NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
460043 | 1ufn | 10065 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ufn 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 2198 _Distance_constraint_stats_list.Viol_count 1518 _Distance_constraint_stats_list.Viol_total 405.566 _Distance_constraint_stats_list.Viol_max 0.224 _Distance_constraint_stats_list.Viol_rms 0.0045 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0005 _Distance_constraint_stats_list.Viol_average_violations_only 0.0134 _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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ASP 0.092 0.026 9 0 "[ . 1 . 2]" 1 10 ALA 0.124 0.026 9 0 "[ . 1 . 2]" 1 11 VAL 0.041 0.011 19 0 "[ . 1 . 2]" 1 12 ASP 0.012 0.012 11 0 "[ . 1 . 2]" 1 13 PHE 0.481 0.125 14 0 "[ . 1 . 2]" 1 14 SER 0.244 0.125 14 0 "[ . 1 . 2]" 1 15 PRO 0.018 0.012 9 0 "[ . 1 . 2]" 1 16 THR 0.099 0.016 6 0 "[ . 1 . 2]" 1 17 LEU 0.687 0.031 19 0 "[ . 1 . 2]" 1 18 PRO 0.105 0.014 6 0 "[ . 1 . 2]" 1 19 VAL 0.243 0.031 9 0 "[ . 1 . 2]" 1 20 THR 0.346 0.084 2 0 "[ . 1 . 2]" 1 21 CYS 0.178 0.029 11 0 "[ . 1 . 2]" 1 22 GLY 0.066 0.020 17 0 "[ . 1 . 2]" 1 23 LYS 0.080 0.020 17 0 "[ . 1 . 2]" 1 24 ALA 0.171 0.011 8 0 "[ . 1 . 2]" 1 25 LYS 0.312 0.084 2 0 "[ . 1 . 2]" 1 26 GLY 0.023 0.021 2 0 "[ . 1 . 2]" 1 27 THR 0.015 0.006 4 0 "[ . 1 . 2]" 1 28 LEU 1.235 0.042 10 0 "[ . 1 . 2]" 1 29 PHE 0.276 0.020 19 0 "[ . 1 . 2]" 1 30 GLN 2.295 0.085 14 0 "[ . 1 . 2]" 1 31 GLU 0.434 0.067 11 0 "[ . 1 . 2]" 1 32 LYS 2.756 0.146 13 0 "[ . 1 . 2]" 1 33 LEU 2.449 0.146 13 0 "[ . 1 . 2]" 1 34 LYS 1.050 0.124 17 0 "[ . 1 . 2]" 1 35 GLN 2.086 0.224 19 0 "[ . 1 . 2]" 1 36 GLY 0.235 0.083 15 0 "[ . 1 . 2]" 1 37 ALA 0.264 0.044 6 0 "[ . 1 . 2]" 1 38 SER 0.022 0.019 5 0 "[ . 1 . 2]" 1 39 LYS 0.305 0.056 15 0 "[ . 1 . 2]" 1 40 LYS 0.579 0.061 10 0 "[ . 1 . 2]" 1 41 CYS 0.456 0.041 18 0 "[ . 1 . 2]" 1 42 ILE 0.528 0.056 18 0 "[ . 1 . 2]" 1 43 GLN 0.041 0.015 18 0 "[ . 1 . 2]" 1 44 ASN 0.395 0.039 14 0 "[ . 1 . 2]" 1 45 GLU 0.070 0.024 12 0 "[ . 1 . 2]" 1 46 ALA 0.218 0.039 14 0 "[ . 1 . 2]" 1 47 GLY 0.030 0.008 18 0 "[ . 1 . 2]" 1 48 ASP 0.084 0.011 11 0 "[ . 1 . 2]" 1 49 TRP 0.776 0.076 7 0 "[ . 1 . 2]" 1 50 LEU 1.079 0.076 7 0 "[ . 1 . 2]" 1 51 THR 0.305 0.097 11 0 "[ . 1 . 2]" 1 52 VAL 0.696 0.038 9 0 "[ . 1 . 2]" 1 53 LYS 0.219 0.054 11 0 "[ . 1 . 2]" 1 54 GLU 0.839 0.097 11 0 "[ . 1 . 2]" 1 55 PHE 0.592 0.045 18 0 "[ . 1 . 2]" 1 56 LEU 0.823 0.047 11 0 "[ . 1 . 2]" 1 57 ASN 0.797 0.081 14 0 "[ . 1 . 2]" 1 58 GLU 0.744 0.064 8 0 "[ . 1 . 2]" 1 59 GLY 0.545 0.064 8 0 "[ . 1 . 2]" 1 60 GLY 1.069 0.105 14 0 "[ . 1 . 2]" 1 61 ARG 0.614 0.047 11 0 "[ . 1 . 2]" 1 62 ALA 0.349 0.105 14 0 "[ . 1 . 2]" 1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 SER 0.076 0.020 14 0 "[ . 1 . 2]" 1 65 LYS 0.002 0.002 6 0 "[ . 1 . 2]" 1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 TRP 1.016 0.069 12 0 "[ . 1 . 2]" 1 68 LYS 0.318 0.042 9 0 "[ . 1 . 2]" 1 69 GLY 0.128 0.019 20 0 "[ . 1 . 2]" 1 70 VAL 0.498 0.069 12 0 "[ . 1 . 2]" 1 71 ILE 0.311 0.031 13 0 "[ . 1 . 2]" 1 72 ARG 0.222 0.019 5 0 "[ . 1 . 2]" 1 73 CYS 0.298 0.045 10 0 "[ . 1 . 2]" 1 74 ASN 0.122 0.045 10 0 "[ . 1 . 2]" 1 75 GLY 0.037 0.016 5 0 "[ . 1 . 2]" 1 76 GLU 0.584 0.045 10 0 "[ . 1 . 2]" 1 77 THR 0.207 0.020 10 0 "[ . 1 . 2]" 1 78 LEU 0.241 0.026 11 0 "[ . 1 . 2]" 1 79 ARG 0.422 0.026 11 0 "[ . 1 . 2]" 1 80 HIS 0.341 0.019 10 0 "[ . 1 . 2]" 1 81 LEU 0.140 0.023 19 0 "[ . 1 . 2]" 1 82 GLU 0.280 0.038 6 0 "[ . 1 . 2]" 1 83 GLN 0.185 0.045 19 0 "[ . 1 . 2]" 1 84 LYS 0.188 0.068 19 0 "[ . 1 . 2]" 1 85 GLY 0.077 0.019 19 0 "[ . 1 . 2]" 1 86 LEU 0.207 0.068 19 0 "[ . 1 . 2]" 1 87 LEU 0.291 0.063 20 0 "[ . 1 . 2]" 1 88 PHE 1.126 0.124 17 0 "[ . 1 . 2]" 1 89 SER 0.189 0.019 19 0 "[ . 1 . 2]" 1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 SER 0.000 0.000 . 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 10 ALA H 1 10 ALA MB . . 2.820 2.339 2.043 2.811 . 0 0 "[ . 1 . 2]" 1 2 1 9 ASP HB2 1 10 ALA H . . 4.430 3.644 2.266 4.434 0.004 1 0 "[ . 1 . 2]" 1 3 1 9 ASP HA 1 10 ALA H . . 3.350 2.669 2.142 3.366 0.016 12 0 "[ . 1 . 2]" 1 4 1 24 ALA H 1 24 ALA MB . . 2.430 2.381 2.292 2.441 0.011 8 0 "[ . 1 . 2]" 1 5 1 20 THR MG 1 24 ALA H . . 5.500 5.473 5.383 5.508 0.008 19 0 "[ . 1 . 2]" 1 6 1 23 LYS QG 1 24 ALA H . . 4.560 3.647 3.150 4.365 . 0 0 "[ . 1 . 2]" 1 7 1 23 LYS HB2 1 24 ALA H . . 4.590 4.243 3.854 4.461 . 0 0 "[ . 1 . 2]" 1 8 1 21 CYS HB2 1 24 ALA H . . 5.500 5.333 5.223 5.477 . 0 0 "[ . 1 . 2]" 1 9 1 24 ALA H 1 59 GLY HA3 . . 3.770 3.475 2.979 3.751 . 0 0 "[ . 1 . 2]" 1 10 1 24 ALA H 1 59 GLY HA2 . . 3.610 3.423 3.125 3.614 0.004 4 0 "[ . 1 . 2]" 1 11 1 22 GLY HA3 1 24 ALA H . . 3.690 3.613 3.507 3.659 . 0 0 "[ . 1 . 2]" 1 12 1 23 LYS HA 1 24 ALA H . . 3.210 3.101 3.069 3.218 0.008 9 0 "[ . 1 . 2]" 1 13 1 20 THR HA 1 24 ALA H . . 5.370 5.088 5.001 5.316 . 0 0 "[ . 1 . 2]" 1 14 1 24 ALA H 1 59 GLY H . . 5.240 4.925 4.398 5.227 . 0 0 "[ . 1 . 2]" 1 15 1 23 LYS H 1 24 ALA H . . 2.580 2.469 2.216 2.587 0.007 12 0 "[ . 1 . 2]" 1 16 1 37 ALA H 1 37 ALA MB . . 2.460 2.151 2.064 2.213 . 0 0 "[ . 1 . 2]" 1 17 1 36 GLY HA2 1 37 ALA H . . 2.860 2.244 2.138 2.370 . 0 0 "[ . 1 . 2]" 1 18 1 37 ALA H 1 37 ALA HA . . 2.900 2.821 2.707 2.887 . 0 0 "[ . 1 . 2]" 1 19 1 36 GLY HA3 1 37 ALA H . . 3.280 2.998 2.776 3.280 . 0 0 "[ . 1 . 2]" 1 20 1 37 ALA H 1 39 LYS H . . 4.620 4.431 4.341 4.533 . 0 0 "[ . 1 . 2]" 1 21 1 36 GLY H 1 37 ALA H . . 4.370 4.127 3.752 4.344 . 0 0 "[ . 1 . 2]" 1 22 1 37 ALA H 1 38 SER H . . 3.080 2.785 2.679 2.939 . 0 0 "[ . 1 . 2]" 1 23 1 46 ALA H 1 46 ALA MB . . 2.400 2.157 2.075 2.232 . 0 0 "[ . 1 . 2]" 1 24 1 45 GLU QB 1 46 ALA H . . 3.520 2.966 2.707 3.544 0.024 12 0 "[ . 1 . 2]" 1 25 1 44 ASN HB3 1 46 ALA H . . 