_list.Viol_count 405 _Distance_constraint_stats_list.Viol_total 504.595 _Distance_constraint_stats_list.Viol_max 0.379 _Distance_constraint_stats_list.Viol_rms 0.0093 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0623 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 THR 1.323 0.258 12 0 "[ . 1 . 2]" 1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 THR 0.398 0.132 16 0 "[ . 1 . 2]" 1 5 PHE 0.681 0.102 10 0 "[ . 1 . 2]" 1 6 ASP 1.211 0.258 12 0 "[ . 1 . 2]" 1 7 ARG 0.703 0.210 10 0 "[ . 1 . 2]" 1 8 VAL 0.754 0.120 12 0 "[ . 1 . 2]" 1 9 ALA 0.245 0.067 20 0 "[ . 1 . 2]" 1 10 THR 4.547 0.379 9 0 "[ . 1 . 2]" 1 11 ILE 3.863 0.379 9 0 "[ . 1 . 2]" 1 12 ILE 0.157 0.069 6 0 "[ . 1 . 2]" 1 13 ALA 0.073 0.039 3 0 "[ . 1 . 2]" 1 14 GLU 0.095 0.044 15 0 "[ . 1 . 2]" 1 15 THR 1.112 0.234 15 0 "[ . 1 . 2]" 1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 ILE 0.052 0.035 1 0 "[ . 1 . 2]" 1 19 PRO 0.257 0.095 19 0 "[ . 1 . 2]" 1 20 ARG 1.923 0.271 7 0 "[ . 1 . 2]" 1 21 GLU 0.131 0.068 2 0 "[ . 1 . 2]" 1 22 THR 0.196 0.095 19 0 "[ . 1 . 2]" 1 23 ILE 2.334 0.171 2 0 "[ . 1 . 2]" 1 24 THR 1.371 0.171 2 0 "[ . 1 . 2]" 1 25 PRO 0.955 0.121 14 0 "[ . 1 . 2]" 1 26 GLU 0.135 0.074 15 0 "[ . 1 . 2]" 1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 HIS 2.576 0.177 16 0 "[ . 1 . 2]" 1 29 ALA 0.081 0.034 8 0 "[ . 1 . 2]" 1 30 ILE 0.656 0.113 3 0 "[ . 1 . 2]" 1 31 ASP 0.218 0.047 8 0 "[ . 1 . 2]" 1 32 ASP 0.675 0.111 14 0 "[ . 1 . 2]" 1 33 LEU 0.675 0.111 14 0 "[ . 1 . 2]" 1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ILE 0.018 0.009 13 0 "[ . 1 . 2]" 1 36 ASP 1.229 0.190 2 0 "[ . 1 . 2]" 1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 LEU 1.229 0.190 2 0 "[ . 1 . 2]" 1 40 PHE 0.936 0.110 3 0 "[ . 1 . 2]" 1 41 LEU 0.756 0.098 3 0 "[ . 1 . 2]" 1 42 ASP 1.101 0.234 15 0 "[ . 1 . 2]" 1 43 ILE 0.215 0.057 13 0 "[ . 1 . 2]" 1 44 ALA 0.155 0.062 1 0 "[ . 1 . 2]" 1 45 PHE 0.055 0.049 6 0 "[ . 1 . 2]" 1 46 ALA 0.004 0.004 19 0 "[ . 1 . 2]" 1 47 ILE 0.383 0.090 14 0 "[ . 1 . 2]" 1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 LYS 0.055 0.049 6 0 "[ . 1 . 2]" 1 50 ALA 0.037 0.036 18 0 "[ . 1 . 2]" 1 51 PHE 0.114 0.069 3 0 "[ . 1 . 2]" 1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 ILE 0.504 0.126 16 0 "[ . 1 . 2]" 1 54 LYS 0.125 0.055 1 0 "[ . 1 . 2]" 1 55 LEU 0.182 0.062 1 0 "[ . 1 . 2]" 1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 LEU 1.540 0.110 3 0 "[ . 1 . 2]" 1 58 GLU 1.826 0.227 10 0 "[ . 1 . 2]" 1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 TRP 0.305 0.097 17 0 "[ . 1 . 2]" 1 61 THR 1.740 0.227 10 0 "[ . 1 . 2]" 1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 GLU 0.119 0.051 3 0 "[ . 1 . 2]" 1 64 VAL 0.160 0.073 16 0 "[ . 1 . 2]" 1 65 ASN 0.005 0.005 18 0 "[ . 1 . 2]" 1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLY 0.018 0.018 4 0 "[ . 1 . 2]" 1 68 LYS 0.019 0.018 4 0 "[ . 1 . 2]" 1 69 ALA 0.237 0.061 10 0 "[ . 1 . 2]" 1 70 THR 1.691 0.338 20 0 "[ . 1 . 2]" 1 71 THR 1.412 0.338 20 0 "[ . 1 . 2]" 1 72 GLU 0.220 0.102 8 0 "[ . 1 . 2]" 1 73 GLN 0.674 0.100 13 0 "[ . 1 . 2]" 1 74 TYR 0.157 0.030 13 0 "[ . 1 . 2]" 1 75 PHE 1.381 0.113 3 0 "[ . 1 . 2]" 1 76 VAL 1.673 0.177 16 0 "[ . 1 . 2]" 1 77 LEU 0.256 0.080 19 0 "[ . 1 . 2]" 1 78 LYS 0.287 0.074 15 0 "[ . 1 . 2]" 1 79 ASN 0.351 0.075 8 0 "[ . 1 . 2]" 1 80 LEU 0.183 0.069 6 0 "[ . 1 . 2]" 1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 ALA 0.057 0.057 17 0 "[ . 1 . 2]" 1 83 ARG 0.450 0.097 17 0 "[ . 1 . 2]" 1 84 ILE 0.495 0.132 16 0 "[ . 1 . 2]" 1 85 ASP 0.069 0.033 15 0 "[ . 1 . 2]" 1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 LEU 0.000 0.000 1 0 "[ . 1 . 2]" 1 88 VAL 0.082 0.033 15 0 "[ . 1 . 2]" 1 89 ALA 0.113 0.088 10 0 "[ . 1 . 2]" 1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 LYS 0.283 0.126 16 0 "[ . 1 . 2]" 1 92 GLY 0.070 0.048 4 0 "[ . 1 . 2]" 1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 GLU 0.070 0.048 4 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 THR HA 1 6 ASP QB 4.680 . 5.380 3.691 2.190 4.796 . 0 0 "[ . 1 . 2]" 1 2 1 2 THR HB 1 7 ARG HG2 5.160 . 5.930 4.874 3.605 6.017 0.087 3 0 "[ . 1 . 2]" 1 3 1 2 THR MG 1 6 ASP HB2 4.140 . 4.760 3.857 2.386 5.018 0.258 12 0 "[ . 1 . 2]" 1 4 1 2 THR MG 1 6 ASP HB3 4.140 . 4.760 3.105 2.113 4.950 0.190 19 0 "[ . 1 . 2]" 1 5 1 2 THR MG 1 7 ARG QD 4.470 . 5.140 2.936 2.016 4.278 . 0 0 "[ . 1 . 2]" 1 6 1 2 THR MG 1 7 ARG HG2 4.500 . 5.180 2.686 2.027 4.177 . 0 0 "[ . 1 . 2]" 1 7 1 2 THR MG 1 7 ARG HG3 4.130 . 4.750 3.494 2.455 4.864 0.114 17 0 "[ . 1 . 2]" 1 8 1 3 SER QB 1 4 THR H 3.850 . 4.430 2.944 2.079 3.664 . 0 0 "[ . 1 . 2]" 1 9 1 3 SER QB 1 4 THR HA 4.870 . 5.600 4.761 4.396 5.056 . 0 0 "[ . 1 . 2]" 1 10 1 3 SER QB 1 5 PHE H 4.520 . 5.200 2.824 2.477 3.302 . 0 0 "[ . 1 . 2]" 1 11 1 3 SER HB2 1 4 THR H 4.570 . 5.260 3.677 2.391 4.148 . 0 0 "[ . 1 . 2]" 1 12 1 3 SER HB3 1 4 THR H 4.570 . 5.260 3.271 2.117 4.167 . 0 0 "[ . 1 . 2]" 1 13 1 4 THR H 1 4 THR HB 4.150 . 4.770 2.695 2.567 2.800 . 0 0 "[ . 1 . 2]" 1 14 1 4 THR H 1 4 THR MG 4.440 . 5.110 3.796 3.766 3.820 . 0 0 "[ . 1 . 2]" 1 15 1 4 THR H 1 5 PHE H 4.300 . 4.950 2.724 2.576 2.829 . 0 0 "[ . 1 . 2]" 1 16 1 4 THR H 1 81 ALA MB 4.730 . 5.440 4.762 4.329 5.303 . 0 0 "[ . 1 . 2]" 1 17 1 4 THR HA 1 4 THR MG 3.400 . 3.910 2.393 2.306 2.479 . 0 0 "[ . 1 . 2]" 1 18 1 4 THR HA 1 7 ARG HG2 5.440 . 6.260 3.602 2.627 4.475 . 0 0 "[ . 1 . 2]" 1 19 1 4 THR HA 1 51 PHE QE 4.640 . 5.340 2.913 2.252 4.241 . 0 0 "[ . 1 . 2]" 1 20 1 4 THR HA 1 81 ALA MB 4.600 . 5.290 4.649 4.214 5.022 . 0 0 "[ . 1 . 2]" 1 21 1 4 THR HB 1 81 ALA MB 4.200 . 4.830 2.926 2.389 3.608 . 0 0 "[ . 1 . 2]" 1 22 1 4 THR HB 1 82 ALA H 5.500 . 6.330 5.711 5.238 6.387 0.057 17 0 "[ . 1 . 2]" 1 23 1 4 THR MG 1 5 PHE H 4.460 . 5.130 3.883 3.547 4.139 . 0 0 "[ . 1 . 2]" 1 24 1 4 THR MG 1 5 PHE HA 4.730 . 5.440 3.975 3.690 4.411 . 0 0 "[ . 1 . 2]" 1 25 1 4 THR MG 1 7 ARG H 5.290 . 6.080 4.843 4.632 5.056 . 0 0 "[ . 1 . 2]" 1 26 1 4 THR MG 1 7 ARG HB2 4.290 . 4.930 3.790 3.295 4.227 . 0 0 "[ . 1 . 2]" 1 27 1 4 THR MG 1 7 ARG HG3 4.560 . 5.240 4.698 3.886 5.343 0.103 15 0 "[ . 1 . 2]" 1 28 1 4 THR MG 1 8 VAL H 4.500 . 5.180 4.057 3.824 4.470 . 0 0 "[ . 1 . 2]" 1 29 1 4 THR MG 1 8 VAL QG 3.080 . 3.540 2.466 2.191 2.870 . 0 0 "[ . 1 . 2]" 1 30 1 4 THR MG 1 51 PHE QD 4.690 . 5.390 3.522 3.166 4.346 . 0 0 "[ . 1 . 2]" 1 31 1 4 THR MG 1 51 PHE QE 3.370 . 3.880 2.335 1.968 3.296 . 0 0 "[ . 1 . 2]" 1 32 1 4 THR MG 1 81 ALA H 5.230 . 6.010 5.202 4.882 5.612 . 0 0 "[ . 1 . 2]" 1 33 1 4 THR MG 1 81 ALA HA 3.370 . 3.880 2.865 2.507 3.233 . 0 0 "[ . 1 . 2]" 1 34 1 4 THR MG 1 81 ALA MB 3.150 . 3.620 2.879 2.623 3.405 . 0 0 "[ . 1 . 2]" 1 35 1 4 THR MG 1 84 ILE H 4.590 . 5.280 4.171 3.891 4.445 . 0 0 "[ . 1 . 2]" 1 36 1 4 THR MG 1 84 ILE HB 3.590 . 4.130 2.715 2.356 3.163 . 0 0 "[ . 1 . 2]" 1 37 1 4 THR MG 1 84 ILE MD 3.470 . 3.990 3.696 3.317 4.122 0.132 16 0 "[ . 1 . 2]" 1 38 1 4 THR MG 1 84 ILE MG 3.210 . 3.690 2.382 2.161 3.024 . 0 0 "[ . 1 . 2]" 1 39 1 4 THR MG 1 85 ASP H 3.800 . 4.370 2.421 2.216 2.644 . 0 0 "[ . 1 . 2]" 1 40 1 4 THR MG 1 86 GLU H 5.500 . 6.330 4.688 4.541 4.896 . 0 0 "[ . 1 . 2]" 1 41 1 5 PHE H 1 5 PHE HB2 3.850 . 4.430 2.760 2.660 2.886 . 0 0 "[ . 1 . 2]" 1 42 1 5 PHE H 1 5 PHE HB3 3.780 . 4.350 2.468 2.393 2.529 . 0 0 "[ . 1 . 2]" 1 43 1 5 PHE H 1 5 PHE HD2 4.580 . 5.270 4.710 4.598 4.808 . 0 0 "[ . 1 . 2]" 1 44 1 5 PHE H 1 81 ALA MB 4.230 . 4.860 3.177 2.917 3.366 . 0 0 "[ . 1 . 2]" 1 45 1 5 PHE HA 1 5 PHE HD1 3.610 . 4.150 2.644 2.533 2.729 . 0 0 "[ . 1 . 2]" 1 46 1 5 PHE HA 1 5 PHE HE1 5.090 . 5.850 4.814 4.728 4.894 . 0 0 "[ . 1 . 2]" 1 47 1 5 PHE HA 1 8 VAL H 4.380 . 5.040 3.581 3.249 3.893 . 0 0 "[ . 1 . 2]" 1 48 1 5 PHE HA 1 8 VAL HB 4.010 . 4.610 2.776 2.334 3.104 . 0 0 "[ . 1 . 2]" 1 49 1 5 PHE HA 1 8 VAL QG . . 4.580 3.109 2.787 3.513 . 0 0 "[ . 1 . 2]" 1 50 1 5 PHE HA 1 9 ALA H 4.610 . 5.300 4.028 3.729 4.276 . 0 0 "[ . 1 . 2]" 1 51 1 5 PHE HA 1 9 ALA MB 4.420 . 5.080 4.340 4.155 4.614 . 0 0 "[ . 1 . 2]" 1 52 1 5 PHE HA 1 78 LYS HA 4.850 . 5.580 4.845 4.270 5.363 . 0 0 "[ . 1 . 2]" 1 53 1 5 PHE HA 1 81 ALA MB 3.290 . 3.780 2.150 1.938 2.408 . 0 0 "[ . 1 . 2]" 1 54 1 5 PHE HB2 1 78 LYS HA 4.780 . 5.500 3.726 3.043 4.221 . 0 0 "[ . 1 . 2]" 1 55 1 5 PHE HB2 1 78 LYS QB 4.680 . 5.380 4.698 3.961 5.415 0.035 17 0 "[ . 1 . 2]" 1 56 1 5 PHE HB2 1 81 ALA MB 3.900 . 4.490 2.644 2.354 2.953 . 0 0 "[ . 1 . 2]" 1 57 1 5 PHE HB3 1 5 PHE HD2 3.680 . 4.230 2.379 2.362 2.408 . 0 0 "[ . 1 . 2]" 1 58 1 5 PHE HB3 1 81 ALA MB 4.400 . 5.060 3.862 3.666 4.132 . 0 0 "[ . 1 . 2]" 1 59 1 5 PHE HD1 1 8 VAL HB 4.700 . 5.400 3.869 3.321 4.595 . 0 0 "[ . 1 . 2]" 1 60 1 5 PHE HD1 1 8 VAL QG 5.260 . 6.050 3.960 3.394 4.615 . 0 0 "[ . 1 . 2]" 1 61 1 5 PHE HD1 1 9 ALA H 4.810 . 5.530 4.946 4.545 5.267 . 0 0 "[ . 1 . 2]" 1 62 1 5 PHE HD1 1 9 ALA MB 4.220 . 4.850 4.107 3.526 4.522 . 0 0 "[ . 1 . 2]" 1 63 1 5 PHE HD1 1 23 ILE MG 5.500 . 6.330 4.977 4.468 5.559 . 0 0 "[ . 1 . 2]" 1 64 1 5 PHE HD1 1 25 PRO HA 5.040 . 5.800 3.721 3.266 4.224 . 0 0 "[ . 1 . 2]" 1 65 1 5 PHE HD1 1 77 LEU HA 5.070 . 5.830 4.679 4.451 4.891 . 0 0 "[ . 1 . 2]" 1 66 1 5 PHE HD1 1 77 LEU HB2 4.460 . 5.130 3.903 3.341 4.366 . 0 0 "[ . 1 . 2]" 1 67 1 5 PHE HD1 1 77 LEU MD1 4.190 . 4.820 4.602 4.075 4.900 0.080 19 0 "[ . 1 . 2]" 1 68 1 5 PHE HD1 1 77 LEU MD2 5.350 . 6.150 5.188 4.900 5.493 . 0 0 "[ . 1 . 2]" 1 69 1 5 PHE HD1 1 78 LYS HA 4.540 . 5.220 3.199 2.648 3.733 . 0 0 "[ . 1 . 2]" 1 70 1 5 PHE HD1 1 81 ALA MB 4.100 . 4.720 2.568 2.094 3.166 . 0 0 "[ . 1 . 2]" 1 71 1 5 PHE HD2 1 6 ASP HA 4.780 . 5.500 3.684 3.370 4.154 . 0 0 "[ . 1 . 2]" 1 72 1 5 PHE HD2 1 9 ALA MB 5.020 . 5.770 4.071 3.855 4.358 . 0 0 "[ . 1 . 2]" 1 73 1 5 PHE HD2 1 23 ILE MG 5.500 . 6.330 5.396 5.172 5.689 . 0 0 "[ . 1 . 2]" 1 74 1 5 PHE HE1 1 9 ALA MB 3.830 . 4.400 3.650 2.974 4.114 . 0 0 "[ . 1 . 2]" 1 75 1 5 PHE HE1 1 23 ILE MG 3.900 . 4.490 3.301 2.653 3.995 . 0 0 "[ . 1 . 2]" 1 76 1 5 PHE HE1 1 25 PRO HA 3.760 . 4.320 2.604 2.242 3.009 . 0 0 "[ . 1 . 2]" 1 77 1 5 PHE HE1 1 77 LEU HA 4.540 . 5.220 4.363 4.053 4.733 . 0 0 "[ . 1 . 2]" 1 78 1 5 PHE HE1 1 77 LEU HB3 4.030 . 4.630 2.113 1.770 2.431 0.030 3 0 "[ . 1 . 2]" 1 79 1 5 PHE HE1 1 77 LEU MD1 3.600 . 4.140 2.781 2.282 3.189 . 0 0 "[ . 1 . 2]" 1 80 1 5 PHE HE1 1 77 LEU MD2 4.080 . 4.690 4.219 3.879 4.442 . 0 0 "[ . 1 . 2]" 1 81 1 5 PHE HE1 1 78 LYS HA 4.930 . 5.670 4.505 3.678 5.273 . 0 0 "[ . 1 . 2]" 1 82 1 5 PHE HE2 1 9 ALA MB 4.870 . 5.600 3.636 3.239 3.969 . 0 0 "[ . 1 . 2]" 1 83 1 5 PHE HE2 1 24 THR HA 4.510 . 5.190 4.082 3.685 4.433 . 0 0 "[ . 1 . 2]" 1 84 1 5 PHE HE2 1 25 PRO HD2 4.820 . 5.540 4.697 4.311 5.447 . 0 0 "[ . 1 . 2]" 1 85 1 5 PHE HE2 1 25 PRO HG2 5.500 . 6.330 5.301 4.356 6.080 . 0 0 "[ . 1 . 2]" 1 86 1 5 PHE HZ 1 9 ALA MB 3.830 . 4.400 3.391 3.038 3.865 . 0 0 "[ . 1 . 2]" 1 87 1 5 PHE HZ 1 23 ILE HB 5.150 . 5.920 4.598 3.746 5.690 . 0 0 "[ . 1 . 2]" 1 88 1 5 PHE HZ 1 23 ILE MG 3.140 . 3.610 2.322 1.881 3.068 . 0 0 "[ . 1 . 2]" 1 89 1 5 PHE HZ 1 24 THR H 4.490 . 5.160 4.075 3.547 4.449 . 0 0 "[ . 1 . 2]" 1 90 1 5 PHE HZ 1 24 THR HA 3.360 . 3.860 3.044 2.710 3.481 . 0 0 "[ . 1 . 2]" 1 91 1 5 PHE HZ 1 24 THR HB 5.260 . 6.050 5.142 4.884 5.526 . 0 0 "[ . 1 . 2]" 1 92 1 5 PHE HZ 1 24 THR MG 4.920 . 5.660 4.893 4.544 5.240 . 0 0 "[ . 1 . 2]" 1 93 1 5 PHE HZ 1 25 PRO HA 4.060 . 4.670 3.407 2.817 4.142 . 0 0 "[ . 1 . 2]" 1 94 1 5 PHE HZ 1 25 PRO HD2 3.840 . 4.420 4.298 3.861 4.522 0.102 10 0 "[ . 1 . 2]" 1 95 1 5 PHE HZ 1 25 PRO HD3 4.190 . 4.820 2.966 2.596 3.260 . 0 0 "[ . 1 . 2]" 1 96 1 5 PHE HZ 1 25 PRO HG3 4.590 . 5.280 4.376 3.163 5.336 0.056 16 0 "[ . 1 . 2]" 1 97 1 5 PHE HZ 1 77 LEU HB2 4.400 . 5.060 4.150 3.691 4.579 . 0 0 "[ . 1 . 2]" 1 98 1 5 PHE HZ 1 77 LEU HB3 4.640 . 5.340 4.330 3.903 4.788 . 0 0 "[ . 1 . 2]" 1 99 1 5 PHE HZ 1 77 LEU MD1 3.730 . 4.290 3.385 3.168 3.601 . 0 0 "[ . 1 . 2]" 1 100 1 6 ASP HA 1 9 ALA H 3.650 . 4.200 3.683 3.293 4.042 . 0 0 "[ . 1 . 2]" 1 101 1 6 ASP HA 1 9 ALA HA 5.150 . 5.920 5.434 4.990 5.950 0.030 1 0 "[ . 1 . 2]" 1 102 1 6 ASP HA 1 9 ALA MB 3.380 . 3.890 2.560 2.165 3.046 . 0 0 "[ . 1 . 2]" 1 103 1 6 ASP HA 1 20 ARG HE 5.500 . 6.330 5.107 4.159 6.274 . 0 0 "[ . 1 . 2]" 1 104 1 6 ASP HA 1 20 ARG HH12 5.000 . 5.750 3.489 2.369 5.862 0.112 7 0 "[ . 1 . 2]" 1 105 1 6 ASP HA 1 20 ARG HH21 5.020 . 5.770 3.755 2.503 5.702 . 0 0 "[ . 1 . 2]" 1 106 1 6 ASP HA 1 20 ARG HH22 5.020 . 5.770 2.922 2.038 4.374 . 0 0 "[ . 1 . 2]" 1 107 1 6 ASP QB 1 7 ARG H 3.830 . 4.400 2.599 2.319 3.519 . 0 0 "[ . 1 . 2]" 1 108 1 6 ASP HB2 1 7 ARG H 4.390 . 5.050 3.601 2.541 3.921 . 0 0 "[ . 1 . 2]" 1 109 1 6 ASP HB3 1 7 ARG H 4.390 . 5.050 2.852 2.342 4.136 . 0 0 "[ . 1 . 2]" 1 110 1 7 ARG H 1 7 ARG HB2 3.770 . 4.340 2.486 2.362 2.680 . 0 0 "[ . 1 . 2]" 1 111 1 7 ARG H 1 7 ARG HB3 3.850 . 4.430 3.597 3.562 3.633 . 0 0 "[ . 1 . 2]" 1 112 1 7 ARG H 1 7 ARG HD2 4.820 . 5.540 4.345 2.824 4.834 . 0 0 "[ . 1 . 2]" 1 113 1 7 ARG H 1 7 ARG HD3 4.820 . 5.540 4.030 3.115 4.932 . 0 0 "[ . 1 . 2]" 1 114 1 7 ARG H 1 7 ARG HG2 3.860 . 4.440 2.344 2.109 3.153 . 0 0 "[ . 1 . 2]" 1 115 1 7 ARG H 1 7 ARG HG3 4.360 . 5.010 3.586 2.014 3.823 . 0 0 "[ . 1 . 2]" 1 116 1 7 ARG H 1 8 VAL H 3.750 . 4.310 2.749 2.657 2.844 . 0 0 "[ . 1 . 2]" 1 117 1 7 ARG H 1 9 ALA H 4.270 . 4.910 3.968 3.792 4.185 . 0 0 "[ . 1 . 2]" 1 118 1 7 ARG HA 1 7 ARG HD2 4.180 . 4.810 3.104 2.208 4.691 . 0 0 "[ . 1 . 2]" 1 119 1 7 ARG HA 1 7 ARG QD 3.660 . 4.210 2.408 1.936 4.063 . 0 0 "[ . 1 . 2]" 1 120 1 7 ARG HA 1 7 ARG HD3 4.180 . 4.810 2.806 1.950 4.453 . 0 0 "[ . 1 . 2]" 1 121 1 7 ARG HA 1 7 ARG HG2 3.940 . 4.530 3.089 2.708 3.451 . 0 0 "[ . 1 . 2]" 1 122 1 7 ARG HA 1 7 ARG HG3 3.830 . 4.400 3.774 3.285 3.841 . 0 0 "[ . 1 . 2]" 1 123 1 7 ARG HA 1 10 THR H 4.390 . 5.050 3.637 3.384 3.922 . 0 0 "[ . 1 . 2]" 1 124 1 7 ARG HA 1 10 THR HB 4.700 . 5.400 3.266 2.575 4.304 . 0 0 "[ . 1 . 2]" 1 125 1 7 ARG HA 1 10 THR MG 3.860 . 4.440 3.497 2.012 4.438 . 0 0 "[ . 1 . 2]" 1 126 1 7 ARG HB2 1 51 PHE QE 3.870 . 4.450 2.660 2.374 2.995 . 0 0 "[ . 1 . 2]" 1 127 1 7 ARG HB2 1 51 PHE HZ 4.240 . 4.880 2.330 1.912 3.027 . 0 0 "[ . 1 . 2]" 1 128 1 7 ARG HB3 1 50 ALA MB 5.500 . 6.330 4.251 3.631 5.344 . 0 0 "[ . 1 . 2]" 1 129 1 7 ARG HB3 1 51 PHE QE 4.570 . 5.260 3.163 2.504 3.539 . 0 0 "[ . 1 . 2]" 1 130 1 7 ARG HB3 1 51 PHE HZ 4.200 . 4.830 2.764 2.330 3.159 . 0 0 "[ . 1 . 2]" 1 131 1 7 ARG QD 1 10 THR MG 5.340 . 6.140 4.264 2.685 6.350 0.210 10 0 "[ . 1 . 2]" 1 132 1 7 ARG QD 1 51 PHE QE 5.060 . 5.820 4.568 2.220 4.993 . 0 0 "[ . 1 . 2]" 1 133 1 7 ARG QD 1 51 PHE HZ 4.620 . 5.310 4.866 3.543 5.379 0.069 3 0 "[ . 1 . 2]" 1 134 1 7 ARG HG2 1 8 VAL H 4.750 . 5.460 4.359 4.038 4.843 . 0 0 "[ . 1 . 2]" 1 135 1 7 ARG HG2 1 51 PHE QE 5.340 . 6.140 4.316 3.909 4.739 . 0 0 "[ . 1 . 2]" 1 136 1 7 ARG HG3 1 51 PHE QE 4.490 . 5.160 3.411 2.781 4.209 . 0 0 "[ . 1 . 2]" 1 137 1 7 ARG HG3 1 51 PHE HZ 4.520 . 5.200 4.291 3.760 4.710 . 0 0 "[ . 1 . 2]" 1 138 1 8 VAL H 1 8 VAL HB 3.240 . 3.730 2.562 2.479 2.629 . 0 0 "[ . 1 . 2]" 1 139 1 8 VAL H 1 8 VAL QG 3.240 . 3.730 2.081 1.992 2.165 . 0 0 "[ . 1 . 2]" 1 140 1 8 VAL H 1 9 ALA H 3.420 . 3.930 2.673 2.580 2.773 . 0 0 "[ . 1 . 2]" 1 141 1 8 VAL H 1 9 ALA MB 4.410 . 5.070 4.326 4.219 4.438 . 0 0 "[ . 1 . 2]" 1 142 1 8 VAL H 1 11 ILE MD 5.500 . 6.330 5.733 3.889 6.161 . 0 0 "[ . 1 . 2]" 1 143 1 8 VAL H 1 51 PHE QE 5.380 . 6.190 3.871 3.649 4.013 . 0 0 "[ . 1 . 2]" 1 144 1 8 VAL H 1 84 ILE MD 5.080 . 5.840 4.910 4.791 5.032 . 0 0 "[ . 1 . 2]" 1 145 1 8 VAL HA 1 11 ILE H 4.050 . 4.660 3.484 3.305 3.687 . 0 0 "[ . 1 . 2]" 1 146 1 8 VAL HA 1 11 ILE HA 4.990 . 5.740 5.339 5.169 5.508 . 0 0 "[ . 1 . 2]" 1 147 1 8 VAL HA 1 11 ILE HB 3.500 . 4.030 2.659 2.520 2.879 . 0 0 "[ . 1 . 2]" 1 148 1 8 VAL HA 1 11 ILE MD 3.880 . 4.460 4.235 2.175 4.580 0.120 12 0 "[ . 1 . 2]" 1 149 1 8 VAL HA 1 11 ILE HG12 4.040 . 4.650 3.296 2.856 4.739 0.089 9 0 "[ . 1 . 2]" 1 150 1 8 VAL HA 1 11 ILE HG13 3.410 . 3.920 3.203 2.958 3.731 . 0 0 "[ . 1 . 2]" 1 151 1 8 VAL HA 1 47 ILE MD 4.800 . 5.520 3.749 3.343 4.566 . 0 0 "[ . 1 . 2]" 1 152 1 8 VAL HA 1 47 ILE MG 4.830 . 5.550 4.767 4.292 5.124 . 0 0 "[ . 1 . 2]" 1 153 1 8 VAL HB 1 9 ALA H 3.330 . 3.830 2.754 2.651 2.847 . 0 0 "[ . 1 . 2]" 1 154 1 8 VAL HB 1 9 ALA MB 4.490 . 5.160 4.002 3.866 4.189 . 0 0 "[ . 1 . 2]" 1 155 1 8 VAL HB 1 81 ALA MB 4.230 . 4.860 3.134 2.754 3.535 . 0 0 "[ . 1 . 2]" 1 156 1 8 VAL HB 1 84 ILE MD 4.040 . 4.650 4.049 3.804 4.263 . 0 0 "[ . 1 . 2]" 1 157 1 8 VAL QG 1 9 ALA H 4.080 . 4.490 3.301 3.211 3.377 . 0 0 "[ . 1 . 2]" 1 158 1 8 VAL QG 1 9 ALA HA 4.180 . 4.810 3.505 3.348 3.645 . 0 0 "[ . 1 . 2]" 1 159 1 8 VAL QG 1 12 ILE H 3.850 . 4.430 3.886 3.710 4.057 . 0 0 "[ . 1 . 2]" 1 160 1 8 VAL QG 1 47 ILE HA 5.500 . 6.330 4.776 4.534 5.050 . 0 0 "[ . 1 . 2]" 1 161 1 8 VAL QG 1 51 PHE QE . . 3.990 2.780 2.485 2.942 . 0 0 "[ . 1 . 2]" 1 162 1 8 VAL QG 1 51 PHE HZ 3.860 . 4.440 2.140 1.988 2.457 . 0 0 "[ . 1 . 2]" 1 163 1 8 VAL QG 1 80 LEU MD1 3.840 . 4.420 3.488 2.950 3.793 . 0 0 "[ . 1 . 2]" 1 164 1 8 VAL QG 1 80 LEU MD2 2.990 . 3.440 2.140 1.954 2.304 . 0 0 "[ . 1 . 2]" 1 165 1 8 VAL QG 1 80 LEU HG 4.140 . 4.760 2.471 2.075 2.908 . 0 0 "[ . 1 . 2]" 1 166 1 8 VAL QG 1 81 ALA H 4.150 . 4.770 3.578 3.289 3.923 . 0 0 "[ . 1 . 2]" 1 167 1 8 VAL QG 1 81 ALA HA 3.770 . 4.340 2.177 1.807 2.558 . 0 0 "[ . 1 . 2]" 1 168 1 8 VAL QG 1 81 ALA MB 3.510 . 4.040 2.612 2.245 3.080 . 0 0 "[ . 1 . 2]" 1 169 1 8 VAL QG 1 84 ILE HB 4.590 . 5.280 2.948 2.629 3.399 . 0 0 "[ . 1 . 2]" 1 170 1 8 VAL QG 1 84 ILE MD 2.900 . 3.340 1.874 1.809 1.946 . 0 0 "[ . 1 . 2]" 1 171 1 8 VAL QG 1 84 ILE QG 4.460 . 5.130 3.459 3.278 3.647 . 0 0 "[ . 1 . 2]" 1 172 1 8 VAL QG 1 84 ILE MG 3.760 . 4.320 2.538 2.144 2.886 . 0 0 "[ . 1 . 2]" 1 173 1 8 VAL QG 1 85 ASP H 5.500 . 6.330 4.624 4.284 5.088 . 0 0 "[ . 1 . 2]" 1 174 1 9 ALA H 1 9 ALA MB 2.900 . 3.340 2.250 2.227 2.277 . 0 0 "[ . 1 . 2]" 1 175 1 9 ALA H 1 10 THR H 3.600 . 4.140 2.660 2.591 2.738 . 0 0 "[ . 1 . 2]" 1 176 1 9 ALA H 1 81 ALA MB 5.180 . 5.960 5.080 4.781 5.452 . 0 0 "[ . 1 . 2]" 1 177 1 9 ALA HA 1 10 THR MG 5.480 . 6.300 5.948 5.201 6.258 . 0 0 "[ . 1 . 2]" 1 178 1 9 ALA HA 1 12 ILE H 4.410 . 5.070 3.647 3.412 4.008 . 0 0 "[ . 1 . 2]" 1 179 1 9 ALA HA 1 12 ILE HB 4.000 . 4.600 2.977 2.692 3.513 . 0 0 "[ . 1 . 2]" 1 180 1 9 ALA HA 1 12 ILE MD 3.850 . 4.430 3.151 2.554 3.938 . 0 0 "[ . 1 . 2]" 1 181 1 9 ALA HA 1 13 ALA MB 4.870 . 5.600 4.573 4.415 4.793 . 0 0 "[ . 1 . 2]" 1 182 1 9 ALA HA 1 23 ILE MD 3.730 . 4.290 2.960 2.765 3.174 . 0 0 "[ . 1 . 2]" 1 183 1 9 ALA HA 1 23 ILE MG 3.510 . 4.040 2.550 2.238 2.982 . 0 0 "[ . 1 . 2]" 1 184 1 9 ALA HA 1 77 LEU MD1 4.320 . 4.970 3.639 3.208 4.241 . 0 0 "[ . 1 . 2]" 1 185 1 9 ALA MB 1 10 THR H 3.470 . 3.990 2.481 2.337 2.642 . 0 0 "[ . 1 . 2]" 1 186 1 9 ALA MB 1 10 THR HA 5.020 . 5.770 3.961 3.859 4.042 . 0 0 "[ . 1 . 2]" 1 187 1 9 ALA MB 1 10 THR HB 3.970 . 4.570 4.374 3.916 4.637 0.067 20 0 "[ . 