4.220 4.186 4.101 4.249 0.029 14 0 "[ . 1 . 2]" 1 26 1 46 ALA H 1 47 GLY HA2 . . 4.930 4.855 4.799 4.932 0.002 7 0 "[ . 1 . 2]" 1 27 1 44 ASN HB2 1 46 ALA H . . 3.680 3.140 2.868 3.523 . 0 0 "[ . 1 . 2]" 1 28 1 46 ALA H 1 46 ALA HA . . 2.900 2.877 2.861 2.902 0.002 13 0 "[ . 1 . 2]" 1 29 1 44 ASN HA 1 46 ALA H . . 4.350 4.232 4.088 4.389 0.039 14 0 "[ . 1 . 2]" 1 30 1 46 ALA H 1 48 ASP H . . 3.890 3.829 3.627 3.896 0.006 18 0 "[ . 1 . 2]" 1 31 1 45 GLU H 1 46 ALA H . . 2.740 2.679 2.623 2.740 . 14 0 "[ . 1 . 2]" 1 32 1 44 ASN H 1 46 ALA H . . 4.610 4.597 4.554 4.631 0.021 9 0 "[ . 1 . 2]" 1 33 1 44 ASN HD21 1 46 ALA H . . 3.940 3.757 3.629 3.924 . 0 0 "[ . 1 . 2]" 1 34 1 62 ALA H 1 62 ALA MB . . 2.400 2.202 2.051 2.399 . 0 0 "[ . 1 . 2]" 1 35 1 61 ARG HB3 1 62 ALA H . . 4.310 4.181 3.847 4.319 0.009 18 0 "[ . 1 . 2]" 1 36 1 57 ASN HA 1 62 ALA H . . 4.470 2.989 2.717 3.899 . 0 0 "[ . 1 . 2]" 1 37 1 21 CYS H 1 24 ALA H . . 3.880 3.364 3.299 3.571 . 0 0 "[ . 1 . 2]" 1 38 1 61 ARG H 1 62 ALA H . . 4.100 2.558 2.219 3.957 . 0 0 "[ . 1 . 2]" 1 39 1 56 LEU HB2 1 62 ALA H . . 5.310 4.305 3.969 5.326 0.016 14 0 "[ . 1 . 2]" 1 40 1 21 CYS H 1 24 ALA MB . . 3.350 3.025 2.789 3.325 . 0 0 "[ . 1 . 2]" 1 41 1 20 THR MG 1 21 CYS H . . 3.870 3.823 3.693 3.882 0.012 14 0 "[ . 1 . 2]" 1 42 1 21 CYS H 1 21 CYS HB3 . . 2.990 2.739 2.675 2.866 . 0 0 "[ . 1 . 2]" 1 43 1 19 VAL HB 1 21 CYS H . . 5.500 5.430 5.350 5.504 0.004 1 0 "[ . 1 . 2]" 1 44 1 21 CYS H 1 21 CYS HB2 . . 3.230 3.072 2.990 3.131 . 0 0 "[ . 1 . 2]" 1 45 1 20 THR HB 1 21 CYS H . . 3.260 3.199 3.106 3.285 0.025 2 0 "[ . 1 . 2]" 1 46 1 20 THR HA 1 21 CYS H . . 2.400 2.162 2.153 2.176 . 0 0 "[ . 1 . 2]" 1 47 1 21 CYS H 1 55 PHE QE . . 3.430 3.182 2.909 3.370 . 0 0 "[ . 1 . 2]" 1 48 1 21 CYS H 1 26 GLY H . . 5.500 4.847 4.591 4.985 . 0 0 "[ . 1 . 2]" 1 49 1 21 CYS H 1 72 ARG H . . 5.500 4.953 4.762 5.251 . 0 0 "[ . 1 . 2]" 1 50 1 41 CYS H 1 42 ILE MD . . 4.640 4.513 4.179 4.659 0.019 10 0 "[ . 1 . 2]" 1 51 1 41 CYS H 1 51 THR MG . . 4.340 4.267 4.127 4.356 0.016 16 0 "[ . 1 . 2]" 1 52 1 40 LYS HB3 1 41 CYS H . . 3.840 3.779 3.738 3.823 . 0 0 "[ . 1 . 2]" 1 53 1 40 LYS HD3 1 41 CYS H . . 5.140 4.722 4.598 4.910 . 0 0 "[ . 1 . 2]" 1 54 1 40 LYS HB2 1 41 CYS H . . 4.360 4.333 4.306 4.366 0.006 19 0 "[ . 1 . 2]" 1 55 1 41 CYS H 1 41 CYS HG . . 3.410 3.184 3.030 3.421 0.011 13 0 "[ . 1 . 2]" 1 56 1 41 CYS H 1 41 CYS HB3 . . 3.340 3.123 3.067 3.207 . 0 0 "[ . 1 . 2]" 1 57 1 41 CYS H 1 41 CYS HB2 . . 3.750 3.737 3.701 3.758 0.008 8 0 "[ . 1 . 2]" 1 58 1 40 LYS HA 1 41 CYS H . . 2.400 2.168 2.160 2.179 . 0 0 "[ . 1 . 2]" 1 59 1 41 CYS H 1 51 THR HB . . 5.420 5.296 5.118 5.446 0.026 7 0 "[ . 1 . 2]" 1 60 1 41 CYS H 1 42 ILE HA . . 4.660 4.633 4.618 4.659 . 0 0 "[ . 1 . 2]" 1 61 1 41 CYS H 1 49 TRP HE3 . . 4.160 3.941 3.843 4.043 . 0 0 "[ . 1 . 2]" 1 62 1 41 CYS H 1 52 VAL H . . 4.220 3.897 3.776 4.036 . 0 0 "[ . 1 . 2]" 1 63 1 72 ARG HB3 1 73 CYS H . . 3.220 3.075 2.997 3.199 . 0 0 "[ . 1 . 2]" 1 64 1 73 CYS H 1 76 GLU HB2 . . 4.530 4.400 4.262 4.575 0.045 10 0 "[ . 1 . 2]" 1 65 1 73 CYS H 1 73 CYS HB3 . . 2.910 2.518 2.407 2.586 . 0 0 "[ . 1 . 2]" 1 66 1 73 CYS H 1 73 CYS HB2 . . 3.190 3.072 2.653 3.195 0.005 12 0 "[ . 1 . 2]" 1 67 1 73 CYS H 1 77 THR HA . . 4.290 3.215 2.889 4.310 0.020 10 0 "[ . 1 . 2]" 1 68 1 72 ARG HA 1 73 CYS H . . 2.450 2.190 2.164 2.209 . 0 0 "[ . 1 . 2]" 1 69 1 9 ASP H 1 9 ASP HB3 . . 3.930 3.318 2.584 3.751 . 0 0 "[ . 1 . 2]" 1 70 1 10 ALA MB 1 12 ASP H . . 4.690 3.448 2.309 4.586 . 0 0 "[ . 1 . 2]" 1 71 1 11 VAL HB 1 12 ASP H . . 4.100 3.434 2.279 4.065 . 0 0 "[ . 1 . 2]" 1 72 1 12 ASP H 1 12 ASP HB3 . . 3.850 2.939 2.216 3.842 . 0 0 "[ . 1 . 2]" 1 73 1 10 ALA HA 1 12 ASP H . . 4.650 3.881 3.101 4.649 . 0 0 "[ . 1 . 2]" 1 74 1 12 ASP H 1 13 PHE H . . 3.130 2.707 2.123 3.019 . 0 0 "[ . 1 . 2]" 1 75 1 43 GLN HG3 1 48 ASP H . . 4.920 4.662 4.488 4.887 . 0 0 "[ . 1 . 2]" 1 76 1 46 ALA MB 1 48 ASP H . . 2.910 2.589 2.413 2.762 . 0 0 "[ . 1 . 2]" 1 77 1 44 ASN HB3 1 48 ASP H . . 5.090 5.006 4.809 5.097 0.007 12 0 "[ . 1 . 2]" 1 78 1 47 GLY HA2 1 48 ASP H . . 3.450 3.424 3.383 3.457 0.007 18 0 "[ . 1 . 2]" 1 79 1 47 GLY HA3 1 48 ASP H . . 3.230 3.088 3.030 3.151 . 0 0 "[ . 1 . 2]" 1 80 1 43 GLN HA 1 48 ASP H . . 5.210 5.166 4.997 5.212 0.002 5 0 "[ . 1 . 2]" 1 81 1 44 ASN H 1 48 ASP H . . 4.230 4.045 3.928 4.232 0.002 18 0 "[ . 1 . 2]" 1 82 1 66 ASP H 1 66 ASP HB3 . . 3.780 3.298 2.419 3.665 . 0 0 "[ . 1 . 2]" 1 83 1 66 ASP H 1 66 ASP HB2 . . 3.780 2.670 2.345 3.591 . 0 0 "[ . 1 . 2]" 1 84 1 31 GLU H 1 32 LYS HG3 . . 5.500 5.404 5.179 5.506 0.006 14 0 "[ . 1 . 2]" 1 85 1 30 GLN HB2 1 31 GLU H . . 3.200 2.671 2.476 2.945 . 0 0 "[ . 1 . 2]" 1 86 1 30 GLN HG3 1 31 GLU H . . 4.310 3.729 3.605 3.867 . 0 0 "[ . 1 . 2]" 1 87 1 31 GLU H 1 31 GLU HG2 . . 4.550 2.985 1.899 4.257 . 0 0 "[ . 1 . 2]" 1 88 1 29 PHE HB3 1 31 GLU H . . 3.710 3.195 2.970 3.402 . 0 0 "[ . 1 . 2]" 1 89 1 30 GLN HA 1 31 GLU H . . 3.560 3.527 3.483 3.553 . 0 0 "[ . 1 . 2]" 1 90 1 31 GLU H 1 31 GLU HA . . 2.900 2.803 2.769 2.846 . 0 0 "[ . 1 . 2]" 1 91 1 45 GLU H 1 45 GLU HG3 . . 3.420 2.792 2.165 3.316 . 0 0 "[ . 1 . 2]" 1 92 1 26 GLY HA3 1 45 GLU H . . 5.120 4.742 4.203 5.058 . 0 0 "[ . 1 . 2]" 1 93 1 26 GLY HA2 1 45 GLU H . . 4.040 3.653 3.228 3.976 . 0 0 "[ . 1 . 2]" 1 94 1 44 ASN HA 1 45 GLU H . . 2.670 2.540 2.501 2.585 . 0 0 "[ . 1 . 2]" 1 95 1 44 ASN HD21 1 45 GLU H . . 4.730 4.581 4.454 4.688 . 0 0 "[ . 1 . 2]" 1 96 1 51 THR MG 1 54 GLU H . . 4.370 3.956 3.833 4.145 . 0 0 "[ . 1 . 2]" 1 97 1 53 LYS HG3 1 54 GLU H . . 5.020 4.597 4.113 4.898 . 0 0 "[ . 1 . 2]" 1 98 1 53 LYS HG2 1 54 GLU H . . 5.020 4.401 3.508 4.943 . 0 0 "[ . 1 . 2]" 1 99 1 53 LYS QB 1 54 GLU H . . 2.760 2.336 2.162 2.508 . 0 0 "[ . 1 . 2]" 1 100 1 50 LEU HB3 1 54 GLU H . . 4.570 4.452 4.335 4.557 . 0 0 "[ . 1 . 2]" 1 101 1 54 GLU H 1 54 GLU HB2 . . 3.050 2.308 2.234 2.398 . 0 0 "[ . 1 . 2]" 1 102 1 54 GLU H 1 54 GLU QG . . 3.460 2.758 2.442 3.464 0.004 15 0 "[ . 1 . 2]" 1 103 1 54 GLU H 1 55 PHE HB2 . . 5.500 5.231 5.139 5.343 . 0 0 "[ . 1 . 2]" 1 104 1 54 GLU H 1 57 ASN HB2 . . 5.500 5.205 5.077 5.453 . 0 0 "[ . 1 . 2]" 1 105 1 40 LYS QE 1 54 GLU H . . 5.500 5.484 5.389 5.561 0.061 10 0 "[ . 1 . 2]" 1 106 1 54 GLU H 1 55 PHE HB3 . . 5.500 5.178 5.094 5.309 . 0 0 "[ . 1 . 2]" 1 107 1 52 VAL HA 1 54 GLU H . . 5.210 5.016 4.813 5.190 . 0 0 "[ . 1 . 2]" 1 108 1 53 LYS HA 1 54 GLU H . . 3.570 3.565 3.551 3.572 0.002 11 0 "[ . 1 . 2]" 1 109 1 54 GLU H 1 54 GLU HA . . 2.870 2.733 2.702 2.768 . 0 0 "[ . 1 . 2]" 1 110 1 51 THR HB 1 54 GLU H . . 3.860 3.671 3.441 3.957 0.097 11 0 "[ . 1 . 2]" 1 111 1 50 LEU HA 1 54 GLU H . . 5.500 5.449 5.299 5.540 0.040 20 0 "[ . 1 . 2]" 1 112 1 51 THR HG1 1 54 GLU H . . 3.400 2.081 1.836 2.694 . 0 0 "[ . 1 . 2]" 1 113 1 54 GLU H 1 56 LEU H . . 4.450 4.350 4.213 4.464 0.014 11 0 "[ . 1 . 2]" 1 114 1 24 ALA MB 1 58 GLU H . . 4.720 4.215 3.819 4.561 . 0 0 "[ . 1 . 2]" 1 115 1 56 LEU HB3 1 58 GLU H . . 5.500 5.514 5.501 5.532 0.032 14 0 "[ . 1 . 2]" 1 116 1 58 GLU H 1 62 ALA MB . . 5.500 5.233 4.828 5.502 0.002 20 0 "[ . 1 . 2]" 1 117 1 56 LEU HB2 1 58 GLU H . . 4.990 4.810 4.743 4.854 . 0 0 "[ . 1 . 2]" 1 118 1 58 GLU H 1 58 GLU HB2 . . 2.530 2.210 2.177 2.258 . 0 0 "[ . 1 . 2]" 1 119 1 58 GLU H 1 59 GLY HA3 . . 5.240 5.080 4.917 5.124 . 0 0 "[ . 1 . 2]" 1 120 1 58 GLU H 1 58 GLU HA . . 2.850 2.778 2.763 2.821 . 0 0 "[ . 1 . 2]" 1 121 1 55 PHE QD 1 58 GLU H . . 5.330 5.253 5.168 5.333 0.003 8 0 "[ . 1 . 2]" 1 122 1 76 GLU H 1 81 LEU MD1 . . 5.020 4.246 3.618 4.899 . 0 0 "[ . 1 . 2]" 1 123 1 76 GLU H 1 81 LEU MD2 . . 5.450 4.281 3.686 4.897 . 0 0 "[ . 1 . 2]" 1 124 1 72 ARG HB3 1 76 GLU H . . 3.930 3.705 3.052 3.927 . 0 0 "[ . 1 . 2]" 1 125 1 76 GLU H 1 76 GLU HB2 . . 2.650 2.479 2.365 2.546 . 0 0 "[ . 1 . 2]" 1 126 1 76 GLU H 1 76 GLU HB3 . . 3.700 3.669 3.542 3.715 0.015 13 0 "[ . 1 . 2]" 1 127 1 73 CYS HB3 1 76 GLU H . . 4.570 4.320 4.039 4.559 . 0 0 "[ . 1 . 2]" 1 128 1 74 ASN HB3 1 76 GLU H . . 4.930 4.380 3.869 4.975 0.045 10 0 "[ . 1 . 2]" 1 129 1 74 ASN HB2 1 76 GLU H . . 4.930 3.592 3.302 4.152 . 0 0 "[ . 1 . 2]" 1 130 1 75 GLY HA2 1 76 GLU H . . 3.420 3.354 3.295 3.389 . 0 0 "[ . 1 . 2]" 1 131 1 75 GLY HA3 1 76 GLU H . . 3.260 3.192 3.148 3.262 0.002 13 0 "[ . 1 . 2]" 1 132 1 72 ARG HA 1 76 GLU H . . 5.020 4.662 4.181 4.953 . 0 0 "[ . 1 . 2]" 1 133 1 75 GLY H 1 76 GLU H . . 2.850 2.504 2.069 2.672 . 0 0 "[ . 1 . 2]" 1 134 1 73 CYS H 1 76 GLU H . . 3.500 3.269 3.060 3.428 . 0 0 "[ . 1 . 2]" 1 135 1 74 ASN H 1 76 GLU H . . 4.330 3.779 2.706 4.098 . 0 0 "[ . 1 . 2]" 1 136 1 73 CYS HA 1 76 GLU H . . 5.500 4.717 4.392 5.522 0.022 10 0 "[ . 1 . 2]" 1 137 1 81 LEU MD1 1 82 GLU H . . 5.080 4.386 4.194 4.464 . 0 0 "[ . 1 . 2]" 1 138 1 81 LEU MD2 1 82 GLU H . . 5.500 4.673 4.616 4.728 . 0 0 "[ . 1 . 2]" 1 139 1 82 GLU H 1 87 LEU HB2 . . 3.960 3.694 3.303 3.963 0.003 1 0 "[ . 1 . 2]" 1 140 1 82 GLU H 1 87 LEU HB3 . . 3.890 3.079 2.803 3.278 . 0 0 "[ . 1 . 2]" 1 141 1 82 GLU H 1 86 LEU HB2 . . 5.500 4.732 4.436 5.246 . 0 0 "[ . 1 . 2]" 1 142 1 81 LEU HB2 1 82 GLU H . . 2.940 2.556 2.499 2.647 . 0 0 "[ . 1 . 2]" 1 143 1 82 GLU H 1 82 GLU HB2 . . 2.630 2.493 2.376 2.621 . 0 0 "[ . 1 . 2]" 1 144 1 82 GLU H 1 82 GLU HB3 . . 2.710 2.556 2.427 2.679 . 0 0 "[ . 1 . 2]" 1 145 1 81 LEU HA 1 82 GLU H . . 3.550 3.541 3.527 3.547 . 0 0 "[ . 1 . 2]" 1 146 1 82 GLU H 1 82 GLU HA . . 2.850 2.789 2.774 2.809 . 0 0 "[ . 1 . 2]" 1 147 1 80 HIS HA 1 82 GLU H . . 4.550 4.491 4.417 4.555 0.005 10 0 "[ . 1 . 2]" 1 148 1 10 ALA MB 1 13 PHE H . . 4.410 3.218 2.346 3.896 . 0 0 "[ . 1 . 2]" 1 149 1 11 VAL HB 1 13 PHE H . . 5.410 5.006 3.828 5.410 . 0 0 "[ . 1 . 2]" 1 150 1 12 ASP HB3 1 13 PHE H . . 4.470 3.758 2.969 4.464 . 0 0 "[ . 1 . 2]" 1 151 1 12 ASP HB2 1 13 PHE H . . 4.470 3.799 2.632 4.482 0.012 11 0 "[ . 1 . 2]" 1 152 1 13 PHE H 1 13 PHE QB . . 3.070 2.464 2.172 3.162 0.092 14 0 "[ . 1 . 2]" 1 153 1 11 VAL HA 1 13 PHE H . . 4.800 3.847 3.333 4.688 . 0 0 "[ . 1 . 2]" 1 154 1 13 PHE H 1 13 PHE QD . . 4.290 3.426 1.898 4.292 0.002 19 0 "[ . 1 . 2]" 1 155 1 13 PHE H 1 14 SER H . . 3.770 2.747 2.023 3.773 0.003 7 0 "[ . 1 . 2]" 1 156 1 16 THR MG 1 29 PHE H . . 4.780 4.679 4.515 4.771 . 0 0 "[ . 1 . 2]" 1 157 1 27 THR MG 1 29 PHE H . . 4.730 4.550 4.426 4.661 . 0 0 "[ . 1 . 2]" 1 158 1 28 LEU HG 1 29 PHE H . . 3.340 2.662 2.564 2.763 . 0 0 "[ . 1 . 2]" 1 159 1 28 LEU HB2 1 29 PHE H . . 4.100 4.036 3.993 4.093 . 0 0 "[ . 1 . 2]" 1 160 1 29 PHE H 1 42 ILE HG13 . . 5.060 4.802 4.477 4.994 . 0 0 "[ . 1 . 2]" 1 161 1 29 PHE H 1 32 LYS HB3 . . 5.500 4.842 4.667 5.194 . 0 0 "[ . 1 . 2]" 1 162 1 29 PHE H 1 29 PHE HB3 . . 3.700 3.693 3.666 3.710 0.010 17 0 "[ . 1 . 2]" 1 163 1 29 PHE H 1 29 PHE HB2 . . 2.760 2.498 2.450 2.535 . 0 0 "[ . 1 . 2]" 1 164 1 29 PHE H 1 49 TRP HZ3 . . 4.170 3.654 3.456 3.912 . 0 0 "[ . 1 . 2]" 1 165 1 29 PHE H 1 29 PHE QE . . 4.660 4.623 4.458 4.671 0.011 4 0 "[ . 1 . 2]" 1 166 1 29 PHE H 1 32 LYS HB2 . . 5.210 3.744 3.567 4.006 . 0 0 "[ . 1 . 2]" 1 167 1 42 ILE MD 1 55 PHE H . . 3.760 3.566 3.356 3.786 0.026 20 0 "[ . 1 . 2]" 1 168 1 50 LEU MD2 1 55 PHE H . . 4.770 4.232 3.949 4.762 . 0 0 "[ . 1 . 2]" 1 169 1 42 ILE HB 1 55 PHE H . . 4.510 4.336 4.183 4.513 0.003 13 0 "[ . 1 . 2]" 1 170 1 50 LEU HB2 1 55 PHE H . . 3.770 3.312 2.932 3.690 . 0 0 "[ . 1 . 2]" 1 171 1 53 LYS QB 1 55 PHE H . . 5.120 4.851 4.635 4.994 . 0 0 "[ . 1 . 2]" 1 172 1 50 LEU HB3 1 55 PHE H . . 3.190 2.652 2.277 3.060 . 0 0 "[ . 1 . 2]" 1 173 1 54 GLU HB3 1 55 PHE H . . 3.330 2.983 2.803 3.316 . 0 0 "[ . 1 . 2]" 1 174 1 54 GLU HB2 1 55 PHE H . . 