1 . 2]" 1 188 1 9 ALA MB 1 10 THR MG 4.500 . 5.180 4.795 3.930 5.175 . 0 0 "[ . 1 . 2]" 1 189 1 9 ALA MB 1 13 ALA MB 4.690 . 5.390 4.096 3.873 4.285 . 0 0 "[ . 1 . 2]" 1 190 1 9 ALA MB 1 20 ARG HD2 4.160 . 4.780 2.983 2.264 3.770 . 0 0 "[ . 1 . 2]" 1 191 1 9 ALA MB 1 20 ARG QD 3.630 . 4.170 2.761 2.213 3.573 . 0 0 "[ . 1 . 2]" 1 192 1 9 ALA MB 1 20 ARG HD3 4.160 . 4.780 3.442 2.260 4.428 . 0 0 "[ . 1 . 2]" 1 193 1 9 ALA MB 1 20 ARG HE 4.300 . 4.950 3.264 2.185 4.650 . 0 0 "[ . 1 . 2]" 1 194 1 9 ALA MB 1 20 ARG HH11 4.520 . 5.200 3.079 2.068 4.366 . 0 0 "[ . 1 . 2]" 1 195 1 9 ALA MB 1 23 ILE HB 5.200 . 5.980 3.394 2.900 3.793 . 0 0 "[ . 1 . 2]" 1 196 1 10 THR H 1 10 THR HB 3.500 . 4.030 2.481 2.239 2.733 . 0 0 "[ . 1 . 2]" 1 197 1 10 THR H 1 10 THR MG 4.080 . 4.690 3.311 2.128 3.786 . 0 0 "[ . 1 . 2]" 1 198 1 10 THR H 1 11 ILE H 3.300 . 3.800 2.740 2.547 2.876 . 0 0 "[ . 1 . 2]" 1 199 1 10 THR H 1 11 ILE HB 5.080 . 5.840 4.839 4.699 5.022 . 0 0 "[ . 1 . 2]" 1 200 1 10 THR HA 1 10 THR MG 3.310 . 3.810 2.776 2.501 3.276 . 0 0 "[ . 1 . 2]" 1 201 1 10 THR HA 1 13 ALA H 4.240 . 4.880 3.565 3.134 3.914 . 0 0 "[ . 1 . 2]" 1 202 1 10 THR HA 1 13 ALA MB 3.160 . 3.630 2.451 2.109 2.793 . 0 0 "[ . 1 . 2]" 1 203 1 10 THR HA 1 20 ARG QD 4.040 . 4.650 2.697 1.908 3.655 . 0 0 "[ . 1 . 2]" 1 204 1 10 THR HA 1 20 ARG HE 5.500 . 6.330 4.299 2.183 6.346 0.016 17 0 "[ . 1 . 2]" 1 205 1 10 THR HA 1 23 ILE MD 5.390 . 6.200 4.194 3.782 4.556 . 0 0 "[ . 1 . 2]" 1 206 1 10 THR HB 1 11 ILE H 4.070 . 4.680 3.052 2.461 4.178 . 0 0 "[ . 1 . 2]" 1 207 1 10 THR HB 1 20 ARG QD 4.500 . 5.180 4.607 3.257 5.451 0.271 7 0 "[ . 1 . 2]" 1 208 1 10 THR HB 1 20 ARG HH11 5.500 . 6.330 4.549 2.514 6.454 0.124 6 0 "[ . 1 . 2]" 1 209 1 10 THR HB 1 20 ARG HH12 5.500 . 6.330 4.577 2.103 6.376 0.046 11 0 "[ . 1 . 2]" 1 210 1 10 THR HB 1 20 ARG QH2 5.340 . 6.140 4.660 1.975 6.180 0.040 17 0 "[ . 1 . 2]" 1 211 1 10 THR MG 1 11 ILE H 3.970 . 4.570 3.035 2.394 3.421 . 0 0 "[ . 1 . 2]" 1 212 1 10 THR MG 1 11 ILE HA 4.230 . 4.860 3.397 3.012 3.649 . 0 0 "[ . 1 . 2]" 1 213 1 10 THR MG 1 11 ILE HB 4.270 . 4.910 4.818 4.230 5.181 0.271 12 0 "[ . 1 . 2]" 1 214 1 10 THR MG 1 11 ILE MD 3.380 . 3.890 3.344 2.872 4.269 0.379 9 0 "[ . 1 . 2]" 1 215 1 10 THR MG 1 11 ILE HG12 4.070 . 4.680 3.606 2.775 4.079 . 0 0 "[ . 1 . 2]" 1 216 1 10 THR MG 1 11 ILE HG13 4.980 . 5.730 4.815 2.854 5.547 . 0 0 "[ . 1 . 2]" 1 217 1 10 THR MG 1 13 ALA H 5.040 . 5.800 4.960 4.745 5.156 . 0 0 "[ . 1 . 2]" 1 218 1 10 THR MG 1 13 ALA MB 4.500 . 5.180 3.915 3.478 4.526 . 0 0 "[ . 1 . 2]" 1 219 1 10 THR MG 1 14 GLU H 4.840 . 5.570 4.489 4.058 5.206 . 0 0 "[ . 1 . 2]" 1 220 1 10 THR MG 1 14 GLU QG 3.790 . 4.360 3.325 2.539 4.404 0.044 15 0 "[ . 1 . 2]" 1 221 1 10 THR MG 1 20 ARG QD 5.340 . 6.140 4.465 3.825 5.213 . 0 0 "[ . 1 . 2]" 1 222 1 11 ILE H 1 11 ILE HB 3.320 . 3.820 2.446 2.348 2.515 . 0 0 "[ . 1 . 2]" 1 223 1 11 ILE H 1 11 ILE MD 3.560 . 4.090 3.392 3.260 3.558 . 0 0 "[ . 1 . 2]" 1 224 1 11 ILE H 1 11 ILE HG12 3.490 . 4.010 2.459 2.228 3.662 . 0 0 "[ . 1 . 2]" 1 225 1 11 ILE H 1 11 ILE HG13 3.830 . 4.400 3.583 2.220 3.818 . 0 0 "[ . 1 . 2]" 1 226 1 11 ILE H 1 11 ILE MG 3.940 . 4.530 3.801 3.752 3.846 . 0 0 "[ . 1 . 2]" 1 227 1 11 ILE H 1 12 ILE H 3.780 . 4.350 2.787 2.735 2.844 . 0 0 "[ . 1 . 2]" 1 228 1 11 ILE H 1 13 ALA H 4.650 . 5.350 4.034 3.927 4.169 . 0 0 "[ . 1 . 2]" 1 229 1 11 ILE HA 1 11 ILE MD 3.620 . 4.160 2.219 1.981 3.871 . 0 0 "[ . 1 . 2]" 1 230 1 11 ILE HA 1 11 ILE HG12 3.690 . 4.240 2.996 2.583 3.119 . 0 0 "[ . 1 . 2]" 1 231 1 11 ILE HA 1 11 ILE HG13 3.890 . 4.470 3.668 2.727 3.795 . 0 0 "[ . 1 . 2]" 1 232 1 11 ILE HA 1 11 ILE MG 3.450 . 3.970 2.584 2.523 2.666 . 0 0 "[ . 1 . 2]" 1 233 1 11 ILE HA 1 14 GLU H 4.100 . 4.720 3.816 3.631 4.022 . 0 0 "[ . 1 . 2]" 1 234 1 11 ILE HA 1 14 GLU QB 4.540 . 5.220 3.470 3.119 4.285 . 0 0 "[ . 1 . 2]" 1 235 1 11 ILE HB 1 11 ILE MD 3.440 . 3.960 3.181 2.403 3.275 . 0 0 "[ . 1 . 2]" 1 236 1 11 ILE HB 1 12 ILE H 4.330 . 4.980 2.445 2.313 2.605 . 0 0 "[ . 1 . 2]" 1 237 1 11 ILE HB 1 50 ALA MB 5.500 . 6.330 5.142 4.853 5.411 . 0 0 "[ . 1 . 2]" 1 238 1 11 ILE MD 1 47 ILE H 4.920 . 5.660 4.160 3.454 5.294 . 0 0 "[ . 1 . 2]" 1 239 1 11 ILE MD 1 47 ILE HA 3.500 . 4.030 3.308 1.979 4.004 . 0 0 "[ . 1 . 2]" 1 240 1 11 ILE MD 1 50 ALA H 4.940 . 5.680 4.054 3.614 4.438 . 0 0 "[ . 1 . 2]" 1 241 1 11 ILE MD 1 50 ALA MB 3.100 . 3.570 2.034 1.799 2.163 0.001 12 0 "[ . 1 . 2]" 1 242 1 11 ILE MD 1 51 PHE H 5.500 . 6.330 4.774 4.134 5.021 . 0 0 "[ . 1 . 2]" 1 243 1 11 ILE MD 1 51 PHE QD 4.340 . 4.990 4.240 3.162 4.653 . 0 0 "[ . 1 . 2]" 1 244 1 11 ILE MD 1 51 PHE QE 3.390 . 3.900 3.540 2.164 3.930 0.030 3 0 "[ . 1 . 2]" 1 245 1 11 ILE HG12 1 11 ILE MG 3.520 . 4.050 3.178 2.399 3.270 . 0 0 "[ . 1 . 2]" 1 246 1 11 ILE HG13 1 46 ALA MB 4.740 . 5.450 4.049 3.614 4.836 . 0 0 "[ . 1 . 2]" 1 247 1 11 ILE HG13 1 50 ALA MB 3.900 . 4.490 3.233 2.863 3.833 . 0 0 "[ . 1 . 2]" 1 248 1 11 ILE MG 1 12 ILE H 4.010 . 4.610 3.082 2.882 3.237 . 0 0 "[ . 1 . 2]" 1 249 1 11 ILE MG 1 12 ILE HA 4.340 . 4.990 3.201 2.997 3.406 . 0 0 "[ . 1 . 2]" 1 250 1 11 ILE MG 1 12 ILE QG 4.300 . 4.950 3.069 2.782 3.402 . 0 0 "[ . 1 . 2]" 1 251 1 11 ILE MG 1 15 THR H 4.570 . 5.260 4.183 3.907 4.294 . 0 0 "[ . 1 . 2]" 1 252 1 11 ILE MG 1 43 ILE H 5.500 . 6.330 5.078 4.601 6.239 . 0 0 "[ . 1 . 2]" 1 253 1 11 ILE MG 1 43 ILE HA 3.640 . 4.190 2.761 2.289 3.952 . 0 0 "[ . 1 . 2]" 1 254 1 11 ILE MG 1 43 ILE HG12 4.610 . 5.300 3.596 3.196 4.793 . 0 0 "[ . 1 . 2]" 1 255 1 11 ILE MG 1 43 ILE MG 3.230 . 3.710 2.206 1.975 3.077 . 0 0 "[ . 1 . 2]" 1 256 1 11 ILE MG 1 46 ALA MB 2.840 . 3.270 1.935 1.796 2.273 0.004 19 0 "[ . 1 . 2]" 1 257 1 11 ILE MG 1 47 ILE H 4.190 . 4.820 3.178 2.918 3.440 . 0 0 "[ . 1 . 2]" 1 258 1 11 ILE MG 1 47 ILE HG13 3.660 . 4.210 1.898 1.710 2.429 0.090 14 0 "[ . 1 . 2]" 1 259 1 11 ILE MG 1 50 ALA MB 3.760 . 4.320 3.996 3.296 4.356 0.036 18 0 "[ . 1 . 2]" 1 260 1 12 ILE H 1 12 ILE HB 3.390 . 3.900 2.461 2.389 2.535 . 0 0 "[ . 1 . 2]" 1 261 1 12 ILE H 1 12 ILE MD 3.740 . 4.300 3.611 3.518 3.684 . 0 0 "[ . 1 . 2]" 1 262 1 12 ILE H 1 12 ILE HG12 3.680 . 4.230 3.414 3.357 3.533 . 0 0 "[ . 1 . 2]" 1 263 1 12 ILE H 1 12 ILE QG 3.030 . 3.480 2.148 2.037 2.255 . 0 0 "[ . 1 . 2]" 1 264 1 12 ILE H 1 12 ILE HG13 3.680 . 4.230 2.171 2.055 2.281 . 0 0 "[ . 1 . 2]" 1 265 1 12 ILE H 1 12 ILE MG 3.970 . 4.570 3.794 3.770 3.823 . 0 0 "[ . 1 . 2]" 1 266 1 12 ILE H 1 13 ALA H 3.630 . 4.170 2.635 2.566 2.716 . 0 0 "[ . 1 . 2]" 1 267 1 12 ILE H 1 13 ALA MB 4.470 . 5.140 4.289 4.230 4.384 . 0 0 "[ . 1 . 2]" 1 268 1 12 ILE H 1 23 ILE MD 4.740 . 5.450 4.229 3.958 4.457 . 0 0 "[ . 1 . 2]" 1 269 1 12 ILE HA 1 12 ILE MD 3.980 . 4.580 3.854 3.800 3.918 . 0 0 "[ . 1 . 2]" 1 270 1 12 ILE HA 1 12 ILE QG 3.660 . 4.210 2.401 2.358 2.485 . 0 0 "[ . 1 . 2]" 1 271 1 12 ILE HA 1 12 ILE MG 3.320 . 3.820 2.546 2.488 2.607 . 0 0 "[ . 1 . 2]" 1 272 1 12 ILE HA 1 13 ALA MB 5.110 . 5.880 5.049 5.025 5.084 . 0 0 "[ . 1 . 2]" 1 273 1 12 ILE HA 1 15 THR H 4.620 . 5.310 3.633 3.307 3.952 . 0 0 "[ . 1 . 2]" 1 274 1 12 ILE HA 1 15 THR HB 4.450 . 5.120 3.089 2.338 4.580 . 0 0 "[ . 1 . 2]" 1 275 1 12 ILE HA 1 15 THR MG 4.410 . 5.070 4.072 3.438 4.552 . 0 0 "[ . 1 . 2]" 1 276 1 12 ILE HA 1 23 ILE MD 5.500 . 6.330 4.774 4.471 5.188 . 0 0 "[ . 1 . 2]" 1 277 1 12 ILE HA 1 43 ILE MG 4.150 . 4.770 3.115 2.560 3.538 . 0 0 "[ . 1 . 2]" 1 278 1 12 ILE HA 1 47 ILE MD 5.500 . 6.330 5.512 5.065 5.702 . 0 0 "[ . 1 . 2]" 1 279 1 12 ILE HB 1 12 ILE MD 3.130 . 3.600 2.503 2.453 2.551 . 0 0 "[ . 1 . 2]" 1 280 1 12 ILE HB 1 13 ALA H 3.560 . 4.090 2.792 2.629 2.915 . 0 0 "[ . 1 . 2]" 1 281 1 12 ILE MD 1 77 LEU HB3 4.040 . 4.650 3.573 3.176 4.075 . 0 0 "[ . 1 . 2]" 1 282 1 12 ILE MD 1 77 LEU HG 4.640 . 5.340 4.295 4.035 4.502 . 0 0 "[ . 1 . 2]" 1 283 1 12 ILE MD 1 80 LEU HB2 4.380 . 5.040 4.926 4.601 5.109 0.069 6 0 "[ . 1 . 2]" 1 284 1 12 ILE MD 1 80 LEU MD2 3.490 . 4.010 2.182 1.904 2.438 . 0 0 "[ . 1 . 2]" 1 285 1 12 ILE QG 1 43 ILE MD 4.010 . 4.610 2.091 1.810 2.682 . 0 0 "[ . 1 . 2]" 1 286 1 12 ILE QG 1 43 ILE HG12 4.440 . 5.110 3.292 2.750 4.112 . 0 0 "[ . 1 . 2]" 1 287 1 12 ILE QG 1 43 ILE MG 4.010 . 4.610 2.017 1.844 2.142 . 0 0 "[ . 1 . 2]" 1 288 1 12 ILE QG 1 77 LEU MD2 4.180 . 4.810 3.805 3.713 3.909 . 0 0 "[ . 1 . 2]" 1 289 1 12 ILE HG12 1 77 LEU MD2 5.020 . 5.770 4.214 4.063 4.347 . 0 0 "[ . 1 . 2]" 1 290 1 12 ILE HG13 1 77 LEU MD2 5.020 . 5.770 4.349 4.051 4.566 . 0 0 "[ . 1 . 2]" 1 291 1 12 ILE MG 1 13 ALA H 4.040 . 4.650 3.532 3.254 3.672 . 0 0 "[ . 1 . 2]" 1 292 1 12 ILE MG 1 14 GLU H 5.500 . 6.330 5.305 5.102 5.490 . 0 0 "[ . 1 . 2]" 1 293 1 12 ILE MG 1 15 THR H 4.680 . 5.380 5.027 4.732 5.392 0.012 13 0 "[ . 1 . 2]" 1 294 1 13 ALA H 1 13 ALA MB 3.010 . 3.460 2.249 2.233 2.265 . 0 0 "[ . 1 . 2]" 1 295 1 13 ALA H 1 14 GLU H 3.510 . 4.040 2.837 2.781 2.896 . 0 0 "[ . 1 . 2]" 1 296 1 13 ALA H 1 18 ILE H 5.070 . 5.830 5.139 4.863 5.466 . 0 0 "[ . 1 . 2]" 1 297 1 13 ALA H 1 23 ILE MD 3.480 . 4.000 2.896 2.689 3.078 . 0 0 "[ . 1 . 2]" 1 298 1 13 ALA HA 1 18 ILE H 5.500 . 6.330 2.680 2.250 3.140 . 0 0 "[ . 1 . 2]" 1 299 1 13 ALA MB 1 14 GLU H 3.330 . 3.830 2.373 2.266 2.467 . 0 0 "[ . 1 . 2]" 1 300 1 13 ALA MB 1 14 GLU HG2 4.530 . 5.210 3.469 2.650 4.098 . 0 0 "[ . 1 . 2]" 1 301 1 13 ALA MB 1 14 GLU QG 3.960 . 4.550 2.870 2.513 3.815 . 0 0 "[ . 1 . 2]" 1 302 1 13 ALA MB 1 14 GLU HG3 4.530 . 5.210 3.680 2.555 5.249 0.039 3 0 "[ . 1 . 2]" 1 303 1 13 ALA MB 1 18 ILE H 3.930 . 4.520 4.037 3.499 4.555 0.035 1 0 "[ . 1 . 2]" 1 304 1 13 ALA MB 1 18 ILE MG 4.940 . 5.680 4.366 3.941 4.705 . 0 0 "[ . 1 . 2]" 1 305 1 13 ALA MB 1 19 PRO HA 4.520 . 5.200 4.078 3.693 4.779 . 0 0 "[ . 1 . 2]" 1 306 1 13 ALA MB 1 20 ARG H 3.740 . 4.300 3.582 3.059 3.943 . 0 0 "[ . 1 . 2]" 1 307 1 13 ALA MB 1 20 ARG HA 3.900 . 4.490 3.225 2.158 3.829 . 0 0 "[ . 1 . 2]" 1 308 1 13 ALA MB 1 20 ARG QB 4.200 . 4.830 3.444 2.168 4.532 . 0 0 "[ . 1 . 2]" 1 309 1 13 ALA MB 1 20 ARG HD2 4.220 . 4.850 3.079 2.191 4.613 . 0 0 "[ . 1 . 2]" 1 310 1 13 ALA MB 1 20 ARG QD 3.530 . 4.060 2.472 1.972 3.683 . 0 0 "[ . 1 . 2]" 1 311 1 13 ALA MB 1 20 ARG HD3 4.220 . 4.850 2.721 2.093 3.898 . 0 0 "[ . 1 . 2]" 1 312 1 13 ALA MB 1 23 ILE MD 2.840 . 3.270 2.112 1.996 2.282 . 0 0 "[ . 1 . 2]" 1 313 1 13 ALA MB 1 23 ILE HG13 4.640 . 5.340 4.162 3.945 4.410 . 0 0 "[ . 1 . 2]" 1 314 1 14 GLU H 1 14 GLU HB2 3.850 . 4.430 2.551 2.408 3.618 . 0 0 "[ . 1 . 2]" 1 315 1 14 GLU H 1 14 GLU QB 3.360 . 3.860 2.457 2.373 2.605 . 0 0 "[ . 1 . 2]" 1 316 1 14 GLU H 1 14 GLU HB3 3.850 . 4.430 3.556 2.607 3.643 . 0 0 "[ . 1 . 2]" 1 317 1 14 GLU H 1 14 GLU HG2 3.830 . 4.400 2.871 2.031 3.624 . 0 0 "[ . 1 . 2]" 1 318 1 14 GLU H 1 14 GLU QG 3.270 . 3.760 2.243 2.015 2.401 . 0 0 "[ . 1 . 2]" 1 319 1 14 GLU H 1 14 GLU HG3 3.830 . 4.400 2.985 2.150 3.776 . 0 0 "[ . 1 . 2]" 1 320 1 14 GLU H 1 15 THR H 3.320 . 3.820 2.607 2.495 2.709 . 0 0 "[ . 1 . 2]" 1 321 1 14 GLU H 1 23 ILE MD 5.500 . 6.330 4.809 4.661 4.966 . 0 0 "[ . 1 . 2]" 1 322 1 14 GLU HA 1 14 GLU QG 3.550 . 4.080 2.774 2.404 3.374 . 0 0 "[ . 1 . 2]" 1 323 1 14 GLU HA 1 17 ASP H 4.250 . 4.890 3.977 3.690 4.183 . 0 0 "[ . 1 . 2]" 1 324 1 14 GLU QB 1 15 THR H 4.030 . 4.630 2.782 2.411 3.581 . 0 0 "[ . 1 . 2]" 1 325 1 14 GLU QG 1 15 THR H 4.530 . 5.210 4.049 2.393 4.315 . 0 0 "[ . 1 . 2]" 1 326 1 15 THR H 1 15 THR HB 3.520 . 4.050 2.746 2.406 3.634 . 0 0 "[ . 1 . 2]" 1 327 1 15 THR H 1 15 THR MG 4.030 . 4.630 3.558 2.499 3.817 . 0 0 "[ . 1 . 2]" 1 328 1 15 THR H 1 16 CYS H 3.720 . 4.280 2.719 2.629 2.845 . 0 0 "[ . 1 . 2]" 1 329 1 15 THR H 1 17 ASP H 4.430 . 5.090 3.752 3.481 3.935 . 0 0 "[ . 1 . 2]" 1 330 1 15 THR HA 1 15 THR MG 2.990 . 3.440 2.440 2.339 2.540 . 0 0 "[ . 1 . 2]" 1 331 1 15 THR HB 1 16 CYS H 3.880 . 4.460 2.491 2.222 3.213 . 0 0 "[ . 1 . 2]" 1 332 1 15 THR HB 1 43 ILE HA 4.690 . 5.390 3.594 3.012 4.118 . 0 0 "[ . 1 . 2]" 1 333 1 15 THR HB 1 43 ILE MD 5.130 . 5.900 3.980 3.458 4.396 . 0 0 "[ . 1 . 2]" 1 334 1 15 THR HB 1 43 ILE HG12 4.200 . 4.830 2.763 2.449 3.174 . 0 0 "[ . 1 . 2]" 1 335 1 15 THR HB 1 43 ILE HG13 4.740 . 5.450 3.843 3.237 4.334 . 0 0 "[ . 1 . 2]" 1 336 1 15 THR MG 1 16 CYS H 4.380 . 5.040 3.363 2.973 3.959 . 0 0 "[ . 1 . 2]" 1 337 1 15 THR MG 1 42 ASP H 4.450 . 5.120 4.513 4.002 5.248 0.128 19 0 "[ . 1 . 2]" 1 338 1 15 THR MG 1 42 ASP HA 4.590 . 5.280 4.152 3.666 4.418 . 0 0 "[ . 1 . 2]" 1 339 1 15 THR MG 1 42 ASP HB2 3.800 . 4.370 3.410 2.215 4.604 0.234 15 0 "[ . 1 . 2]" 1 340 1 15 THR MG 1 42 ASP QB 3.300 . 3.800 2.545 2.005 3.461 . 0 0 "[ . 1 . 2]" 1 341 1 15 THR MG 1 42 ASP HB3 3.800 . 4.370 2.673 2.202 3.608 . 0 0 "[ . 1 . 2]" 1 342 1 15 THR MG 1 43 ILE H 4.220 . 4.850 3.179 2.690 3.786 . 0 0 "[ . 1 . 2]" 1 343 1 15 THR MG 1 43 ILE HA 3.760 . 4.320 2.400 1.825 3.101 . 0 0 "[ . 1 . 2]" 1 344 1 15 THR MG 1 43 ILE HB 5.090 . 5.850 4.333 4.009 4.903 . 0 0 "[ . 1 . 2]" 1 345 1 15 THR MG 1 43 ILE HG12 4.130 . 4.750 2.698 1.990 3.538 . 0 0 "[ . 1 . 2]" 1 346 1 15 THR MG 1 46 ALA MB 3.900 . 4.490 3.212 2.129 4.411 . 0 0 "[ . 1 . 2]" 1 347 1 16 CYS H 1 16 CYS HB2 4.140 . 4.760 2.582 2.458 2.728 . 0 0 "[ . 1 . 2]" 1 348 1 16 CYS H 1 16 CYS QB 3.540 . 4.070 2.410 2.232 2.645 . 0 0 "[ . 1 . 2]" 1 349 1 16 CYS H 1 16 CYS HB3 4.140 . 4.760 3.170 2.385 3.640 . 0 0 "[ . 1 . 2]" 1 350 1 16 CYS H 1 17 ASP H 3.600 . 4.140 2.564 2.461 2.705 . 0 0 "[ . 1 . 2]" 1 351 1 16 CYS H 1 17 ASP HA 4.840 . 5.570 4.703 4.526 4.896 . 0 0 "[ . 1 . 2]" 1 352 1 16 CYS H 1 18 ILE MD 4.300 . 4.950 4.586 4.264 4.937 . 0 0 "[ . 1 . 2]" 1 353 1 16 CYS QB 1 18 ILE H 4.490 . 5.160 3.519 2.511 4.338 . 0 0 "[ . 1 . 2]" 1 354 1 16 CYS QB 1 18 ILE HB 4.420 . 5.080 3.631 2.835 4.208 . 0 0 "[ . 1 . 2]" 1 355 1 16 CYS QB 1 18 ILE MD 3.310 . 3.810 2.445 2.226 2.777 . 0 0 "[ . 1 . 2]" 1 356 1 16 CYS QB 1 18 ILE QG 3.980 . 4.580 2.229 1.906 2.480 . 0 0 "[ . 1 . 2]" 1 357 1 16 CYS HB2 1 17 ASP H 4.640 . 5.340 3.958 3.467 4.455 . 0 0 "[ . 1 . 2]" 1 358 1 16 CYS HB2 1 18 ILE HB 5.140 . 5.910 4.391 2.889 5.900 . 0 0 "[ . 1 . 2]" 1 359 1 16 CYS HB2 1 18 ILE MD 3.770 . 4.340 2.970 2.370 3.791 . 0 0 "[ . 1 . 2]" 1 360 1 16 CYS HB3 1 17 ASP H 4.640 . 5.340 4.102 3.450 4.514 . 0 0 "[ . 1 . 2]" 1 361 1 16 CYS HB3 1 18 ILE HB 5.140 . 5.910 4.508 3.575 5.670 . 0 0 "[ . 1 . 2]" 1 362 1 16 CYS HB3 1 18 ILE MD 3.770 . 4.340 2.756 2.303 3.038 . 0 0 "[ . 1 . 2]" 1 363 1 17 ASP H 1 17 ASP HB2 4.140 . 4.760 3.313 2.991 3.620 . 0 0 "[ . 1 . 2]" 1 364 1 17 ASP H 1 17 ASP QB 3.630 . 4.170 3.131 2.848 3.390 . 0 0 "[ . 1 . 2]" 1 365 1 17 ASP H 1 17 ASP HB3 4.140 . 4.760 3.859 3.567 4.130 . 0 0 "[ . 1 . 2]" 1 366 1 17 ASP H 1 18 ILE H 3.710 . 4.270 2.861 2.624 3.191 . 0 0 "[ . 1 . 2]" 1 367 1 17 ASP HA 1 18 ILE H 3.490 . 4.010 2.710 2.289 3.066 . 0 0 "[ . 1 . 2]" 1 368 1 17 ASP QB 1 18 ILE H 4.270 . 4.910 3.925 3.736 4.096 . 0 0 "[ . 1 . 2]" 1 369 1 18 ILE H 1 18 ILE HB 3.550 . 4.080 2.621 2.379 2.862 . 0 0 "[ . 1 . 2]" 1 370 1 18 ILE H 1 18 ILE MD 4.220 . 4.850 3.971 3.696 4.337 . 0 0 "[ . 1 . 2]" 1 371 1 18 ILE H 1 18 ILE HG12 4.340 . 4.990 3.764 3.413 4.101 . 0 0 "[ . 1 . 2]" 1 372 1 18 ILE H 1 18 ILE HG13 4.340 . 4.990 2.648 2.236 3.116 . 0 0 "[ . 1 . 2]" 1 373 1 18 ILE H 1 18 ILE MG 4.000 . 4.600 3.881 3.778 3.994 . 0 0 "[ . 1 . 2]" 1 374 1 18 ILE HA 1 18 ILE MD 4.110 . 4.730 3.891 3.819 3.946 . 0 0 "[ . 1 . 2]" 1 375 1 18 ILE HA 1 18 ILE MG 3.440 . 3.960 2.485 2.400 2.606 . 0 0 "[ . 1 . 2]" 1 376 1 18 ILE HA 1 19 PRO HD2 3.490 . 4.010 2.337 1.929 2.726 . 0 0 "[ . 1 . 2]" 1 377 1 18 ILE HA 1 19 PRO QD 3.050 . 3.510 2.009 1.900 2.086 . 0 0 "[ . 1 . 2]" 1 378 1 18 ILE HA 1 19 PRO HD3 3.490 . 4.010 2.385 2.026 2.872 . 0 0 "[ . 1 . 2]" 1 379 1 18 ILE HA 1 19 PRO HG2 4.560 . 5.240 4.410 4.063 4.583 . 0 0 "[ . 1 . 2]" 1 380 1 18 ILE HA 1 19 PRO HG3 4.560 . 5.240 4.435 4.220 4.622 . 0 0 "[ . 1 . 2]" 1 381 1 18 ILE HB 1 18 ILE MD 3.270 . 3.760 2.501 2.473 2.552 . 0 0 "[ . 1 . 2]" 1 382 1 18 ILE HB 1 19 PRO QD 4.830 . 5.550 4.220 4.114 4.369 . 0 0 "[ . 1 . 2]" 1 383 1 18 ILE HB 1 23 ILE MD 3.580 . 4.120 2.491 2.194 2.846 . 0 0 "[ . 1 . 2]" 1 384 1 18 ILE MD 1 33 LEU HA 3.980 . 4.580 3.572 3.009 4.314 . 0 0 "[ . 1 . 2]" 1 385 1 18 ILE MD 1 33 LEU HB3 4.120 . 4.740 2.132 1.852 2.582 . 0 0 "[ . 1 . 2]" 1 386 1 18 ILE MD 1 34 GLY H 5.500 . 6.330 5.280 4.749 5.854 . 0 0 "[ . 1 . 2]" 1 387 1 18 ILE QG 1 18 ILE MG 3.050 . 3.510 2.415 2.380 2.473 . 0 0 "[ . 1 . 2]" 1 388 1 18 ILE QG 1 19 PRO QD 4.170 . 4.800 3.730 3.395 3.973 . 0 0 "[ . 1 . 2]" 1 389 1 18 ILE HG12 1 18 ILE MG 3.490 . 4.010 2.488 2.447 2.562 . 0 0 "[ . 1 . 2]" 1 390 1 18 ILE HG13 1 18 ILE MG 3.490 . 4.010 3.261 3.253 3.267 . 0 0 "[ . 1 . 2]" 1 391 1 18 ILE MG 1 19 PRO HA 4.350 . 5.000 4.310 4.078 4.486 . 0 0 "[ . 1 . 2]" 1 392 1 18 ILE MG 1 19 PRO HD2 3.570 . 4.110 2.510 2.274 2.900 . 0 0 "[ . 1 . 2]" 1 393 1 18 ILE MG 1 19 PRO QD 3.100 . 3.570 2.464 2.239 2.821 . 0 0 "[ . 1 . 2]" 1 394 1 18 ILE MG 1 19 PRO HD3 3.570 . 4.110 3.639 3.337 4.036 . 0 0 "[ . 1 . 2]" 1 395 1 18 ILE MG 1 19 PRO QG 4.590 . 5.280 3.722 2.781 4.382 . 0 0 "[ . 1 . 2]" 1 396 1 18 ILE MG 1 21 GLU H 5.500 . 6.330 5.490 5.199 5.794 . 0 0 "[ . 1 . 2]" 1 397 1 18 ILE MG 1 22 THR H 4.300 . 4.950 4.148 3.824 4.726 . 0 0 "[ . 1 . 2]" 1 398 1 18 ILE MG 1 22 THR HB 5.170 . 5.950 3.881 3.025 4.783 . 0 0 "[ . 1 . 2]" 1 399 1 18 ILE MG 1 22 THR MG 4.240 . 4.880 4.087 3.694 4.897 0.017 11 0 "[ . 1 . 2]" 1 400 1 18 ILE MG 1 23 ILE H 4.180 . 4.810 3.851 3.463 4.211 . 0 0 "[ . 1 . 2]" 1 401 1 18 ILE MG 1 23 ILE HG13 3.430 . 3.940 2.233 2.074 2.420 . 0 0 "[ . 1 . 2]" 1 402 1 18 ILE MG 1 33 LEU HB3 4.560 . 5.240 3.771 3.418 4.363 . 0 0 "[ . 1 . 2]" 1 403 1 19 PRO HA 1 20 ARG H 3.060 . 3.520 2.180 2.085 2.256 . 0 0 "[ . 1 . 2]" 1 404 1 19 PRO HA 1 20 ARG HA 4.510 . 5.190 4.412 4.341 4.497 . 0 0 "[ . 1 . 2]" 1 405 1 19 PRO HA 1 20 ARG QB 4.590 . 5.280 4.237 3.879 4.562 . 0 0 "[ . 1 . 2]" 1 406 1 19 PRO HB2 1 21 GLU HG2 2.870 . 3.300 2.280 1.782 3.080 0.018 14 0 "[ . 1 . 2]" 1 407 1 19 PRO HB2 1 21 GLU HG3 3.990 . 4.590 2.954 2.697 3.482 . 0 0 "[ . 1 . 2]" 1 408 1 19 PRO HB2 1 22 THR H 3.860 . 4.440 2.760 2.365 3.385 . 0 0 "[ . 1 . 2]" 1 409 1 19 PRO HB2 1 22 THR HB 5.500 . 6.330 4.818 4.172 6.024 . 0 0 "[ . 1 . 2]" 1 410 1 19 PRO HB2 1 22 THR MG 3.240 . 3.730 2.737 2.059 3.784 0.054 5 0 "[ . 1 . 2]" 1 411 1 19 PRO HB3 1 20 ARG H 4.050 . 4.660 3.662 3.203 4.016 . 0 0 "[ . 1 . 2]" 1 412 1 19 PRO HB3 1 21 GLU HB3 5.280 . 6.070 5.149 4.432 6.138 0.068 2 0 "[ . 1 . 2]" 1 413 1 19 PRO HB3 1 22 THR H 5.260 . 6.050 4.261 3.676 4.969 . 0 0 "[ . 1 . 2]" 1 414 1 19 PRO QD 1 22 THR MG 4.190 . 4.820 3.671 2.982 4.796 . 0 0 "[ . 1 . 2]" 1 415 1 19 PRO QG 1 22 THR MG 3.350 . 3.850 2.818 2.136 3.483 . 0 0 "[ . 1 . 2]" 1 416 1 19 PRO HG2 1 22 THR MG 4.180 . 4.810 2.891 2.169 3.564 . 0 0 "[ . 1 . 2]" 1 417 1 19 PRO HG3 1 22 THR MG 4.180 . 4.810 3.979 3.024 4.905 0.095 19 0 "[ . 1 . 2]" 1 418 1 20 ARG H 1 20 ARG QB 3.090 . 3.550 2.297 2.074 2.504 . 0 0 "[ . 1 . 2]" 1 419 1 20 ARG H 1 20 ARG QG 4.540 . 