2.900 2.480 2.288 2.747 . 0 0 "[ . 1 . 2]" 1 175 1 55 PHE H 1 55 PHE HB2 . . 2.550 2.385 2.324 2.468 . 0 0 "[ . 1 . 2]" 1 176 1 55 PHE H 1 55 PHE HB3 . . 2.860 2.749 2.594 2.839 . 0 0 "[ . 1 . 2]" 1 177 1 52 VAL HA 1 55 PHE H . . 4.550 4.329 4.104 4.548 . 0 0 "[ . 1 . 2]" 1 178 1 53 LYS HA 1 55 PHE H . . 4.930 4.748 4.294 4.951 0.021 18 0 "[ . 1 . 2]" 1 179 1 55 PHE H 1 55 PHE HA . . 2.890 2.697 2.664 2.778 . 0 0 "[ . 1 . 2]" 1 180 1 54 GLU H 1 55 PHE H . . 3.110 3.028 2.867 3.120 0.010 11 0 "[ . 1 . 2]" 1 181 1 51 THR H 1 55 PHE H . . 4.170 3.876 3.539 4.165 . 0 0 "[ . 1 . 2]" 1 182 1 87 LEU HB3 1 88 PHE H . . 4.230 4.016 3.721 4.235 0.005 5 0 "[ . 1 . 2]" 1 183 1 88 PHE H 1 88 PHE HB3 . . 2.940 2.344 2.224 2.510 . 0 0 "[ . 1 . 2]" 1 184 1 87 LEU HA 1 88 PHE H . . 2.510 2.188 2.138 2.301 . 0 0 "[ . 1 . 2]" 1 185 1 88 PHE H 1 88 PHE HA . . 2.920 2.843 2.750 2.927 0.007 19 0 "[ . 1 . 2]" 1 186 1 30 GLN HE22 1 88 PHE H . . 3.860 2.522 2.046 3.027 . 0 0 "[ . 1 . 2]" 1 187 1 88 PHE H 1 88 PHE QE . . 5.320 4.322 4.202 4.560 . 0 0 "[ . 1 . 2]" 1 188 1 80 HIS H 1 81 LEU MD1 . . 5.500 5.230 5.007 5.375 . 0 0 "[ . 1 . 2]" 1 189 1 80 HIS H 1 81 LEU MD2 . . 5.500 5.374 5.120 5.507 0.007 5 0 "[ . 1 . 2]" 1 190 1 77 THR MG 1 80 HIS H . . 4.440 4.363 4.256 4.429 . 0 0 "[ . 1 . 2]" 1 191 1 79 ARG HG3 1 80 HIS H . . 5.100 4.459 3.325 4.993 . 0 0 "[ . 1 . 2]" 1 192 1 79 ARG HB3 1 80 HIS H . . 2.850 2.597 2.473 2.706 . 0 0 "[ . 1 . 2]" 1 193 1 80 HIS H 1 81 LEU HB2 . . 5.240 4.950 4.877 5.068 . 0 0 "[ . 1 . 2]" 1 194 1 79 ARG HD2 1 80 HIS H . . 5.500 4.226 2.673 5.511 0.011 5 0 "[ . 1 . 2]" 1 195 1 79 ARG HD3 1 80 HIS H . . 5.500 4.986 4.388 5.498 . 0 0 "[ . 1 . 2]" 1 196 1 80 HIS H 1 80 HIS HB2 . . 2.660 2.407 2.288 2.518 . 0 0 "[ . 1 . 2]" 1 197 1 79 ARG HA 1 80 HIS H . . 3.560 3.541 3.528 3.558 . 0 0 "[ . 1 . 2]" 1 198 1 78 LEU HA 1 80 HIS H . . 4.570 4.368 4.226 4.553 . 0 0 "[ . 1 . 2]" 1 199 1 80 HIS H 1 80 HIS HA . . 2.830 2.801 2.781 2.821 . 0 0 "[ . 1 . 2]" 1 200 1 77 THR HB 1 80 HIS H . . 3.690 3.555 3.384 3.691 0.001 20 0 "[ . 1 . 2]" 1 201 1 80 HIS H 1 82 GLU H . . 4.240 4.171 4.061 4.250 0.010 13 0 "[ . 1 . 2]" 1 202 1 76 GLU HB3 1 80 HIS H . . 5.060 4.818 4.619 5.021 . 0 0 "[ . 1 . 2]" 1 203 1 80 HIS H 1 82 GLU HB3 . . 5.500 5.206 4.965 5.474 . 0 0 "[ . 1 . 2]" 1 204 1 80 HIS H 1 83 GLN HB2 . . 5.500 5.465 5.350 5.519 0.019 10 0 "[ . 1 . 2]" 1 205 1 42 ILE H 1 42 ILE MG . . 3.800 3.768 3.742 3.792 . 0 0 "[ . 1 . 2]" 1 206 1 42 ILE H 1 42 ILE HB . . 2.640 2.467 2.407 2.558 . 0 0 "[ . 1 . 2]" 1 207 1 42 ILE H 1 50 LEU HB2 . . 4.560 4.343 4.288 4.418 . 0 0 "[ . 1 . 2]" 1 208 1 42 ILE H 1 42 ILE HG13 . . 3.210 2.443 2.259 2.668 . 0 0 "[ . 1 . 2]" 1 209 1 41 CYS HG 1 42 ILE H . . 4.370 4.050 3.821 4.378 0.008 13 0 "[ . 1 . 2]" 1 210 1 41 CYS HB3 1 42 ILE H . . 4.280 4.141 4.089 4.218 . 0 0 "[ . 1 . 2]" 1 211 1 41 CYS HB2 1 42 ILE H . . 4.050 3.919 3.877 4.032 . 0 0 "[ . 1 . 2]" 1 212 1 41 CYS HA 1 42 ILE H . . 3.500 3.459 3.424 3.479 . 0 0 "[ . 1 . 2]" 1 213 1 42 ILE H 1 49 TRP HA . . 4.820 4.745 4.623 4.830 0.010 8 0 "[ . 1 . 2]" 1 214 1 42 ILE H 1 49 TRP HZ3 . . 5.140 5.039 4.866 5.144 0.004 1 0 "[ . 1 . 2]" 1 215 1 42 ILE H 1 49 TRP HE3 . . 3.720 3.618 3.462 3.723 0.003 5 0 "[ . 1 . 2]" 1 216 1 41 CYS H 1 42 ILE H . . 2.400 1.884 1.874 1.914 . 0 0 "[ . 1 . 2]" 1 217 1 28 LEU MD1 1 42 ILE H . . 4.440 4.208 4.081 4.352 . 0 0 "[ . 1 . 2]" 1 218 1 40 LYS HB3 1 42 ILE H . . 4.460 4.421 4.270 4.486 0.026 14 0 "[ . 1 . 2]" 1 219 1 42 ILE H 1 50 LEU HB3 . . 5.500 5.489 5.424 5.556 0.056 18 0 "[ . 1 . 2]" 1 220 1 70 VAL MG2 1 71 ILE H . . 3.460 1.912 1.828 2.040 . 0 0 "[ . 1 . 2]" 1 221 1 71 ILE H 1 71 ILE HB . . 2.700 2.509 2.468 2.567 . 0 0 "[ . 1 . 2]" 1 222 1 71 ILE H 1 71 ILE HG13 . . 2.840 2.273 2.101 2.482 . 0 0 "[ . 1 . 2]" 1 223 1 68 LYS HA 1 71 ILE H . . 4.440 3.923 3.754 4.058 . 0 0 "[ . 1 . 2]" 1 224 1 69 GLY HA3 1 71 ILE H . . 5.050 4.705 4.492 4.821 . 0 0 "[ . 1 . 2]" 1 225 1 67 TRP HA 1 71 ILE H . . 3.920 3.711 3.537 3.951 0.031 13 0 "[ . 1 . 2]" 1 226 1 70 VAL HA 1 71 ILE H . . 3.560 3.529 3.486 3.548 . 0 0 "[ . 1 . 2]" 1 227 1 70 VAL H 1 71 ILE H . . 2.630 2.589 2.506 2.638 0.008 3 0 "[ . 1 . 2]" 1 228 1 8 ASN H 1 8 ASN HB3 . . 4.040 3.151 2.384 3.750 . 0 0 "[ . 1 . 2]" 1 229 1 8 ASN H 1 8 ASN HB2 . . 4.040 2.769 2.284 3.659 . 0 0 "[ . 1 . 2]" 1 230 1 42 ILE MG 1 44 ASN H . . 4.160 4.008 3.819 4.120 . 0 0 "[ . 1 . 2]" 1 231 1 43 GLN HB2 1 44 ASN H . . 4.500 4.450 4.400 4.515 0.015 18 0 "[ . 1 . 2]" 1 232 1 43 GLN HG3 1 44 ASN H . . 4.100 3.776 3.629 4.058 . 0 0 "[ . 1 . 2]" 1 233 1 43 GLN HG2 1 44 ASN H . . 3.360 3.132 2.978 3.268 . 0 0 "[ . 1 . 2]" 1 234 1 43 GLN HB3 1 44 ASN H . . 4.360 4.107 4.022 4.190 . 0 0 "[ . 1 . 2]" 1 235 1 44 ASN H 1 44 ASN HB3 . . 2.940 2.482 2.342 2.604 . 0 0 "[ . 1 . 2]" 1 236 1 26 GLY HA3 1 44 ASN H . . 5.150 4.429 3.936 4.866 . 0 0 "[ . 1 . 2]" 1 237 1 44 ASN H 1 47 GLY HA2 . . 5.500 4.523 4.306 4.932 . 0 0 "[ . 1 . 2]" 1 238 1 44 ASN H 1 44 ASN HB2 . . 3.610 3.602 3.573 3.616 0.006 4 0 "[ . 1 . 2]" 1 239 1 43 GLN HA 1 44 ASN H . . 2.430 2.141 2.139 2.146 . 0 0 "[ . 1 . 2]" 1 240 1 44 ASN H 1 44 ASN HD22 . . 4.770 4.071 3.454 4.508 . 0 0 "[ . 1 . 2]" 1 241 1 44 ASN H 1 45 GLU H . . 4.620 4.562 4.525 4.602 . 0 0 "[ . 1 . 2]" 1 242 1 44 ASN H 1 50 LEU H . . 4.740 4.524 4.155 4.732 . 0 0 "[ . 1 . 2]" 1 243 1 44 ASN HB3 1 44 ASN HD21 . . 2.990 2.512 2.430 2.554 . 0 0 "[ . 1 . 2]" 1 244 1 44 ASN HA 1 44 ASN HD21 . . 4.630 4.360 3.827 4.629 . 0 0 "[ . 1 . 2]" 1 245 1 44 ASN HD22 1 50 LEU MD2 . . 4.930 4.584 3.513 4.928 . 0 0 "[ . 1 . 2]" 1 246 1 44 ASN HD22 1 46 ALA MB . . 3.280 2.070 1.864 2.375 . 0 0 "[ . 1 . 2]" 1 247 1 44 ASN HD22 1 48 ASP HB3 . . 3.640 3.500 2.323 3.651 0.011 11 0 "[ . 1 . 2]" 1 248 1 44 ASN HD22 1 48 ASP H . . 3.780 2.622 1.792 3.339 . 0 0 "[ . 1 . 2]" 1 249 1 56 LEU MD1 1 57 ASN H . . 5.050 4.180 3.989 4.334 . 0 0 "[ . 1 . 2]" 1 250 1 56 LEU HB2 1 57 ASN H . . 2.730 2.295 2.111 2.425 . 0 0 "[ . 1 . 2]" 1 251 1 57 ASN H 1 58 GLU HB2 . . 4.820 4.727 4.646 4.833 0.013 8 0 "[ . 1 . 2]" 1 252 1 54 GLU QG 1 57 ASN H . . 5.500 5.418 5.261 5.530 0.030 19 0 "[ . 1 . 2]" 1 253 1 53 LYS HA 1 57 ASN H . . 4.930 4.609 4.381 4.757 . 0 0 "[ . 1 . 2]" 1 254 1 54 GLU HA 1 57 ASN H . . 3.830 3.391 3.279 3.595 . 0 0 "[ . 1 . 2]" 1 255 1 57 ASN H 1 57 ASN HA . . 2.800 2.746 2.715 2.773 . 0 0 "[ . 1 . 2]" 1 256 1 57 ASN H 1 58 GLU H . . 2.930 2.839 2.744 2.931 0.001 8 0 "[ . 1 . 2]" 1 257 1 55 PHE H 1 57 ASN H . . 4.730 4.587 4.408 4.741 0.011 8 0 "[ . 1 . 2]" 1 258 1 57 ASN HD21 1 62 ALA MB . . 4.490 2.933 2.008 3.377 . 0 0 "[ . 1 . 2]" 1 259 1 57 ASN HA 1 57 ASN HD21 . . 4.700 3.621 2.829 4.293 . 0 0 "[ . 1 . 2]" 1 260 1 57 ASN HD22 1 62 ALA MB . . 4.490 2.506 1.872 3.535 . 0 0 "[ . 1 . 2]" 1 261 1 57 ASN HA 1 57 ASN HD22 . . 4.700 4.083 3.687 4.491 . 0 0 "[ . 1 . 2]" 1 262 1 73 CYS HB2 1 74 ASN H . . 4.410 4.196 3.527 4.394 . 0 0 "[ . 1 . 2]" 1 263 1 74 ASN H 1 74 ASN HB2 . . 4.110 3.297 2.410 3.671 . 0 0 "[ . 1 . 2]" 1 264 1 28 LEU MD1 1 67 TRP HZ2 . . 5.500 5.464 5.258 5.516 0.016 10 0 "[ . 1 . 2]" 1 265 1 18 PRO HG3 1 74 ASN HD21 . . 4.990 4.144 3.026 4.986 . 0 0 "[ . 1 . 2]" 1 266 1 18 PRO HG3 1 74 ASN HD22 . . 3.860 2.758 1.892 3.639 . 0 0 "[ . 1 . 2]" 1 267 1 18 PRO HG2 1 74 ASN HD22 . . 3.940 2.723 2.209 3.563 . 0 0 "[ . 1 . 2]" 1 268 1 18 PRO HD2 1 74 ASN HD22 . . 4.330 3.847 2.975 4.334 0.004 6 0 "[ . 1 . 2]" 1 269 1 16 THR MG 1 30 GLN H . . 4.340 4.185 3.952 4.344 0.004 16 0 "[ . 1 . 2]" 1 270 1 17 LEU MD1 1 30 GLN H . . 5.210 4.564 4.361 4.736 . 0 0 "[ . 1 . 2]" 1 271 1 28 LEU HG 1 30 GLN H . . 3.660 3.515 3.448 3.637 . 0 0 "[ . 1 . 2]" 1 272 1 17 LEU HG 1 30 GLN H . . 4.460 4.366 4.239 4.427 . 0 0 "[ . 1 . 2]" 1 273 1 30 GLN H 1 30 GLN HG2 . . 3.060 2.246 2.199 2.301 . 0 0 "[ . 1 . 2]" 1 274 1 30 GLN H 1 30 GLN HG3 . . 2.880 1.996 1.935 2.125 . 0 0 "[ . 1 . 2]" 1 275 1 29 PHE HB3 1 30 GLN H . . 3.820 3.821 3.807 3.825 0.005 4 0 "[ . 1 . 2]" 1 276 1 15 PRO HA 1 30 GLN H . . 4.310 3.972 3.732 4.228 . 0 0 "[ . 1 . 2]" 1 277 1 16 THR HA 1 30 GLN H . . 3.440 3.352 3.109 3.456 0.016 6 0 "[ . 1 . 2]" 1 278 1 29 PHE QD 1 30 GLN H . . 5.270 4.758 4.736 4.794 . 0 0 "[ . 1 . 2]" 1 279 1 17 LEU H 1 30 GLN H . . 4.750 4.588 4.495 4.683 . 0 0 "[ . 1 . 2]" 1 280 1 29 PHE H 1 30 GLN H . . 4.150 4.108 4.084 4.130 . 0 0 "[ . 1 . 2]" 1 281 1 30 GLN H 1 31 GLU H . . 3.000 2.910 2.771 2.988 . 0 0 "[ . 1 . 2]" 1 282 1 17 LEU MD1 1 30 GLN HE21 . . 3.590 2.458 2.191 2.755 . 0 0 "[ . 1 . 2]" 1 283 1 17 LEU HG 1 30 GLN HE21 . . 4.320 4.105 3.682 4.316 . 0 0 "[ . 1 . 2]" 1 284 1 30 GLN HE21 1 30 GLN HG2 . . 3.190 2.166 2.121 2.209 . 0 0 "[ . 1 . 2]" 1 285 1 30 GLN HB3 1 30 GLN HE21 . . 3.860 3.166 2.976 3.477 . 0 0 "[ . 1 . 2]" 1 286 1 30 GLN HA 1 30 GLN HE21 . . 4.140 4.102 3.984 4.157 0.017 15 0 "[ . 1 . 2]" 1 287 1 30 GLN HE21 1 88 PHE HA . . 5.500 5.521 5.499 5.581 0.081 20 0 "[ . 1 . 2]" 1 288 1 30 GLN H 1 30 GLN HE21 . . 4.470 4.406 4.311 4.464 . 0 0 "[ . 1 . 2]" 1 289 1 30 GLN HE22 1 30 GLN HG2 . . 3.660 3.455 3.439 3.472 . 0 0 "[ . 1 . 2]" 1 290 1 30 GLN HA 1 30 GLN HE22 . . 5.500 5.449 5.381 5.512 0.012 15 0 "[ . 1 . 2]" 1 291 1 30 GLN HE22 1 87 LEU HA . . 3.720 3.310 2.453 3.748 0.028 19 0 "[ . 1 . 2]" 1 292 1 34 LYS QD 1 35 GLN H . . 5.330 4.471 3.635 5.104 . 0 0 "[ . 1 . 2]" 1 293 1 34 LYS QB 1 35 GLN H . . 3.460 2.747 2.147 3.496 0.036 17 0 "[ . 1 . 2]" 1 294 1 33 LEU HB3 1 35 GLN H . . 5.500 5.193 4.871 5.520 0.020 19 0 "[ . 1 . 2]" 1 295 1 35 GLN H 1 35 GLN HB2 . . 2.720 2.606 2.375 2.773 0.053 18 0 "[ . 1 . 2]" 1 296 1 34 LYS HA 1 35 GLN H . . 3.570 3.540 3.499 3.572 0.002 19 0 "[ . 1 . 2]" 1 297 1 35 GLN H 1 35 GLN HA . . 2.840 2.767 2.663 2.833 . 0 0 "[ . 1 . 2]" 1 298 1 35 GLN H 1 36 GLY H . . 3.140 2.868 2.606 3.147 0.007 19 0 "[ . 1 . 2]" 1 299 1 34 LYS H 1 35 GLN H . . 3.130 2.853 2.724 3.045 . 0 0 "[ . 1 . 2]" 1 300 1 35 GLN HB2 1 35 GLN HE21 . . 4.460 3.097 2.106 4.466 0.006 17 0 "[ . 1 . 2]" 1 301 1 35 GLN HB3 1 35 GLN HE21 . . 4.390 2.956 1.929 4.341 . 0 0 "[ . 1 . 2]" 1 302 1 32 LYS HA 1 35 GLN HE21 . . 5.500 4.423 1.967 5.527 0.027 20 0 "[ . 1 . 2]" 1 303 1 35 GLN HA 1 35 GLN HE21 . . 5.500 4.362 3.492 5.099 . 0 0 "[ . 1 . 2]" 1 304 1 35 GLN HB2 1 35 GLN HE22 . . 5.030 4.189 3.326 5.057 0.027 13 0 "[ . 1 . 2]" 1 305 1 32 LYS HA 1 35 GLN HE22 . . 5.500 4.866 1.858 5.526 0.026 13 0 "[ . 1 . 2]" 1 306 1 35 GLN HA 1 35 GLN HE22 . . 5.500 5.305 3.528 5.660 0.160 12 0 "[ . 1 . 2]" 1 307 1 42 ILE MG 1 43 GLN H . . 3.150 2.974 2.750 3.124 . 0 0 "[ . 1 . 2]" 1 308 1 43 GLN H 1 43 GLN HB2 . . 3.010 2.551 2.481 2.619 . 0 0 "[ . 1 . 2]" 1 309 1 19 VAL MG2 1 43 GLN H . . 5.030 4.512 4.164 4.821 . 0 0 "[ . 1 . 2]" 1 310 1 42 ILE HG12 1 43 GLN H . . 5.460 4.590 4.455 4.842 . 0 0 "[ . 1 . 2]" 1 311 1 27 THR MG 1 43 GLN H . . 4.580 4.323 4.135 4.510 . 0 0 "[ . 1 . 2]" 1 312 1 42 ILE HB 1 43 GLN H . . 4.460 4.383 4.321 4.447 . 0 0 "[ . 1 . 2]" 1 313 1 43 GLN H 1 43 GLN HB3 . . 2.920 2.757 2.684 2.830 . 0 0 "[ . 1 . 2]" 1 314 1 42 ILE HG13 1 43 GLN H . . 5.120 4.953 4.868 5.081 . 0 0 "[ . 1 . 2]" 1 315 1 26 GLY HA3 1 43 GLN H . . 4.520 4.229 4.003 4.519 . 0 0 "[ . 1 . 2]" 1 316 1 27 THR HB 1 43 GLN H . . 3.810 3.428 3.226 3.654 . 0 0 "[ . 1 . 2]" 1 317 1 28 LEU HA 1 43 GLN H . . 4.120 3.878 3.675 4.108 . 0 0 "[ . 1 . 2]" 1 318 1 42 ILE HA 1 43 GLN H . . 2.400 2.153 2.141 2.178 . 0 0 "[ . 1 . 2]" 1 319 1 43 GLN H 1 49 TRP HZ3 . . 4.360 4.068 3.720 4.361 0.001 14 0 "[ . 1 . 2]" 1 320 1 43 GLN H 1 49 TRP HE3 . . 4.170 3.850 3.625 4.080 . 0 0 "[ . 1 . 2]" 1 321 1 29 PHE H 1 43 GLN H . . 