5.220 3.216 2.184 4.071 . 0 0 "[ . 1 . 2]" 1 420 1 20 ARG H 1 21 GLU H 3.810 . 4.380 2.684 2.547 2.785 . 0 0 "[ . 1 . 2]" 1 421 1 20 ARG H 1 23 ILE MD 4.360 . 5.010 4.028 3.778 4.377 . 0 0 "[ . 1 . 2]" 1 422 1 20 ARG HA 1 20 ARG HD2 4.080 . 4.690 2.450 2.072 3.924 . 0 0 "[ . 1 . 2]" 1 423 1 20 ARG HA 1 20 ARG QD 3.550 . 4.080 2.332 2.058 3.736 . 0 0 "[ . 1 . 2]" 1 424 1 20 ARG HA 1 20 ARG HD3 4.080 . 4.690 3.406 2.632 4.710 0.020 9 0 "[ . 1 . 2]" 1 425 1 20 ARG HA 1 20 ARG HE 5.500 . 6.330 4.100 2.848 4.994 . 0 0 "[ . 1 . 2]" 1 426 1 20 ARG HA 1 23 ILE H 4.540 . 5.220 3.361 2.637 3.888 . 0 0 "[ . 1 . 2]" 1 427 1 20 ARG HA 1 23 ILE HB 4.260 . 4.900 2.589 1.918 3.408 . 0 0 "[ . 1 . 2]" 1 428 1 20 ARG HA 1 23 ILE MD 3.190 . 3.670 2.137 1.979 2.318 . 0 0 "[ . 1 . 2]" 1 429 1 20 ARG HA 1 23 ILE HG13 4.260 . 4.900 2.945 2.494 3.251 . 0 0 "[ . 1 . 2]" 1 430 1 20 ARG QB 1 20 ARG QD 3.320 . 3.820 2.548 2.294 2.868 . 0 0 "[ . 1 . 2]" 1 431 1 20 ARG QB 1 20 ARG HE 4.420 . 5.080 3.425 1.990 4.354 . 0 0 "[ . 1 . 2]" 1 432 1 20 ARG QB 1 21 GLU H 3.800 . 4.370 2.806 2.584 3.008 . 0 0 "[ . 1 . 2]" 1 433 1 20 ARG HB2 1 21 GLU H 4.390 . 5.050 3.460 2.774 4.115 . 0 0 "[ . 1 . 2]" 1 434 1 20 ARG HB3 1 21 GLU H 4.390 . 5.050 3.302 2.645 4.003 . 0 0 "[ . 1 . 2]" 1 435 1 20 ARG QD 1 23 ILE MD 3.690 . 4.240 2.400 1.788 3.683 0.012 19 0 "[ . 1 . 2]" 1 436 1 20 ARG HD2 1 23 ILE MD 4.390 . 5.050 2.615 1.796 5.062 0.012 2 0 "[ . 1 . 2]" 1 437 1 20 ARG HD3 1 23 ILE MD 4.390 . 5.050 3.299 2.486 3.921 . 0 0 "[ . 1 . 2]" 1 438 1 20 ARG HE 1 23 ILE MD 4.470 . 5.140 4.315 3.155 5.223 0.083 9 0 "[ . 1 . 2]" 1 439 1 20 ARG QG 1 20 ARG HH11 4.110 . 4.730 3.169 2.508 4.072 . 0 0 "[ . 1 . 2]" 1 440 1 20 ARG QG 1 21 GLU H 4.870 . 5.600 4.115 3.708 4.498 . 0 0 "[ . 1 . 2]" 1 441 1 20 ARG HG2 1 20 ARG HH11 4.720 . 5.430 3.798 2.799 4.651 . 0 0 "[ . 1 . 2]" 1 442 1 20 ARG HG3 1 20 ARG HH11 4.720 . 5.430 3.656 2.566 4.649 . 0 0 "[ . 1 . 2]" 1 443 1 20 ARG HH11 1 23 ILE HB 5.500 . 6.330 5.401 2.340 6.497 0.167 14 0 "[ . 1 . 2]" 1 444 1 21 GLU H 1 21 GLU HB3 3.040 . 3.500 2.576 2.469 2.643 . 0 0 "[ . 1 . 2]" 1 445 1 21 GLU H 1 21 GLU HG2 3.560 . 4.090 2.080 1.883 2.211 . 0 0 "[ . 1 . 2]" 1 446 1 21 GLU H 1 21 GLU HG3 4.150 . 4.770 3.298 3.125 3.523 . 0 0 "[ . 1 . 2]" 1 447 1 21 GLU H 1 22 THR H 3.640 . 4.190 2.706 2.645 2.797 . 0 0 "[ . 1 . 2]" 1 448 1 21 GLU H 1 22 THR MG 4.370 . 5.030 4.339 4.095 4.538 . 0 0 "[ . 1 . 2]" 1 449 1 21 GLU H 1 23 ILE H 4.620 . 5.310 4.001 3.855 4.149 . 0 0 "[ . 1 . 2]" 1 450 1 21 GLU H 1 23 ILE MD 5.500 . 6.330 5.094 5.006 5.217 . 0 0 "[ . 1 . 2]" 1 451 1 21 GLU HA 1 21 GLU HG2 3.780 . 4.350 3.772 3.697 3.851 . 0 0 "[ . 1 . 2]" 1 452 1 21 GLU HA 1 21 GLU HG3 4.020 . 4.620 3.827 3.761 3.883 . 0 0 "[ . 1 . 2]" 1 453 1 21 GLU HA 1 23 ILE H 4.550 . 5.230 4.118 3.897 4.284 . 0 0 "[ . 1 . 2]" 1 454 1 21 GLU HB2 1 21 GLU HG3 2.880 . 3.310 2.464 2.413 2.556 . 0 0 "[ . 1 . 2]" 1 455 1 21 GLU HB2 1 22 THR H 4.600 . 5.290 3.918 3.799 4.162 . 0 0 "[ . 1 . 2]" 1 456 1 21 GLU HB2 1 22 THR MG 4.430 . 5.090 4.003 3.750 4.340 . 0 0 "[ . 1 . 2]" 1 457 1 21 GLU HB3 1 22 THR H 4.870 . 5.600 4.105 3.964 4.293 . 0 0 "[ . 1 . 2]" 1 458 1 21 GLU HB3 1 22 THR MG 4.820 . 5.540 4.697 4.531 4.874 . 0 0 "[ . 1 . 2]" 1 459 1 21 GLU HG2 1 22 THR H 4.180 . 4.810 2.773 2.529 3.141 . 0 0 "[ . 1 . 2]" 1 460 1 21 GLU HG2 1 22 THR MG 3.710 . 4.270 3.141 2.922 3.294 . 0 0 "[ . 1 . 2]" 1 461 1 21 GLU HG3 1 22 THR H 4.650 . 5.350 2.569 2.223 3.045 . 0 0 "[ . 1 . 2]" 1 462 1 21 GLU HG3 1 22 THR HA 4.460 . 5.130 3.777 3.513 4.232 . 0 0 "[ . 1 . 2]" 1 463 1 21 GLU HG3 1 22 THR MG 3.900 . 4.490 2.005 1.774 2.328 0.026 19 0 "[ . 1 . 2]" 1 464 1 22 THR H 1 22 THR MG 3.370 . 3.880 2.561 2.389 2.769 . 0 0 "[ . 1 . 2]" 1 465 1 22 THR H 1 23 ILE H 3.290 . 3.780 2.365 2.093 2.569 . 0 0 "[ . 1 . 2]" 1 466 1 22 THR H 1 23 ILE MD 4.980 . 5.730 4.920 4.789 5.084 . 0 0 "[ . 1 . 2]" 1 467 1 22 THR HA 1 22 THR MG 3.030 . 3.480 2.394 2.342 2.480 . 0 0 "[ . 1 . 2]" 1 468 1 22 THR HB 1 23 ILE H 4.710 . 5.420 4.193 3.968 4.453 . 0 0 "[ . 1 . 2]" 1 469 1 22 THR HB 1 23 ILE HG13 5.500 . 6.330 5.057 4.744 5.376 . 0 0 "[ . 1 . 2]" 1 470 1 22 THR MG 1 23 ILE H 4.310 . 4.960 4.215 4.026 4.389 . 0 0 "[ . 1 . 2]" 1 471 1 23 ILE H 1 23 ILE HB 3.250 . 3.740 2.417 2.286 2.569 . 0 0 "[ . 1 . 2]" 1 472 1 23 ILE H 1 23 ILE MD 3.920 . 4.510 3.795 3.654 4.059 . 0 0 "[ . 1 . 2]" 1 473 1 23 ILE H 1 23 ILE HG12 4.070 . 4.680 3.710 3.449 3.962 . 0 0 "[ . 1 . 2]" 1 474 1 23 ILE H 1 23 ILE HG13 3.400 . 3.910 2.525 2.221 2.882 . 0 0 "[ . 1 . 2]" 1 475 1 23 ILE H 1 23 ILE MG 4.000 . 4.600 3.779 3.712 3.844 . 0 0 "[ . 1 . 2]" 1 476 1 23 ILE HA 1 23 ILE MD 3.760 . 4.320 3.850 3.797 3.908 . 0 0 "[ . 1 . 2]" 1 477 1 23 ILE HA 1 23 ILE MG 3.390 . 3.900 2.562 2.473 2.669 . 0 0 "[ . 1 . 2]" 1 478 1 23 ILE HA 1 24 THR H 3.450 . 3.970 2.158 2.084 2.205 . 0 0 "[ . 1 . 2]" 1 479 1 23 ILE HA 1 24 THR MG 4.650 . 5.350 3.955 3.743 4.313 . 0 0 "[ . 1 . 2]" 1 480 1 23 ILE HA 1 33 LEU MD1 4.770 . 5.490 3.936 3.465 4.467 . 0 0 "[ . 1 . 2]" 1 481 1 23 ILE HA 1 33 LEU MD2 3.990 . 4.590 3.016 2.530 3.860 . 0 0 "[ . 1 . 2]" 1 482 1 23 ILE HA 1 77 LEU MD1 3.680 . 4.230 3.210 2.883 3.962 . 0 0 "[ . 1 . 2]" 1 483 1 23 ILE HB 1 23 ILE MD 3.200 . 3.680 2.497 2.467 2.537 . 0 0 "[ . 1 . 2]" 1 484 1 23 ILE MD 1 77 LEU HB3 5.500 . 6.330 5.892 5.467 6.073 . 0 0 "[ . 1 . 2]" 1 485 1 23 ILE HG12 1 24 THR MG 5.500 . 6.330 6.078 5.897 6.365 0.035 1 0 "[ . 1 . 2]" 1 486 1 23 ILE HG12 1 77 LEU MD1 4.510 . 5.190 3.366 2.879 3.923 . 0 0 "[ . 1 . 2]" 1 487 1 23 ILE HG13 1 77 LEU MD1 4.440 . 5.110 4.664 4.279 5.114 0.004 2 0 "[ . 1 . 2]" 1 488 1 23 ILE MG 1 24 THR H 3.840 . 4.420 3.066 2.710 3.263 . 0 0 "[ . 1 . 2]" 1 489 1 23 ILE MG 1 24 THR HA 4.630 . 5.320 3.685 3.406 3.988 . 0 0 "[ . 1 . 2]" 1 490 1 23 ILE MG 1 24 THR MG 3.890 . 4.470 4.518 4.345 4.641 0.171 2 0 "[ . 1 . 2]" 1 491 1 23 ILE MG 1 25 PRO HD3 4.110 . 4.730 4.627 4.106 4.851 0.121 14 0 "[ . 1 . 2]" 1 492 1 23 ILE MG 1 77 LEU HB3 4.630 . 5.320 3.865 3.560 4.054 . 0 0 "[ . 1 . 2]" 1 493 1 23 ILE MG 1 77 LEU MD1 2.820 . 3.240 1.899 1.796 2.064 0.004 20 0 "[ . 1 . 2]" 1 494 1 23 ILE MG 1 77 LEU HG 4.420 . 5.080 4.329 4.125 4.551 . 0 0 "[ . 1 . 2]" 1 495 1 24 THR H 1 24 THR MG 3.730 . 4.290 2.941 2.479 3.489 . 0 0 "[ . 1 . 2]" 1 496 1 24 THR H 1 27 SER H 4.430 . 5.090 3.856 3.525 4.272 . 0 0 "[ . 1 . 2]" 1 497 1 24 THR H 1 33 LEU MD2 4.280 . 4.920 3.754 3.433 4.278 . 0 0 "[ . 1 . 2]" 1 498 1 24 THR HA 1 24 THR MG 3.290 . 3.780 2.405 2.310 2.479 . 0 0 "[ . 1 . 2]" 1 499 1 24 THR HA 1 25 PRO HA 4.820 . 5.540 4.517 4.439 4.585 . 0 0 "[ . 1 . 2]" 1 500 1 24 THR HA 1 25 PRO HD2 3.600 . 4.140 2.600 2.238 2.981 . 0 0 "[ . 1 . 2]" 1 501 1 24 THR HA 1 25 PRO HD3 3.790 . 4.360 2.407 2.108 2.764 . 0 0 "[ . 1 . 2]" 1 502 1 24 THR HA 1 25 PRO HG2 4.720 . 5.430 4.620 4.425 4.724 . 0 0 "[ . 1 . 2]" 1 503 1 24 THR HA 1 25 PRO HG3 4.760 . 5.470 4.526 4.241 4.810 . 0 0 "[ . 1 . 2]" 1 504 1 24 THR HA 1 26 GLU H 4.500 . 5.180 4.175 3.960 4.489 . 0 0 "[ . 1 . 2]" 1 505 1 24 THR HA 1 27 SER H 4.890 . 5.620 4.713 4.515 4.914 . 0 0 "[ . 1 . 2]" 1 506 1 24 THR HB 1 25 PRO HD2 3.840 . 4.420 2.393 2.017 2.685 . 0 0 "[ . 1 . 2]" 1 507 1 24 THR HB 1 25 PRO HD3 3.700 . 4.260 3.627 3.139 4.129 . 0 0 "[ . 1 . 2]" 1 508 1 24 THR HB 1 25 PRO HG2 4.300 . 4.950 4.287 3.512 4.947 . 0 0 "[ . 1 . 2]" 1 509 1 24 THR HB 1 25 PRO HG3 5.020 . 5.770 5.007 4.500 5.382 . 0 0 "[ . 1 . 2]" 1 510 1 24 THR HB 1 26 GLU H 4.020 . 4.620 2.756 2.409 3.024 . 0 0 "[ . 1 . 2]" 1 511 1 24 THR MG 1 25 PRO HD2 3.860 . 4.440 3.419 3.126 3.762 . 0 0 "[ . 1 . 2]" 1 512 1 24 THR MG 1 25 PRO HD3 4.280 . 4.920 4.014 3.299 4.399 . 0 0 "[ . 1 . 2]" 1 513 1 24 THR MG 1 25 PRO HG2 5.500 . 6.330 5.238 4.895 5.688 . 0 0 "[ . 1 . 2]" 1 514 1 24 THR MG 1 26 GLU H 4.270 . 4.910 4.351 4.096 4.612 . 0 0 "[ . 1 . 2]" 1 515 1 24 THR MG 1 27 SER H 4.730 . 5.440 4.576 4.354 4.906 . 0 0 "[ . 1 . 2]" 1 516 1 24 THR MG 1 27 SER QB 4.690 . 5.390 4.048 3.678 4.854 . 0 0 "[ . 1 . 2]" 1 517 1 25 PRO HA 1 76 VAL MG1 4.860 . 5.590 4.517 4.285 4.788 . 0 0 "[ . 1 . 2]" 1 518 1 25 PRO HA 1 77 LEU HA 5.360 . 6.160 5.151 4.754 5.436 . 0 0 "[ . 1 . 2]" 1 519 1 25 PRO HA 1 77 LEU HB2 4.280 . 4.920 2.511 2.103 2.726 . 0 0 "[ . 1 . 2]" 1 520 1 25 PRO HA 1 77 LEU HB3 4.280 . 4.920 3.708 3.289 3.986 . 0 0 "[ . 1 . 2]" 1 521 1 25 PRO HA 1 77 LEU MD1 5.120 . 5.890 3.852 3.365 4.165 . 0 0 "[ . 1 . 2]" 1 522 1 25 PRO HA 1 78 LYS H 4.120 . 4.740 2.995 2.776 3.305 . 0 0 "[ . 1 . 2]" 1 523 1 25 PRO HA 1 78 LYS HA 4.740 . 5.450 3.822 3.334 4.177 . 0 0 "[ . 1 . 2]" 1 524 1 25 PRO QB 1 26 GLU H 3.790 . 4.360 3.066 2.639 3.440 . 0 0 "[ . 1 . 2]" 1 525 1 25 PRO QB 1 78 LYS H 3.800 . 4.370 3.693 3.392 3.996 . 0 0 "[ . 1 . 2]" 1 526 1 25 PRO QB 1 78 LYS QB 3.670 . 4.220 1.959 1.752 2.199 0.048 18 0 "[ . 1 . 2]" 1 527 1 25 PRO QB 1 78 LYS HD3 4.510 . 5.190 2.899 2.257 4.813 . 0 0 "[ . 1 . 2]" 1 528 1 25 PRO QB 1 78 LYS QG 4.160 . 4.780 3.584 2.995 3.866 . 0 0 "[ . 1 . 2]" 1 529 1 25 PRO HD2 1 26 GLU H 4.460 . 5.130 2.947 2.717 3.181 . 0 0 "[ . 1 . 2]" 1 530 1 25 PRO HD3 1 26 GLU H 4.170 . 4.800 4.060 3.927 4.218 . 0 0 "[ . 1 . 2]" 1 531 1 25 PRO HG2 1 26 GLU H 4.700 . 5.400 3.365 2.490 4.354 . 0 0 "[ . 1 . 2]" 1 532 1 26 GLU H 1 26 GLU QB 3.190 . 3.670 2.549 2.381 2.754 . 0 0 "[ . 1 . 2]" 1 533 1 26 GLU H 1 26 GLU HG2 3.700 . 4.260 2.691 1.957 3.775 . 0 0 "[ . 1 . 2]" 1 534 1 26 GLU H 1 26 GLU QG 3.170 . 3.650 2.174 1.937 2.549 . 0 0 "[ . 1 . 2]" 1 535 1 26 GLU H 1 26 GLU HG3 3.700 . 4.260 2.898 2.125 3.758 . 0 0 "[ . 1 . 2]" 1 536 1 26 GLU H 1 27 SER H 3.360 . 3.860 2.488 2.400 2.587 . 0 0 "[ . 1 . 2]" 1 537 1 26 GLU H 1 76 VAL MG1 5.450 . 6.270 4.637 4.351 4.897 . 0 0 "[ . 1 . 2]" 1 538 1 26 GLU H 1 77 LEU MD1 5.500 . 6.330 5.163 4.882 5.411 . 0 0 "[ . 1 . 2]" 1 539 1 26 GLU HA 1 26 GLU HG2 3.930 . 4.520 3.305 2.555 3.874 . 0 0 "[ . 1 . 2]" 1 540 1 26 GLU HA 1 26 GLU HG3 3.930 . 4.520 3.522 2.983 3.891 . 0 0 "[ . 1 . 2]" 1 541 1 26 GLU HA 1 76 VAL MG1 4.170 . 4.800 2.846 2.384 3.288 . 0 0 "[ . 1 . 2]" 1 542 1 26 GLU HA 1 76 VAL MG2 4.870 . 5.600 4.780 4.195 5.369 . 0 0 "[ . 1 . 2]" 1 543 1 26 GLU HA 1 78 LYS HD3 4.690 . 5.390 3.251 2.413 5.464 0.074 15 0 "[ . 1 . 2]" 1 544 1 26 GLU HA 1 78 LYS HE2 4.740 . 5.450 3.519 2.081 4.599 . 0 0 "[ . 1 . 2]" 1 545 1 26 GLU HA 1 78 LYS QE 4.090 . 4.700 2.944 2.072 3.809 . 0 0 "[ . 1 . 2]" 1 546 1 26 GLU HA 1 78 LYS HE3 4.740 . 5.450 3.696 2.258 5.512 0.062 15 0 "[ . 1 . 2]" 1 547 1 26 GLU QB 1 27 SER H 3.900 . 4.490 3.508 2.949 3.916 . 0 0 "[ . 1 . 2]" 1 548 1 26 GLU HB2 1 27 SER H 4.450 . 5.120 3.792 3.027 4.316 . 0 0 "[ . 1 . 2]" 1 549 1 26 GLU HB3 1 27 SER H 4.450 . 5.120 4.240 4.038 4.488 . 0 0 "[ . 1 . 2]" 1 550 1 26 GLU QG 1 27 SER H 4.110 . 4.730 3.462 2.528 4.414 . 0 0 "[ . 1 . 2]" 1 551 1 27 SER H 1 27 SER HB2 3.850 . 4.430 2.965 2.484 3.671 . 0 0 "[ . 1 . 2]" 1 552 1 27 SER H 1 27 SER QB 3.250 . 3.740 2.440 2.226 2.692 . 0 0 "[ . 1 . 2]" 1 553 1 27 SER H 1 27 SER HB3 3.850 . 4.430 2.788 2.365 3.626 . 0 0 "[ . 1 . 2]" 1 554 1 27 SER H 1 33 LEU MD2 5.010 . 5.760 5.381 4.970 5.687 . 0 0 "[ . 1 . 2]" 1 555 1 27 SER H 1 77 LEU MD1 4.430 . 5.090 3.848 3.625 4.184 . 0 0 "[ . 1 . 2]" 1 556 1 27 SER HA 1 28 HIS H 3.540 . 4.070 2.185 2.107 2.253 . 0 0 "[ . 1 . 2]" 1 557 1 27 SER HA 1 28 HIS HB3 4.810 . 5.530 4.646 4.535 4.750 . 0 0 "[ . 1 . 2]" 1 558 1 27 SER HA 1 32 ASP HB2 5.070 . 5.830 3.339 2.761 4.828 . 0 0 "[ . 1 . 2]" 1 559 1 27 SER HA 1 33 LEU MD1 5.480 . 6.300 5.332 4.858 6.057 . 0 0 "[ . 1 . 2]" 1 560 1 27 SER HA 1 33 LEU MD2 4.900 . 5.640 4.783 4.018 5.311 . 0 0 "[ . 1 . 2]" 1 561 1 27 SER QB 1 32 ASP HB3 5.340 . 6.140 3.232 2.209 4.245 . 0 0 "[ . 1 . 2]" 1 562 1 27 SER QB 1 33 LEU MD1 4.130 . 4.750 3.322 2.625 4.154 . 0 0 "[ . 1 . 2]" 1 563 1 27 SER QB 1 77 LEU MD1 4.540 . 5.220 2.758 2.087 3.747 . 0 0 "[ . 1 . 2]" 1 564 1 27 SER HB2 1 28 HIS H 4.690 . 5.390 3.849 2.906 4.502 . 0 0 "[ . 1 . 2]" 1 565 1 27 SER HB2 1 33 LEU MD2 3.910 . 4.500 3.262 2.415 3.889 . 0 0 "[ . 1 . 2]" 1 566 1 27 SER HB3 1 28 HIS H 4.690 . 5.390 4.024 3.353 4.314 . 0 0 "[ . 1 . 2]" 1 567 1 27 SER HB3 1 33 LEU MD2 3.910 . 4.500 3.286 2.134 3.993 . 0 0 "[ . 1 . 2]" 1 568 1 28 HIS H 1 28 HIS HB2 3.750 . 4.310 2.686 2.440 2.981 . 0 0 "[ . 1 . 2]" 1 569 1 28 HIS H 1 28 HIS HB3 4.050 . 4.660 2.539 2.460 2.615 . 0 0 "[ . 1 . 2]" 1 570 1 28 HIS H 1 31 ASP H 4.920 . 5.660 5.113 4.817 5.434 . 0 0 "[ . 1 . 2]" 1 571 1 28 HIS H 1 32 ASP H 5.320 . 6.120 3.385 3.125 3.761 . 0 0 "[ . 1 . 2]" 1 572 1 28 HIS H 1 32 ASP HB2 5.250 . 6.040 2.578 2.176 4.136 . 0 0 "[ . 1 . 2]" 1 573 1 28 HIS H 1 33 LEU MD2 5.500 . 6.330 5.094 4.714 5.563 . 0 0 "[ . 1 . 2]" 1 574 1 28 HIS H 1 76 VAL MG2 4.950 . 5.690 3.984 3.541 4.342 . 0 0 "[ . 1 . 2]" 1 575 1 28 HIS HA 1 29 ALA H 3.430 . 3.940 2.216 2.161 2.256 . 0 0 "[ . 1 . 2]" 1 576 1 28 HIS HA 1 29 ALA MB 4.180 . 4.810 4.082 3.985 4.129 . 0 0 "[ . 1 . 2]" 1 577 1 28 HIS HA 1 76 VAL MG1 4.500 . 5.180 3.398 2.924 3.607 . 0 0 "[ . 1 . 2]" 1 578 1 28 HIS HB2 1 28 HIS HD2 3.250 . 3.740 2.666 2.644 2.686 . 0 0 "[ . 1 . 2]" 1 579 1 28 HIS HB2 1 31 ASP H 4.490 . 5.160 4.384 4.194 4.661 . 0 0 "[ . 1 . 2]" 1 580 1 28 HIS HB2 1 31 ASP QB 4.530 . 5.210 3.141 3.036 3.305 . 0 0 "[ . 1 . 2]" 1 581 1 28 HIS HB2 1 76 VAL MG2 3.940 . 4.530 2.218 1.873 2.578 . 0 0 "[ . 1 . 2]" 1 582 1 28 HIS HB3 1 31 ASP H 4.520 . 5.200 2.962 2.734 3.269 . 0 0 "[ . 1 . 2]" 1 583 1 28 HIS HB3 1 31 ASP HA 4.500 . 5.180 4.589 4.468 4.744 . 0 0 "[ . 1 . 2]" 1 584 1 28 HIS HB3 1 31 ASP HB2 4.700 . 5.400 3.286 1.916 3.709 . 0 0 "[ . 1 . 2]" 1 585 1 28 HIS HB3 1 31 ASP QB 4.040 . 4.650 1.848 1.753 1.992 0.047 8 0 "[ . 1 . 2]" 1 586 1 28 HIS HB3 1 31 ASP HB3 4.700 . 5.400 1.942 1.772 3.596 0.028 8 0 "[ . 1 . 2]" 1 587 1 28 HIS HB3 1 76 VAL MG2 5.190 . 5.970 3.730 3.486 3.992 . 0 0 "[ . 1 . 2]" 1 588 1 28 HIS HD2 1 29 ALA H 5.030 . 5.780 5.007 4.597 5.262 . 0 0 "[ . 1 . 2]" 1 589 1 28 HIS HD2 1 31 ASP H 5.390 . 6.200 4.975 4.747 5.315 . 0 0 "[ . 1 . 2]" 1 590 1 28 HIS HD2 1 72 GLU HA 3.730 . 4.290 2.137 1.837 2.655 . 0 0 "[ . 1 . 2]" 1 591 1 28 HIS HD2 1 72 GLU HB2 3.980 . 4.580 3.473 3.146 3.750 . 0 0 "[ . 1 . 2]" 1 592 1 28 HIS HD2 1 72 GLU HB3 5.160 . 5.930 4.744 4.434 5.033 . 0 0 "[ . 1 . 2]" 1 593 1 28 HIS HD2 1 72 GLU HG2 4.750 . 5.460 4.476 3.100 4.989 . 0 0 "[ . 1 . 2]" 1 594 1 28 HIS HD2 1 72 GLU HG3 3.540 . 4.070 3.422 2.656 4.172 0.102 8 0 "[ . 1 . 2]" 1 595 1 28 HIS HD2 1 76 VAL H 4.330 . 4.980 3.666 3.040 4.141 . 0 0 "[ . 1 . 2]" 1 596 1 28 HIS HD2 1 76 VAL HA 3.590 . 4.130 4.155 3.763 4.307 0.177 16 0 "[ . 1 . 2]" 1 597 1 28 HIS HD2 1 76 VAL MG2 2.910 . 3.350 1.945 1.787 2.093 0.013 7 0 "[ . 1 . 2]" 1 598 1 28 HIS HE1 1 29 ALA MB 4.660 . 5.360 4.114 3.935 4.432 . 0 0 "[ . 1 . 2]" 1 599 1 28 HIS HE1 1 30 ILE H 3.590 . 4.130 2.659 2.515 2.841 . 0 0 "[ . 1 . 2]" 1 600 1 28 HIS HE1 1 30 ILE HA 5.300 . 6.100 4.542 4.395 4.658 . 0 0 "[ . 1 . 2]" 1 601 1 28 HIS HE1 1 30 ILE HB 2.990 . 3.440 1.929 1.760 2.100 0.040 20 0 "[ . 1 . 2]" 1 602 1 28 HIS HE1 1 30 ILE MD 3.400 . 3.910 2.604 2.353 2.991 . 0 0 "[ . 1 . 2]" 1 603 1 28 HIS HE1 1 30 ILE HG12 4.040 . 4.650 4.108 3.896 4.243 . 0 0 "[ . 1 . 2]" 1 604 1 28 HIS HE1 1 30 ILE QG 3.440 . 3.960 2.695 2.397 2.901 . 0 0 "[ . 1 . 2]" 1 605 1 28 HIS HE1 1 30 ILE HG13 4.040 . 4.650 2.734 2.419 2.954 . 0 0 "[ . 1 . 2]" 1 606 1 28 HIS HE1 1 30 ILE MG 3.890 . 4.470 3.591 3.430 3.729 . 0 0 "[ . 1 . 2]" 1 607 1 28 HIS HE1 1 71 THR HB 4.390 . 5.050 2.754 2.169 4.152 . 0 0 "[ . 1 . 2]" 1 608 1 28 HIS HE1 1 75 PHE HB2 4.360 . 5.010 2.850 2.482 3.274 . 0 0 "[ . 1 . 2]" 1 609 1 28 HIS HE1 1 75 PHE HB3 4.360 . 5.010 3.281 3.034 3.537 . 0 0 "[ . 1 . 2]" 1 610 1 28 HIS HE1 1 75 PHE HD2 4.030 . 4.630 4.627 4.425 4.731 0.101 4 0 "[ . 1 . 2]" 1 611 1 29 ALA H 1 29 ALA MB 3.430 . 3.940 2.242 2.199 2.266 . 0 0 "[ . 1 . 2]" 1 612 1 29 ALA H 1 30 ILE H 4.320 . 4.970 3.102 3.021 3.198 . 0 0 "[ . 1 . 2]" 1 613 1 29 ALA H 1 33 LEU MD1 4.080 . 4.690 3.889 3.665 4.128 . 0 0 "[ . 1 . 2]" 1 614 1 29 ALA H 1 76 VAL MG2 4.490 . 5.160 4.269 4.103 4.435 . 0 0 "[ . 1 . 2]" 1 615 1 29 ALA H 1 77 LEU H 4.990 . 5.740 4.210 3.725 4.495 . 0 0 "[ . 1 . 2]" 1 616 1 29 ALA H 1 77 LEU MD2 4.410 . 5.070 3.064 2.670 3.809 . 0 0 "[ . 1 . 2]" 1 617 1 29 ALA HA 1 33 LEU H 4.050 . 4.660 3.495 3.253 3.894 . 0 0 "[ . 1 . 2]" 1 618 1 29 ALA HA 1 33 LEU HA 4.740 . 5.450 5.138 4.836 5.321 . 0 0 "[ . 1 . 2]" 1 619 1 29 ALA HA 1 33 LEU HB3 4.570 . 5.260 3.798 3.544 4.003 . 0 0 "[ . 1 . 2]" 1 620 1 29 ALA HA 1 33 LEU MD1 3.550 . 4.080 2.029 1.868 2.216 . 0 0 "[ . 1 . 2]" 1 621 1 29 ALA HA 1 33 LEU MD2 4.280 . 4.920 4.377 4.157 4.600 . 0 0 "[ . 1 . 2]" 1 622 1 29 ALA HA 1 77 LEU MD2 4.630 . 5.320 3.091 2.731 3.822 . 0 0 "[ . 1 . 2]" 1 623 1 29 ALA MB 1 30 ILE H 4.050 . 4.660 2.337 2.191 2.497 . 0 0 "[ . 1 . 2]" 1 624 1 29 ALA MB 1 30 ILE MD 4.310 . 4.960 4.116 3.891 4.362 . 0 0 "[ . 1 . 2]" 1 625 1 29 ALA MB 1 30 ILE QG 3.480 . 4.000 2.793 2.574 3.041 . 0 0 "[ . 1 . 2]" 1 626 1 29 ALA MB 1 33 LEU HB3 4.750 . 5.460 4.813 4.399 5.039 . 0 0 "[ . 1 . 2]" 1 627 1 29 ALA MB 1 33 LEU MD1 3.810 . 4.380 3.076 2.728 3.364 . 0 0 "[ . 1 . 2]" 1 628 1 29 ALA MB 1 35 ILE MD 2.880 . 3.310 2.325 1.925 3.078 . 0 0 "[ . 1 . 2]" 1 629 1 29 ALA MB 1 35 ILE HG12 4.520 . 5.200 4.417 4.160 4.905 . 0 0 "[ . 1 . 2]" 1 630 1 29 ALA MB 1 40 PHE QE 3.800 . 4.370 2.323 1.951 3.510 . 0 0 "[ . 1 . 2]" 1 631 1 29 ALA MB 1 75 PHE QB 3.700 . 4.260 1.901 1.770 2.228 0.030 16 0 "[ . 1 . 2]" 1 632 1 29 ALA MB 1 75 PHE HD2 3.430 . 3.940 2.115 1.766 2.868 0.034 8 0 "[ . 1 . 2]" 1 633 1 29 ALA MB 1 77 LEU H 5.500 . 6.330 5.070 4.692 5.340 . 0 0 "[ . 1 . 2]" 1 634 1 29 ALA MB 1 77 LEU MD2 3.780 . 4.350 2.667 2.364 3.247 . 0 0 "[ . 1 . 2]" 1 635 1 30 ILE H 1 30 ILE HB 3.840 . 4.420 2.573 2.498 2.687 . 0 0 "[ . 1 . 2]" 1 636 1 30 ILE H 1 30 ILE MD 4.100 . 4.720 3.726 3.642 3.835 . 0 0 "[ . 1 . 2]" 1 637 1 30 ILE H 1 30 ILE HG12 4.340 . 4.990 3.430 3.320 3.560 . 0 0 "[ . 1 . 2]" 1 638 1 30 ILE H 1 30 ILE HG13 4.340 . 4.990 2.247 2.102 2.327 . 0 0 "[ . 1 . 2]" 1 639 1 30 ILE H 1 30 ILE MG 3.890 . 4.470 3.840 3.819 3.861 . 0 0 "[ . 1 . 2]" 1 640 1 30 ILE H 1 31 ASP H 3.360 . 3.860 2.603 2.464 2.714 . 0 0 "[ . 1 . 2]" 1 641 1 30 ILE H 1 35 ILE MD 5.500 . 6.330 5.079 4.695 5.757 . 0 0 "[ . 1 . 2]" 1 642 1 30 ILE HA 1 30 ILE MD 3.870 . 4.450 3.878 3.818 3.945 . 0 0 "[ . 1 . 2]" 1 643 1 30 ILE HA 1 30 ILE HG12 4.120 . 4.740 2.581 2.503 2.702 . 0 0 "[ . 1 . 2]" 1 644 1 30 ILE HA 1 30 ILE QG 3.570 . 4.110 2.466 2.402 2.565 . 0 0 "[ . 1 . 2]" 1 645 1 30 ILE HA 1 30 ILE HG13 4.120 . 4.740 3.135 3.038 3.197 . 0 0 "[ . 1 . 2]" 1 646 1 30 ILE HA 1 30 ILE MG 3.180 . 3.660 2.466 2.393 2.515 . 0 0 "[ . 1 . 2]" 1 647 1 30 ILE HA 1 33 LEU HB2 4.670 . 5.370 4.885 4.725 5.036 . 0 0 "[ . 1 . 2]" 1 648 1 30 ILE HA 1 34 GLY H 4.240 . 4.880 3.675 3.344 4.134 . 0 0 "[ . 1 . 2]" 1 649 1 30 ILE HA 1 35 ILE H 4.140 . 4.760 2.973 2.315 3.512 . 0 0 "[ . 1 . 2]" 1 650 1 30 ILE HA 1 35 ILE HB 4.590 . 5.280 3.492 3.119 4.140 . 0 0 "[ . 1 . 2]" 1 651 1 30 ILE HB 1 75 PHE HD2 4.880 . 5.610 5.075 4.656 5.407 . 0 0 "[ . 1 . 2]" 1 652 1 30 ILE MD 1 30 ILE MG 2.970 . 3.420 2.009 1.980 2.050 . 0 0 "[ . 1 . 2]" 1 653 1 30 ILE MD 1 71 THR MG 3.960 . 4.550 2.242 1.908 2.589 . 0 0 "[ . 1 . 2]" 1 654 1 30 ILE MD 1 75 PHE HD2 4.010 . 4.610 3.469 3.066 3.815 . 0 0 "[ . 1 . 2]" 1 655 1 30 ILE MD 1 75 PHE HE2 4.690 . 5.390 3.172 2.803 3.492 . 0 0 "[ . 1 . 2]" 1 656 1 30 ILE MD 1 75 PHE HZ 4.200 . 4.830 3.425 3.230 3.732 . 0 0 "[ . 1 . 2]" 1 657 1 30 ILE QG 1 75 PHE HD2 3.440 . 3.960 2.659 2.413 2.872 . 0 0 "[ . 1 . 2]" 1 658 1 30 ILE QG 1 75 PHE HE2 4.230 . 4.860 3.531 3.158 3.793 . 0 0 "[ . 1 . 2]" 1 659 1 30 ILE MG 1 34 GLY HA2 4.360 . 5.010 4.237 3.925 4.607 . 0 0 "[ . 1 . 2]" 1 660 1 30 ILE MG 1 35 ILE H 4.660 . 5.360 4.770 4.187 5.340 . 0 0 "[ . 1 . 2]" 1 661 1 30 ILE MG 1 75 PHE HE2 4.970 . 5.720 5.735 5.565 5.833 0.113 3 0 "[ . 1 . 2]" 1 662 1 31 ASP HB2 1 32 ASP H 4.340 . 4.990 3.778 2.547 4.133 . 0 0 "[ . 1 . 2]" 1 663 1 31 ASP HB3 1 32 ASP H 4.340 . 4.990 2.493 2.064 3.435 . 0 0 "[ . 1 . 2]" 1 664 1 32 ASP H 1 32 ASP HB2 4.140 . 4.760 2.685 2.460 2.917 . 0 0 "[ . 1 . 2]" 1 665 1 32 ASP H 1 32 ASP HB3 3.770 . 4.340 2.658 2.429 3.668 . 0 0 "[ . 1 . 2]" 1 666 1 32 ASP H 1 33 LEU H 3.560 . 4.090 2.537 2.122 2.715 . 0 0 "[ . 1 . 2]" 1 667 1 32 ASP H 1 33 LEU HB2 4.600 . 5.290 4.742 4.251 4.984 . 0 0 "[ . 1 . 2]" 1 668 1 32 ASP H 1 33 LEU MD1 5.060 . 5.820 5.417 4.911 5.627 . 0 0 "[ . 1 . 2]" 1 669 1 32 ASP H 1 33 LEU MD2 4.570 . 5.260 5.208 4.869 5.321 0.061 10 0 "[ . 1 . 2]" 1 670 1 32 ASP H 1 34 GLY H 4.820 . 5.540 3.654 3.277 3.965 . 0 0 "[ . 1 . 2]" 1 671 1 32 ASP HB2 1 33 LEU H 4.170 . 4.800 3.604 2.333 3.889 . 0 0 "[ . 1 . 2]" 1 672 1 32 ASP HB2 1 33 LEU MD2 4.290 . 4.930 4.775 3.677 5.041 0.111 14 0 "[ . 1 . 2]" 1 673 1 32 ASP HB3 1 33 LEU H 3.970 . 4.570 2.452 2.204 3.521 . 0 0 "[ . 1 . 2]" 1 674 1 32 ASP HB3 1 33 LEU MD2 4.280 . 4.920 3.592 3.352 3.744 . 0 0 "[ . 1 . 2]" 1 675 1 33 LEU H 1 33 LEU HB2 3.690 . 4.240 2.508 2.452 2.556 . 0 0 "[ . 1 . 2]" 1 676 1 33 LEU H 1 33 LEU HB3 3.930 . 4.520 3.624 3.591 3.649 . 0 0 "[ . 1 . 2]" 1 677 1 33 LEU H 1 33 LEU MD1 4.130 . 4.750 3.735 3.641 3.824 . 0 0 "[ . 1 . 2]" 1 678 1 33 LEU H 1 33 LEU MD2 3.780 . 4.350 3.308 3.146 3.430 . 0 0 "[ . 1 . 2]" 1 679 1 33 LEU H 1 33 LEU HG 3.620 . 4.160 2.383 2.239 2.490 . 0 0 "[ . 1 . 2]" 1 680 1 33 LEU H 1 34 GLY H 3.420 . 3.930 2.555 2.432 2.693 . 0 0 "[ . 1 . 2]" 1 681 1 33 LEU H 1 35 ILE H 5.500 . 6.330 4.152 3.943 4.427 . 0 0 "[ . 1 . 2]" 1 682 1 33 LEU HA 1 33 LEU MD1 4.090 . 4.700 3.922 3.884 3.957 . 0 0 "[ . 1 . 2]" 1 683 1 33 LEU HA 1 33 LEU MD2 3.020 . 3.470 2.122 2.075 2.181 . 0 0 "[ . 1 . 2]" 1 684 1 33 LEU HB2 1 33 LEU MD1 3.460 . 3.980 2.385 2.357 2.404 . 0 0 "[ . 1 . 2]" 1 685 1 33 LEU HB2 1 33 LEU MD2 3.420 . 3.930 3.257 3.248 3.264 . 0 0 "[ . 1 . 2]" 1 686 1 33 LEU HB2 1 34 GLY H 4.660 . 5.360 3.085 2.635 3.326 . 0 0 "[ . 1 . 2]" 1 687 1 33 LEU HB2 1 35 ILE HG12 4.390 . 5.050 4.119 3.792 4.485 . 0 0 "[ . 1 . 2]" 1 688 1 33 LEU HB2 1 35 ILE HG13 2.760 . 3.170 2.450 2.200 2.879 . 0 0 "[ . 1 . 2]" 1 689 1 33 LEU HB3 1 35 ILE MD 4.160 . 4.780 2.795 2.356 3.133 . 0 0 "[ . 1 . 2]" 1 690 1 33 LEU HB3 1 35 ILE HG12 4.690 . 5.390 3.801 3.482 4.031 . 0 0 "[ . 1 . 2]" 1 691 1 33 LEU HB3 1 35 ILE HG13 4.060 . 4.670 2.508 2.272 2.670 . 0 0 "[ . 1 . 2]" 1 692 1 33 LEU MD1 1 34 GLY H 5.080 . 5.840 4.948 4.602 5.129 . 0 0 "[ . 1 . 2]" 1 693 1 33 LEU MD1 1 35 ILE MD 2.770 . 3.190 2.155 2.043 2.286 . 0 0 "[ . 1 . 2]" 1 694 1 33 LEU MD1 1 77 LEU H 4.820 . 5.540 4.918 4.637 5.177 . 0 0 "[ . 1 . 2]" 1 695 1 33 LEU MD2 1 34 GLY H 4.500 . 5.180 4.752 4.678 4.812 . 0 0 "[ . 1 . 2]" 1 696 1 33 LEU HG 1 34 GLY H 4.370 . 5.030 4.549 4.329 4.702 . 0 0 "[ . 1 . 2]" 1 697 1 34 GLY H 1 35 ILE H 3.970 . 4.570 2.509 2.262 2.648 . 0 0 "[ . 1 . 2]" 1 698 1 34 GLY H 1 35 ILE MD 5.500 . 6.330 4.998 4.714 5.211 . 0 0 "[ . 1 . 2]" 1 699 1 35 ILE H 1 35 ILE HB 3.690 . 4.240 2.520 2.329 2.659 . 0 0 "[ . 1 . 2]" 1 700 1 35 ILE H 1 35 ILE MD 4.140 . 4.760 3.609 3.480 3.847 . 0 0 "[ . 1 . 2]" 1 701 1 35 ILE H 1 35 ILE HG12 4.210 . 4.840 3.496 3.279 3.838 . 0 0 "[ . 1 . 2]" 1 702 1 35 ILE H 1 35 ILE HG13 4.030 . 4.630 2.221 1.957 2.651 . 0 0 "[ . 1 . 2]" 1 703 1 35 ILE H 1 35 ILE MG 4.220 . 4.850 3.807 3.742 3.852 . 0 0 "[ . 1 . 2]" 1 704 1 35 ILE HA 1 35 ILE MD 4.080 . 4.690 3.917 3.852 3.970 . 0 0 "[ . 1 . 2]" 1 705 1 35 ILE HA 1 35 ILE MG 3.550 . 4.080 2.485 2.376 2.622 . 0 0 "[ . 1 . 2]" 1 706 1 35 ILE HA 1 36 ASP H 3.570 . 4.110 2.199 2.149 2.262 . 0 0 "[ . 1 . 2]" 1 707 1 35 ILE HB 1 35 ILE MD 3.130 . 3.600 2.447 2.398 2.484 . 0 0 "[ . 1 . 2]" 1 708 1 35 ILE HB 1 36 ASP H 4.740 . 5.450 4.311 4.117 4.511 . 0 0 "[ . 1 . 2]" 1 709 1 35 ILE MD 1 40 PHE QE 4.370 . 5.030 3.725 3.163 4.383 . 0 0 "[ . 1 . 2]" 1 710 1 35 ILE MG 1 36 ASP H 3.880 . 4.460 3.003 2.629 3.502 . 0 0 "[ . 1 . 2]" 1 711 1 35 ILE MG 1 37 SER H 5.220 . 6.000 4.882 4.591 5.263 . 0 0 "[ . 1 . 2]" 1 712 1 35 ILE MG 1 40 PHE H 4.480 . 5.150 2.890 2.724 3.033 . 0 0 "[ . 1 . 2]" 1 713 1 35 ILE MG 1 40 PHE HB2 3.710 . 4.270 2.275 2.149 2.407 . 0 0 "[ . 1 . 2]" 1 714 1 35 ILE MG 1 40 PHE QD 3.220 . 3.700 2.079 1.791 2.272 0.009 13 0 "[ . 1 . 2]" 1 715 1 36 ASP H 1 37 SER H 4.660 . 5.360 4.639 4.545 4.687 . 0 0 "[ . 1 . 2]" 1 716 1 36 ASP QB 1 37 SER H 3.480 . 4.000 3.104 2.394 3.545 . 0 0 "[ . 1 . 2]" 1 717 1 36 ASP QB 1 37 SER QB 5.180 . 5.960 4.583 3.965 5.188 . 0 0 "[ . 1 . 2]" 1 718 1 36 ASP QB 1 38 LEU H 4.670 . 5.370 2.689 2.089 3.135 . 0 0 "[ . 1 . 2]" 1 719 1 36 ASP QB 1 38 LEU HB2 3.390 . 3.900 3.116 2.588 3.781 . 0 0 "[ . 1 . 2]" 1 720 1 36 ASP QB 1 38 LEU MD1 4.390 . 5.050 3.959 3.173 4.727 . 0 0 "[ . 1 . 2]" 1 721 1 36 ASP QB 1 38 LEU MD2 4.650 . 5.350 4.856 4.144 5.201 . 0 0 "[ . 1 . 2]" 1 722 1 36 ASP QB 1 40 PHE H 4.880 . 5.610 4.294 3.776 4.835 . 0 0 "[ . 1 . 2]" 1 723 1 36 ASP HB2 1 37 SER H 4.140 . 4.760 3.920 3.596 4.286 . 0 0 "[ . 1 . 2]" 1 724 1 36 ASP HB2 1 38 LEU MD1 5.170 . 5.950 4.862 3.798 5.789 . 0 0 "[ . 1 . 2]" 1 725 1 36 ASP HB2 1 38 LEU MD2 5.500 . 6.330 5.982 5.164 6.520 0.190 2 0 "[ . 1 . 2]" 1 726 1 36 ASP HB3 1 37 SER H 4.140 . 4.760 3.303 2.431 3.854 . 0 0 "[ . 1 . 2]" 1 727 1 36 ASP HB3 1 38 LEU MD1 5.170 . 5.950 4.213 3.400 5.012 . 0 0 "[ . 1 . 2]" 1 728 1 36 ASP HB3 1 38 LEU MD2 5.500 . 6.330 5.154 4.364 5.483 . 0 0 "[ . 1 . 2]" 1 729 1 37 SER H 1 38 LEU H 3.520 . 4.050 2.785 2.335 2.999 . 0 0 "[ . 1 . 2]" 1 730 1 37 SER H 1 38 LEU HA 5.430 . 6.240 5.388 5.074 5.550 . 0 0 "[ . 1 . 2]" 1 731 1 37 SER H 1 38 LEU HB2 5.120 . 5.890 5.105 4.787 5.435 . 0 0 "[ . 1 . 2]" 1 732 1 37 SER H 1 38 LEU MD2 4.710 . 5.420 4.980 4.286 5.319 . 0 0 "[ . 1 . 2]" 1 733 1 37 SER H 1 40 PHE H 5.060 . 5.820 4.784 4.569 4.935 . 0 0 "[ . 1 . 2]" 1 734 1 37 SER HA 1 40 PHE HB2 4.800 . 5.520 2.962 2.599 3.539 . 0 0 "[ . 1 . 2]" 1 735 1 37 SER HA 1 40 PHE HB3 4.130 . 4.750 2.703 2.357 3.109 . 0 0 "[ . 1 . 2]" 1 736 1 37 SER HA 1 57 LEU QD 5.280 . 6.070 3.481 2.705 4.444 . 0 0 "[ . 1 . 2]" 1 737 1 37 SER QB 1 38 LEU H 4.420 . 5.080 3.195 2.726 3.750 . 0 0 "[ . 1 . 2]" 1 738 1 37 SER HB2 1 38 LEU H 5.140 . 5.910 3.735 2.791 4.308 . 0 0 "[ . 1 . 2]" 1 739 1 37 SER HB2 1 38 LEU HG 5.500 . 6.330 4.671 3.514 5.564 . 0 0 "[ . 1 . 2]" 1 740 1 37 SER HB3 1 38 LEU H 5.140 . 5.910 3.774 3.081 4.391 . 0 0 "[ . 1 . 2]" 1 741 1 37 SER HB3 1 38 LEU HG 5.500 . 6.330 4.691 3.724 5.593 . 0 0 "[ . 1 . 2]" 1 742 1 38 LEU H 1 38 LEU HB2 3.650 . 4.200 2.529 2.428 2.688 . 0 0 "[ . 1 . 2]" 1 743 1 38 LEU H 1 38 LEU MD1 4.130 . 4.750 3.803 3.655 3.911 . 0 0 "[ . 1 . 2]" 1 744 1 38 LEU H 1 38 LEU MD2 3.950 . 4.540 3.237 2.907 3.501 . 0 0 "[ . 1 . 2]" 1 745 1 38 LEU H 1 38 LEU HG 3.740 . 4.300 2.426 2.188 2.627 . 0 0 "[ . 1 . 2]" 1 746 1 38 LEU H 1 41 LEU H 4.910 . 5.650 4.848 4.702 5.010 . 0 0 "[ . 1 . 2]" 1 747 1 38 LEU HA 1 38 LEU MD2 2.990 . 3.440 2.122 2.046 2.287 . 0 0 "[ . 1 . 2]" 1 748 1 38 LEU HA 1 38 LEU HG 4.210 . 4.840 3.292 3.178 3.500 . 0 0 "[ . 1 . 2]" 1 749 1 38 LEU HA 1 41 LEU H 4.480 . 5.150 3.640 3.435 3.905 . 0 0 "[ . 1 . 2]" 1 750 1 38 LEU HA 1 41 LEU QB 4.520 . 5.200 3.664 3.284 4.094 . 0 0 "[ . 1 . 2]" 1 751 1 38 LEU HA 1 41 LEU MD1 3.210 . 3.690 2.300 1.979 2.582 . 0 0 "[ . 1 . 2]" 1 752 1 38 LEU HA 1 41 LEU HG 4.260 . 4.900 2.528 2.013 3.153 . 0 0 "[ . 1 . 2]" 1 753 1 38 LEU HB2 1 38 LEU MD1 3.360 . 3.860 2.415 2.360 2.471 . 0 0 "[ . 1 . 2]" 1 754 1 38 LEU HB3 1 38 LEU MD1 3.130 . 3.600 2.409 2.366 2.466 . 0 0 "[ . 1 . 2]" 1 755 1 38 LEU HB3 1 38 LEU MD2 3.200 . 3.680 2.499 2.447 2.571 . 0 0 "[ . 1 . 2]" 1 756 1 38 LEU MD2 1 40 PHE H 5.500 . 6.330 5.543 5.323 5.686 . 0 0 "[ . 1 . 2]" 1 757 1 40 PHE H 1 40 PHE QD 5.290 . 6.080 4.168 4.098 4.233 . 0 0 "[ . 1 . 2]" 1 758 1 40 PHE H 1 41 LEU H 4.380 . 5.040 2.592 2.493 2.700 . 0 0 "[ . 1 . 2]" 1 759 1 40 PHE H 1 41 LEU MD2 5.500 . 6.330 5.264 4.856 5.673 . 0 0 "[ . 1 . 2]" 1 760 1 40 PHE H 1 43 ILE MD 4.580 . 5.270 4.349 4.019 4.621 . 0 0 "[ . 1 . 2]" 1 761 1 40 PHE HA 1 40 PHE QD . . 3.970 2.995 2.822 3.155 . 0 0 "[ . 1 . 2]" 1 762 1 40 PHE HA 1 40 PHE QE 5.500 . 6.330 4.587 4.453 4.682 . 0 0 "[ . 1 . 2]" 1 763 1 40 PHE HA 1 43 ILE H 3.960 . 4.550 3.045 2.858 3.179 . 0 0 "[ . 1 . 2]" 1 764 1 40 PHE HA 1 43 ILE HB 4.160 . 4.780 2.576 2.216 2.853 . 0 0 "[ . 1 . 2]" 1 765 1 40 PHE HA 1 43 ILE MD 3.530 . 4.060 2.221 2.061 2.415 . 0 0 "[ . 1 . 2]" 1 766 1 40 PHE HA 1 43 ILE HG12 4.000 . 4.600 4.047 3.878 4.277 . 0 0 "[ . 1 . 2]" 1 767 1 40 PHE HA 1 43 ILE MG 4.470 . 5.140 3.924 3.655 4.118 . 0 0 "[ . 1 . 2]" 1 768 1 40 PHE HB2 1 43 ILE MD 4.180 . 4.810 3.596 3.288 3.807 . 0 0 "[ . 1 . 2]" 1 769 1 40 PHE HB2 1 57 LEU QD 5.300 . 6.100 3.723 3.239 4.472 . 0 0 "[ . 1 . 2]" 1 770 1 40 PHE HB3 1 41 LEU H 4.450 . 5.120 3.222 3.126 3.379 . 0 0 "[ . 1 . 2]" 1 771 1 40 PHE HB3 1 43 ILE H 5.430 . 6.240 5.361 5.273 5.499 . 0 0 "[ . 1 . 2]" 1 772 1 40 PHE HB3 1 57 LEU QD 4.220 . 4.840 2.381 1.869 3.216 . 0 0 "[ . 1 . 2]" 1 773 1 40 PHE QD 1 43 ILE H 4.760 . 5.470 4.939 4.503 5.080 . 0 0 "[ . 1 . 2]" 1 774 1 40 PHE QD 1 43 ILE MD 4.240 . 4.880 2.456 2.133 2.822 . 0 0 "[ . 1 . 2]" 1 775 1 40 PHE QD 1 43 ILE MG 4.530 . 5.210 3.797 3.507 4.112 . 0 0 "[ . 1 . 2]" 1 776 1 40 PHE QD 1 44 ALA H 4.630 . 5.320 3.929 3.090 4.308 . 0 0 "[ . 1 . 2]" 1 777 1 40 PHE QD 1 57 LEU QD 3.140 . 3.610 1.792 1.690 2.054 0.110 3 0 "[ . 1 . 2]" 1 778 1 40 PHE QD 1 80 LEU MD2 5.500 . 6.330 4.393 4.117 4.487 . 0 0 "[ . 1 . 2]" 1 779 1 40 PHE QE 1 43 ILE MD 3.650 . 4.200 3.267 3.096 3.546 . 0 0 "[ . 1 . 2]" 1 780 1 40 PHE QE 1 43 ILE MG 4.820 . 5.540 3.304 2.899 3.666 . 0 0 "[ . 1 . 2]" 1 781 1 40 PHE QE 1 47 ILE MD 4.880 . 5.610 3.839 3.107 4.429 . 0 0 "[ . 1 . 2]" 1 782 1 40 PHE QE 1 55 LEU QD 4.170 . 4.800 2.806 1.956 3.522 . 0 0 "[ . 1 . 2]" 1 783 1 40 PHE QE 1 57 LEU QD 3.280 . 3.770 2.461 2.157 2.973 . 0 0 "[ . 1 . 2]" 1 784 1 40 PHE QE 1 77 LEU MD2 5.500 . 6.330 3.684 3.199 4.054 . 0 0 "[ . 1 . 2]" 1 785 1 40 PHE QE 1 80 LEU MD2 4.330 . 4.980 2.589 2.277 2.879 . 0 0 "[ . 1 . 2]" 1 786 1 40 PHE HZ 1 43 ILE MD 4.160 . 4.780 4.532 4.045 4.837 0.057 13 0 "[ . 1 . 2]" 1 787 1 40 PHE HZ 1 43 ILE MG 5.230 . 6.010 3.677 3.218 3.999 . 0 0 "[ . 1 . 2]" 1 788 1 40 PHE HZ 1 47 ILE MD 5.230 . 6.010 3.971 2.758 4.723 . 0 0 "[ . 1 . 2]" 1 789 1 40 PHE HZ 1 80 LEU HB2 4.200 . 4.830 3.930 3.443 4.762 . 0 0 "[ . 1 . 2]" 1 790 1 40 PHE HZ 1 80 LEU MD1 4.150 . 4.770 2.051 1.795 2.217 0.005 3 0 "[ . 1 . 2]" 1 791 1 40 PHE HZ 1 80 LEU MD2 3.730 . 4.290 2.013 1.796 2.429 0.004 18 0 "[ . 1 . 2]" 1 792 1 41 LEU H 1 41 LEU HB2 4.000 . 4.600 2.481 2.346 2.603 . 0 0 "[ . 1 . 2]" 1 793 1 41 LEU H 1 41 LEU QB 3.450 . 3.970 2.440 2.317 2.549 . 0 0 "[ . 1 . 2]" 1 794 1 41 LEU H 1 41 LEU HB3 4.000 . 4.600 3.621 3.589 3.640 . 0 0 "[ . 1 . 2]" 1 795 1 41 LEU H 1 41 LEU MD1 3.990 . 4.590 3.641 3.578 3.770 . 0 0 "[ . 1 . 2]" 1 796 1 41 LEU H 1 41 LEU MD2 3.960 . 4.550 3.476 3.159 3.783 . 0 0 "[ . 1 . 2]" 1 797 1 41 LEU H 1 41 LEU HG 3.730 . 4.290 2.402 2.211 2.646 . 0 0 "[ . 1 . 2]" 1 798 1 41 LEU H 1 42 ASP H 4.200 . 4.830 2.712 2.637 2.783 . 0 0 "[ . 1 . 2]" 1 799 1 41 LEU H 1 57 LEU QD 4.790 . 5.510 3.360 3.045 3.686 . 0 0 "[ . 1 . 2]" 1 800 1 41 LEU HA 1 41 LEU MD1 3.890 . 4.470 3.945 3.920 3.969 . 0 0 "[ . 1 . 2]" 1 801 1 41 LEU HA 1 41 LEU MD2 3.130 . 3.600 2.101 1.997 2.176 . 0 0 "[ . 1 . 2]" 1 802 1 41 LEU HA 1 44 ALA H 4.280 . 4.920 3.656 3.505 3.884 . 0 0 "[ . 1 . 2]" 1 803 1 41 LEU HA 1 44 ALA MB 3.510 . 4.040 2.767 2.540 3.138 . 0 0 "[ . 1 . 2]" 1 804 1 41 LEU HA 1 57 LEU QD . . 4.650 2.324 2.000 2.667 . 0 0 "[ . 1 . 2]" 1 805 1 41 LEU QB 1 41 LEU MD1 3.020 . 3.470 2.148 2.138 2.159 . 0 0 "[ . 1 . 2]" 1 806 1 41 LEU QB 1 42 ASP H 4.090 . 4.700 2.581 2.356 2.842 . 0 0 "[ . 1 . 2]" 1 807 1 41 LEU QB 1 42 ASP HA 4.180 . 4.810 3.954 3.877 4.091 . 0 0 "[ . 1 . 2]" 1 808 1 41 LEU MD1 1 42 ASP H 4.570 . 5.260 4.569 4.383 4.789 . 0 0 "[ . 1 . 2]" 1 809 1 41 LEU MD2 1 42 ASP H 4.740 . 5.450 4.755 4.660 4.878 . 0 0 "[ . 1 . 2]" 1 810 1 41 LEU MD2 1 57 LEU QD 2.730 . 3.140 1.780 1.702 1.941 0.098 3 0 "[ . 1 . 2]" 1 811 1 42 ASP H 1 43 ILE H 3.990 . 4.590 2.568 2.433 2.692 . 0 0 "[ . 1 . 2]" 1 812 1 42 ASP H 1 43 ILE MD 5.400 . 6.210 5.248 5.055 5.402 . 0 0 "[ . 1 . 2]" 1 813 1 42 ASP HA 1 45 PHE H 5.000 . 5.750 3.501 3.188 3.753 . 0 0 "[ . 1 . 2]" 1 814 1 42 ASP HA 1 45 PHE HB2 4.340 . 4.990 3.260 2.677 3.773 . 0 0 "[ . 1 . 2]" 1 815 1 42 ASP HA 1 45 PHE HB3 3.980 . 4.580 2.703 2.383 3.055 . 0 0 "[ . 1 . 2]" 1 816 1 42 ASP QB 1 43 ILE H 3.900 . 4.490 2.670 2.479 2.856 . 0 0 "[ . 1 . 2]" 1 817 1 42 ASP HB2 1 43 ILE H 4.490 . 5.160 3.352 2.522 4.036 . 0 0 "[ . 1 . 2]" 1 818 1 42 ASP HB3 1 43 ILE H 4.490 . 5.160 3.190 2.561 3.875 . 0 0 "[ . 1 . 2]" 1 819 1 43 ILE H 1 43 ILE HB 3.460 . 3.980 2.538 2.453 2.695 . 0 0 "[ . 1 . 2]" 1 820 1 43 ILE H 1 43 ILE MD 3.910 . 4.500 3.680 3.605 3.762 . 0 0 "[ . 1 . 2]" 1 821 1 43 ILE H 1 43 ILE HG12 4.280 . 4.920 3.376 3.261 3.533 . 0 0 "[ . 1 . 2]" 1 822 1 43 ILE H 1 43 ILE HG13 3.520 . 4.050 2.191 2.089 2.304 . 0 0 "[ . 1 . 2]" 1 823 1 43 ILE H 1 43 ILE MG 4.120 . 4.740 3.823 3.806 3.868 . 0 0 "[ . 1 . 2]" 1 824 1 43 ILE H 1 44 ALA H 3.740 . 4.300 2.654 2.573 2.730 . 0 0 "[ . 1 . 2]" 1 825 1 43 ILE H 1 47 ILE MD 5.500 . 6.330 5.516 5.416 5.606 . 0 0 "[ . 1 . 2]" 1 826 1 43 ILE H 1 57 LEU QD 5.500 . 6.330 4.897 4.726 5.211 . 0 0 "[ . 1 . 2]" 1 827 1 43 ILE HA 1 43 ILE MD 4.390 . 5.050 3.867 3.829 3.895 . 0 0 "[ . 1 . 2]" 1 828 1 43 ILE HA 1 46 ALA H 4.650 . 5.350 3.623 3.407 3.761 . 0 0 "[ . 1 . 2]" 1 829 1 43 ILE HA 1 46 ALA MB 3.760 . 4.320 2.853 2.604 3.068 . 0 0 "[ . 1 . 2]" 1 830 1 43 ILE HA 1 47 ILE MD 5.150 . 5.920 4.286 4.006 4.579 . 0 0 "[ . 1 . 2]" 1 831 1 43 ILE HB 1 44 ALA H 3.760 . 4.320 2.454 2.342 2.658 . 0 0 "[ . 1 . 2]" 1 832 1 43 ILE HB 1 44 ALA MB 3.880 . 4.460 3.777 3.618 3.989 . 0 0 "[ . 1 . 2]" 1 833 1 43 ILE MG 1 44 ALA H 3.850 . 4.430 3.327 3.140 3.574 . 0 0 "[ . 1 . 2]" 1 834 1 43 ILE MG 1 44 ALA HA 4.370 . 5.030 3.363 3.185 3.614 . 0 0 "[ . 1 . 2]" 1 835 1 43 ILE MG 1 44 ALA MB 4.250 . 4.890 3.927 3.648 4.234 . 0 0 "[ . 1 . 2]" 1 836 1 43 ILE MG 1 46 ALA MB 4.000 . 4.600 3.862 3.464 4.088 . 0 0 "[ . 1 . 2]" 1 837 1 43 ILE MG 1 47 ILE H 4.550 . 5.230 4.229 4.040 4.397 . 0 0 "[ . 1 . 2]" 1 838 1 43 ILE MG 1 47 ILE MD 2.790 . 3.210 1.989 1.844 2.120 . 0 0 "[ . 1 . 2]" 1 839 1 43 ILE MG 1 47 ILE HG13 4.030 . 4.630 2.902 2.643 3.157 . 0 0 "[ . 1 . 2]" 1 840 1 44 ALA H 1 44 ALA MB 3.240 . 3.730 2.242 2.219 2.268 . 0 0 "[ . 1 . 2]" 1 841 1 44 ALA H 1 45 PHE H 4.050 . 4.660 2.591 2.514 2.669 . 0 0 "[ . 1 . 2]" 1 842 1 44 ALA H 1 46 ALA MB 5.450 . 6.270 4.900 4.748 5.075 . 0 0 "[ . 1 . 2]" 1 843 1 44 ALA H 1 47 ILE H 4.900 . 5.640 4.715 4.627 4.800 . 0 0 "[ . 1 . 2]" 1 844 1 44 ALA H 1 47 ILE MD 4.480 . 5.150 3.985 3.727 4.299 . 0 0 "[ . 1 . 2]" 1 845 1 44 ALA H 1 47 ILE HG13 5.000 . 5.750 5.054 4.852 5.280 . 0 0 "[ . 1 . 2]" 1 846 1 44 ALA H 1 55 LEU QD 5.500 . 6.330 4.177 3.975 4.389 . 0 0 "[ . 1 . 2]" 1 847 1 44 ALA H 1 57 LEU QD 4.770 . 5.490 3.666 3.347 4.036 . 0 0 "[ . 1 . 2]" 1 848 1 44 ALA HA 1 47 ILE H 4.320 . 4.970 3.468 3.290 3.756 . 0 0 "[ . 1 . 2]" 1 849 1 44 ALA HA 1 47 ILE HB 3.840 . 4.420 2.494 2.321 2.928 . 0 0 "[ . 1 . 2]" 1 850 1 44 ALA HA 1 48 ASP H 4.600 . 5.290 4.170 3.976 4.287 . 0 0 "[ . 1 . 2]" 1 851 1 44 ALA HA 1 55 LEU HB2 4.540 . 5.220 4.530 4.105 4.960 . 0 0 "[ . 1 . 2]" 1 852 1 44 ALA HA 1 55 LEU HB3 4.140 . 4.760 3.701 3.118 4.399 . 0 0 "[ . 1 . 2]" 1 853 1 44 ALA HA 1 55 LEU QD 3.620 . 4.160 2.302 1.910 2.693 . 0 0 "[ . 1 . 2]" 1 854 1 44 ALA MB 1 45 PHE H 3.580 . 4.120 2.631 2.509 2.742 . 0 0 "[ . 1 . 2]" 1 855 1 44 ALA MB 1 45 PHE HA 4.560 . 5.240 3.962 3.829 4.024 . 0 0 "[ . 1 . 2]" 1 856 1 44 ALA MB 1 45 PHE HB2 4.650 . 5.350 4.088 3.869 4.246 . 0 0 "[ . 1 . 2]" 1 857 1 44 ALA MB 1 47 ILE HB 4.820 . 5.540 3.961 3.744 4.402 . 0 0 "[ . 1 . 2]" 1 858 1 44 ALA MB 1 55 LEU HB3 3.840 . 4.420 2.908 2.509 3.345 . 0 0 "[ . 1 . 2]" 1 859 1 44 ALA MB 1 55 LEU QD 3.260 . 3.750 1.877 1.738 2.155 0.062 1 0 "[ . 1 . 2]" 1 860 1 44 ALA MB 1 57 LEU H 3.820 . 4.390 3.760 3.359 4.138 . 0 0 "[ . 1 . 2]" 1 861 1 44 ALA MB 1 57 LEU HA 4.460 . 5.130 4.441 4.137 4.764 . 0 0 "[ . 1 . 2]" 1 862 1 44 ALA MB 1 57 LEU HB2 3.090 . 3.550 2.499 2.187 2.883 . 0 0 "[ . 1 . 2]" 1 863 1 44 ALA MB 1 57 LEU QD 3.420 . 3.550 2.216 1.847 2.574 . 0 0 "[ . 1 . 2]" 1 864 1 45 PHE H 1 45 PHE HB2 3.520 . 4.050 2.479 2.313 2.607 . 0 0 "[ . 1 . 2]" 1 865 1 45 PHE H 1 45 PHE QD 4.180 . 4.810 4.212 4.088 4.250 . 0 0 "[ . 1 . 2]" 1 866 1 45 PHE H 1 46 ALA H 3.840 . 4.420 2.660 2.562 2.727 . 0 0 "[ . 1 . 2]" 1 867 1 45 PHE H 1 46 ALA MB 4.300 . 4.950 4.337 4.256 4.411 . 0 0 "[ . 1 . 2]" 1 868 1 45 PHE H 1 47 ILE MD 5.500 . 6.330 5.097 4.839 5.358 . 0 0 "[ . 1 . 2]" 1 869 1 45 PHE H 1 48 ASP HB2 5.120 . 5.890 5.332 4.861 5.847 . 0 0 "[ . 1 . 2]" 1 870 1 45 PHE H 1 57 LEU QD 5.500 . 6.330 4.837 4.238 5.218 . 0 0 "[ . 1 . 2]" 1 871 1 45 PHE HA 1 45 PHE QD 3.580 . 4.120 2.635 2.219 3.061 . 0 0 "[ . 1 . 2]" 1 872 1 45 PHE HA 1 46 ALA MB 5.500 . 6.330 5.064 5.044 5.085 . 0 0 "[ . 1 . 2]" 1 873 1 45 PHE HA 1 48 ASP H 4.350 . 5.000 3.492 3.138 3.705 . 0 0 "[ . 1 . 2]" 1 874 1 45 PHE HA 1 48 ASP HB2 3.800 . 4.370 2.927 2.211 3.428 . 0 0 "[ . 1 . 2]" 1 875 1 45 PHE HA 1 48 ASP HB3 4.270 . 4.910 4.034 2.380 4.798 . 0 0 "[ . 1 . 2]" 1 876 1 45 PHE HA 1 49 LYS H 4.590 . 5.280 4.557 4.261 4.956 . 0 0 "[ . 1 . 2]" 1 877 1 45 PHE HA 1 49 LYS QD 5.340 . 6.140 4.971 4.584 5.752 . 0 0 "[ . 1 . 2]" 1 878 1 45 PHE HB2 1 48 ASP HB2 5.500 . 6.330 5.345 4.601 5.876 . 0 0 "[ . 1 . 2]" 1 879 1 45 PHE HB3 1 46 ALA H 3.640 . 4.190 2.609 2.450 2.811 . 0 0 "[ . 1 . 2]" 1 880 1 45 PHE HB3 1 46 ALA HA 4.750 . 5.460 4.315 4.198 4.444 . 0 0 "[ . 1 . 2]" 1 881 1 45 PHE HB3 1 46 ALA MB 4.490 . 5.160 3.915 3.784 4.097 . 0 0 "[ . 1 . 