5.070 4.874 4.611 5.010 . 0 0 "[ . 1 . 2]" 1 322 1 43 GLN H 1 43 GLN HG3 . . 4.530 4.465 4.411 4.512 . 0 0 "[ . 1 . 2]" 1 323 1 43 GLN HE22 1 43 GLN HG3 . . 3.490 3.458 3.447 3.478 . 0 0 "[ . 1 . 2]" 1 324 1 43 GLN HE22 1 43 GLN HG2 . . 3.890 3.841 3.791 3.874 . 0 0 "[ . 1 . 2]" 1 325 1 43 GLN HE22 1 47 GLY HA2 . . 3.800 3.742 3.649 3.800 0.000 12 0 "[ . 1 . 2]" 1 326 1 43 GLN HE21 1 43 GLN HG3 . . 3.010 2.170 2.142 2.224 . 0 0 "[ . 1 . 2]" 1 327 1 43 GLN HE21 1 43 GLN HG2 . . 3.370 3.047 2.944 3.113 . 0 0 "[ . 1 . 2]" 1 328 1 43 GLN HE21 1 47 GLY HA2 . . 3.480 3.288 3.107 3.415 . 0 0 "[ . 1 . 2]" 1 329 1 82 GLU HB2 1 83 GLN H . . 4.090 3.845 3.724 3.949 . 0 0 "[ . 1 . 2]" 1 330 1 82 GLU HB3 1 83 GLN H . . 2.940 2.554 2.489 2.646 . 0 0 "[ . 1 . 2]" 1 331 1 81 LEU HA 1 83 GLN H . . 4.660 4.414 4.303 4.543 . 0 0 "[ . 1 . 2]" 1 332 1 83 GLN H 1 83 GLN HA . . 2.830 2.791 2.777 2.839 0.009 19 0 "[ . 1 . 2]" 1 333 1 82 GLU H 1 83 GLN H . . 2.840 2.755 2.690 2.801 . 0 0 "[ . 1 . 2]" 1 334 1 83 GLN H 1 84 LYS HB2 . . 5.060 4.867 4.779 4.924 . 0 0 "[ . 1 . 2]" 1 335 1 83 GLN HE21 1 83 GLN HG3 . . 3.380 2.349 2.118 2.875 . 0 0 "[ . 1 . 2]" 1 336 1 83 GLN HE21 1 83 GLN HG2 . . 3.380 2.843 2.267 3.363 . 0 0 "[ . 1 . 2]" 1 337 1 83 GLN HE22 1 83 GLN HG3 . . 4.010 3.532 3.438 3.760 . 0 0 "[ . 1 . 2]" 1 338 1 83 GLN HE22 1 83 GLN HG2 . . 4.010 3.749 3.495 3.999 . 0 0 "[ . 1 . 2]" 1 339 1 79 ARG HD3 1 83 GLN HE22 . . 5.380 4.057 2.586 5.383 0.003 3 0 "[ . 1 . 2]" 1 340 1 61 ARG H 1 61 ARG HB2 . . 3.020 2.467 2.371 2.691 . 0 0 "[ . 1 . 2]" 1 341 1 61 ARG H 1 61 ARG HB3 . . 3.870 3.585 2.921 3.688 . 0 0 "[ . 1 . 2]" 1 342 1 56 LEU HB2 1 61 ARG H . . 4.530 4.328 4.099 4.577 0.047 11 0 "[ . 1 . 2]" 1 343 1 59 GLY HA3 1 61 ARG H . . 4.440 4.023 3.814 4.186 . 0 0 "[ . 1 . 2]" 1 344 1 60 GLY HA3 1 61 ARG H . . 3.530 3.470 3.344 3.520 . 0 0 "[ . 1 . 2]" 1 345 1 60 GLY HA2 1 61 ARG H . . 3.530 2.994 2.886 3.204 . 0 0 "[ . 1 . 2]" 1 346 1 57 ASN HA 1 61 ARG H . . 3.720 3.323 2.984 3.622 . 0 0 "[ . 1 . 2]" 1 347 1 71 ILE MG 1 72 ARG H . . 2.800 2.397 1.935 2.763 . 0 0 "[ . 1 . 2]" 1 348 1 72 ARG H 1 72 ARG HB2 . . 2.910 2.659 2.582 2.738 . 0 0 "[ . 1 . 2]" 1 349 1 71 ILE HB 1 72 ARG H . . 4.270 4.134 3.907 4.243 . 0 0 "[ . 1 . 2]" 1 350 1 19 VAL HB 1 72 ARG H . . 4.930 4.483 3.937 4.867 . 0 0 "[ . 1 . 2]" 1 351 1 71 ILE HG13 1 72 ARG H . . 5.110 4.985 4.875 5.079 . 0 0 "[ . 1 . 2]" 1 352 1 21 CYS HB2 1 72 ARG H . . 4.720 4.433 3.835 4.722 0.002 5 0 "[ . 1 . 2]" 1 353 1 19 VAL MG1 1 72 ARG H . . 5.500 5.094 4.719 5.336 . 0 0 "[ . 1 . 2]" 1 354 1 21 CYS HA 1 72 ARG H . . 4.030 3.628 3.293 3.884 . 0 0 "[ . 1 . 2]" 1 355 1 71 ILE HA 1 72 ARG H . . 2.400 2.164 2.143 2.219 . 0 0 "[ . 1 . 2]" 1 356 1 19 VAL HA 1 72 ARG H . . 4.820 4.557 4.351 4.817 . 0 0 "[ . 1 . 2]" 1 357 1 71 ILE H 1 72 ARG H . . 4.630 4.532 4.490 4.597 . 0 0 "[ . 1 . 2]" 1 358 1 72 ARG H 1 73 CYS H . . 4.480 4.429 4.358 4.489 0.009 7 0 "[ . 1 . 2]" 1 359 1 68 LYS HG3 1 79 ARG H . . 5.500 5.411 5.120 5.524 0.024 5 0 "[ . 1 . 2]" 1 360 1 68 LYS HG2 1 79 ARG H . . 4.590 4.368 4.172 4.489 . 0 0 "[ . 1 . 2]" 1 361 1 68 LYS HB3 1 79 ARG H . . 2.920 2.483 2.130 2.666 . 0 0 "[ . 1 . 2]" 1 362 1 79 ARG H 1 79 ARG HB2 . . 2.690 2.573 2.390 2.680 . 0 0 "[ . 1 . 2]" 1 363 1 79 ARG H 1 79 ARG HB3 . . 2.770 2.477 2.372 2.665 . 0 0 "[ . 1 . 2]" 1 364 1 78 LEU HB2 1 79 ARG H . . 3.090 2.490 2.354 2.646 . 0 0 "[ . 1 . 2]" 1 365 1 68 LYS HA 1 79 ARG H . . 4.090 3.963 3.837 4.061 . 0 0 "[ . 1 . 2]" 1 366 1 79 ARG H 1 79 ARG HA . . 2.810 2.774 2.747 2.800 . 0 0 "[ . 1 . 2]" 1 367 1 78 LEU HA 1 79 ARG H . . 3.560 3.548 3.528 3.561 0.001 15 0 "[ . 1 . 2]" 1 368 1 79 ARG H 1 80 HIS HA . . 5.410 5.373 5.319 5.424 0.014 13 0 "[ . 1 . 2]" 1 369 1 77 THR HA 1 79 ARG H . . 4.400 4.234 3.991 4.403 0.003 16 0 "[ . 1 . 2]" 1 370 1 77 THR HB 1 79 ARG H . . 3.120 2.951 2.831 3.103 . 0 0 "[ . 1 . 2]" 1 371 1 79 ARG H 1 79 ARG HE . . 5.500 4.990 4.372 5.409 . 0 0 "[ . 1 . 2]" 1 372 1 79 ARG H 1 82 GLU H . . 4.930 4.813 4.653 4.937 0.007 6 0 "[ . 1 . 2]" 1 373 1 79 ARG H 1 80 HIS H . . 3.520 2.794 2.726 2.861 . 0 0 "[ . 1 . 2]" 1 374 1 16 THR H 1 27 THR MG . . 4.980 4.857 4.745 4.953 . 0 0 "[ . 1 . 2]" 1 375 1 16 THR H 1 17 LEU MD2 . . 4.330 3.874 3.715 4.075 . 0 0 "[ . 1 . 2]" 1 376 1 16 THR H 1 17 LEU HG . . 4.430 4.285 4.079 4.384 . 0 0 "[ . 1 . 2]" 1 377 1 15 PRO QG 1 16 THR H . . 3.410 3.276 3.167 3.347 . 0 0 "[ . 1 . 2]" 1 378 1 16 THR H 1 16 THR HB . . 3.880 3.801 3.742 3.861 . 0 0 "[ . 1 . 2]" 1 379 1 15 PRO HD2 1 16 THR H . . 3.140 3.031 2.951 3.086 . 0 0 "[ . 1 . 2]" 1 380 1 14 SER H 1 16 THR H . . 5.240 4.201 3.427 5.090 . 0 0 "[ . 1 . 2]" 1 381 1 16 THR H 1 30 GLN H . . 5.500 5.014 4.848 5.211 . 0 0 "[ . 1 . 2]" 1 382 1 19 VAL MG2 1 20 THR H . . 3.780 3.635 3.480 3.769 . 0 0 "[ . 1 . 2]" 1 383 1 20 THR H 1 71 ILE MG . . 3.130 2.418 2.196 2.714 . 0 0 "[ . 1 . 2]" 1 384 1 20 THR H 1 72 ARG HB2 . . 4.530 4.171 3.906 4.531 0.001 5 0 "[ . 1 . 2]" 1 385 1 19 VAL HB 1 20 THR H . . 2.800 2.680 2.469 2.806 0.006 13 0 "[ . 1 . 2]" 1 386 1 20 THR H 1 21 CYS HB2 . . 5.500 4.783 4.622 4.880 . 0 0 "[ . 1 . 2]" 1 387 1 20 THR H 1 73 CYS HB2 . . 5.500 4.858 4.400 5.509 0.009 10 0 "[ . 1 . 2]" 1 388 1 20 THR H 1 71 ILE HB . . 5.500 5.251 5.013 5.513 0.013 19 0 "[ . 1 . 2]" 1 389 1 20 THR H 1 71 ILE HA . . 4.400 3.997 3.740 4.329 . 0 0 "[ . 1 . 2]" 1 390 1 20 THR H 1 73 CYS HA . . 4.090 3.811 3.516 4.048 . 0 0 "[ . 1 . 2]" 1 391 1 19 VAL HA 1 20 THR H . . 2.400 2.288 2.245 2.365 . 0 0 "[ . 1 . 2]" 1 392 1 20 THR H 1 55 PHE QE . . 4.080 3.503 3.343 3.724 . 0 0 "[ . 1 . 2]" 1 393 1 20 THR H 1 21 CYS H . . 4.270 4.209 4.171 4.267 . 0 0 "[ . 1 . 2]" 1 394 1 20 THR H 1 72 ARG H . . 3.150 2.789 2.604 3.135 . 0 0 "[ . 1 . 2]" 1 395 1 27 THR H 1 42 ILE MG . . 2.810 2.477 2.157 2.808 . 