2]" 1 882 1 45 PHE HB3 1 48 ASP HB2 5.500 . 6.330 5.539 4.868 6.000 . 0 0 "[ . 1 . 2]" 1 883 1 45 PHE HB3 1 49 LYS H 5.500 . 6.330 6.081 5.867 6.379 0.049 6 0 "[ . 1 . 2]" 1 884 1 45 PHE QD 1 46 ALA HA 4.530 . 5.210 3.970 3.192 4.528 . 0 0 "[ . 1 . 2]" 1 885 1 45 PHE QD 1 46 ALA MB 4.970 . 5.720 4.129 3.568 4.523 . 0 0 "[ . 1 . 2]" 1 886 1 45 PHE QD 1 48 ASP HB2 4.840 . 5.570 4.304 3.324 5.103 . 0 0 "[ . 1 . 2]" 1 887 1 45 PHE QD 1 49 LYS HD2 4.600 . 5.290 3.618 2.706 4.819 . 0 0 "[ . 1 . 2]" 1 888 1 45 PHE QD 1 49 LYS QD 3.860 . 4.440 3.175 2.459 4.080 . 0 0 "[ . 1 . 2]" 1 889 1 45 PHE QD 1 49 LYS HD3 4.600 . 5.290 3.638 2.824 5.296 0.006 19 0 "[ . 1 . 2]" 1 890 1 45 PHE QD 1 49 LYS QE 5.300 . 6.100 4.507 2.176 5.266 . 0 0 "[ . 1 . 2]" 1 891 1 45 PHE QD 1 49 LYS HG3 4.640 . 5.340 4.169 3.783 4.525 . 0 0 "[ . 1 . 2]" 1 892 1 45 PHE QE 1 49 LYS QD 4.550 . 5.230 2.707 2.217 4.538 . 0 0 "[ . 1 . 2]" 1 893 1 45 PHE QE 1 49 LYS QE 5.340 . 6.140 3.834 2.663 4.325 . 0 0 "[ . 1 . 2]" 1 894 1 46 ALA H 1 46 ALA MB 3.210 . 3.690 2.251 2.228 2.272 . 0 0 "[ . 1 . 2]" 1 895 1 46 ALA H 1 47 ILE H 3.660 . 4.210 2.585 2.513 2.648 . 0 0 "[ . 1 . 2]" 1 896 1 46 ALA HA 1 49 LYS H 4.020 . 4.620 3.505 3.322 3.674 . 0 0 "[ . 1 . 2]" 1 897 1 46 ALA HA 1 49 LYS HB2 3.510 . 4.040 2.932 2.705 3.107 . 0 0 "[ . 1 . 2]" 1 898 1 46 ALA HA 1 49 LYS HD2 5.500 . 6.330 4.151 2.609 4.887 . 0 0 "[ . 1 . 2]" 1 899 1 46 ALA HA 1 49 LYS HD3 5.500 . 6.330 2.995 2.189 4.591 . 0 0 "[ . 1 . 2]" 1 900 1 46 ALA HA 1 49 LYS HG3 4.390 . 5.050 3.606 3.110 3.985 . 0 0 "[ . 1 . 2]" 1 901 1 46 ALA HA 1 50 ALA MB 4.680 . 5.380 4.409 4.230 4.616 . 0 0 "[ . 1 . 2]" 1 902 1 46 ALA MB 1 47 ILE H 3.690 . 4.240 2.722 2.641 2.821 . 0 0 "[ . 1 . 2]" 1 903 1 46 ALA MB 1 48 ASP H 4.780 . 5.500 4.675 4.575 4.753 . 0 0 "[ . 1 . 2]" 1 904 1 46 ALA MB 1 49 LYS H 4.860 . 5.590 4.666 4.508 4.801 . 0 0 "[ . 1 . 2]" 1 905 1 46 ALA MB 1 50 ALA MB 3.750 . 4.310 3.772 3.617 3.930 . 0 0 "[ . 1 . 2]" 1 906 1 47 ILE H 1 47 ILE HB 3.380 . 3.890 2.364 2.288 2.456 . 0 0 "[ . 1 . 2]" 1 907 1 47 ILE H 1 47 ILE MD 3.710 . 4.270 3.580 3.495 3.653 . 0 0 "[ . 1 . 2]" 1 908 1 47 ILE H 1 47 ILE HG12 4.070 . 4.680 3.745 3.650 3.804 . 0 0 "[ . 1 . 2]" 1 909 1 47 ILE H 1 47 ILE HG13 3.520 . 4.050 2.441 2.331 2.536 . 0 0 "[ . 1 . 2]" 1 910 1 47 ILE H 1 47 ILE MG 3.990 . 4.590 3.769 3.731 3.807 . 0 0 "[ . 1 . 2]" 1 911 1 47 ILE H 1 50 ALA MB 5.030 . 5.780 4.566 4.401 4.780 . 0 0 "[ . 1 . 2]" 1 912 1 47 ILE H 1 51 PHE QD 5.500 . 6.330 5.010 4.812 5.202 . 0 0 "[ . 1 . 2]" 1 913 1 47 ILE H 1 55 LEU QD 5.120 . 5.890 4.451 4.007 4.775 . 0 0 "[ . 1 . 2]" 1 914 1 47 ILE HA 1 47 ILE HG13 4.080 . 4.690 2.826 2.771 2.906 . 0 0 "[ . 1 . 2]" 1 915 1 47 ILE HA 1 47 ILE MG 3.490 . 4.010 2.617 2.539 2.674 . 0 0 "[ . 1 . 2]" 1 916 1 47 ILE HA 1 50 ALA H 4.490 . 5.160 3.382 3.210 3.620 . 0 0 "[ . 1 . 2]" 1 917 1 47 ILE HA 1 50 ALA HA 5.290 . 6.080 5.363 5.193 5.717 . 0 0 "[ . 1 . 2]" 1 918 1 47 ILE HA 1 50 ALA MB 3.570 . 4.110 2.570 2.385 2.919 . 0 0 "[ . 1 . 2]" 1 919 1 47 ILE HA 1 51 PHE H 4.800 . 5.520 3.470 3.244 3.603 . 0 0 "[ . 1 . 2]" 1 920 1 47 ILE HA 1 51 PHE QD 3.220 . 3.700 2.295 2.075 2.556 . 0 0 "[ . 1 . 2]" 1 921 1 47 ILE HA 1 51 PHE QE 4.020 . 4.620 2.899 2.635 3.229 . 0 0 "[ . 1 . 2]" 1 922 1 47 ILE HB 1 47 ILE MD 3.290 . 3.780 2.458 2.437 2.483 . 0 0 "[ . 1 . 2]" 1 923 1 47 ILE HB 1 48 ASP H 3.890 . 4.470 2.699 2.575 2.781 . 0 0 "[ . 1 . 2]" 1 924 1 47 ILE HB 1 50 ALA MB 5.310 . 6.110 5.224 5.012 5.567 . 0 0 "[ . 1 . 2]" 1 925 1 47 ILE HB 1 51 PHE QD 4.750 . 5.460 4.441 4.349 4.584 . 0 0 "[ . 1 . 2]" 1 926 1 47 ILE HB 1 53 ILE MD 4.990 . 5.740 4.415 4.152 4.909 . 0 0 "[ . 1 . 2]" 1 927 1 47 ILE HB 1 55 LEU QD 4.110 . 4.730 2.685 2.257 3.065 . 0 0 "[ . 1 . 2]" 1 928 1 47 ILE MD 1 48 ASP H 5.150 . 5.920 4.699 4.592 4.795 . 0 0 "[ . 1 . 2]" 1 929 1 47 ILE MD 1 51 PHE QE 4.450 . 5.120 3.876 3.659 4.162 . 0 0 "[ . 1 . 2]" 1 930 1 47 ILE MD 1 80 LEU MD1 3.670 . 4.220 3.002 2.775 3.342 . 0 0 "[ . 1 . 2]" 1 931 1 47 ILE MD 1 80 LEU MD2 2.950 . 3.390 2.822 2.369 3.301 . 0 0 "[ . 1 . 2]" 1 932 1 47 ILE MD 1 84 ILE MD 3.150 . 3.620 1.827 1.769 1.882 0.031 14 0 "[ . 1 . 2]" 1 933 1 47 ILE MD 1 84 ILE MG 4.670 . 5.370 3.785 3.561 4.049 . 0 0 "[ . 1 . 2]" 1 934 1 47 ILE HG13 1 50 ALA MB 5.000 . 5.750 4.701 4.525 5.104 . 0 0 "[ . 1 . 2]" 1 935 1 47 ILE MG 1 48 ASP H 3.960 . 4.550 3.270 3.176 3.392 . 0 0 "[ . 1 . 2]" 1 936 1 47 ILE MG 1 48 ASP HA 4.300 . 4.950 3.489 3.298 3.607 . 0 0 "[ . 1 . 2]" 1 937 1 47 ILE MG 1 50 ALA H 4.940 . 5.680 4.843 4.649 5.038 . 0 0 "[ . 1 . 2]" 1 938 1 47 ILE MG 1 50 ALA MB 3.760 . 4.320 4.007 3.782 4.297 . 0 0 "[ . 1 . 2]" 1 939 1 47 ILE MG 1 51 PHE H 4.480 . 5.150 3.898 3.790 4.060 . 0 0 "[ . 1 . 2]" 1 940 1 47 ILE MG 1 51 PHE HB2 4.080 . 4.690 3.210 2.955 3.454 . 0 0 "[ . 1 . 2]" 1 941 1 47 ILE MG 1 51 PHE HB3 4.400 . 5.060 4.320 4.044 4.591 . 0 0 "[ . 1 . 2]" 1 942 1 47 ILE MG 1 51 PHE QD 2.760 . 3.170 2.286 2.075 2.423 . 0 0 "[ . 1 . 2]" 1 943 1 47 ILE MG 1 51 PHE QE 3.620 . 4.160 2.799 2.532 3.130 . 0 0 "[ . 1 . 2]" 1 944 1 47 ILE MG 1 52 GLY H 4.990 . 5.740 5.129 4.920 5.396 . 0 0 "[ . 1 . 2]" 1 945 1 47 ILE MG 1 53 ILE H 4.630 . 5.320 4.663 4.393 5.018 . 0 0 "[ . 1 . 2]" 1 946 1 47 ILE MG 1 53 ILE MD 2.860 . 3.290 2.069 1.848 2.453 . 0 0 "[ . 1 . 2]" 1 947 1 47 ILE MG 1 55 LEU HB2 4.090 . 4.700 2.692 2.356 3.195 . 0 0 "[ . 1 . 2]" 1 948 1 47 ILE MG 1 55 LEU QD 3.220 . 3.700 1.928 1.804 2.102 . 0 0 "[ . 1 . 2]" 1 949 1 47 ILE MG 1 80 LEU MD1 4.330 . 4.980 4.210 3.941 4.568 . 0 0 "[ . 1 . 2]" 1 950 1 47 ILE MG 1 84 ILE HA 4.940 . 5.680 4.364 4.210 4.560 . 0 0 "[ . 1 . 2]" 1 951 1 47 ILE MG 1 84 ILE MD 3.120 . 3.590 2.156 1.946 2.373 . 0 0 "[ . 1 . 2]" 1 952 1 47 ILE MG 1 84 ILE QG 3.750 . 4.310 2.530 2.286 2.820 . 0 0 "[ . 1 . 2]" 1 953 1 47 ILE MG 1 84 ILE MG 3.840 . 4.420 2.482 2.261 2.761 . 0 0 "[ . 1 . 2]" 1 954 1 48 ASP H 1 48 ASP HB2 3.430 . 3.940 2.503 2.344 2.655 . 0 0 "[ . 1 . 2]" 1 955 1 48 ASP H 1 49 LYS H 3.680 . 4.230 2.789 2.727 2.848 . 0 0 "[ . 1 . 2]" 1 956 1 48 ASP H 1 49 LYS HB2 4.760 . 5.470 4.988 4.867 5.139 . 0 0 "[ . 1 . 2]" 1 957 1 48 ASP H 1 50 ALA MB 5.500 . 6.330 4.990 4.791 5.216 . 0 0 "[ . 1 . 2]" 1 958 1 48 ASP H 1 51 PHE QD 5.500 . 6.330 4.860 4.747 4.963 . 0 0 "[ . 1 . 2]" 1 959 1 48 ASP H 1 55 LEU QD 5.420 . 6.230 4.333 3.545 4.837 . 0 0 "[ . 1 . 2]" 1 960 1 48 ASP HA 1 52 GLY H 4.470 . 5.140 4.174 3.788 4.624 . 0 0 "[ . 1 . 2]" 1 961 1 48 ASP HA 1 52 GLY HA2 4.760 . 5.470 4.828 4.394 5.382 . 0 0 "[ . 1 . 2]" 1 962 1 48 ASP HA 1 53 ILE H 3.920 . 4.510 2.911 2.538 3.296 . 0 0 "[ . 1 . 2]" 1 963 1 48 ASP HA 1 53 ILE HA 5.270 . 6.060 4.948 4.774 5.323 . 0 0 "[ . 1 . 2]" 1 964 1 48 ASP HA 1 53 ILE MD 4.500 . 5.180 4.029 3.568 4.376 . 0 0 "[ . 1 . 2]" 1 965 1 48 ASP HA 1 53 ILE HG12 4.030 . 4.630 3.210 2.950 3.506 . 0 0 "[ . 1 . 2]" 1 966 1 48 ASP HA 1 53 ILE HG13 4.320 . 4.970 2.772 2.442 3.177 . 0 0 "[ . 1 . 2]" 1 967 1 48 ASP HB2 1 49 LYS H 3.390 . 3.900 2.849 2.446 3.836 . 0 0 "[ . 1 . 2]" 1 968 1 48 ASP HB3 1 49 LYS HG3 5.020 . 5.770 3.788 2.883 4.200 . 0 0 "[ . 1 . 2]" 1 969 1 49 LYS H 1 49 LYS HB2 2.970 . 3.420 2.460 2.406 2.521 . 0 0 "[ . 1 . 2]" 1 970 1 49 LYS H 1 49 LYS HD2 5.500 . 6.330 4.608 4.143 4.866 . 0 0 "[ . 1 . 2]" 1 971 1 49 LYS H 1 49 LYS HD3 5.500 . 6.330 4.088 3.727 4.907 . 0 0 "[ . 1 . 2]" 1 972 1 49 LYS H 1 49 LYS HG2 4.260 . 4.900 3.563 3.339 3.717 . 0 0 "[ . 1 . 2]" 1 973 1 49 LYS H 1 49 LYS HG3 3.810 . 4.380 2.316 2.136 2.494 . 0 0 "[ . 1 . 2]" 1 974 1 49 LYS H 1 50 ALA H 3.500 . 4.030 2.524 2.381 2.640 . 0 0 "[ . 1 . 2]" 1 975 1 49 LYS HA 1 49 LYS HD2 5.420 . 6.230 4.872 4.503 4.978 . 0 0 "[ . 1 . 2]" 1 976 1 49 LYS HA 1 49 LYS QD 4.690 . 5.390 4.279 4.060 4.326 . 0 0 "[ . 1 . 2]" 1 977 1 49 LYS HA 1 49 LYS HD3 5.420 . 6.230 4.751 4.406 4.911 . 0 0 "[ . 1 . 2]" 1 978 1 49 LYS HA 1 49 LYS QE 4.830 . 5.550 4.282 3.898 4.715 . 0 0 "[ . 1 . 2]" 1 979 1 49 LYS HA 1 49 LYS HG2 3.640 . 4.190 2.649 2.555 2.738 . 0 0 "[ . 1 . 2]" 1 980 1 49 LYS HA 1 49 LYS HG3 3.950 . 4.540 3.076 2.971 3.235 . 0 0 "[ . 1 . 2]" 1 981 1 49 LYS HA 1 52 GLY H 4.070 . 4.680 3.906 3.712 4.137 . 0 0 "[ . 1 . 2]" 1 982 1 49 LYS HB2 1 49 LYS QD 3.390 . 3.900 2.533 2.393 2.939 . 0 0 "[ . 1 . 2]" 1 983 1 49 LYS HB2 1 50 ALA H 3.380 . 3.890 2.636 2.447 3.052 . 0 0 "[ . 1 . 2]" 1 984 1 49 LYS HB2 1 50 ALA HA 4.980 . 5.730 4.203 4.058 4.420 . 0 0 "[ . 1 . 2]" 1 985 1 49 LYS HB2 1 50 ALA MB 4.290 . 4.930 3.841 3.713 4.055 . 0 0 "[ . 1 . 2]" 1 986 1 49 LYS HB3 1 49 LYS QD 3.470 . 3.990 2.947 2.444 3.119 . 0 0 "[ . 1 . 2]" 1 987 1 49 LYS HB3 1 49 LYS QE 4.720 . 5.430 2.463 2.091 4.040 . 0 0 "[ . 1 . 2]" 1 988 1 49 LYS HB3 1 50 ALA HA 5.320 . 6.120 4.363 4.149 4.596 . 0 0 "[ . 1 . 2]" 1 989 1 49 LYS HE2 1 49 LYS HG2 4.050 . 4.660 3.197 2.441 3.806 . 0 0 "[ . 1 . 2]" 1 990 1 49 LYS HE3 1 49 LYS HG2 4.050 . 4.660 3.023 2.535 3.793 . 0 0 "[ . 1 . 2]" 1 991 1 50 ALA H 1 50 ALA MB 3.070 . 3.530 2.265 2.235 2.310 . 0 0 "[ . 1 . 2]" 1 992 1 50 ALA H 1 51 PHE H 3.720 . 4.280 2.690 2.460 2.863 . 0 0 "[ . 1 . 2]" 1 993 1 50 ALA H 1 51 PHE QD 3.930 . 4.520 3.901 3.652 4.146 . 0 0 "[ . 1 . 2]" 1 994 1 50 ALA HA 1 51 PHE QD 4.790 . 5.510 5.032 4.835 5.225 . 0 0 "[ . 1 . 2]" 1 995 1 50 ALA MB 1 51 PHE H 3.680 . 4.230 2.325 2.154 2.487 . 0 0 "[ . 1 . 2]" 1 996 1 50 ALA MB 1 51 PHE HA 4.280 . 4.920 3.867 3.786 3.961 . 0 0 "[ . 1 . 2]" 1 997 1 50 ALA MB 1 51 PHE HB2 4.620 . 5.310 4.155 3.997 4.320 . 0 0 "[ . 1 . 2]" 1 998 1 50 ALA MB 1 51 PHE QD 2.850 . 3.280 2.475 2.248 2.765 . 0 0 "[ . 1 . 2]" 1 999 1 50 ALA MB 1 51 PHE QE 3.430 . 3.940 3.191 2.986 3.506 . 0 0 "[ . 1 . 2]" 1 1000 1 50 ALA MB 1 52 GLY H 4.420 . 5.080 4.190 4.094 4.292 . 0 0 "[ . 1 . 2]" 1 1001 1 51 PHE H 1 51 PHE HB2 4.070 . 4.680 2.459 2.418 2.518 . 0 0 "[ . 1 . 2]" 1 1002 1 51 PHE H 1 51 PHE QD 3.210 . 3.690 2.224 2.054 2.475 . 0 0 "[ . 1 . 2]" 1 1003 1 51 PHE H 1 52 GLY H 3.470 . 3.990 2.391 2.304 2.476 . 0 0 "[ . 1 . 2]" 1 1004 1 51 PHE H 1 53 ILE H 5.030 . 5.780 4.020 3.685 4.234 . 0 0 "[ . 1 . 2]" 1 1005 1 51 PHE H 1 53 ILE MD 5.500 . 6.330 4.508 4.305 4.651 . 0 0 "[ . 1 . 2]" 1 1006 1 51 PHE H 1 53 ILE MG 5.500 . 6.330 4.796 4.534 5.041 . 0 0 "[ . 1 . 2]" 1 1007 1 51 PHE HA 1 51 PHE QD 3.990 . 4.590 3.090 2.942 3.189 . 0 0 "[ . 1 . 2]" 1 1008 1 51 PHE HA 1 53 ILE MG 4.680 . 5.380 4.253 3.983 4.461 . 0 0 "[ . 1 . 2]" 1 1009 1 51 PHE HA 1 88 VAL QG 4.660 . 5.360 3.749 3.578 4.026 . 0 0 "[ . 1 . 2]" 1 1010 1 51 PHE HB2 1 51 PHE QD 3.080 . 3.540 2.487 2.433 2.545 . 0 0 "[ . 1 . 2]" 1 1011 1 51 PHE HB2 1 52 GLY H 4.280 . 4.920 3.187 3.030 3.375 . 0 0 "[ . 1 . 2]" 1 1012 1 51 PHE HB2 1 53 ILE H 4.750 . 5.460 3.272 2.757 3.642 . 0 0 "[ . 1 . 2]" 1 1013 1 51 PHE HB2 1 53 ILE MD 3.770 . 4.340 2.636 2.500 2.763 . 0 0 "[ . 1 . 2]" 1 1014 1 51 PHE HB2 1 53 ILE HG12 4.360 . 5.010 1.956 1.784 2.104 0.016 3 0 "[ . 1 . 2]" 1 1015 1 51 PHE HB2 1 53 ILE HG13 4.490 . 5.160 3.600 3.498 3.721 . 0 0 "[ . 1 . 2]" 1 1016 1 51 PHE HB2 1 53 ILE MG 4.060 . 4.670 2.984 2.678 3.353 . 0 0 "[ . 1 . 2]" 1 1017 1 51 PHE HB2 1 84 ILE MG 4.530 . 5.210 3.630 3.411 3.963 . 0 0 "[ . 1 . 2]" 1 1018 1 51 PHE HB2 1 88 VAL QG 3.750 . 4.310 3.247 3.102 3.401 . 0 0 "[ . 1 . 2]" 1 1019 1 51 PHE HB3 1 51 PHE QD 3.230 . 3.710 2.392 2.354 2.444 . 0 0 "[ . 1 . 2]" 1 1020 1 51 PHE HB3 1 52 GLY H 4.700 . 5.400 4.071 3.953 4.188 . 0 0 "[ . 1 . 2]" 1 1021 1 51 PHE HB3 1 53 ILE MD 4.450 . 5.120 2.898 2.739 3.147 . 0 0 "[ . 1 . 2]" 1 1022 1 51 PHE HB3 1 53 ILE HG13 5.080 . 5.840 4.740 4.564 4.955 . 0 0 "[ . 1 . 2]" 1 1023 1 51 PHE HB3 1 53 ILE MG 3.780 . 4.350 2.590 2.312 2.887 . 0 0 "[ . 1 . 2]" 1 1024 1 51 PHE HB3 1 84 ILE MG 4.390 . 5.050 3.630 3.273 4.036 . 0 0 "[ . 1 . 2]" 1 1025 1 51 PHE HB3 1 88 VAL QG 3.720 . 4.280 2.039 1.883 2.123 . 0 0 "[ . 1 . 2]" 1 1026 1 51 PHE HB3 1 91 LYS QE 5.200 . 5.980 3.858 2.959 4.513 . 0 0 "[ . 1 . 2]" 1 1027 1 51 PHE QD 1 52 GLY H 4.150 . 4.770 4.284 4.092 4.532 . 0 0 "[ . 1 . 2]" 1 1028 1 51 PHE QD 1 53 ILE MD 4.960 . 5.700 3.418 3.182 3.591 . 0 0 "[ . 1 . 2]" 1 1029 1 51 PHE QD 1 53 ILE HG12 4.950 . 5.690 3.812 3.493 4.110 . 0 0 "[ . 1 . 2]" 1 1030 1 51 PHE QD 1 53 ILE MG 4.530 . 5.210 4.135 3.921 4.355 . 0 0 "[ . 1 . 2]" 1 1031 1 51 PHE QD 1 84 ILE MD 4.720 . 5.430 4.317 4.017 4.643 . 0 0 "[ . 1 . 2]" 1 1032 1 51 PHE QD 1 84 ILE MG 3.440 . 3.960 3.042 2.809 3.319 . 0 0 "[ . 1 . 2]" 1 1033 1 51 PHE QD 1 88 VAL QG . . 3.570 1.953 1.824 2.083 . 0 0 "[ . 1 . 2]" 1 1034 1 51 PHE QE 1 84 ILE MD 4.300 . 4.950 3.586 3.268 3.954 . 0 0 "[ . 1 . 2]" 1 1035 1 51 PHE QE 1 84 ILE MG 3.830 . 4.400 2.990 2.841 3.123 . 0 0 "[ . 1 . 2]" 1 1036 1 51 PHE QE 1 88 VAL QG 4.450 . 5.120 3.464 3.225 3.759 . 0 0 "[ . 1 . 2]" 1 1037 1 51 PHE HZ 1 84 ILE MG 4.610 . 5.300 3.357 3.118 3.618 . 0 0 "[ . 1 . 2]" 1 1038 1 52 GLY H 1 53 ILE H 3.680 . 4.230 2.534 2.379 2.713 . 0 0 "[ . 1 . 2]" 1 1039 1 52 GLY H 1 53 ILE HG12 4.750 . 5.460 3.651 3.434 3.971 . 0 0 "[ . 1 . 2]" 1 1040 1 52 GLY H 1 53 ILE HG13 5.410 . 6.220 4.987 4.802 5.211 . 0 0 "[ . 1 . 2]" 1 1041 1 52 GLY H 1 53 ILE MG 4.490 . 5.160 4.095 3.867 4.260 . 0 0 "[ . 1 . 2]" 1 1042 1 52 GLY HA3 1 53 ILE MG 4.750 . 5.460 4.066 3.953 4.214 . 0 0 "[ . 1 . 2]" 1 1043 1 52 GLY HA3 1 91 LYS QE 5.340 . 6.140 3.967 3.176 5.514 . 0 0 "[ . 1 . 2]" 1 1044 1 53 ILE H 1 53 ILE MD 4.010 . 4.610 3.884 3.688 4.007 . 0 0 "[ . 1 . 2]" 1 1045 1 53 ILE H 1 53 ILE HG12 4.100 . 4.720 2.246 2.015 2.410 . 0 0 "[ . 1 . 2]" 1 1046 1 53 ILE H 1 53 ILE HG13 3.900 . 4.490 3.008 2.897 3.080 . 0 0 "[ . 1 . 2]" 1 1047 1 53 ILE H 1 53 ILE MG 3.920 . 4.510 2.968 2.589 3.178 . 0 0 "[ . 1 . 2]" 1 1048 1 53 ILE HA 1 53 ILE MD 4.310 . 4.960 4.263 4.242 4.275 . 0 0 "[ . 1 . 2]" 1 1049 1 53 ILE HA 1 53 ILE MG 3.330 . 3.830 2.386 2.355 2.425 . 0 0 "[ . 1 . 2]" 1 1050 1 53 ILE HA 1 54 LYS H 3.390 . 3.900 2.529 2.337 2.641 . 0 0 "[ . 1 . 2]" 1 1051 1 53 ILE HA 1 54 LYS QB 4.590 . 5.280 4.187 4.027 4.359 . 0 0 "[ . 1 . 2]" 1 1052 1 53 ILE HB 1 53 ILE MD 3.220 . 3.700 2.486 2.420 2.522 . 0 0 "[ . 1 . 2]" 1 1053 1 53 ILE HB 1 54 LYS H 3.230 . 3.710 2.172 1.924 2.624 . 0 0 "[ . 1 . 2]" 1 1054 1 53 ILE HB 1 54 LYS QB 5.340 . 6.140 4.313 4.129 4.501 . 0 0 "[ . 1 . 2]" 1 1055 1 53 ILE HB 1 55 LEU HB2 5.500 . 6.330 5.055 4.656 5.528 . 0 0 "[ . 1 . 2]" 1 1056 1 53 ILE HB 1 87 LEU HB2 4.590 . 5.280 3.570 3.249 3.926 . 0 0 "[ . 1 . 2]" 1 1057 1 53 ILE HB 1 87 LEU QB 4.030 . 4.630 2.474 2.181 2.882 . 0 0 "[ . 1 . 2]" 1 1058 1 53 ILE HB 1 87 LEU HB3 4.590 . 5.280 2.525 2.216 2.985 . 0 0 "[ . 1 . 2]" 1 1059 1 53 ILE HB 1 87 LEU MD1 4.900 . 5.640 3.322 3.017 3.904 . 0 0 "[ . 1 . 2]" 1 1060 1 53 ILE MD 1 54 LYS H 3.860 . 4.440 4.017 3.715 4.495 0.055 1 0 "[ . 1 . 2]" 1 1061 1 53 ILE MD 1 55 LEU HA 4.360 . 5.010 3.930 3.565 4.364 . 0 0 "[ . 1 . 2]" 1 1062 1 53 ILE MD 1 55 LEU HB2 3.690 . 4.240 3.063 2.738 3.485 . 0 0 "[ . 1 . 2]" 1 1063 1 53 ILE MD 1 84 ILE H 4.580 . 5.270 5.169 4.884 5.339 0.069 3 0 "[ . 1 . 2]" 1 1064 1 53 ILE MD 1 84 ILE HA 3.590 . 4.130 2.967 2.652 3.165 . 0 0 "[ . 1 . 2]" 1 1065 1 53 ILE MD 1 84 ILE MD 3.430 . 3.940 3.631 3.273 3.911 . 0 0 "[ . 1 . 2]" 1 1066 1 53 ILE MD 1 84 ILE HG12 4.180 . 4.810 2.999 2.588 3.337 . 0 0 "[ . 1 . 2]" 1 1067 1 53 ILE MD 1 84 ILE QG 3.370 . 3.880 2.947 2.557 3.267 . 0 0 "[ . 1 . 2]" 1 1068 1 53 ILE MD 1 84 ILE HG13 4.180 . 4.810 4.338 3.985 4.648 . 0 0 "[ . 1 . 2]" 1 1069 1 53 ILE MD 1 84 ILE MG 3.110 . 3.580 1.948 1.813 2.054 . 0 0 "[ . 1 . 2]" 1 1070 1 53 ILE MD 1 87 LEU H 4.350 . 5.000 4.299 4.020 4.527 . 0 0 "[ . 1 . 2]" 1 1071 1 53 ILE MD 1 87 LEU HA 5.000 . 5.750 4.577 4.414 4.784 . 0 0 "[ . 1 . 2]" 1 1072 1 53 ILE MD 1 87 LEU HB2 3.600 . 4.140 2.231 2.038 2.447 . 0 0 "[ . 1 . 2]" 1 1073 1 53 ILE MD 1 87 LEU HB3 3.600 . 4.140 2.612 2.376 2.812 . 0 0 "[ . 1 . 2]" 1 1074 1 53 ILE MD 1 87 LEU MD1 2.810 . 3.230 2.068 1.954 2.348 . 0 0 "[ . 1 . 2]" 1 1075 1 53 ILE MD 1 87 LEU MD2 4.720 . 5.430 3.889 3.593 4.042 . 0 0 "[ . 1 . 2]" 1 1076 1 53 ILE MD 1 88 VAL H 4.310 . 4.960 3.659 3.435 3.987 . 0 0 "[ . 1 . 2]" 1 1077 1 53 ILE MD 1 88 VAL HA 4.730 . 5.440 4.182 3.786 4.588 . 0 0 "[ . 1 . 2]" 1 1078 1 53 ILE MD 1 88 VAL QG 3.380 . 3.890 2.302 2.068 2.725 . 0 0 "[ . 1 . 2]" 1 1079 1 53 ILE HG12 1 53 ILE MG 3.390 . 3.900 2.480 2.447 2.503 . 0 0 "[ . 1 . 2]" 1 1080 1 53 ILE HG12 1 54 LYS H 4.700 . 5.400 4.517 4.306 4.906 . 0 0 "[ . 1 . 2]" 1 1081 1 53 ILE HG13 1 53 ILE MG 3.380 . 3.890 3.265 3.256 3.275 . 0 0 "[ . 1 . 2]" 1 1082 1 53 ILE HG13 1 54 LYS HA 4.640 . 5.340 3.819 3.330 4.283 . 0 0 "[ . 1 . 2]" 1 1083 1 53 ILE MG 1 54 LYS H 3.580 . 4.120 3.598 3.472 3.712 . 0 0 "[ . 1 . 2]" 1 1084 1 53 ILE MG 1 84 ILE MG 4.190 . 4.820 3.737 3.381 3.974 . 0 0 "[ . 1 . 2]" 1 1085 1 53 ILE MG 1 87 LEU H 5.040 . 5.800 4.854 4.539 5.316 . 0 0 "[ . 1 . 2]" 1 1086 1 53 ILE MG 1 87 LEU HA 4.480 . 5.150 4.253 4.059 4.685 . 0 0 "[ . 1 . 2]" 1 1087 1 53 ILE MG 1 87 LEU QB 3.810 . 4.380 2.604 2.402 3.079 . 0 0 "[ . 1 . 2]" 1 1088 1 53 ILE MG 1 87 LEU MD2 4.520 . 5.200 4.481 4.163 5.091 . 0 0 "[ . 1 . 2]" 1 1089 1 53 ILE MG 1 88 VAL H 4.030 . 4.630 3.261 3.038 3.475 . 0 0 "[ . 1 . 2]" 1 1090 1 53 ILE MG 1 88 VAL HA 3.240 . 3.730 2.417 2.146 2.685 . 0 0 "[ . 1 . 2]" 1 1091 1 53 ILE MG 1 88 VAL HB 4.470 . 5.140 3.661 3.317 3.918 . 0 0 "[ . 1 . 2]" 1 1092 1 53 ILE MG 1 88 VAL QG . . 3.520 1.978 1.826 2.062 . 0 0 "[ . 1 . 2]" 1 1093 1 53 ILE MG 1 89 ALA H 4.740 . 5.450 4.854 4.683 5.055 . 0 0 "[ . 1 . 2]" 1 1094 1 53 ILE MG 1 91 LYS HB3 4.510 . 5.190 3.512 2.761 4.188 . 0 0 "[ . 1 . 2]" 1 1095 1 53 ILE MG 1 91 LYS QD 3.600 . 4.140 2.451 1.774 4.266 0.126 16 0 "[ . 1 . 2]" 1 1096 1 53 ILE MG 1 91 LYS HE2 4.660 . 5.360 2.872 2.459 3.575 . 0 0 "[ . 1 . 2]" 1 1097 1 53 ILE MG 1 91 LYS QE 3.870 . 4.450 2.555 2.172 3.179 . 0 0 "[ . 1 . 2]" 1 1098 1 53 ILE MG 1 91 LYS HE3 4.660 . 5.360 3.067 2.247 4.311 . 0 0 "[ . 1 . 2]" 1 1099 1 53 ILE MG 1 91 LYS QG 4.720 . 5.430 3.241 2.779 4.107 . 0 0 "[ . 1 . 2]" 1 1100 1 54 LYS H 1 54 LYS HB2 3.810 . 4.380 3.028 2.801 3.183 . 0 0 "[ . 1 . 2]" 1 1101 1 54 LYS H 1 54 LYS QB 3.180 . 3.660 2.456 2.326 2.626 . 0 0 "[ . 1 . 2]" 1 1102 1 54 LYS H 1 54 LYS HB3 3.810 . 4.380 2.601 2.481 2.798 . 0 0 "[ . 1 . 2]" 1 1103 1 54 LYS H 1 54 LYS QG 4.300 . 4.950 4.066 4.000 4.142 . 0 0 "[ . 1 . 2]" 1 1104 1 54 LYS H 1 55 LEU H 4.760 . 5.470 4.024 3.790 4.227 . 0 0 "[ . 1 . 2]" 1 1105 1 54 LYS H 1 87 LEU MD1 4.000 . 4.600 3.942 3.347 4.386 . 0 0 "[ . 1 . 2]" 1 1106 1 54 LYS H 1 87 LEU MD2 4.330 . 4.980 4.233 3.283 4.980 0.000 1 0 "[ . 1 . 2]" 1 1107 1 54 LYS HA 1 54 LYS HD2 5.500 . 6.330 4.739 4.405 4.966 . 0 0 "[ . 1 . 2]" 1 1108 1 54 LYS HA 1 54 LYS QD 4.780 . 5.500 4.198 4.070 4.348 . 0 0 "[ . 1 . 2]" 1 1109 1 54 LYS HA 1 54 LYS HD3 5.500 . 6.330 4.727 4.411 5.012 . 0 0 "[ . 1 . 2]" 1 1110 1 54 LYS HA 1 54 LYS HE2 5.500 . 6.330 4.935 3.892 5.753 . 0 0 "[ . 1 . 2]" 1 1111 1 54 LYS HA 1 54 LYS HE3 5.500 . 6.330 5.099 4.258 6.133 . 0 0 "[ . 1 . 2]" 1 1112 1 54 LYS HA 1 54 LYS HG2 3.940 . 4.530 3.157 2.847 3.477 . 0 0 "[ . 1 . 2]" 1 1113 1 54 LYS HA 1 54 LYS QG 3.440 . 3.960 2.505 2.418 2.578 . 0 0 "[ . 1 . 2]" 1 1114 1 54 LYS HA 1 54 LYS HG3 3.940 . 4.530 2.635 2.521 2.727 . 0 0 "[ . 1 . 2]" 1 1115 1 54 LYS QB 1 55 LEU H 4.440 . 5.110 4.006 3.938 4.060 . 0 0 "[ . 1 . 2]" 1 1116 1 54 LYS QE 1 54 LYS QG 3.310 . 3.810 2.392 2.155 2.836 . 0 0 "[ . 1 . 2]" 1 1117 1 55 LEU H 1 55 LEU HB2 3.750 . 4.310 2.627 2.490 2.771 . 0 0 "[ . 1 . 2]" 1 1118 1 55 LEU H 1 55 LEU QD 4.620 . 5.120 3.854 3.786 3.928 . 0 0 "[ . 1 . 2]" 1 1119 1 55 LEU HA 1 55 LEU QD 3.260 . 3.750 3.024 2.855 3.141 . 0 0 "[ . 1 . 2]" 1 1120 1 55 LEU HA 1 56 PRO HG2 4.680 . 5.380 4.580 4.484 4.608 . 0 0 "[ . 1 . 2]" 1 1121 1 55 LEU HA 1 87 LEU MD1 3.740 . 4.300 2.207 1.993 2.546 . 0 0 "[ . 1 . 2]" 1 1122 1 55 LEU HA 1 87 LEU MD2 4.250 . 4.890 3.810 3.137 4.321 . 0 0 "[ . 1 . 2]" 1 1123 1 55 LEU HB2 1 60 TRP HH2 5.500 . 6.330 4.903 4.609 5.414 . 0 0 "[ . 1 . 2]" 1 1124 1 55 LEU HB3 1 55 LEU QD 2.890 . 3.320 2.212 2.198 2.225 . 0 0 "[ . 1 . 2]" 1 1125 1 55 LEU HB3 1 56 PRO HA 5.090 . 5.850 5.145 5.095 5.217 . 0 0 "[ . 1 . 2]" 1 1126 1 55 LEU QD 1 56 PRO HA 4.300 . 4.950 3.811 3.698 3.946 . 0 0 "[ . 1 . 2]" 1 1127 1 55 LEU QD 1 56 PRO HD2 4.330 . 4.980 3.268 2.970 3.520 . 0 0 "[ . 1 . 2]" 1 1128 1 55 LEU QD 1 56 PRO HG2 4.100 . 4.720 4.484 4.299 4.634 . 0 0 "[ . 1 . 2]" 1 1129 1 55 LEU QD 1 57 LEU H 3.950 . 4.540 2.605 2.397 2.849 . 0 0 "[ . 1 . 2]" 1 1130 1 55 LEU QD 1 57 LEU HA 3.400 . 3.910 2.755 2.546 2.899 . 0 0 "[ . 1 . 2]" 1 1131 1 55 LEU QD 1 57 LEU HB2 4.330 . 4.980 2.183 2.050 2.372 . 0 0 "[ . 1 . 2]" 1 1132 1 55 LEU QD 1 60 TRP H 5.500 . 6.330 4.792 4.411 5.040 . 0 0 "[ . 1 . 2]" 1 1133 1 55 LEU QD 1 60 TRP HE3 3.930 . 4.520 3.022 2.750 3.203 . 0 0 "[ . 1 . 2]" 1 1134 1 55 LEU QD 1 60 TRP HH2 3.400 . 3.880 2.918 2.538 3.280 . 0 0 "[ . 1 . 2]" 1 1135 1 55 LEU QD 1 60 TRP HZ2 4.420 . 5.080 3.914 3.541 4.313 . 0 0 "[ . 1 . 2]" 1 1136 1 55 LEU QD 1 60 TRP HZ3 4.010 . 4.610 2.500 2.264 2.786 . 0 0 "[ . 1 . 2]" 1 1137 1 55 LEU QD 1 80 LEU MD1 3.100 . 3.570 2.321 1.772 2.865 0.028 8 0 "[ . 1 . 2]" 1 1138 1 55 LEU QD 1 84 ILE MD 4.430 . 5.090 2.313 1.926 2.913 . 0 0 "[ . 1 . 2]" 1 1139 1 55 LEU QD 1 84 ILE QG 4.150 . 4.770 2.183 1.992 2.539 . 0 0 "[ . 1 . 2]" 1 1140 1 55 LEU QD 1 84 ILE MG 4.740 . 5.450 3.647 3.361 4.104 . 0 0 "[ . 1 . 2]" 1 1141 1 55 LEU HG 1 87 LEU MD1 4.170 . 4.800 2.829 2.494 3.339 . 0 0 "[ . 1 . 2]" 1 1142 1 56 PRO HA 1 57 LEU H 3.290 . 3.780 2.358 2.280 2.428 . 0 0 "[ . 1 . 2]" 1 1143 1 56 PRO HA 1 57 LEU HA 4.730 . 5.440 4.580 4.560 4.603 . 0 0 "[ . 1 . 2]" 1 1144 1 56 PRO HD2 1 87 LEU MD1 4.140 . 4.760 2.883 2.541 3.487 . 0 0 "[ . 1 . 2]" 1 1145 1 56 PRO HG2 1 60 TRP HE1 4.280 . 4.920 2.526 2.208 3.003 . 0 0 "[ . 1 . 2]" 1 1146 1 56 PRO HG2 1 60 TRP HZ2 4.840 . 5.570 4.350 3.688 5.258 . 0 0 "[ . 1 . 2]" 1 1147 1 56 PRO HG3 1 59 LYS QE 5.230 . 6.010 3.904 2.733 5.544 . 0 0 "[ . 1 . 2]" 1 1148 1 56 PRO HG3 1 60 TRP HD1 5.380 . 6.190 4.975 4.571 5.404 . 0 0 "[ . 1 . 2]" 1 1149 1 56 PRO HG3 1 60 TRP HE1 4.080 . 4.690 3.809 3.506 4.398 . 0 0 "[ . 1 . 2]" 1 1150 1 57 LEU H 1 57 LEU HB2 3.520 . 4.050 2.592 2.495 2.646 . 0 0 "[ . 1 . 2]" 1 1151 1 57 LEU H 1 57 LEU HB3 3.240 . 3.730 2.555 2.488 2.617 . 0 0 "[ . 1 . 2]" 1 1152 1 57 LEU H 1 57 LEU QD 4.070 . 4.680 3.804 3.741 3.841 . 0 0 "[ . 1 . 2]" 1 1153 1 57 LEU H 1 57 LEU HG 4.630 . 5.320 4.533 4.499 4.579 . 0 0 "[ . 1 . 2]" 1 1154 1 57 LEU H 1 58 GLU H 3.640 . 4.190 2.517 2.432 2.606 . 0 0 "[ . 1 . 2]" 1 1155 1 57 LEU HA 1 57 LEU QD 3.560 . 4.090 2.107 2.034 2.213 . 0 0 "[ . 1 . 2]" 1 1156 1 57 LEU HA 1 60 TRP H 4.480 . 5.150 3.077 2.791 3.415 . 0 0 "[ . 1 . 2]" 1 1157 1 57 LEU HA 1 60 TRP HB2 4.700 . 5.400 2.341 2.177 2.642 . 0 0 "[ . 1 . 2]" 1 1158 1 57 LEU HA 1 60 TRP QB 3.990 . 4.590 2.326 2.166 2.617 . 0 0 "[ . 1 . 2]" 1 1159 1 57 LEU HA 1 60 TRP HB3 4.700 . 5.400 4.002 3.812 4.255 . 0 0 "[ . 1 . 2]" 1 1160 1 57 LEU HA 1 60 TRP HE3 4.500 . 5.180 3.748 3.236 4.342 . 0 0 "[ . 1 . 2]" 1 1161 1 57 LEU HB2 1 58 GLU H 4.290 . 4.930 3.994 3.861 4.064 . 0 0 "[ . 1 . 2]" 1 1162 1 57 LEU HB3 1 57 LEU QD 3.070 . 3.530 2.301 2.260 2.333 . 0 0 "[ . 1 . 2]" 1 1163 1 57 LEU HB3 1 58 GLU H 3.920 . 4.510 2.845 2.670 2.993 . 0 0 "[ . 1 . 2]" 1 1164 1 57 LEU HB3 1 58 GLU HB3 4.610 . 5.300 4.638 4.276 4.952 . 0 0 "[ . 1 . 2]" 1 1165 1 57 LEU HB3 1 58 GLU HG2 4.320 . 4.970 4.776 4.433 5.000 0.030 10 0 "[ . 1 . 2]" 1 1166 1 57 LEU QD 1 58 GLU H 5.440 . 6.260 4.102 3.933 4.241 . 0 0 "[ . 1 . 2]" 1 1167 1 57 LEU QD 1 60 TRP QB 4.580 . 5.270 2.271 1.877 2.680 . 0 0 "[ . 1 . 2]" 1 1168 1 57 LEU QD 1 60 TRP HE3 4.130 . 4.750 2.867 2.463 3.339 . 0 0 "[ . 1 . 2]" 1 1169 1 58 GLU H 1 58 GLU HB3 3.310 . 3.810 2.570 2.482 2.615 . 0 0 "[ . 1 . 2]" 1 1170 1 58 GLU H 1 58 GLU HG2 3.950 . 4.540 2.087 1.944 2.255 . 0 0 "[ . 1 . 2]" 1 1171 1 58 GLU H 1 59 LYS H 3.840 . 4.420 2.709 2.606 2.788 . 0 0 "[ . 1 . 2]" 1 1172 1 58 GLU HA 1 58 GLU HG2 3.680 . 4.230 3.774 3.711 3.847 . 0 0 "[ . 1 . 2]" 1 1173 1 58 GLU HA 1 61 THR HB 3.730 . 4.290 3.249 2.456 3.497 . 0 0 "[ . 1 . 2]" 1 1174 1 58 GLU HB2 1 59 LYS H 3.640 . 4.190 3.793 3.664 3.912 . 0 0 "[ . 1 . 2]" 1 1175 1 58 GLU HB2 1 61 THR HB 4.720 . 5.430 5.368 4.423 5.657 0.227 10 0 "[ . 1 . 2]" 1 1176 1 58 GLU HB3 1 59 LYS H 4.460 . 5.130 4.019 3.935 4.066 . 0 0 "[ . 1 . 2]" 1 1177 1 58 GLU HG2 1 59 LYS H 4.720 . 5.430 2.686 2.287 2.937 . 0 0 "[ . 1 . 2]" 1 1178 1 58 GLU HG3 1 59 LYS H 4.640 . 5.340 2.397 2.173 2.638 . 0 0 "[ . 1 . 2]" 1 1179 1 58 GLU HG3 1 59 LYS HA 3.680 . 4.230 3.694 3.545 3.883 . 0 0 "[ . 1 . 2]" 1 1180 1 59 LYS H 1 59 LYS HB2 3.220 . 3.700 2.675 2.475 2.846 . 0 0 "[ . 1 . 2]" 1 1181 1 59 LYS H 1 59 LYS HB3 3.540 . 4.070 2.474 2.229 2.756 . 0 0 "[ . 1 . 2]" 1 1182 1 59 LYS H 1 60 TRP H 3.660 . 4.210 2.491 2.325 2.653 . 0 0 "[ . 1 . 2]" 1 1183 1 59 LYS HA 1 59 LYS HD2 5.420 . 6.230 4.668 4.297 4.928 . 0 0 "[ . 1 . 2]" 1 1184 1 59 LYS HA 1 59 LYS QD 4.620 . 5.310 4.115 4.001 4.221 . 0 0 "[ . 1 . 2]" 1 1185 1 59 LYS HA 1 59 LYS HD3 5.420 . 6.230 4.620 4.297 4.808 . 0 0 "[ . 1 . 2]" 1 1186 1 59 LYS HA 1 59 LYS QE 5.340 . 6.140 4.915 4.457 5.377 . 0 0 "[ . 1 . 2]" 1 1187 1 59 LYS HA 1 62 GLN H 4.070 . 4.680 3.573 3.156 4.128 . 0 0 "[ . 1 . 2]" 1 1188 1 59 LYS HA 1 62 GLN HB3 4.100 . 4.720 2.664 2.243 3.327 . 0 0 "[ . 1 . 2]" 1 1189 1 59 LYS HB3 1 59 LYS QD 3.260 . 3.750 2.662 2.332 3.060 . 0 0 "[ . 1 . 2]" 1 1190 1 59 LYS HB3 1 60 TRP H 4.000 . 4.600 2.587 2.340 2.842 . 0 0 "[ . 1 . 2]" 1 1191 1 59 LYS HB3 1 60 TRP HA 4.500 . 5.180 4.234 4.009 4.573 . 0 0 "[ . 1 . 2]" 1 1192 1 59 LYS HB3 1 60 TRP HD1 4.430 . 5.090 2.784 2.457 3.295 . 0 0 "[ . 1 . 2]" 1 1193 1 59 LYS HB3 1 60 TRP HE1 4.540 . 5.220 4.224 3.858 4.744 . 0 0 "[ . 1 . 2]" 1 1194 1 59 LYS QE 1 59 LYS QG 3.220 . 3.700 2.459 2.204 2.805 . 0 0 "[ . 1 . 2]" 1 1195 1 59 LYS QE 1 63 GLU QG 4.790 . 5.510 3.941 3.206 5.112 . 0 0 "[ . 1 . 2]" 1 1196 1 59 LYS HE2 1 60 TRP HD1 5.500 . 6.330 4.140 2.275 5.567 . 0 0 "[ . 1 . 2]" 1 1197 1 59 LYS HE2 1 60 TRP HE1 5.500 . 6.330 4.220 2.880 5.905 . 0 0 "[ . 1 . 2]" 1 1198 1 59 LYS HE3 1 60 TRP HD1 5.500 . 6.330 3.278 2.467 4.984 . 0 0 "[ . 1 . 2]" 1 1199 1 59 LYS HE3 1 60 TRP HE1 5.500 . 6.330 3.803 2.870 5.484 . 0 0 "[ . 1 . 2]" 1 1200 1 59 LYS QG 1 60 TRP H 4.940 . 5.680 3.587 3.142 4.181 . 0 0 "[ . 1 . 2]" 1 1201 1 59 LYS QG 1 60 TRP HD1 4.380 . 5.040 2.917 2.166 4.237 . 0 0 "[ . 1 . 2]" 1 1202 1 59 LYS QG 1 63 GLU QG 4.600 . 5.290 2.704 2.324 3.447 . 0 0 "[ . 1 . 2]" 1 1203 1 60 TRP H 1 60 TRP HD1 4.140 . 4.760 2.669 2.316 2.973 . 0 0 "[ . 1 . 2]" 1 1204 1 60 TRP H 1 61 THR H 4.030 . 4.630 2.782 2.677 2.889 . 0 0 "[ . 1 . 2]" 1 1205 1 60 TRP H 1 62 GLN H 4.640 . 5.340 4.014 3.833 4.212 . 0 0 "[ . 1 . 2]" 1 1206 1 60 TRP HA 1 60 TRP HD1 3.450 . 3.970 2.463 2.324 2.676 . 0 0 "[ . 1 . 2]" 1 1207 1 60 TRP QB 1 61 THR H 3.880 . 4.460 2.469 2.293 2.613 . 0 0 "[ . 1 . 2]" 1 1208 1 60 TRP HB2 1 61 THR H 4.530 . 5.210 2.527 2.338 2.677 . 0 0 "[ . 1 . 2]" 1 1209 1 60 TRP HB3 1 61 THR H 4.530 . 5.210 3.466 3.314 3.644 . 0 0 "[ . 1 . 2]" 1 1210 1 60 TRP HD1 1 61 THR H 4.920 . 5.660 4.931 4.758 5.032 . 0 0 "[ . 1 . 2]" 1 1211 1 60 TRP HE1 1 74 TYR HE1 4.780 . 5.500 4.227 3.772 4.822 . 0 0 "[ . 1 . 2]" 1 1212 1 60 TRP HE3 1 74 TYR HD1 4.370 . 5.030 3.741 3.055 4.328 . 0 0 "[ . 1 . 2]" 1 1213 1 60 TRP HH2 1 74 TYR HD1 4.710 . 5.420 4.577 4.115 5.110 . 0 0 "[ . 1 . 2]" 1 1214 1 60 TRP HH2 1 80 LEU MD1 3.340 . 3.840 3.123 2.299 3.702 . 0 0 "[ . 1 . 2]" 1 1215 1 60 TRP HH2 1 83 ARG H 5.290 . 6.080 5.167 4.728 5.460 . 0 0 "[ . 1 . 2]" 1 1216 1 60 TRP HH2 1 83 ARG HA 5.300 . 6.100 4.895 4.591 5.243 . 0 0 "[ . 1 . 2]" 1 1217 1 60 TRP HH2 1 83 ARG HB2 3.890 . 4.470 2.733 2.335 3.040 . 0 0 "[ . 1 . 2]" 1 1218 1 60 TRP HH2 1 83 ARG QB 3.400 . 3.910 2.402 2.231 2.596 . 0 0 "[ . 1 . 2]" 1 1219 1 60 TRP HH2 1 83 ARG HB3 3.890 . 4.470 2.715 2.406 3.107 . 0 0 "[ . 1 . 2]" 1 1220 1 60 TRP HH2 1 83 ARG HD2 5.500 . 6.330 5.857 5.531 6.168 . 0 0 "[ . 1 . 2]" 1 1221 1 60 TRP HH2 1 83 ARG HE 4.340 . 4.990 4.569 3.728 5.087 0.097 17 0 "[ . 1 . 2]" 1 1222 1 60 TRP HH2 1 83 ARG HG2 4.640 . 5.340 4.879 4.388 5.304 . 0 0 "[ . 1 . 2]" 1 1223 1 60 TRP HH2 1 83 ARG QG 4.020 . 4.620 3.836 3.375 4.312 . 0 0 "[ . 1 . 2]" 1 1224 1 60 TRP HH2 1 83 ARG HG3 4.640 . 5.340 4.018 3.482 4.564 . 0 0 "[ . 1 . 2]" 1 1225 1 60 TRP HH2 1 87 LEU MD1 4.040 . 4.650 2.985 2.401 3.777 . 0 0 "[ . 1 . 2]" 1 1226 1 60 TRP HZ2 1 74 TYR HD1 4.730 . 5.440 4.780 4.217 5.281 . 0 0 "[ . 1 . 2]" 1 1227 1 60 TRP HZ2 1 80 LEU MD1 5.500 . 6.330 5.101 4.445 5.542 . 0 0 "[ . 1 . 2]" 1 1228 1 60 TRP HZ2 1 83 ARG HB2 4.290 . 4.930 4.074 3.219 4.568 . 0 0 "[ . 1 . 2]" 1 1229 1 60 TRP HZ2 1 83 ARG QB 3.700 . 4.260 2.783 2.279 3.160 . 0 0 "[ . 1 . 2]" 1 1230 1 60 TRP HZ2 1 83 ARG HB3 4.290 . 4.930 2.835 2.310 3.222 . 0 0 "[ . 1 . 2]" 1 1231 1 60 TRP HZ2 1 83 ARG HD2 5.240 . 6.030 5.713 5.065 6.107 0.077 15 0 "[ . 1 . 2]" 1 1232 1 60 TRP HZ2 1 83 ARG HD3 5.500 . 6.330 5.896 5.017 6.392 0.062 4 0 "[ . 1 . 2]" 1 1233 1 60 TRP HZ2 1 83 ARG QG 4.680 . 5.380 4.321 3.406 4.775 . 0 0 "[ . 1 . 2]" 1 1234 1 60 TRP HZ2 1 87 LEU MD1 3.720 . 4.280 2.365 1.973 2.928 . 0 0 "[ . 1 . 2]" 1 1235 1 60 TRP HZ2 1 87 LEU MD2 4.720 . 5.430 3.287 2.434 4.208 . 0 0 "[ . 1 . 2]" 1 1236 1 60 TRP HZ3 1 80 LEU MD1 3.710 . 4.270 1.970 1.832 2.094 . 0 0 "[ . 1 . 2]" 1 1237 1 61 THR H 1 61 THR HB 3.830 . 4.400 2.555 2.480 2.654 . 0 0 "[ . 1 . 2]" 1 1238 1 61 THR H 1 61 THR MG 3.870 . 4.450 3.771 3.745 3.790 . 0 0 "[ . 1 . 2]" 1 1239 1 61 THR H 1 62 GLN H 3.450 . 3.970 2.797 2.576 2.940 . 0 0 "[ . 1 . 2]" 1 1240 1 61 THR H 1 62 GLN HB3 4.940 . 5.680 5.053 4.868 5.378 . 0 0 "[ . 1 . 2]" 1 1241 1 61 THR HA 1 61 THR MG 3.210 . 3.690 2.469 2.429 2.518 . 0 0 "[ . 1 . 2]" 1 1242 1 61 THR HA 1 64 VAL H 4.360 . 5.010 3.630 3.307 3.929 . 0 0 "[ . 1 . 2]" 1 1243 1 61 THR HA 1 64 VAL HB 3.980 . 4.580 3.126 2.718 3.371 . 0 0 "[ . 1 . 2]" 1 1244 1 61 THR HA 1 64 VAL MG1 4.670 . 5.370 4.397 4.000 4.635 . 0 0 "[ . 1 . 2]" 1 1245 1 61 THR HA 1 64 VAL MG2 4.230 . 4.860 3.043 2.535 3.675 . 0 0 "[ . 1 . 2]" 1 1246 1 61 THR HB 1 62 GLN H 3.640 . 4.190 2.678 2.475 2.945 . 0 0 "[ . 1 . 2]" 1 1247 1 61 THR HB 1 62 GLN HA 5.050 . 5.810 4.364 4.197 4.496 . 0 0 "[ . 1 . 2]" 1 1248 1 61 THR HB 1 62 GLN HB2 4.650 . 5.350 4.269 4.023 4.474 . 0 0 "[ . 1 . 2]" 1 1249 1 61 THR MG 1 62 GLN H 3.820 . 4.390 3.569 3.401 3.804 . 0 0 "[ . 1 . 2]" 1 1250 1 61 THR MG 1 65 ASN H 4.410 . 5.070 4.131 3.928 4.336 . 0 0 "[ . 1 . 2]" 1 1251 1 61 THR MG 1 65 ASN HB2 4.840 . 5.570 4.310 3.812 4.951 . 0 0 "[ . 1 . 2]" 1 1252 1 61 THR MG 1 65 ASN HB3 5.490 . 6.310 5.024 4.682 5.494 . 0 0 "[ . 1 . 2]" 1 1253 1 61 THR MG 1 65 ASN HD21 3.810 . 4.380 2.922 2.143 4.002 . 0 0 "[ . 1 . 2]" 1 1254 1 61 THR MG 1 65 ASN QD 3.230 . 3.710 2.075 1.795 2.863 0.005 18 0 "[ . 1 . 2]" 1 1255 1 61 THR MG 1 65 ASN HD22 3.810 . 4.380 2.160 1.834 2.932 . 0 0 "[ . 1 . 2]" 1 1256 1 62 GLN H 1 62 GLN HB2 3.260 . 3.750 2.560 2.392 2.719 . 0 0 "[ . 1 . 2]" 1 1257 1 62 GLN H 1 62 GLN HB3 3.410 . 3.920 2.538 2.391 2.736 . 0 0 "[ . 1 . 2]" 1 1258 1 62 GLN H 1 62 GLN HG2 4.610 . 5.300 4.651 4.602 4.701 . 0 0 "[ . 1 . 2]" 1 1259 1 62 GLN H 1 62 GLN HG3 4.580 . 5.270 4.503 4.407 4.583 . 0 0 "[ . 1 . 2]" 1 1260 1 62 GLN H 1 63 GLU H 3.470 . 3.990 2.638 2.532 2.712 . 0 0 "[ . 1 . 2]" 1 1261 1 62 GLN H 1 64 VAL H 5.070 . 5.830 4.159 3.908 4.326 . 0 0 "[ . 1 . 2]" 1 1262 1 62 GLN HA 1 62 GLN HE21 4.710 . 5.420 3.332 2.329 4.444 . 0 0 "[ . 1 . 2]" 1 1263 1 62 GLN HA 1 62 GLN QE 4.050 . 4.660 3.082 2.282 3.931 . 0 0 "[ . 1 . 2]" 1 1264 1 62 GLN HA 1 62 GLN HE22 4.710 . 5.420 3.738 3.264 4.383 . 0 0 "[ . 1 . 2]" 1 1265 1 62 GLN HA 1 62 GLN HG2 4.030 . 4.630 3.830 3.780 3.894 . 0 0 "[ . 1 . 2]" 1 1266 1 62 GLN HA 1 62 GLN HG3 3.610 . 4.150 3.189 2.955 3.421 . 0 0 "[ . 1 . 2]" 1 1267 1 62 GLN HA 1 65 ASN H 3.680 . 4.230 3.290 2.888 3.791 . 0 0 "[ . 1 . 2]" 1 1268 1 62 GLN HA 1 65 ASN HA 5.330 . 6.130 5.119 4.721 5.709 . 0 0 "[ . 1 . 2]" 1 1269 1 62 GLN HA 1 65 ASN HB2 3.410 . 3.920 2.385 2.050 2.835 . 0 0 "[ . 1 . 2]" 1 1270 1 62 GLN HA 1 65 ASN HD21 4.440 . 5.110 2.539 1.925 3.663 . 0 0 "[ . 1 . 2]" 1 1271 1 62 GLN HA 1 65 ASN QD 3.800 . 4.370 2.496 1.905 3.433 . 0 0 "[ . 1 . 2]" 1 1272 1 62 GLN HA 1 65 ASN HD22 4.440 . 5.110 3.787 2.975 4.840 . 0 0 "[ . 1 . 2]" 1 1273 1 62 GLN HB2 1 62 GLN HE22 4.790 . 5.510 4.197 3.470 4.828 . 0 0 "[ . 1 . 2]" 1 1274 1 62 GLN HB2 1 65 ASN HB2 5.240 . 6.030 4.738 4.179 5.310 . 0 0 "[ . 1 . 2]" 1 1275 1 62 GLN HB3 1 63 GLU H 3.080 . 3.540 2.778 2.605 2.924 . 0 0 "[ . 1 . 2]" 1 1276 1 62 GLN QE 1 65 ASN HB2 4.120 . 4.740 3.488 2.129 4.711 . 0 0 "[ . 1 . 2]" 1 1277 1 62 GLN HG2 1 63 GLU H 4.550 . 5.230 4.899 4.704 5.061 . 0 0 "[ . 1 . 2]" 1 1278 1 62 GLN HG3 1 63 GLU H 4.550 . 5.230 3.969 3.690 4.299 . 0 0 "[ . 1 . 2]" 1 1279 1 62 GLN HG3 1 63 GLU HA 4.420 . 5.080 4.035 3.652 4.436 . 0 0 "[ . 1 . 2]" 1 1280 1 63 GLU H 1 63 GLU HB2 3.740 . 4.300 2.560 2.413 2.751 . 0 0 "[ . 1 . 2]" 1 1281 1 63 GLU H 1 63 GLU QB 3.150 . 3.620 2.509 2.380 2.673 . 0 0 "[ . 1 . 2]" 1 1282 1 63 GLU H 1 63 GLU HB3 3.740 . 4.300 3.622 3.598 3.647 . 0 0 "[ . 1 . 2]" 1 1283 1 63 GLU H 1 63 GLU QG 3.240 . 3.730 2.242 2.095 2.496 . 0 0 "[ . 1 . 2]" 1 1284 1 63 GLU H 1 64 VAL H 3.340 . 3.840 2.692 2.570 2.789 . 0 0 "[ . 1 . 2]" 1 1285 1 63 GLU H 1 64 VAL MG2 5.340 . 6.140 4.110 3.957 4.247 . 0 0 "[ . 1 . 2]" 1 1286 1 63 GLU HA 1 63 GLU QG 3.590 . 4.130 2.860 2.342 3.209 . 0 0 "[ . 1 . 2]" 1 1287 1 63 GLU HA 1 66 ASP H 3.790 . 4.360 3.655 3.092 3.972 . 0 0 "[ . 1 . 2]" 1 1288 1 63 GLU HA 1 66 ASP HB2 4.720 . 5.430 3.871 2.911 4.960 . 0 0 "[ . 1 . 2]" 1 1289 1 63 GLU HA 1 66 ASP QB 3.950 . 4.540 3.075 2.195 3.507 . 0 0 "[ . 1 . 2]" 1 1290 1 63 GLU HA 1 66 ASP HB3 4.720 . 5.430 3.571 2.271 5.161 . 0 0 "[ . 1 . 2]" 1 1291 1 63 GLU HA 1 68 LYS HB2 3.840 . 4.420 2.480 2.049 3.197 . 0 0 "[ . 1 . 2]" 1 1292 1 63 GLU HA 1 68 LYS HB3 4.470 . 5.140 4.063 3.658 4.763 . 0 0 "[ . 1 . 2]" 1 1293 1 63 GLU HA 1 68 LYS QE 5.340 . 6.140 5.432 4.306 6.141 0.001 1 0 "[ . 1 . 2]" 1 1294 1 63 GLU QB 1 64 VAL MG2 4.380 . 5.040 3.115 2.865 3.595 . 0 0 "[ . 1 . 2]" 1 1295 1 63 GLU QB 1 65 ASN H 5.340 . 6.140 4.816 4.682 5.038 . 0 0 "[ . 1 . 2]" 1 1296 1 63 GLU QB 1 68 LYS H 4.630 . 5.320 4.121 3.824 4.371 . 0 0 "[ . 1 . 2]" 1 1297 1 63 GLU QB 1 69 ALA MB 3.260 . 3.750 2.102 1.749 2.926 0.051 3 0 "[ . 1 . 2]" 1 1298 1 63 GLU QB 1 74 TYR HE2 4.060 . 4.670 2.623 2.157 3.949 . 0 0 "[ . 1 . 2]" 1 1299 1 63 GLU HB2 1 64 VAL H 3.940 . 4.530 2.675 2.441 3.064 . 0 0 "[ . 1 . 2]" 1 1300 1 63 GLU HB2 1 69 ALA MB 3.860 . 4.440 2.650 2.317 3.411 . 0 0 "[ . 1 . 2]" 1 1301 1 63 GLU HB2 1 74 TYR HE2 4.670 . 5.370 2.748 2.203 4.161 . 0 0 "[ . 1 . 2]" 1 1302 1 63 GLU HB3 1 64 VAL H 3.940 . 4.530 3.718 3.484 3.875 . 0 0 "[ . 1 . 2]" 1 1303 1 63 GLU HB3 1 69 ALA MB 3.860 . 4.440 2.227 1.764 3.184 0.036 3 0 "[ . 1 . 2]" 1 1304 1 63 GLU HB3 1 74 TYR HE2 4.670 . 5.370 3.398 2.448 4.914 . 0 0 "[ . 1 . 2]" 1 1305 1 63 GLU QG 1 64 VAL H 4.400 . 5.060 4.067 3.822 4.341 . 0 0 "[ . 1 . 2]" 1 1306 1 63 GLU QG 1 68 LYS HB2 4.780 . 5.500 3.815 2.494 4.610 . 0 0 "[ . 1 . 2]" 1 1307 1 63 GLU QG 1 69 ALA MB 4.490 . 5.160 3.567 2.874 4.749 . 0 0 "[ . 1 . 2]" 1 1308 1 64 VAL H 1 64 VAL HB 3.150 . 3.620 2.542 2.404 2.633 . 0 0 "[ . 1 . 2]" 1 1309 1 64 VAL H 1 64 VAL MG1 3.870 . 4.450 3.816 3.775 3.849 . 0 0 "[ . 1 . 2]" 1 1310 1 64 VAL H 1 64 VAL MG2 3.060 . 3.520 2.132 2.013 2.345 . 0 0 "[ . 1 . 2]" 1 1311 1 64 VAL H 1 65 ASN H 3.370 . 3.880 2.619 2.533 2.707 . 0 0 "[ . 1 . 2]" 1 1312 1 64 VAL H 1 69 ALA MB 4.280 . 4.920 3.778 3.010 4.470 . 0 0 "[ . 1 . 2]" 1 1313 1 64 VAL HA 1 64 VAL MG1 3.060 . 3.520 2.473 2.413 2.571 . 0 0 "[ . 1 . 2]" 1 1314 1 64 VAL HA 1 64 VAL MG2 3.260 . 3.750 2.445 2.371 2.498 . 0 0 "[ . 1 . 2]" 1 1315 1 64 VAL HA 1 69 ALA H 3.600 . 4.140 3.126 2.584 3.562 . 0 0 "[ . 1 . 2]" 1 1316 1 64 VAL HA 1 69 ALA MB 4.110 . 4.730 3.546 2.765 4.502 . 0 0 "[ . 1 . 2]" 1 1317 1 64 VAL HB 1 65 ASN H 3.330 . 3.830 2.534 2.426 2.647 . 0 0 "[ . 1 . 2]" 1 1318 1 64 VAL HB 1 65 ASN HB2 5.500 . 6.330 4.859 4.480 5.071 . 0 0 "[ . 1 . 2]" 1 1319 1 64 VAL HB 1 66 ASP H 4.980 . 5.730 5.015 4.829 5.209 . 0 0 "[ . 1 . 2]" 1 1320 1 64 VAL HB 1 71 THR MG 4.450 . 5.120 3.932 3.398 4.980 . 0 0 "[ . 1 . 2]" 1 1321 1 64 VAL MG1 1 65 ASN H 3.370 . 3.880 3.424 3.114 3.549 . 0 0 "[ . 1 . 2]" 1 1322 1 64 VAL MG1 1 65 ASN HA 3.770 . 4.340 3.550 3.221 3.695 . 0 0 "[ . 1 . 2]" 1 1323 1 64 VAL MG1 1 65 ASN HB2 4.880 . 5.610 5.250 4.717 5.466 . 0 0 "[ . 1 . 2]" 1 1324 1 64 VAL MG1 1 65 ASN HB3 5.500 . 6.330 5.532 5.119 5.744 . 0 0 "[ . 1 . 2]" 1 1325 1 64 VAL MG1 1 67 GLY H 4.840 . 5.570 4.544 4.373 4.754 . 0 0 "[ . 1 . 2]" 1 1326 1 64 VAL MG1 1 70 THR HA 4.820 . 5.540 2.984 2.378 3.555 . 0 0 "[ . 1 . 2]" 1 1327 1 64 VAL MG1 1 71 THR HB 4.710 . 5.420 4.307 3.968 4.736 . 0 0 "[ . 1 . 2]" 1 1328 1 64 VAL MG1 1 71 THR MG 3.190 . 3.670 2.153 1.727 3.429 0.073 16 0 "[ . 1 . 2]" 1 1329 1 64 VAL MG2 1 67 GLY H 5.500 . 6.330 5.346 5.121 5.476 . 0 0 "[ . 1 . 2]" 1 1330 1 64 VAL MG2 1 68 LYS H 5.500 . 6.330 5.648 5.403 5.838 . 0 0 "[ . 1 . 2]" 1 1331 1 64 VAL MG2 1 69 ALA H 4.150 . 4.770 4.322 3.920 4.663 . 0 0 "[ . 1 . 2]" 1 1332 1 64 VAL MG2 1 69 ALA HA 4.820 . 5.540 4.898 4.298 5.411 . 0 0 "[ . 1 . 2]" 1 1333 1 64 VAL MG2 1 70 THR H 4.460 . 5.130 4.032 3.529 4.447 . 0 0 "[ . 1 . 2]" 1 1334 1 64 VAL MG2 1 70 THR HA 3.970 . 4.570 3.192 2.893 3.522 . 0 0 "[ . 1 . 2]" 1 1335 1 64 VAL MG2 1 71 THR H 4.560 . 5.240 3.256 2.866 3.620 . 0 0 "[ . 1 . 2]" 1 1336 1 64 VAL MG2 1 71 THR HA 3.670 . 4.220 2.547 2.129 2.889 . 0 0 "[ . 1 . 2]" 1 1337 1 64 VAL MG2 1 71 THR HB 4.960 . 5.700 4.322 3.998 4.696 . 0 0 "[ . 1 . 2]" 1 1338 1 64 VAL MG2 1 71 THR MG 3.470 . 3.990 2.613 2.008 3.213 . 0 0 "[ . 1 . 2]" 1 1339 1 64 VAL MG2 1 73 GLN H 5.320 . 6.120 4.987 4.684 5.410 . 0 0 "[ . 1 . 2]" 1 1340 1 64 VAL MG2 1 74 TYR HD2 3.420 . 3.930 2.723 2.220 3.365 . 