0 0 "[ . 1 . 2]" 1 396 1 19 VAL MG2 1 27 THR H . . 3.370 3.141 2.849 3.373 0.003 8 0 "[ . 1 . 2]" 1 397 1 27 THR H 1 27 THR MG . . 4.010 3.953 3.911 3.984 . 0 0 "[ . 1 . 2]" 1 398 1 26 GLY HA3 1 27 THR H . . 2.530 2.262 2.212 2.350 . 0 0 "[ . 1 . 2]" 1 399 1 27 THR H 1 27 THR HB . . 3.040 2.918 2.807 2.983 . 0 0 "[ . 1 . 2]" 1 400 1 26 GLY HA2 1 27 THR H . . 3.080 2.923 2.799 3.003 . 0 0 "[ . 1 . 2]" 1 401 1 27 THR H 1 44 ASN HA . . 4.140 3.937 3.725 4.099 . 0 0 "[ . 1 . 2]" 1 402 1 27 THR H 1 42 ILE HA . . 3.780 3.369 3.158 3.602 . 0 0 "[ . 1 . 2]" 1 403 1 51 THR H 1 51 THR MG . . 2.610 2.258 2.110 2.413 . 0 0 "[ . 1 . 2]" 1 404 1 40 LYS HD2 1 51 THR H . . 4.370 3.099 2.963 3.412 . 0 0 "[ . 1 . 2]" 1 405 1 40 LYS HG2 1 51 THR H . . 4.580 4.206 4.104 4.324 . 0 0 "[ . 1 . 2]" 1 406 1 40 LYS HD3 1 51 THR H . . 3.400 1.961 1.890 2.027 . 0 0 "[ . 1 . 2]" 1 407 1 50 LEU HB3 1 51 THR H . . 3.070 2.941 2.868 3.028 . 0 0 "[ . 1 . 2]" 1 408 1 51 THR H 1 54 GLU HB2 . . 3.180 2.054 1.871 2.214 . 0 0 "[ . 1 . 2]" 1 409 1 40 LYS QE 1 51 THR H . . 4.080 3.017 2.893 3.216 . 0 0 "[ . 1 . 2]" 1 410 1 40 LYS HA 1 51 THR H . . 3.780 3.500 3.346 3.607 . 0 0 "[ . 1 . 2]" 1 411 1 51 THR H 1 54 GLU HA . . 5.060 4.955 4.805 5.069 0.009 8 0 "[ . 1 . 2]" 1 412 1 51 THR H 1 51 THR HB . . 3.710 3.625 3.620 3.632 . 0 0 "[ . 1 . 2]" 1 413 1 50 LEU HA 1 51 THR H . . 2.420 2.218 2.196 2.239 . 0 0 "[ . 1 . 2]" 1 414 1 51 THR H 1 54 GLU H . . 3.710 3.585 3.465 3.677 . 0 0 "[ . 1 . 2]" 1 415 1 41 CYS H 1 51 THR H . . 5.040 4.950 4.842 5.037 . 0 0 "[ . 1 . 2]" 1 416 1 50 LEU H 1 51 THR H . . 4.390 4.348 4.324 4.391 0.001 12 0 "[ . 1 . 2]" 1 417 1 63 THR H 1 63 THR MG . . 3.750 2.207 1.988 2.420 . 0 0 "[ . 1 . 2]" 1 418 1 62 ALA MB 1 63 THR H . . 3.260 2.596 2.385 2.877 . 0 0 "[ . 1 . 2]" 1 419 1 62 ALA HA 1 63 THR H . . 3.560 3.532 3.471 3.557 . 0 0 "[ . 1 . 2]" 1 420 1 63 THR H 1 63 THR HB . . 3.710 3.006 2.526 3.642 . 0 0 "[ . 1 . 2]" 1 421 1 62 ALA H 1 63 THR H . . 3.280 2.756 2.056 2.999 . 0 0 "[ . 1 . 2]" 1 422 1 72 ARG HG2 1 77 THR H . . 4.730 4.248 4.028 4.526 . 0 0 "[ . 1 . 2]" 1 423 1 76 GLU HB3 1 77 THR H . . 3.360 3.146 2.273 3.373 0.013 7 0 "[ . 1 . 2]" 1 424 1 77 THR H 1 80 HIS HB2 . . 3.630 3.427 3.118 3.597 . 0 0 "[ . 1 . 2]" 1 425 1 76 GLU HA 1 77 THR H . . 2.560 2.207 2.142 2.472 . 0 0 "[ . 1 . 2]" 1 426 1 77 THR H 1 77 THR HB . . 3.690 3.620 3.611 3.649 . 0 0 "[ . 1 . 2]" 1 427 1 72 ARG HA 1 77 THR H . . 4.980 4.322 4.129 4.949 . 0 0 "[ . 1 . 2]" 1 428 1 76 GLU H 1 77 THR H . . 4.510 4.382 4.304 4.496 . 0 0 "[ . 1 . 2]" 1 429 1 77 THR H 1 80 HIS H . . 4.290 4.201 3.964 4.304 0.014 13 0 "[ . 1 . 2]" 1 430 1 73 CYS H 1 77 THR H . . 5.500 4.544 4.192 5.492 . 0 0 "[ . 1 . 2]" 1 431 1 11 VAL H 1 11 VAL MG2 . . 3.850 2.617 1.954 3.785 . 0 0 "[ . 1 . 2]" 1 432 1 11 VAL H 1 11 VAL HB . . 3.690 2.984 2.495 3.637 . 0 0 "[ . 1 . 2]" 1 433 1 11 VAL H 1 12 ASP H . . 3.000 2.571 2.037 2.861 . 0 0 "[ . 1 . 2]" 1 434 1 19 VAL H 1 19 VAL MG2 . . 2.510 2.047 1.907 2.220 . 0 0 "[ . 1 . 2]" 1 435 1 19 VAL H 1 19 VAL MG1 . . 3.110 2.832 2.688 2.933 . 0 0 "[ . 1 . 2]" 1 436 1 19 VAL H 1 20 THR MG . . 4.140 3.938 3.761 4.094 . 0 0 "[ . 1 . 2]" 1 437 1 19 VAL H 1 28 LEU HB3 . . 5.410 5.226 5.000 5.400 . 0 0 "[ . 1 . 2]" 1 438 1 18 PRO HG2 1 19 VAL H . . 5.040 5.027 5.006 5.042 0.002 10 0 "[ . 1 . 2]" 1 439 1 19 VAL H 1 27 THR HA . . 3.090 2.556 2.316 2.716 . 0 0 "[ . 1 . 2]" 1 440 1 18 PRO HA 1 19 VAL H . . 2.400 2.161 2.152 2.175 . 0 0 "[ . 1 . 2]" 1 441 1 19 VAL H 1 25 LYS HA . . 5.500 5.369 5.190 5.501 0.001 10 0 "[ . 1 . 2]" 1 442 1 19 VAL H 1 26 GLY H . . 3.730 3.630 3.379 3.717 . 0 0 "[ . 1 . 2]" 1 443 1 19 VAL H 1 20 THR H . . 4.520 4.481 4.439 4.514 . 0 0 "[ . 1 . 2]" 1 444 1 52 VAL H 1 52 VAL MG2 . . 3.780 1.938 1.853 2.222 . 0 0 "[ . 1 . 2]" 1 445 1 42 ILE HG13 1 52 VAL H . . 5.410 4.592 4.230 4.849 . 0 0 "[ . 1 . 2]" 1 446 1 52 VAL H 1 53 LYS QB . . 5.500 4.771 4.650 4.915 . 0 0 "[ . 1 . 2]" 1 447 1 41 CYS HG 1 52 VAL H . . 3.560 3.546 3.469 3.594 0.034 18 0 "[ . 1 . 2]" 1 448 1 40 LYS HA 1 52 VAL H . . 4.760 4.187 4.011 4.332 . 0 0 "[ . 1 . 2]" 1 449 1 51 THR HB 1 52 VAL H . . 2.920 2.832 2.714 2.897 . 0 0 "[ . 1 . 2]" 1 450 1 52 VAL H 1 53 LYS H . . 3.120 2.945 2.889 3.006 . 0 0 "[ . 1 . 2]" 1 451 1 51 THR H 1 52 VAL H . . 4.630 4.619 4.610 4.626 . 0 0 "[ . 1 . 2]" 1 452 1 70 VAL H 1 70 VAL MG1 . . 3.520 2.229 2.148 2.350 . 0 0 "[ . 1 . 2]" 1 453 1 70 VAL H 1 71 ILE MD . . 5.210 5.168 4.948 5.230 0.020 15 0 "[ . 1 . 2]" 1 454 1 70 VAL H 1 71 ILE HB . . 5.140 4.870 4.771 4.941 . 0 0 "[ . 1 . 2]" 1 455 1 70 VAL H 1 71 ILE HG13 . . 4.350 4.277 4.128 4.353 0.003 16 0 "[ . 1 . 2]" 1 456 1 68 LYS HA 1 70 VAL H . . 4.750 4.748 4.695 4.776 0.026 9 0 "[ . 1 . 2]" 1 457 1 69 GLY HA3 1 70 VAL H . . 3.060 2.772 2.740 2.814 . 0 0 "[ . 1 . 2]" 1 458 1 69 GLY HA2 1 70 VAL H . . 3.550 3.550 3.541 3.557 0.007 12 0 "[ . 1 . 2]" 1 459 1 67 TRP HA 1 70 VAL H . . 3.370 3.297 3.190 3.356 . 0 0 "[ . 1 . 2]" 1 460 1 70 VAL H 1 70 VAL HA . . 2.870 2.839 2.835 2.851 . 0 0 "[ . 1 . 2]" 1 461 1 70 VAL H 1 71 ILE HA . . 5.500 5.228 5.161 5.261 . 0 0 "[ . 1 . 2]" 1 462 1 67 TRP H 1 70 VAL H . . 5.090 4.995 4.888 5.067 . 0 0 "[ . 1 . 2]" 1 463 1 49 TRP H 1 49 TRP HB2 . . 2.550 2.503 2.454 2.553 0.003 2 0 "[ . 1 . 2]" 1 464 1 48 ASP HA 1 49 TRP H . . 2.400 2.151 2.138 2.220 . 0 0 "[ . 1 . 2]" 1 465 1 49 TRP H 1 49 TRP HE3 . . 5.500 5.328 5.203 5.468 . 0 0 "[ . 1 . 2]" 1 466 1 48 ASP H 1 49 TRP H . . 4.610 4.483 4.407 4.613 0.003 7 0 "[ . 1 . 2]" 1 467 1 43 GLN HG3 1 49 TRP HE1 . . 4.060 3.709 3.299 3.925 . 0 0 "[ . 1 . 2]" 1 468 1 49 TRP HB2 1 49 TRP HE1 . . 4.820 4.815 4.805 4.825 0.005 15 0 "[ . 1 . 2]" 1 469 1 43 GLN HE21 1 49 TRP HE1 . . 3.230 2.389 2.195 2.637 . 0 0 "[ . 1 . 2]" 1 470 1 43 GLN HE22 1 49 TRP HE1 . . 