0 0 "[ . 1 . 2]" 1 1341 1 64 VAL MG2 1 74 TYR HE2 4.010 . 4.610 3.151 2.036 3.923 . 0 0 "[ . 1 . 2]" 1 1342 1 64 VAL MG2 1 75 PHE HE1 4.380 . 5.040 2.781 2.300 3.238 . 0 0 "[ . 1 . 2]" 1 1343 1 65 ASN H 1 65 ASN HB2 2.990 . 3.440 2.498 2.266 2.606 . 0 0 "[ . 1 . 2]" 1 1344 1 65 ASN H 1 65 ASN QD 4.390 . 5.050 3.434 2.435 4.207 . 0 0 "[ . 1 . 2]" 1 1345 1 65 ASN H 1 66 ASP H 2.700 . 3.110 2.782 2.632 2.916 . 0 0 "[ . 1 . 2]" 1 1346 1 65 ASN HA 1 67 GLY H 4.410 . 5.070 4.041 3.702 4.247 . 0 0 "[ . 1 . 2]" 1 1347 1 65 ASN HB2 1 65 ASN QD 3.220 . 3.700 2.272 2.202 2.773 . 0 0 "[ . 1 . 2]" 1 1348 1 65 ASN HB2 1 65 ASN HD22 3.860 . 4.440 3.521 3.490 3.751 . 0 0 "[ . 1 . 2]" 1 1349 1 65 ASN HB2 1 66 ASP H 3.680 . 4.230 2.956 2.615 3.254 . 0 0 "[ . 1 . 2]" 1 1350 1 66 ASP H 1 66 ASP HB2 3.670 . 4.220 2.574 2.364 2.699 . 0 0 "[ . 1 . 2]" 1 1351 1 66 ASP H 1 66 ASP QB 2.960 . 3.400 2.335 2.248 2.423 . 0 0 "[ . 1 . 2]" 1 1352 1 66 ASP H 1 66 ASP HB3 3.670 . 4.220 2.851 2.435 3.681 . 0 0 "[ . 1 . 2]" 1 1353 1 66 ASP H 1 67 GLY H 3.020 . 3.470 2.357 2.192 2.622 . 0 0 "[ . 1 . 2]" 1 1354 1 66 ASP QB 1 67 GLY H 3.710 . 4.270 3.287 3.119 3.488 . 0 0 "[ . 1 . 2]" 1 1355 1 66 ASP QB 1 68 LYS HB2 4.290 . 4.930 3.624 3.308 4.148 . 0 0 "[ . 1 . 2]" 1 1356 1 66 ASP QB 1 68 LYS QD 4.620 . 5.310 3.853 2.803 4.812 . 0 0 "[ . 1 . 2]" 1 1357 1 66 ASP QB 1 68 LYS QE 4.720 . 5.430 4.171 2.643 5.113 . 0 0 "[ . 1 . 2]" 1 1358 1 66 ASP QB 1 68 LYS HG2 4.730 . 5.440 2.273 1.909 2.879 . 0 0 "[ . 1 . 2]" 1 1359 1 66 ASP QB 1 68 LYS HG3 4.420 . 5.080 3.222 2.728 3.715 . 0 0 "[ . 1 . 2]" 1 1360 1 66 ASP HB2 1 67 GLY H 4.260 . 4.900 4.055 3.416 4.317 . 0 0 "[ . 1 . 2]" 1 1361 1 66 ASP HB3 1 67 GLY H 4.260 . 4.900 3.595 3.222 4.288 . 0 0 "[ . 1 . 2]" 1 1362 1 67 GLY H 1 68 LYS H 3.000 . 3.450 2.519 2.366 2.610 . 0 0 "[ . 1 . 2]" 1 1363 1 67 GLY H 1 68 LYS HB2 5.010 . 5.760 4.736 4.511 4.984 . 0 0 "[ . 1 . 2]" 1 1364 1 67 GLY H 1 68 LYS HG2 4.720 . 5.430 4.279 3.965 4.625 . 0 0 "[ . 1 . 2]" 1 1365 1 67 GLY H 1 69 ALA H 4.070 . 4.680 3.809 3.515 4.502 . 0 0 "[ . 1 . 2]" 1 1366 1 67 GLY QA 1 68 LYS HA 4.680 . 5.380 4.189 4.134 4.266 . 0 0 "[ . 1 . 2]" 1 1367 1 67 GLY QA 1 68 LYS QD 5.180 . 5.960 4.844 4.209 5.978 0.018 4 0 "[ . 1 . 2]" 1 1368 1 67 GLY QA 1 69 ALA H 4.670 . 5.370 3.427 3.050 4.401 . 0 0 "[ . 1 . 2]" 1 1369 1 68 LYS H 1 68 LYS HB2 3.190 . 3.670 2.514 2.361 2.737 . 0 0 "[ . 1 . 2]" 1 1370 1 68 LYS H 1 68 LYS HB3 4.140 . 4.760 3.629 3.601 3.677 . 0 0 "[ . 1 . 2]" 1 1371 1 68 LYS H 1 68 LYS QD 4.100 . 4.720 3.653 3.130 4.383 . 0 0 "[ . 1 . 2]" 1 1372 1 68 LYS H 1 68 LYS HE2 5.500 . 6.330 5.290 3.824 6.034 . 0 0 "[ . 1 . 2]" 1 1373 1 68 LYS H 1 68 LYS HE3 5.500 . 6.330 5.018 3.615 5.993 . 0 0 "[ . 1 . 2]" 1 1374 1 68 LYS H 1 68 LYS HG2 4.060 . 4.670 2.369 2.071 2.686 . 0 0 "[ . 1 . 2]" 1 1375 1 68 LYS H 1 68 LYS HG3 3.820 . 4.390 3.721 3.524 3.895 . 0 0 "[ . 1 . 2]" 1 1376 1 68 LYS H 1 69 ALA H 3.170 . 3.650 2.451 2.265 2.573 . 0 0 "[ . 1 . 2]" 1 1377 1 68 LYS H 1 69 ALA HA 5.140 . 5.910 5.141 5.025 5.263 . 0 0 "[ . 1 . 2]" 1 1378 1 68 LYS H 1 69 ALA MB 4.440 . 5.110 4.444 4.258 4.627 . 0 0 "[ . 1 . 2]" 1 1379 1 68 LYS HA 1 68 LYS QD 3.490 . 4.010 2.343 2.065 3.299 . 0 0 "[ . 1 . 2]" 1 1380 1 68 LYS HA 1 68 LYS HE2 5.500 . 6.330 4.222 1.915 4.961 . 0 0 "[ . 1 . 2]" 1 1381 1 68 LYS HA 1 68 LYS QE 4.680 . 5.380 3.428 1.813 4.472 . 0 0 "[ . 1 . 2]" 1 1382 1 68 LYS HA 1 68 LYS HE3 5.500 . 6.330 3.872 1.819 5.084 . 0 0 "[ . 1 . 2]" 1 1383 1 68 LYS HA 1 68 LYS HG2 3.430 . 3.940 3.142 2.917 3.358 . 0 0 "[ . 1 . 2]" 1 1384 1 68 LYS HA 1 68 LYS HG3 3.960 . 4.550 3.842 3.764 3.918 . 0 0 "[ . 1 . 2]" 1 1385 1 68 LYS HA 1 69 ALA HA 4.600 . 5.290 4.653 4.558 4.744 . 0 0 "[ . 1 . 2]" 1 1386 1 68 LYS HB2 1 69 ALA H 3.860 . 4.440 2.925 2.145 3.383 . 0 0 "[ . 1 . 2]" 1 1387 1 68 LYS HB3 1 68 LYS QD 3.590 . 4.130 2.588 2.313 3.097 . 0 0 "[ . 1 . 2]" 1 1388 1 68 LYS HB3 1 68 LYS HE2 5.500 . 6.330 4.069 2.294 4.918 . 0 0 "[ . 1 . 2]" 1 1389 1 68 LYS HB3 1 68 LYS QE 4.740 . 5.450 3.361 2.096 4.321 . 0 0 "[ . 1 . 2]" 1 1390 1 68 LYS HB3 1 68 LYS HE3 5.500 . 6.330 3.744 2.130 4.789 . 0 0 "[ . 1 . 2]" 1 1391 1 68 LYS HB3 1 69 ALA H 4.310 . 4.960 3.902 3.265 4.208 . 0 0 "[ . 1 . 2]" 1 1392 1 68 LYS QD 1 68 LYS HG3 2.580 . 2.970 2.373 2.185 2.501 . 0 0 "[ . 1 . 2]" 1 1393 1 68 LYS QE 1 68 LYS HG3 3.650 . 4.200 2.746 2.377 3.601 . 0 0 "[ . 1 . 2]" 1 1394 1 68 LYS HE2 1 68 LYS HG3 4.160 . 4.780 3.216 2.529 4.298 . 0 0 "[ . 1 . 2]" 1 1395 1 68 LYS HE3 1 68 LYS HG3 4.160 . 4.780 3.118 2.484 3.865 . 0 0 "[ . 1 . 2]" 1 1396 1 68 LYS HG3 1 69 ALA H 5.290 . 6.080 5.127 4.549 5.545 . 0 0 "[ . 1 . 2]" 1 1397 1 69 ALA H 1 69 ALA MB 3.370 . 3.880 2.701 2.343 2.900 . 0 0 "[ . 1 . 2]" 1 1398 1 69 ALA H 1 70 THR H 4.470 . 5.140 4.385 4.331 4.531 . 0 0 "[ . 1 . 2]" 1 1399 1 69 ALA HA 1 70 THR H 3.060 . 3.520 2.399 2.283 2.490 . 0 0 "[ . 1 . 2]" 1 1400 1 69 ALA HA 1 73 GLN QE 4.540 . 5.220 3.626 2.787 5.281 0.061 10 0 "[ . 1 . 2]" 1 1401 1 69 ALA MB 1 70 THR H 3.230 . 3.710 2.368 2.221 2.582 . 0 0 "[ . 1 . 2]" 1 1402 1 69 ALA MB 1 73 GLN HE21 4.080 . 4.690 2.646 1.831 3.927 . 0 0 "[ . 1 . 2]" 1 1403 1 69 ALA MB 1 73 GLN QE 3.580 . 4.120 2.246 1.767 3.065 0.033 8 0 "[ . 1 . 2]" 1 1404 1 69 ALA MB 1 73 GLN HE22 4.080 . 4.690 2.528 2.077 4.278 . 0 0 "[ . 1 . 2]" 1 1405 1 69 ALA MB 1 74 TYR HD2 4.290 . 4.930 3.537 2.830 3.985 . 0 0 "[ . 1 . 2]" 1 1406 1 69 ALA MB 1 74 TYR HE2 3.290 . 3.780 2.073 1.789 2.194 0.011 15 0 "[ . 1 . 2]" 1 1407 1 70 THR H 1 70 THR MG 3.340 . 3.840 2.374 1.995 2.863 . 0 0 "[ . 1 . 2]" 1 1408 1 70 THR H 1 71 THR H 4.900 . 5.640 4.534 4.481 4.596 . 0 0 "[ . 1 . 2]" 1 1409 1 70 THR H 1 73 GLN H 4.890 . 5.620 3.825 3.524 4.063 . 0 0 "[ . 1 . 2]" 1 1410 1 70 THR H 1 73 GLN QB 4.350 . 5.000 2.845 2.548 3.272 . 0 0 "[ . 1 . 2]" 1 1411 1 70 THR H 1 73 GLN QG 5.340 . 6.140 4.679 4.336 5.234 . 0 0 "[ . 1 . 2]" 1 1412 1 70 THR HA 1 70 THR MG 3.360 . 3.860 2.873 2.356 3.280 . 0 0 "[ . 1 . 2]" 1 1413 1 70 THR HA 1 71 THR MG 4.420 . 5.080 4.238 3.750 5.418 0.338 20 0 "[ . 1 . 2]" 1 1414 1 70 THR HA 1 72 GLU H 5.240 . 6.030 4.098 3.943 4.321 . 0 0 "[ . 1 . 2]" 1 1415 1 70 THR HB 1 71 THR H 4.180 . 4.810 3.305 2.452 3.956 . 0 0 "[ . 1 . 2]" 1 1416 1 70 THR HB 1 72 GLU H 4.710 . 5.420 3.466 2.255 4.496 . 0 0 "[ . 1 . 2]" 1 1417 1 70 THR MG 1 71 THR H 3.980 . 4.580 3.670 3.192 3.846 . 0 0 "[ . 1 . 2]" 1 1418 1 70 THR MG 1 72 GLU H 4.320 . 4.970 3.293 2.153 4.262 . 0 0 "[ . 1 . 2]" 1 1419 1 70 THR MG 1 73 GLN H 4.630 . 5.320 2.944 1.700 4.913 0.100 13 0 "[ . 1 . 2]" 1 1420 1 71 THR H 1 71 THR MG 3.560 . 4.090 2.627 2.146 3.739 . 0 0 "[ . 1 . 2]" 1 1421 1 71 THR H 1 72 GLU H 3.990 . 4.590 2.633 2.558 2.748 . 0 0 "[ . 1 . 2]" 1 1422 1 71 THR HA 1 71 THR MG 3.510 . 4.040 2.372 2.296 2.442 . 0 0 "[ . 1 . 2]" 1 1423 1 71 THR HB 1 75 PHE HD1 4.430 . 5.090 3.238 2.627 4.900 . 0 0 "[ . 1 . 2]" 1 1424 1 71 THR MG 1 72 GLU H 4.360 . 5.010 4.047 3.911 4.161 . 0 0 "[ . 1 . 2]" 1 1425 1 71 THR MG 1 75 PHE HD1 3.970 . 4.570 3.156 2.372 3.675 . 0 0 "[ . 1 . 2]" 1 1426 1 72 GLU H 1 72 GLU HB2 3.860 . 4.440 2.508 2.419 2.600 . 0 0 "[ . 1 . 2]" 1 1427 1 72 GLU H 1 72 GLU HB3 3.780 . 4.350 2.521 2.406 2.620 . 0 0 "[ . 1 . 2]" 1 1428 1 72 GLU H 1 72 GLU HG2 4.670 . 5.370 4.496 4.424 4.558 . 0 0 "[ . 1 . 2]" 1 1429 1 72 GLU H 1 72 GLU HG3 4.490 . 5.160 4.491 4.417 4.634 . 0 0 "[ . 1 . 2]" 1 1430 1 72 GLU H 1 73 GLN H 3.740 . 4.300 2.773 2.668 2.905 . 0 0 "[ . 1 . 2]" 1 1431 1 72 GLU HA 1 72 GLU HG2 3.980 . 4.580 3.117 2.584 3.257 . 0 0 "[ . 1 . 2]" 1 1432 1 72 GLU HA 1 72 GLU HG3 4.010 . 4.610 2.761 2.520 3.752 . 0 0 "[ . 1 . 2]" 1 1433 1 72 GLU HA 1 73 GLN HA 4.850 . 5.580 4.873 4.797 4.938 . 0 0 "[ . 1 . 2]" 1 1434 1 72 GLU HA 1 75 PHE H 4.660 . 5.360 4.224 3.670 4.616 . 0 0 "[ . 1 . 2]" 1 1435 1 72 GLU HA 1 75 PHE QB 4.500 . 5.180 3.990 3.538 4.298 . 0 0 "[ . 1 . 2]" 1 1436 1 72 GLU HA 1 76 VAL H 4.020 . 4.620 3.153 2.926 3.515 . 0 0 "[ . 1 . 2]" 1 1437 1 72 GLU HA 1 76 VAL MG2 3.390 . 3.900 1.965 1.792 2.287 0.008 5 0 "[ . 1 . 2]" 1 1438 1 72 GLU HB2 1 73 GLN H 4.190 . 4.820 3.934 3.800 4.058 . 0 0 "[ . 1 . 2]" 1 1439 1 72 GLU HB2 1 76 VAL MG2 3.850 . 4.430 3.552 3.362 3.784 . 0 0 "[ . 1 . 2]" 1 1440 1 72 GLU HB3 1 73 GLN H 4.250 . 4.890 2.663 2.442 2.879 . 0 0 "[ . 1 . 2]" 1 1441 1 72 GLU HB3 1 73 GLN HA 5.290 . 6.080 4.263 4.063 4.439 . 0 0 "[ . 1 . 2]" 1 1442 1 72 GLU HB3 1 76 VAL MG2 4.080 . 4.690 4.099 4.007 4.196 . 0 0 "[ . 1 . 2]" 1 1443 1 72 GLU HG2 1 73 GLN H 4.420 . 5.080 3.880 3.609 4.580 . 0 0 "[ . 1 . 2]" 1 1444 1 72 GLU HG2 1 76 VAL MG1 4.470 . 5.140 4.388 4.003 4.754 . 0 0 "[ . 1 . 2]" 1 1445 1 72 GLU HG2 1 76 VAL MG2 3.900 . 4.490 2.778 1.967 3.090 . 0 0 "[ . 1 . 2]" 1 1446 1 72 GLU HG2 1 79 ASN HD21 5.420 . 6.230 3.170 2.240 4.143 . 0 0 "[ . 1 . 2]" 1 1447 1 72 GLU HG2 1 79 ASN HD22 4.960 . 5.700 2.994 2.250 3.755 . 0 0 "[ . 1 . 2]" 1 1448 1 72 GLU HG3 1 76 VAL MG2 3.650 . 4.200 2.157 1.809 3.360 . 0 0 "[ . 1 . 2]" 1 1449 1 72 GLU HG3 1 79 ASN HD21 4.770 . 5.490 4.338 3.113 5.535 0.045 20 0 "[ . 1 . 2]" 1 1450 1 73 GLN H 1 73 GLN HB2 3.540 . 4.070 2.482 2.384 2.554 . 0 0 "[ . 1 . 2]" 1 1451 1 73 GLN H 1 73 GLN HB3 3.540 . 4.070 2.557 2.411 2.715 . 0 0 "[ . 1 . 2]" 1 1452 1 73 GLN H 1 73 GLN QG 4.350 . 5.000 4.003 3.979 4.027 . 0 0 "[ . 1 . 2]" 1 1453 1 73 GLN H 1 74 TYR H 3.950 . 4.540 2.726 2.616 2.800 . 0 0 "[ . 1 . 2]" 1 1454 1 73 GLN H 1 76 VAL MG2 5.500 . 6.330 4.657 4.580 4.796 . 0 0 "[ . 1 . 2]" 1 1455 1 73 GLN HA 1 76 VAL HB 5.500 . 6.330 4.925 4.535 5.270 . 0 0 "[ . 1 . 2]" 1 1456 1 73 GLN HA 1 79 ASN QB 4.280 . 4.920 3.099 2.353 3.902 . 0 0 "[ . 1 . 2]" 1 1457 1 73 GLN HA 1 79 ASN HD21 3.600 . 4.140 2.509 1.725 3.573 0.075 8 0 "[ . 1 . 2]" 1 1458 1 73 GLN HA 1 79 ASN HD22 4.190 . 4.820 3.588 2.932 4.466 . 0 0 "[ . 1 . 2]" 1 1459 1 73 GLN QB 1 74 TYR H 4.170 . 4.800 2.903 2.766 3.136 . 0 0 "[ . 1 . 2]" 1 1460 1 74 TYR H 1 74 TYR HD2 4.180 . 4.810 3.419 2.959 3.967 . 0 0 "[ . 1 . 2]" 1 1461 1 74 TYR H 1 75 PHE H 3.690 . 4.240 2.431 2.094 2.662 . 0 0 "[ . 1 . 2]" 1 1462 1 74 TYR H 1 76 VAL H 4.530 . 5.210 3.886 3.761 4.007 . 0 0 "[ . 1 . 2]" 1 1463 1 74 TYR HA 1 74 TYR HD1 3.210 . 3.690 2.413 2.172 2.662 . 0 0 "[ . 1 . 2]" 1 1464 1 74 TYR HA 1 74 TYR HE1 4.810 . 5.530 4.620 4.471 4.767 . 0 0 "[ . 1 . 2]" 1 1465 1 74 TYR HA 1 83 ARG QG 4.940 . 5.680 2.811 2.294 3.396 . 0 0 "[ . 1 . 2]" 1 1466 1 74 TYR HB2 1 74 TYR HD2 3.570 . 4.110 2.376 2.352 2.423 . 0 0 "[ . 1 . 2]" 1 1467 1 74 TYR HB2 1 75 PHE H 4.690 . 5.390 2.552 1.992 3.810 . 0 0 "[ . 1 . 2]" 1 1468 1 74 TYR HB2 1 75 PHE HD1 4.140 . 4.760 2.514 2.299 2.775 . 0 0 "[ . 1 . 2]" 1 1469 1 74 TYR HB3 1 74 TYR HD1 3.250 . 3.740 2.729 2.595 2.914 . 0 0 "[ . 1 . 2]" 1 1470 1 74 TYR HB3 1 75 PHE H 4.550 . 5.230 3.520 3.129 4.421 . 0 0 "[ . 1 . 2]" 1 1471 1 74 TYR HB3 1 75 PHE HD1 4.240 . 4.880 3.932 3.642 4.265 . 0 0 "[ . 1 . 2]" 1 1472 1 74 TYR HD1 1 83 ARG QB 4.800 . 5.520 3.460 2.791 3.951 . 0 0 "[ . 1 . 2]" 1 1473 1 74 TYR HD1 1 83 ARG HD2 5.210 . 5.990 4.624 4.230 5.227 . 0 0 "[ . 1 . 2]" 1 1474 1 74 TYR HD1 1 83 ARG HD3 4.210 . 4.840 3.459 2.766 4.213 . 0 0 "[ . 1 . 2]" 1 1475 1 74 TYR HD1 1 83 ARG HE 4.300 . 4.950 3.355 2.476 4.393 . 0 0 "[ . 1 . 2]" 1 1476 1 74 TYR HD1 1 83 ARG HG2 4.210 . 4.840 3.549 3.323 4.122 . 0 0 "[ . 1 . 2]" 1 1477 1 74 TYR HD1 1 83 ARG QG 3.370 . 3.880 1.972 1.770 2.489 0.030 13 0 "[ . 1 . 2]" 1 1478 1 74 TYR HD1 1 83 ARG HG3 4.210 . 4.840 1.983 1.776 2.509 0.024 13 0 "[ . 1 . 2]" 1 1479 1 74 TYR HE1 1 83 ARG HD3 4.690 . 5.390 3.189 2.490 3.725 . 0 0 "[ . 1 . 2]" 1 1480 1 74 TYR HE1 1 83 ARG QG 4.560 . 5.240 3.158 2.520 3.909 . 0 0 "[ . 1 . 2]" 1 1481 1 75 PHE H 1 75 PHE QB 3.690 . 4.240 2.468 2.381 2.700 . 0 0 "[ . 1 . 2]" 1 1482 1 75 PHE H 1 75 PHE HD1 4.540 . 5.220 2.294 1.880 3.258 . 0 0 "[ . 1 . 2]" 1 1483 1 75 PHE H 1 76 VAL H 3.660 . 4.210 2.731 1.986 3.096 . 0 0 "[ . 1 . 2]" 1 1484 1 75 PHE H 1 76 VAL HB 4.950 . 5.690 5.078 4.180 5.545 . 0 0 "[ . 1 . 2]" 1 1485 1 75 PHE H 1 76 VAL MG2 4.710 . 5.420 4.321 3.654 4.697 . 0 0 "[ . 1 . 2]" 1 1486 1 75 PHE HA 1 75 PHE HD1 3.880 . 4.460 3.854 3.616 4.038 . 0 0 "[ . 1 . 2]" 1 1487 1 76 VAL H 1 76 VAL HB 3.320 . 3.820 2.628 2.538 2.695 . 0 0 "[ . 1 . 2]" 1 1488 1 76 VAL H 1 76 VAL MG1 3.810 . 4.380 3.875 3.855 3.898 . 0 0 "[ . 1 . 2]" 1 1489 1 76 VAL H 1 76 VAL MG2 3.350 . 3.850 2.246 2.178 2.365 . 0 0 "[ . 1 . 2]" 1 1490 1 76 VAL H 1 79 ASN QB 4.260 . 4.900 3.376 3.110 3.622 . 0 0 "[ . 1 . 2]" 1 1491 1 76 VAL H 1 79 ASN HD21 4.150 . 4.770 4.152 3.220 4.829 0.059 4 0 "[ . 1 . 2]" 1 1492 1 76 VAL HA 1 76 VAL MG1 3.480 . 4.000 2.488 2.429 2.544 . 0 0 "[ . 1 . 2]" 1 1493 1 76 VAL HA 1 76 VAL MG2 3.490 . 4.010 2.440 2.379 2.476 . 0 0 "[ . 1 . 2]" 1 1494 1 76 VAL HA 1 77 LEU HA 4.770 . 5.490 4.212 4.145 4.272 . 0 0 "[ . 1 . 2]" 1 1495 1 76 VAL HA 1 77 LEU MD2 4.110 . 4.730 3.553 3.173 3.916 . 0 0 "[ . 1 . 2]" 1 1496 1 76 VAL HB 1 79 ASN H 4.360 . 5.010 3.197 3.010 3.491 . 0 0 "[ . 1 . 2]" 1 1497 1 76 VAL HB 1 79 ASN QB 4.600 . 5.290 2.444 2.184 2.833 . 0 0 "[ . 1 . 2]" 1 1498 1 76 VAL HB 1 79 ASN HD21 3.920 . 4.510 2.802 1.874 3.901 . 0 0 "[ . 1 . 2]" 1 1499 1 76 VAL HB 1 79 ASN HD22 4.040 . 4.650 3.314 2.605 4.001 . 0 0 "[ . 1 . 2]" 1 1500 1 76 VAL MG1 1 77 LEU H 3.690 . 4.240 2.540 2.404 2.610 . 0 0 "[ . 1 . 2]" 1 1501 1 76 VAL MG1 1 78 LYS H 3.290 . 3.780 2.416 2.301 2.625 . 0 0 "[ . 1 . 2]" 1 1502 1 76 VAL MG1 1 78 LYS QB 4.050 . 4.660 3.653 3.516 3.808 . 0 0 "[ . 1 . 2]" 1 1503 1 76 VAL MG1 1 78 LYS HE2 4.090 . 4.700 3.156 1.942 3.916 . 0 0 "[ . 1 . 2]" 1 1504 1 76 VAL MG1 1 78 LYS QE 3.540 . 4.070 2.222 1.927 2.641 . 0 0 "[ . 1 . 2]" 1 1505 1 76 VAL MG1 1 78 LYS HE3 4.090 . 4.700 2.655 2.091 3.715 . 0 0 "[ . 1 . 2]" 1 1506 1 76 VAL MG1 1 78 LYS QG 2.910 . 3.350 1.856 1.790 1.982 0.010 9 0 "[ . 1 . 2]" 1 1507 1 76 VAL MG1 1 79 ASN H 3.340 . 3.840 2.651 2.448 3.008 . 0 0 "[ . 1 . 2]" 1 1508 1 76 VAL MG1 1 79 ASN QB 4.590 . 5.280 3.512 3.296 3.870 . 0 0 "[ . 1 . 2]" 1 1509 1 76 VAL MG1 1 79 ASN HD22 3.920 . 4.510 3.619 2.943 4.489 . 0 0 "[ . 1 . 2]" 1 1510 1 76 VAL MG1 1 80 LEU H 4.420 . 5.080 4.309 4.194 4.552 . 0 0 "[ . 1 . 2]" 1 1511 1 76 VAL MG1 1 80 LEU HB3 5.460 . 6.280 5.445 5.224 5.673 . 0 0 "[ . 1 . 2]" 1 1512 1 76 VAL MG2 1 77 LEU H 4.140 . 4.760 4.039 3.919 4.116 . 0 0 "[ . 1 . 2]" 1 1513 1 76 VAL MG2 1 79 ASN HD21 3.980 . 4.580 3.502 2.703 4.329 . 0 0 "[ . 1 . 2]" 1 1514 1 77 LEU H 1 77 LEU MD1 5.050 . 5.810 3.783 3.599 3.941 . 0 0 "[ . 1 . 2]" 1 1515 1 77 LEU H 1 77 LEU MD2 3.780 . 4.350 2.790 2.616 3.007 . 0 0 "[ . 1 . 2]" 1 1516 1 77 LEU H 1 77 LEU HG 3.960 . 4.550 2.241 2.038 2.430 . 0 0 "[ . 1 . 2]" 1 1517 1 77 LEU H 1 78 LYS H 4.280 . 4.920 2.821 2.714 2.901 . 0 0 "[ . 1 . 2]" 1 1518 1 77 LEU HA 1 77 LEU MD2 3.090 . 3.550 2.120 1.994 2.213 . 0 0 "[ . 1 . 2]" 1 1519 1 77 LEU HA 1 79 ASN H 4.340 . 4.990 4.318 4.128 4.448 . 0 0 "[ . 1 . 2]" 1 1520 1 77 LEU HA 1 80 LEU HB3 3.440 . 3.960 2.326 2.137 2.678 . 0 0 "[ . 1 . 2]" 1 1521 1 77 LEU HA 1 80 LEU MD2 3.570 . 4.110 2.811 2.582 3.352 . 0 0 "[ . 1 . 2]" 1 1522 1 77 LEU HB2 1 77 LEU MD1 3.390 . 3.900 2.476 2.393 2.555 . 0 0 "[ . 1 . 2]" 1 1523 1 77 LEU HB2 1 78 LYS H 3.510 . 4.040 2.745 2.625 2.851 . 0 0 "[ . 1 . 2]" 1 1524 1 77 LEU HB3 1 78 LYS H 4.210 . 4.840 3.812 3.597 3.911 . 0 0 "[ . 1 . 2]" 1 1525 1 77 LEU MD2 1 80 LEU H 5.330 . 6.130 4.845 4.671 5.041 . 0 0 "[ . 1 . 2]" 1 1526 1 77 LEU MD2 1 80 LEU HB3 4.780 . 5.500 3.640 3.380 4.016 . 0 0 "[ . 1 . 2]" 1 1527 1 78 LYS H 1 78 LYS HD2 5.160 . 5.930 4.769 3.839 4.921 . 0 0 "[ . 1 . 2]" 1 1528 1 78 LYS H 1 78 LYS HD3 4.840 . 5.570 4.080 3.817 4.697 . 0 0 "[ . 1 . 2]" 1 1529 1 78 LYS H 1 78 LYS QG 3.430 . 3.940 2.167 2.076 2.362 . 0 0 "[ . 1 . 2]" 1 1530 1 78 LYS H 1 79 ASN H 3.770 . 4.340 2.711 2.657 2.765 . 0 0 "[ . 1 . 2]" 1 1531 1 78 LYS H 1 81 ALA MB 5.500 . 6.330 4.561 4.457 4.687 . 0 0 "[ . 1 . 2]" 1 1532 1 78 LYS HA 1 78 LYS HD2 4.810 . 5.530 4.858 4.169 4.957 . 0 0 "[ . 1 . 2]" 1 1533 1 78 LYS HA 1 81 ALA H 4.040 . 4.650 3.559 3.349 3.908 . 0 0 "[ . 1 . 2]" 1 1534 1 78 LYS HA 1 81 ALA MB 3.200 . 3.680 2.558 2.360 2.903 . 0 0 "[ . 1 . 2]" 1 1535 1 78 LYS HA 1 82 ALA H 5.500 . 6.330 4.345 4.155 4.574 . 0 0 "[ . 1 . 2]" 1 1536 1 78 LYS QB 1 78 LYS HD2 3.560 . 4.090 2.489 2.404 2.922 . 0 0 "[ . 1 . 2]" 1 1537 1 78 LYS QB 1 79 ASN H 4.040 . 4.650 3.500 3.404 3.577 . 0 0 "[ . 1 . 2]" 1 1538 1 78 LYS HD2 1 79 ASN H 4.560 . 5.240 4.740 2.275 4.988 . 0 0 "[ . 1 . 2]" 1 1539 1 78 LYS QE 1 78 LYS QG 3.130 . 3.600 2.314 2.166 2.395 . 0 0 "[ . 1 . 2]" 1 1540 1 78 LYS QE 1 79 ASN H 4.340 . 4.990 4.337 3.595 4.680 . 0 0 "[ . 1 . 2]" 1 1541 1 78 LYS QE 1 79 ASN HD22 4.510 . 5.190 3.881 2.461 4.962 . 0 0 "[ . 1 . 2]" 1 1542 1 78 LYS QG 1 79 ASN H 3.950 . 4.540 2.282 2.101 2.668 . 0 0 "[ . 1 . 2]" 1 1543 1 79 ASN H 1 79 ASN HB2 3.770 . 4.340 2.458 2.340 2.551 . 0 0 "[ . 1 . 2]" 1 1544 1 79 ASN H 1 79 ASN HB3 3.770 . 4.340 3.614 3.588 3.638 . 0 0 "[ . 1 . 2]" 1 1545 1 79 ASN H 1 80 LEU H 3.430 . 3.940 2.567 2.462 2.666 . 0 0 "[ . 1 . 2]" 1 1546 1 79 ASN H 1 81 ALA H 4.470 . 5.140 3.884 3.805 3.969 . 0 0 "[ . 1 . 2]" 1 1547 1 79 ASN HA 1 82 ALA H 4.040 . 4.650 3.294 3.087 3.410 . 0 0 "[ . 1 . 2]" 1 1548 1 79 ASN HA 1 82 ALA MB 3.330 . 3.830 2.510 2.321 2.677 . 0 0 "[ . 1 . 2]" 1 1549 1 79 ASN QB 1 80 LEU H 4.170 . 4.800 2.379 2.223 2.482 . 0 0 "[ . 1 . 2]" 1 1550 1 79 ASN QB 1 80 LEU HA 5.080 . 5.840 4.012 3.871 4.117 . 0 0 "[ . 1 . 2]" 1 1551 1 79 ASN HB2 1 80 LEU H 4.820 . 5.540 2.426 2.259 2.532 . 0 0 "[ . 1 . 2]" 1 1552 1 79 ASN HB3 1 80 LEU H 4.820 . 5.540 3.443 3.238 3.632 . 0 0 "[ . 1 . 2]" 1 1553 1 80 LEU H 1 80 LEU HB3 3.750 . 4.310 2.490 2.376 2.579 . 0 0 "[ . 1 . 2]" 1 1554 1 80 LEU H 1 80 LEU MD1 4.330 . 4.980 4.096 4.034 4.204 . 0 0 "[ . 1 . 2]" 1 1555 1 80 LEU H 1 80 LEU MD2 4.540 . 5.220 4.238 4.182 4.289 . 0 0 "[ . 1 . 2]" 1 1556 1 80 LEU H 1 80 LEU HG 4.520 . 5.200 4.492 4.415 4.538 . 0 0 "[ . 1 . 2]" 1 1557 1 80 LEU H 1 81 ALA H 3.590 . 4.130 2.837 2.756 2.881 . 0 0 "[ . 1 . 2]" 1 1558 1 80 LEU HA 1 80 LEU MD1 3.300 . 3.800 2.218 2.156 2.358 . 0 0 "[ . 1 . 2]" 1 1559 1 80 LEU HA 1 80 LEU MD2 4.420 . 5.080 3.975 3.929 4.027 . 0 0 "[ . 1 . 2]" 1 1560 1 80 LEU HA 1 82 ALA H 4.580 . 5.270 4.270 4.208 4.367 . 0 0 "[ . 1 . 2]" 1 1561 1 80 LEU HA 1 83 ARG H 4.250 . 4.890 3.572 3.335 3.755 . 0 0 "[ . 1 . 2]" 1 1562 1 80 LEU HA 1 83 ARG HG2 5.350 . 6.150 3.216 2.652 3.674 . 0 0 "[ . 1 . 2]" 1 1563 1 80 LEU HA 1 83 ARG QG 4.470 . 5.140 2.971 2.507 3.382 . 0 0 "[ . 1 . 2]" 1 1564 1 80 LEU HA 1 83 ARG HG3 5.350 . 6.150 3.520 3.088 4.018 . 0 0 "[ . 1 . 2]" 1 1565 1 80 LEU HA 1 84 ILE MD 4.990 . 5.740 4.146 3.988 4.342 . 0 0 "[ . 1 . 2]" 1 1566 1 80 LEU HB3 1 80 LEU MD2 3.340 . 3.840 2.348 2.307 2.393 . 0 0 "[ . 1 . 2]" 1 1567 1 80 LEU HB3 1 81 ALA H 3.470 . 3.990 2.428 2.345 2.524 . 0 0 "[ . 1 . 2]" 1 1568 1 80 LEU MD1 1 81 ALA H 4.880 . 5.610 4.443 4.283 4.536 . 0 0 "[ . 1 . 2]" 1 1569 1 80 LEU MD1 1 81 ALA HA 4.620 . 5.310 4.782 4.495 5.003 . 0 0 "[ . 1 . 2]" 1 1570 1 80 LEU MD1 1 82 ALA H 5.500 . 6.330 5.518 5.396 5.691 . 0 0 "[ . 1 . 2]" 1 1571 1 80 LEU MD1 1 83 ARG H 5.290 . 6.080 4.805 4.538 5.048 . 0 0 "[ . 1 . 2]" 1 1572 1 80 LEU MD1 1 83 ARG QB 3.750 . 4.310 3.206 2.844 3.698 . 0 0 "[ . 1 . 2]" 1 1573 1 80 LEU MD1 1 84 ILE MD 3.530 . 4.060 2.402 2.135 2.610 . 0 0 "[ . 1 . 2]" 1 1574 1 80 LEU MD1 1 84 ILE QG 3.680 . 4.230 2.845 2.573 3.083 . 0 0 "[ . 1 . 2]" 1 1575 1 80 LEU HG 1 81 ALA H 4.580 . 5.270 3.654 3.410 3.845 . 0 0 "[ . 1 . 2]" 1 1576 1 80 LEU HG 1 82 ALA H 5.500 . 6.330 5.533 5.278 5.711 . 0 0 "[ . 1 . 2]" 1 1577 1 80 LEU HG 1 84 ILE MD 3.370 . 3.880 2.141 2.015 2.491 . 0 0 "[ . 1 . 2]" 1 1578 1 81 ALA H 1 81 ALA MB 2.990 . 3.440 2.256 2.235 2.284 . 0 0 "[ . 1 . 2]" 1 1579 1 81 ALA H 1 82 ALA H 3.430 . 3.940 2.615 2.516 2.683 . 0 0 "[ . 1 . 2]" 1 1580 1 81 ALA H 1 82 ALA MB 4.460 . 5.130 4.324 4.254 4.384 . 0 0 "[ . 1 . 2]" 1 1581 1 81 ALA H 1 84 ILE MD 5.340 . 6.140 4.191 3.857 4.637 . 0 0 "[ . 1 . 2]" 1 1582 1 81 ALA HA 1 82 ALA HA 5.060 . 5.820 4.807 4.779 4.831 . 0 0 "[ . 1 . 2]" 1 1583 1 81 ALA HA 1 84 ILE H 4.320 . 4.970 3.531 3.205 3.731 . 0 0 "[ . 1 . 2]" 1 1584 1 81 ALA HA 1 84 ILE HB 3.730 . 4.290 2.573 2.248 2.810 . 0 0 "[ . 1 . 2]" 1 1585 1 81 ALA HA 1 84 ILE MD 3.530 . 4.060 2.750 2.296 3.243 . 0 0 "[ . 1 . 2]" 1 1586 1 81 ALA HA 1 84 ILE MG 4.300 . 4.950 3.870 3.648 4.083 . 0 0 "[ . 1 . 2]" 1 1587 1 81 ALA HA 1 85 ASP H 4.440 . 5.110 3.767 3.610 3.934 . 0 0 "[ . 1 . 2]" 1 1588 1 81 ALA MB 1 82 ALA H 3.320 . 3.820 2.795 2.671 2.912 . 0 0 "[ . 1 . 2]" 1 1589 1 81 ALA MB 1 84 ILE H 5.260 . 6.050 4.729 4.517 4.857 . 0 0 "[ . 1 . 2]" 1 1590 1 81 ALA MB 1 84 ILE MD 3.920 . 4.510 3.914 3.486 4.367 . 0 0 "[ . 1 . 2]" 1 1591 1 81 ALA MB 1 84 ILE MG 5.060 . 5.820 4.666 4.362 4.938 . 0 0 "[ . 1 . 2]" 1 1592 1 81 ALA MB 1 85 ASP H 4.680 . 5.380 4.402 4.258 4.531 . 0 0 "[ . 1 . 2]" 1 1593 1 82 ALA H 1 82 ALA MB 2.890 . 3.320 2.269 2.241 2.287 . 0 0 "[ . 1 . 2]" 1 1594 1 82 ALA H 1 83 ARG H 3.660 . 4.210 2.579 2.526 2.646 . 0 0 "[ . 1 . 2]" 1 1595 1 82 ALA H 1 84 ILE H 4.210 . 4.840 3.986 3.815 4.132 . 0 0 "[ . 1 . 2]" 1 1596 1 82 ALA HA 1 84 ILE H 4.470 . 5.140 4.457 4.282 4.602 . 0 0 "[ . 1 . 2]" 1 1597 1 82 ALA HA 1 85 ASP H 3.870 . 4.450 3.496 3.312 3.682 . 0 0 "[ . 1 . 2]" 1 1598 1 82 ALA HA 1 85 ASP HB2 4.310 . 4.960 3.104 2.821 3.458 . 0 0 "[ . 1 . 2]" 1 1599 1 82 ALA HA 1 85 ASP QB 3.560 . 4.090 2.353 2.078 2.609 . 0 0 "[ . 1 . 2]" 1 1600 1 82 ALA HA 1 85 ASP HB3 4.310 . 4.960 2.439 2.132 2.701 . 0 0 "[ . 1 . 2]" 1 1601 1 82 ALA MB 1 83 ARG H 3.440 . 3.960 2.516 2.416 2.613 . 0 0 "[ . 1 . 2]" 1 1602 1 82 ALA MB 1 84 ILE H 4.610 . 5.300 4.547 4.399 4.628 . 0 0 "[ . 1 . 2]" 1 1603 1 82 ALA MB 1 85 ASP H 5.320 . 6.120 4.685 4.580 4.803 . 0 0 "[ . 1 . 2]" 1 1604 1 82 ALA MB 1 86 GLU H 5.100 . 5.870 4.730 4.613 4.823 . 0 0 "[ . 1 . 2]" 1 1605 1 83 ARG H 1 83 ARG QB 3.640 . 4.190 2.495 2.398 2.594 . 0 0 "[ . 1 . 2]" 1 1606 1 83 ARG H 1 83 ARG HG2 3.940 . 4.530 2.284 2.155 2.450 . 0 0 "[ . 1 . 2]" 1 1607 1 83 ARG H 1 83 ARG QG 3.440 . 3.960 2.264 2.140 2.423 . 0 0 "[ . 1 . 2]" 1 1608 1 83 ARG H 1 83 ARG HG3 3.940 . 4.530 3.728 3.656 3.856 . 0 0 "[ . 1 . 2]" 1 1609 1 83 ARG H 1 84 ILE H 3.780 . 4.350 2.705 2.606 2.815 . 0 0 "[ . 1 . 2]" 1 1610 1 83 ARG H 1 85 ASP H 4.540 . 5.220 4.212 4.055 4.299 . 0 0 "[ . 1 . 2]" 1 1611 1 83 ARG HA 1 83 ARG HD2 4.590 . 5.280 2.242 2.168 2.414 . 0 0 "[ . 1 . 2]" 1 1612 1 83 ARG HA 1 83 ARG HE 3.960 . 4.550 3.452 2.594 4.101 . 0 0 "[ . 1 . 2]" 1 1613 1 83 ARG HA 1 86 GLU H 4.120 . 4.740 3.490 3.218 3.659 . 0 0 "[ . 1 . 2]" 1 1614 1 83 ARG HA 1 86 GLU HB2 4.420 . 5.080 3.213 2.676 3.632 . 0 0 "[ . 1 . 2]" 1 1615 1 83 ARG HA 1 86 GLU HB3 4.510 . 5.190 2.982 2.545 4.463 . 0 0 "[ . 1 . 2]" 1 1616 1 83 ARG QB 1 83 ARG HD2 3.660 . 4.210 3.081 2.992 3.174 . 0 0 "[ . 1 . 2]" 1 1617 1 83 ARG QB 1 83 ARG HE 4.670 . 5.370 2.391 1.935 2.849 . 0 0 "[ . 1 . 2]" 1 1618 1 83 ARG QB 1 84 ILE H 3.860 . 4.440 2.515 2.346 2.798 . 0 0 "[ . 1 . 2]" 1 1619 1 83 ARG QB 1 84 ILE HA 4.630 . 5.320 3.935 3.801 4.083 . 0 0 "[ . 1 . 2]" 1 1620 1 83 ARG HB2 1 84 ILE H 4.420 . 5.080 2.568 2.387 2.884 . 0 0 "[ . 1 . 2]" 1 1621 1 83 ARG HB3 1 84 ILE H 4.420 . 5.080 3.608 3.368 3.819 . 0 0 "[ . 1 . 2]" 1 1622 1 84 ILE H 1 84 ILE HB 3.290 . 3.780 2.416 2.316 2.470 . 0 0 "[ . 1 . 2]" 1 1623 1 84 ILE H 1 84 ILE MD 3.640 . 4.190 3.535 3.372 3.674 . 0 0 "[ . 1 . 2]" 1 1624 1 84 ILE H 1 84 ILE HG12 4.240 . 4.880 3.635 3.532 3.722 . 0 0 "[ . 1 . 2]" 1 1625 1 84 ILE H 1 84 ILE QG 3.380 . 3.890 2.284 2.178 2.376 . 0 0 "[ . 1 . 2]" 1 1626 1 84 ILE H 1 84 ILE HG13 4.240 . 4.880 2.309 2.198 2.403 . 0 0 "[ . 1 . 2]" 1 1627 1 84 ILE H 1 84 ILE MG 4.120 . 4.740 3.791 3.734 3.815 . 0 0 "[ . 1 . 2]" 1 1628 1 84 ILE H 1 85 ASP HA 5.470 . 6.290 5.236 5.166 5.315 . 0 0 "[ . 1 . 2]" 1 1629 1 84 ILE H 1 87 LEU MD1 4.690 . 5.390 4.343 4.025 4.865 . 0 0 "[ . 1 . 2]" 1 1630 1 84 ILE H 1 88 VAL QG 5.500 . 6.330 5.195 5.093 5.290 . 0 0 "[ . 1 . 2]" 1 1631 1 84 ILE HA 1 84 ILE MD 4.010 . 4.610 3.869 3.839 3.894 . 0 0 "[ . 1 . 2]" 1 1632 1 84 ILE HA 1 84 ILE QG 3.360 . 3.860 2.409 2.366 2.455 . 0 0 "[ . 1 . 2]" 1 1633 1 84 ILE HA 1 84 ILE MG 3.490 . 4.010 2.575 2.535 2.603 . 0 0 "[ . 1 . 2]" 1 1634 1 84 ILE HA 1 87 LEU H 4.280 . 4.920 3.131 3.028 3.277 . 0 0 "[ . 1 . 2]" 1 1635 1 84 ILE HA 1 87 LEU HA 5.330 . 6.130 5.129 4.973 5.345 . 0 0 "[ . 1 . 2]" 1 1636 1 84 ILE HA 1 87 LEU HB2 4.490 . 5.160 2.594 2.305 2.922 . 0 0 "[ . 1 . 2]" 1 1637 1 84 ILE HA 1 87 LEU HB3 4.490 . 5.160 4.164 3.901 4.481 . 0 0 "[ . 1 . 2]" 1 1638 1 84 ILE HA 1 87 LEU MD1 3.660 . 4.210 2.238 1.952 2.706 . 0 0 "[ . 1 . 2]" 1 1639 1 84 ILE HA 1 87 LEU MD2 4.760 . 5.470 4.360 4.000 4.637 . 0 0 "[ . 1 . 2]" 1 1640 1 84 ILE HA 1 88 VAL H 4.710 . 5.420 4.113 3.954 4.223 . 0 0 "[ . 1 . 2]" 1 1641 1 84 ILE HA 1 88 VAL QG 4.310 . 4.960 3.807 3.626 3.928 . 0 0 "[ . 1 . 2]" 1 1642 1 84 ILE HB 1 84 ILE MD 3.350 . 3.850 2.431 2.390 2.490 . 0 0 "[ . 1 . 2]" 1 1643 1 84 ILE HB 1 85 ASP H 3.590 . 4.130 2.609 2.503 2.734 . 0 0 "[ . 1 . 2]" 1 1644 1 84 ILE HB 1 88 VAL QG 5.500 . 6.330 4.289 4.141 4.430 . 0 0 "[ . 1 . 2]" 1 1645 1 84 ILE MD 1 85 ASP H 5.190 . 5.970 4.593 4.442 4.718 . 0 0 "[ . 1 . 2]" 1 1646 1 84 ILE MD 1 88 VAL QG 4.560 . 5.240 4.757 4.525 4.883 . 0 0 "[ . 1 . 2]" 1 1647 1 84 ILE QG 1 85 ASP H 4.650 . 5.350 4.132 4.057 4.212 . 0 0 "[ . 1 . 2]" 1 1648 1 84 ILE QG 1 87 LEU MD1 4.090 . 4.700 2.832 2.514 3.319 . 0 0 "[ . 1 . 2]" 1 1649 1 84 ILE MG 1 85 ASP H 3.520 . 4.050 3.304 3.159 3.416 . 0 0 "[ . 1 . 2]" 1 1650 1 84 ILE MG 1 85 ASP HA 4.090 . 4.700 3.658 3.543 3.793 . 0 0 "[ . 1 . 2]" 1 1651 1 84 ILE MG 1 87 LEU QB 4.610 . 5.300 3.381 3.197 3.631 . 0 0 "[ . 1 . 2]" 1 1652 1 84 ILE MG 1 88 VAL H 4.590 . 5.280 3.923 3.816 4.040 . 0 0 "[ . 1 . 2]" 1 1653 1 84 ILE MG 1 88 VAL HB 4.460 . 5.130 4.977 4.704 5.143 0.013 10 0 "[ . 1 . 2]" 1 1654 1 84 ILE MG 1 88 VAL QG . . 3.660 2.408 2.231 2.562 . 0 0 "[ . 1 . 2]" 1 1655 1 85 ASP H 1 85 ASP HB2 3.630 . 4.170 2.455 2.373 2.578 . 0 0 "[ . 1 . 2]" 1 1656 1 85 ASP H 1 85 ASP QB 3.160 . 3.630 2.254 2.225 2.290 . 0 0 "[ . 1 . 2]" 1 1657 1 85 ASP H 1 85 ASP HB3 3.630 . 4.170 2.631 2.448 2.706 . 0 0 "[ . 1 . 2]" 1 1658 1 85 ASP H 1 86 GLU H 3.510 . 4.040 2.873 2.804 2.950 . 0 0 "[ . 1 . 2]" 1 1659 1 85 ASP HA 1 87 LEU H 4.830 . 5.550 4.501 4.341 4.628 . 0 0 "[ . 1 . 2]" 1 1660 1 85 ASP HA 1 88 VAL H 4.070 . 4.680 3.515 3.324 3.713 . 0 0 "[ . 1 . 2]" 1 1661 1 85 ASP HA 1 88 VAL HB 4.890 . 5.620 4.820 4.719 4.988 . 0 0 "[ . 1 . 2]" 1 1662 1 85 ASP HA 1 88 VAL QG 3.940 . 4.400 1.857 1.767 1.996 0.033 15 0 "[ . 1 . 2]" 1 1663 1 85 ASP HA 1 89 ALA H 4.370 . 5.030 4.001 3.829 4.176 . 0 0 "[ . 1 . 2]" 1 1664 1 85 ASP QB 1 86 GLU H 3.690 . 4.240 2.672 2.585 2.827 . 0 0 "[ . 1 . 2]" 1 1665 1 85 ASP HB2 1 86 GLU H 4.450 . 5.120 3.947 3.879 4.055 . 0 0 "[ . 1 . 2]" 1 1666 1 85 ASP HB3 1 86 GLU H 4.450 . 5.120 2.717 2.625 2.885 . 0 0 "[ . 1 . 2]" 1 1667 1 86 GLU H 1 86 GLU HB2 3.230 . 3.710 2.478 2.246 2.642 . 0 0 "[ . 1 . 2]" 1 1668 1 86 GLU H 1 86 GLU HB3 3.530 . 4.060 2.581 2.429 3.593 . 0 0 "[ . 1 . 2]" 1 1669 1 86 GLU H 1 86 GLU HG2 4.970 . 5.720 4.492 4.199 4.594 . 0 0 "[ . 1 . 2]" 1 1670 1 86 GLU H 1 86 GLU HG3 4.970 . 5.720 4.455 3.958 4.578 . 0 0 "[ . 1 . 2]" 1 1671 1 86 GLU H 1 88 VAL QG 4.810 . 5.530 4.107 4.050 4.187 . 0 0 "[ . 1 . 2]" 1 1672 1 86 GLU H 1 89 ALA MB 4.840 . 5.570 4.559 4.389 4.755 . 0 0 "[ . 1 . 2]" 1 1673 1 86 GLU HA 1 86 GLU HG2 3.960 . 4.550 3.345 2.508 3.902 . 0 0 "[ . 1 . 2]" 1 1674 1 86 GLU HA 1 86 GLU QG 3.460 . 3.980 2.660 2.390 3.058 . 0 0 "[ . 1 . 2]" 1 1675 1 86 GLU HA 1 86 GLU HG3 3.960 . 4.550 2.890 2.422 3.749 . 0 0 "[ . 1 . 2]" 1 1676 1 86 GLU HA 1 89 ALA H 4.220 . 4.850 3.680 3.323 3.970 . 0 0 "[ . 1 . 2]" 1 1677 1 86 GLU HA 1 89 ALA MB 3.190 . 3.670 2.618 2.266 3.021 . 0 0 "[ . 1 . 2]" 1 1678 1 86 GLU HA 1 90 ALA H 4.270 . 4.910 4.138 3.929 4.734 . 0 0 "[ . 1 . 2]" 1 1679 1 86 GLU HB2 1 87 LEU H 3.940 . 4.530 3.779 2.824 3.978 . 0 0 "[ . 1 . 2]" 1 1680 1 86 GLU HB3 1 87 LEU H 3.700 . 4.260 2.579 2.382 3.355 . 0 0 "[ . 1 . 2]" 1 1681 1 86 GLU HB3 1 89 ALA MB 5.500 . 6.330 5.046 4.419 5.440 . 0 0 "[ . 1 . 2]" 1 1682 1 86 GLU HB3 1 90 ALA MB 5.500 . 6.330 5.187 4.308 6.031 . 0 0 "[ . 1 . 2]" 1 1683 1 86 GLU QG 1 87 LEU H 4.660 . 5.360 3.741 3.399 4.575 . 0 0 "[ . 1 . 2]" 1 1684 1 86 GLU QG 1 89 ALA MB 4.960 . 5.700 4.028 3.314 4.710 . 0 0 "[ . 1 . 2]" 1 1685 1 86 GLU HG2 1 87 LEU H 5.500 . 6.330 4.226 3.621 5.186 . 0 0 "[ . 1 . 2]" 1 1686 1 86 GLU HG3 1 87 LEU H 5.500 . 6.330 4.445 3.535 5.088 . 0 0 "[ . 1 . 2]" 1 1687 1 87 LEU H 1 87 LEU HB2 4.090 . 4.700 2.536 2.416 2.693 . 0 0 "[ . 1 . 2]" 1 1688 1 87 LEU H 1 87 LEU QB 3.580 . 4.120 2.489 2.381 2.627 . 0 0 "[ . 1 . 2]" 1 1689 1 87 LEU H 1 87 LEU HB3 4.090 . 4.700 3.617 3.588 3.653 . 0 0 "[ . 1 . 2]" 1 1690 1 87 LEU H 1 87 LEU MD1 4.040 . 4.650 3.625 3.449 3.723 . 0 0 "[ . 1 . 2]" 1 1691 1 87 LEU H 1 87 LEU MD2 3.670 . 4.220 3.281 2.971 3.606 . 0 0 "[ . 1 . 2]" 1 1692 1 87 LEU H 1 87 LEU HG 3.830 . 4.400 2.257 2.110 2.408 . 0 0 "[ . 1 . 2]" 1 1693 1 87 LEU H 1 88 VAL H 3.460 . 3.980 2.789 2.731 2.851 . 0 0 "[ . 1 . 2]" 1 1694 1 87 LEU H 1 88 VAL QG 5.110 . 5.880 3.791 3.725 3.854 . 0 0 "[ . 1 . 2]" 1 1695 1 87 LEU H 1 89 ALA MB 5.340 . 6.140 4.689 4.526 4.936 . 0 0 "[ . 1 . 2]" 1 1696 1 87 LEU H 1 90 ALA MB 5.500 . 6.330 4.582 4.350 5.073 . 0 0 "[ . 1 . 2]" 1 1697 1 87 LEU HA 1 87 LEU MD1 4.100 . 4.720 3.941 3.911 3.969 . 0 0 "[ . 1 . 2]" 1 1698 1 87 LEU HA 1 87 LEU MD2 2.900 . 3.340 2.114 2.048 2.202 . 0 0 "[ . 1 . 2]" 1 1699 1 87 LEU HA 1 88 VAL HA 4.870 . 5.600 4.778 4.738 4.804 . 0 0 "[ . 1 . 2]" 1 1700 1 87 LEU HA 1 90 ALA H 4.330 . 4.980 3.476 3.305 3.825 . 0 0 "[ . 1 . 2]" 1 1701 1 87 LEU HA 1 90 ALA MB 2.720 . 3.130 2.580 2.347 3.027 . 0 0 "[ . 1 . 2]" 1 1702 1 87 LEU QB 1 88 VAL H 3.910 . 4.500 2.644 2.537 2.740 . 0 0 "[ . 1 . 2]" 1 1703 1 87 LEU QB 1 88 VAL QG 4.700 . 5.400 3.041 2.913 3.155 . 0 0 "[ . 1 . 2]" 1 1704 1 87 LEU HB2 1 87 LEU MD2 3.240 . 3.730 3.259 3.240 3.272 . 0 0 "[ . 1 . 2]" 1 1705 1 87 LEU HB2 1 88 VAL H 4.630 . 5.320 2.706 2.587 2.809 . 0 0 "[ . 1 . 2]" 1 1706 1 87 LEU HB3 1 87 LEU MD2 3.240 . 3.730 2.457 2.372 2.562 . 0 0 "[ . 1 . 2]" 1 1707 1 87 LEU HB3 1 88 VAL H 4.630 . 5.320 3.724 3.558 3.869 . 0 0 "[ . 1 . 2]" 1 1708 1 87 LEU MD2 1 88 VAL H 4.780 . 5.500 4.766 4.677 4.821 . 0 0 "[ . 1 . 2]" 1 1709 1 87 LEU MD2 1 90 ALA H 5.190 . 5.970 5.028 4.848 5.372 . 0 0 "[ . 1 . 2]" 1 1710 1 87 LEU MD2 1 90 ALA MB 3.590 . 4.130 3.505 3.240 3.947 . 0 0 "[ . 1 . 2]" 1 1711 1 88 VAL H 1 88 VAL HB 3.650 . 4.200 3.718 3.703 3.735 . 0 0 "[ . 1 . 2]" 1 1712 1 88 VAL H 1 88 VAL QG 3.630 . 3.650 2.030 1.997 2.057 . 0 0 "[ . 1 . 2]" 1 1713 1 88 VAL H 1 89 ALA H 3.340 . 3.840 2.483 2.402 2.534 . 0 0 "[ . 1 . 2]" 1 1714 1 88 VAL H 1 89 ALA MB 4.420 . 5.080 4.200 4.134 4.264 . 0 0 "[ . 1 . 2]" 1 1715 1 88 VAL H 1 90 ALA H 4.600 . 5.290 4.006 3.879 4.181 . 0 0 "[ . 1 . 2]" 1 1716 1 88 VAL H 1 90 ALA MB 5.250 . 6.040 4.624 4.460 4.927 . 0 0 "[ . 1 . 2]" 1 1717 1 88 VAL HA 1 89 ALA HA 5.500 . 6.330 4.812 4.749 4.861 . 0 0 "[ . 1 . 2]" 1 1718 1 88 VAL HA 1 91 LYS H 4.140 . 4.760 3.495 3.259 3.795 . 0 0 "[ . 1 . 2]" 1 1719 1 88 VAL HA 1 91 LYS HB3 4.750 . 5.460 4.107 3.542 4.564 . 0 0 "[ . 1 . 2]" 1 1720 1 88 VAL HA 1 91 LYS QD 4.170 . 4.800 3.275 2.790 4.382 . 0 0 "[ . 1 . 2]" 1 1721 1 88 VAL HA 1 91 LYS HE2 4.780 . 5.500 3.413 2.082 4.959 . 0 0 "[ . 1 . 2]" 1 1722 1 88 VAL HA 1 91 LYS QE 4.100 . 4.720 2.320 1.926 3.713 . 0 0 "[ . 1 . 2]" 1 1723 1 88 VAL HA 1 91 LYS HE3 4.780 . 5.500 2.773 1.933 3.991 . 0 0 "[ . 1 . 2]" 1 1724 1 88 VAL HA 1 91 LYS QG 4.290 . 4.930 2.307 1.969 3.358 . 0 0 "[ . 1 . 2]" 1 1725 1 88 VAL HB 1 89 ALA H 3.710 . 4.270 4.035 3.945 4.145 . 0 0 "[ . 1 . 2]" 1 1726 1 88 VAL HB 1 89 ALA HA 4.750 . 5.460 4.854 4.675 4.925 . 0 0 "[ . 1 . 2]" 1 1727 1 88 VAL HB 1 90 ALA H 5.500 . 6.330 5.846 5.510 6.015 . 0 0 "[ . 1 . 2]" 1 1728 1 88 VAL QG 1 89 ALA H 3.950 . 4.160 2.405 2.310 2.566 . 0 0 "[ . 1 . 2]" 1 1729 1 88 VAL QG 1 89 ALA HA 3.820 . 4.390 3.400 3.183 3.513 . 0 0 "[ . 1 . 2]" 1 1730 1 88 VAL QG 1 89 ALA MB 3.580 . 4.120 3.172 2.960 3.384 . 0 0 "[ . 1 . 2]" 1 1731 1 88 VAL QG 1 91 LYS HE2 5.080 . 5.840 3.394 2.378 4.707 . 0 0 "[ . 1 . 2]" 1 1732 1 88 VAL QG 1 91 LYS QE 4.280 . 4.920 2.714 2.154 3.758 . 0 0 "[ . 1 . 2]" 1 1733 1 88 VAL QG 1 91 LYS HE3 5.080 . 5.840 3.114 2.188 4.280 . 0 0 "[ . 1 . 2]" 1 1734 1 89 ALA H 1 89 ALA MB 2.770 . 3.190 2.269 2.238 2.295 . 0 0 "[ . 1 . 2]" 1 1735 1 89 ALA H 1 90 ALA H 3.340 . 3.840 2.571 2.474 2.625 . 0 0 "[ . 1 . 2]" 1 1736 1 89 ALA H 1 91 LYS H 4.820 . 5.540 4.363 4.087 4.762 . 0 0 "[ . 1 . 2]" 1 1737 1 89 ALA HA 1 91 LYS H 4.790 . 5.510 4.577 4.463 4.727 . 0 0 "[ . 1 . 2]" 1 1738 1 89 ALA HA 1 91 LYS QE 5.340 . 6.140 5.736 5.209 6.228 0.088 10 0 "[ . 1 . 2]" 1 1739 1 89 ALA HA 1 92 GLY H 3.680 . 4.230 3.539 3.149 4.011 . 0 0 "[ . 1 . 2]" 1 1740 1 90 ALA H 1 90 ALA MB 2.760 . 3.170 2.232 2.217 2.273 . 0 0 "[ . 1 . 2]" 1 1741 1 90 ALA H 1 91 LYS H 3.330 . 3.830 2.980 2.778 3.113 . 0 0 "[ . 1 . 2]" 1 1742 1 90 ALA MB 1 91 LYS H 3.270 . 3.760 2.507 2.388 2.727 . 0 0 "[ . 1 . 2]" 1 1743 1 90 ALA MB 1 91 LYS HB3 4.290 . 4.930 4.065 3.896 4.289 . 0 0 "[ . 1 . 2]" 1 1744 1 91 LYS H 1 91 LYS HB2 3.770 . 4.340 3.665 3.628 3.695 . 0 0 "[ . 1 . 2]" 1 1745 1 91 LYS H 1 91 LYS HB3 3.050 . 3.510 2.618 2.387 2.732 . 0 0 "[ . 1 . 2]" 1 1746 1 91 LYS H 1 91 LYS HG2 3.810 . 4.380 2.329 2.093 2.961 . 0 0 "[ . 1 . 2]" 1 1747 1 91 LYS H 1 91 LYS QG 3.310 . 3.810 2.290 2.070 2.873 . 0 0 "[ . 1 . 2]" 1 1748 1 91 LYS H 1 91 LYS HG3 3.810 . 4.380 3.405 3.023 3.878 . 0 0 "[ . 1 . 2]" 1 1749 1 91 LYS H 1 92 GLY H 3.420 . 3.930 2.633 2.512 2.788 . 0 0 "[ . 1 . 2]" 1 1750 1 91 LYS H 1 92 GLY HA2 5.500 . 6.330 5.292 5.186 5.428 . 0 0 "[ . 1 . 2]" 1 1751 1 91 LYS H 1 92 GLY HA3 5.500 . 6.330 4.885 4.731 5.088 . 0 0 "[ . 1 . 2]" 1 1752 1 91 LYS H 1 93 ALA H 4.400 . 5.060 3.919 3.680 4.341 . 0 0 "[ . 1 . 2]" 1 1753 1 91 LYS HA 1 91 LYS HG2 3.920 . 4.510 3.849 3.795 3.992 . 0 0 "[ . 1 . 2]" 1 1754 1 91 LYS HA 1 91 LYS HG3 3.920 . 4.510 3.781 3.646 3.867 . 0 0 "[ . 1 . 2]" 1 1755 1 91 LYS HA 1 92 GLY HA2 4.910 . 5.650 4.852 4.810 4.930 . 0 0 "[ . 1 . 2]" 1 1756 1 91 LYS HA 1 93 ALA H 4.840 . 5.570 4.001 3.721 4.532 . 0 0 "[ . 1 . 2]" 1 1757 1 91 LYS HB2 1 91 LYS QD 3.720 . 4.280 2.424 2.319 2.505 . 0 0 "[ . 1 . 2]" 1 1758 1 91 LYS HB2 1 91 LYS HE2 5.500 . 6.330 4.657 2.948 4.876 . 0 0 "[ . 1 . 2]" 1 1759 1 91 LYS HB2 1 91 LYS QE 4.820 . 5.540 4.100 2.882 4.283 . 0 0 "[ . 1 . 2]" 1 1760 1 91 LYS HB2 1 91 LYS HE3 5.500 . 6.330 4.593 4.062 4.749 . 0 0 "[ . 1 . 2]" 1 1761 1 91 LYS HB2 1 92 GLY H 4.270 . 4.910 3.896 3.788 4.092 . 0 0 "[ . 1 . 2]" 1 1762 1 91 LYS HB2 1 93 ALA H 5.500 . 6.330 5.517 5.292 5.947 . 0 0 "[ . 1 . 2]" 1 1763 1 91 LYS HB3 1 91 LYS HE2 5.140 . 5.910 4.484 2.139 4.977 . 0 0 "[ . 1 . 2]" 1 1764 1 91 LYS HB3 1 91 LYS QE 4.430 . 5.090 3.903 2.102 4.228 . 0 0 "[ . 1 . 2]" 1 1765 1 91 LYS HB3 1 91 LYS HE3 5.140 . 5.910 4.387 3.090 4.800 . 0 0 "[ . 1 . 2]" 1 1766 1 91 LYS HB3 1 92 GLY H 4.290 . 4.930 3.989 3.712 4.092 . 0 0 "[ . 1 . 2]" 1 1767 1 91 LYS QE 1 91 LYS QG 3.150 . 3.620 2.352 2.173 2.423 . 0 0 "[ . 1 . 2]" 1 1768 1 91 LYS QG 1 92 GLY H 3.640 . 4.190 2.264 2.049 2.404 . 0 0 "[ . 1 . 2]" 1 1769 1 91 LYS QG 1 92 GLY HA3 5.340 . 6.140 3.689 3.486 3.904 . 0 0 "[ . 1 . 2]" 1 1770 1 91 LYS HG2 1 92 GLY H 4.290 . 4.930 2.721 2.391 2.888 . 0 0 "[ . 1 . 2]" 1 1771 1 91 LYS HG3 1 92 GLY H 4.290 . 4.930 2.450 2.096 2.803 . 0 0 "[ . 1 . 2]" 1 1772 1 92 GLY H 1 93 ALA H 3.220 . 3.700 2.646 2.542 2.738 . 0 0 "[ . 1 . 2]" 1 1773 1 92 GLY HA2 1 93 ALA HA 5.390 . 6.200 4.812 4.718 4.924 . 0 0 "[ . 1 . 2]" 1 1774 1 92 GLY HA2 1 95 GLU QB 4.550 . 5.230 3.177 1.778 5.278 0.048 4 0 "[ . 1 . 2]" 1 1775 1 92 GLY HA3 1 93 ALA H 3.260 . 3.750 2.998 2.734 3.147 . 0 0 "[ . 1 . 2]" 1 1776 1 92 GLY HA3 1 93 ALA HA 4.870 . 5.600 4.460 4.384 4.537 . 0 0 "[ . 1 . 2]" 1 1777 1 92 GLY HA3 1 93 ALA MB 4.770 . 5.490 4.511 4.390 4.692 . 0 0 "[ . 1 . 2]" 1 1778 1 93 ALA H 1 93 ALA MB 2.790 . 3.210 2.280 2.241 2.324 . 0 0 "[ . 1 . 2]" 1 1779 1 93 ALA H 1 94 LEU H 2.850 . 3.280 2.481 2.325 2.817 . 0 0 "[ . 1 . 2]" 1 1780 1 93 ALA H 1 94 LEU HG 4.380 . 5.040 4.141 3.835 4.736 . 0 0 "[ . 1 . 2]" 1 1781 1 93 ALA HA 1 95 GLU H 4.800 . 5.520 4.209 3.503 4.999 . 0 0 "[ . 1 . 2]" 1 1782 1 93 ALA HA 1 95 GLU QB 5.250 . 6.040 4.877 3.770 6.006 . 0 0 "[ . 1 . 2]" 1 1783 1 93 ALA MB 1 94 LEU H 3.400 . 3.910 2.660 2.421 2.862 . 0 0 "[ . 1 . 2]" 1 1784 1 93 ALA MB 1 95 GLU H 4.740 . 5.450 4.520 4.313 5.040 . 0 0 "[ . 1 . 2]" 1 1785 1 94 LEU H 1 94 LEU HB2 3.870 . 4.450 2.562 2.436 2.694 . 0 0 "[ . 1 . 2]" 1 1786 1 94 LEU H 1 94 LEU HB3 3.870 . 4.450 3.622 3.601 3.668 . 0 0 "[ . 1 . 2]" 1 1787 1 94 LEU H 1 94 LEU MD1 4.370 . 5.030 3.686 3.537 3.877 . 0 0 "[ . 1 . 2]" 1 1788 1 94 LEU H 1 94 LEU MD2 4.360 . 5.010 3.214 2.912 3.555 . 0 0 "[ . 1 . 2]" 1 1789 1 94 LEU H 1 94 LEU HG 2.950 . 3.390 2.279 2.009 2.620 . 0 0 "[ . 1 . 2]" 1 1790 1 94 LEU H 1 95 GLU H 3.350 . 3.850 2.677 2.211 3.088 . 0 0 "[ . 1 . 2]" 1 1791 1 94 LEU HA 1 94 LEU MD2 3.210 . 3.690 2.119 2.044 2.253 . 0 0 "[ . 1 . 2]" 1 1792 1 94 LEU QB 1 95 GLU H 3.630 . 4.170 2.717 2.023 3.397 . 0 0 "[ . 1 . 2]" 1 1793 1 94 LEU HB2 1 95 GLU H 4.340 . 4.990 2.787 2.046 3.554 . 0 0 "[ . 1 . 2]" 1 1794 1 94 LEU HB3 1 95 GLU H 4.340 . 4.990 3.804 3.190 4.317 . 0 0 "[ . 1 . 2]" 1 1795 1 94 LEU MD1 1 95 GLU H 4.850 . 5.580 4.690 4.082 5.293 . 0 0 "[ . 1 . 2]" 1 1796 1 94 LEU MD2 1 95 GLU H 4.710 . 5.420 4.689 4.508 4.834 . 0 0 "[ . 1 . 2]" 1 1797 1 94 LEU HG 1 95 GLU H 4.950 . 5.690 4.383 4.072 4.760 . 0 0 "[ . 1 . 2]" 1 1798 1 95 GLU H 1 95 GLU QB 2.950 . 3.390 2.453 2.151 3.058 . 0 0 "[ . 1 . 2]" 1 stop_ 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