3.670 3.226 2.951 3.554 . 0 0 "[ . 1 . 2]" 1 471 1 49 TRP H 1 49 TRP HE1 . . 4.750 4.453 4.274 4.759 0.009 12 0 "[ . 1 . 2]" 1 472 1 56 LEU MD2 1 67 TRP H . . 5.240 4.875 4.688 5.055 . 0 0 "[ . 1 . 2]" 1 473 1 56 LEU MD1 1 67 TRP H . . 5.240 4.077 3.773 4.293 . 0 0 "[ . 1 . 2]" 1 474 1 67 TRP H 1 70 VAL MG2 . . 5.110 4.194 4.065 4.333 . 0 0 "[ . 1 . 2]" 1 475 1 67 TRP H 1 68 LYS HB2 . . 5.410 4.580 4.322 4.751 . 0 0 "[ . 1 . 2]" 1 476 1 67 TRP H 1 71 ILE MD . . 5.500 5.122 4.972 5.295 . 0 0 "[ . 1 . 2]" 1 477 1 66 ASP HB3 1 67 TRP H . . 4.500 3.852 3.537 4.420 . 0 0 "[ . 1 . 2]" 1 478 1 66 ASP HB2 1 67 TRP H . . 4.500 4.304 3.712 4.466 . 0 0 "[ . 1 . 2]" 1 479 1 67 TRP H 1 67 TRP HB3 . . 2.880 2.759 2.640 2.876 . 0 0 "[ . 1 . 2]" 1 480 1 67 TRP H 1 67 TRP HB2 . . 3.640 3.601 3.583 3.636 . 0 0 "[ . 1 . 2]" 1 481 1 67 TRP H 1 67 TRP HA . . 2.910 2.874 2.834 2.916 0.006 11 0 "[ . 1 . 2]" 1 482 1 66 ASP HA 1 67 TRP H . . 2.490 2.145 2.139 2.157 . 0 0 "[ . 1 . 2]" 1 483 1 66 ASP H 1 67 TRP H . . 4.500 4.376 4.258 4.459 . 0 0 "[ . 1 . 2]" 1 484 1 67 TRP H 1 68 LYS HG3 . . 4.400 4.075 3.791 4.248 . 0 0 "[ . 1 . 2]" 1 485 1 37 ALA MB 1 67 TRP HE1 . . 3.530 3.348 3.011 3.532 0.002 5 0 "[ . 1 . 2]" 1 486 1 67 TRP H 1 67 TRP HE1 . . 4.340 4.048 3.939 4.154 . 0 0 "[ . 1 . 2]" 1 487 1 6 SER HA 1 7 GLY H . . 3.550 2.435 2.143 3.548 . 0 0 "[ . 1 . 2]" 1 488 1 21 CYS HG 1 22 GLY H . . 3.940 3.348 3.056 3.765 . 0 0 "[ . 1 . 2]" 1 489 1 21 CYS HB3 1 22 GLY H . . 4.410 4.369 4.283 4.407 . 0 0 "[ . 1 . 2]" 1 490 1 21 CYS HB2 1 22 GLY H . . 4.550 4.479 4.425 4.533 . 0 0 "[ . 1 . 2]" 1 491 1 22 GLY H 1 22 GLY HA2 . . 2.640 2.295 2.294 2.297 . 0 0 "[ . 1 . 2]" 1 492 1 22 GLY H 1 22 GLY HA3 . . 2.940 2.792 2.775 2.820 . 0 0 "[ . 1 . 2]" 1 493 1 21 CYS HA 1 22 GLY H . . 2.570 2.167 2.146 2.181 . 0 0 "[ . 1 . 2]" 1 494 1 21 CYS H 1 22 GLY H . . 4.130 4.041 3.967 4.117 . 0 0 "[ . 1 . 2]" 1 495 1 26 GLY H 1 42 ILE MG . . 4.400 4.027 3.690 4.190 . 0 0 "[ . 1 . 2]" 1 496 1 19 VAL MG2 1 26 GLY H . . 3.090 2.760 2.365 2.965 . 0 0 "[ . 1 . 2]" 1 497 1 19 VAL MG1 1 26 GLY H . . 5.500 5.191 4.834 5.337 . 0 0 "[ . 1 . 2]" 1 498 1 24 ALA MB 1 26 GLY H . . 5.410 5.068 4.917 5.341 . 0 0 "[ . 1 . 2]" 1 499 1 20 THR MG 1 26 GLY H . . 3.560 3.228 2.773 3.498 . 0 0 "[ . 1 . 2]" 1 500 1 25 LYS HG2 1 26 GLY H . . 5.230 4.503 4.308 5.168 . 0 0 "[ . 1 . 2]" 1 501 1 25 LYS HG3 1 26 GLY H . . 5.230 4.925 3.614 5.224 . 0 0 "[ . 1 . 2]" 1 502 1 19 VAL HB 1 26 GLY H . . 5.410 4.914 4.513 5.101 . 0 0 "[ . 1 . 2]" 1 503 1 26 GLY H 1 26 GLY HA3 . . 2.860 2.705 2.675 2.750 . 0 0 "[ . 1 . 2]" 1 504 1 26 GLY H 1 26 GLY HA2 . . 2.910 2.890 2.859 2.907 . 0 0 "[ . 1 . 2]" 1 505 1 18 PRO HA 1 26 GLY H . . 5.500 5.179 5.028 5.302 . 0 0 "[ . 1 . 2]" 1 506 1 26 GLY H 1 44 ASN HA . . 5.500 4.520 3.989 5.008 . 0 0 "[ . 1 . 2]" 1 507 1 25 LYS HA 1 26 GLY H . . 2.400 2.193 2.166 2.297 . 0 0 "[ . 1 . 2]" 1 508 1 20 THR HA 1 26 GLY H . . 3.570 3.298 3.160 3.463 . 0 0 "[ . 1 . 2]" 1 509 1 19 VAL HA 1 26 GLY H . . 5.320 5.130 4.867 5.291 . 0 0 "[ . 1 . 2]" 1 510 1 26 GLY H 1 55 PHE HZ . . 3.370 2.746 2.353 2.928 . 0 0 "[ . 1 . 2]" 1 511 1 36 GLY H 1 37 ALA MB . . 5.500 5.239 5.096 5.376 . 0 0 "[ . 1 . 2]" 1 512 1 36 GLY H 1 39 LYS QD . . 5.500 4.630 2.540 5.505 0.005 13 0 "[ . 1 . 2]" 1 513 1 33 LEU HG 1 36 GLY H . . 5.500 4.953 4.528 5.330 . 0 0 "[ . 1 . 2]" 1 514 1 34 LYS QB 1 36 GLY H . . 5.500 4.927 4.625 5.333 . 0 0 "[ . 1 . 2]" 1 515 1 35 GLN HB2 1 36 GLY H . . 3.310 2.413 2.171 2.637 . 0 0 "[ . 1 . 2]" 1 516 1 35 GLN HB3 1 36 GLY H . . 3.670 3.533 3.210 3.689 0.019 6 0 "[ . 1 . 2]" 1 517 1 35 GLN HG3 1 36 GLY H . . 4.980 4.293 3.895 4.986 0.006 10 0 "[ . 1 . 2]" 1 518 1 35 GLN HG2 1 36 GLY H . . 4.980 4.661 3.983 4.988 0.008 12 0 "[ . 1 . 2]" 1 519 1 36 GLY H 1 36 GLY HA2 . . 2.840 2.776 2.715 2.820 . 0 0 "[ . 1 . 2]" 1 520 1 36 GLY H 1 36 GLY HA3 . . 2.920 2.837 2.799 2.883 . 0 0 "[ . 1 . 2]" 1 521 1 43 GLN HG3 1 47 GLY H . . 5.040 4.808 4.611 4.959 . 0 0 "[ . 1 . 2]" 1 522 1 43 GLN HG2 1 47 GLY H . . 3.690 3.337 3.248 3.406 . 0 0 "[ . 1 . 2]" 1 523 1 43 GLN HB3 1 47 GLY H . . 5.500 5.314 5.159 5.463 . 0 0 "[ . 1 . 2]" 1 524 1 45 GLU QB 1 47 GLY H . . 4.800 4.456 4.296 4.736 . 0 0 "[ . 1 . 2]" 1 525 1 44 ASN HB3 1 47 GLY H . . 5.180 4.954 4.799 5.184 0.004 12 0 "[ . 1 . 2]" 1 526 1 47 GLY H 1 47 GLY HA2 . . 2.510 2.342 2.312 2.395 . 0 0 "[ . 1 . 2]" 1 527 1 47 GLY H 1 48 ASP HA . . 5.340 5.244 5.110 5.323 . 0 0 "[ . 1 . 2]" 1 528 1 43 GLN HA 1 47 GLY H . . 5.500 5.218 5.073 5.389 . 0 0 "[ . 1 . 2]" 1 529 1 44 ASN HA 1 47 GLY H . . 5.500 4.595 4.484 4.773 . 0 0 "[ . 1 . 2]" 1 530 1 43 GLN HE21 1 47 GLY H . . 5.500 5.437 5.342 5.500 . 0 0 "[ . 1 . 2]" 1 531 1 46 ALA H 1 47 GLY H . . 2.670 2.529 2.412 2.630 . 0 0 "[ . 1 . 2]" 1 532 1 47 GLY H 1 48 ASP H . . 2.880 2.757 2.616 2.846 . 0 0 "[ . 1 . 2]" 1 533 1 45 GLU H 1 47 GLY H . . 4.190 4.085 4.049 4.133 . 0 0 "[ . 1 . 2]" 1 534 1 44 ASN H 1 47 GLY H . . 4.300 3.962 3.751 4.304 0.004 7 0 "[ . 1 . 2]" 1 535 1 24 ALA MB 1 59 GLY H . . 3.240 2.938 2.407 3.212 . 0 0 "[ . 1 . 2]" 1 536 1 23 LYS QG 1 59 GLY H . . 5.500 4.883 4.348 5.508 0.008 13 0 "[ . 1 . 2]" 1 537 1 56 LEU HB3 1 59 GLY H . . 5.500 5.104 4.989 5.221 . 0 0 "[ . 1 . 2]" 1 538 1 59 GLY H 1 61 ARG HB2 . . 5.500 5.043 4.879 5.394 . 0 0 "[ . 1 . 2]" 1 539 1 21 CYS HB3 1 59 GLY H . . 4.390 4.152 3.936 4.389 . 0 0 "[ . 1 . 2]" 1 540 1 58 GLU HB3 1 59 GLY H . . 3.420 3.380 3.254 3.468 0.048 11 0 "[ . 1 . 2]" 1 541 1 58 GLU HB2 1 59 GLY H . . 3.230 2.908 2.789 3.030 . 0 0 "[ . 1 . 2]" 1 542 1 58 GLU HG3 1 59 GLY H . . 5.370 5.101 4.808 5.310 . 0 0 "[ . 1 . 2]" 1 543 1 58 GLU HG2 1 59 GLY H . . 5.370 4.873 4.762 5.255 . 0 0 "[ . 1 . 2]" 1 544 1 57 ASN HB2 1 59 GLY H . . 5.500 5.303 5.022 5.547 0.047 8 0 "[ . 1 . 2]" 1 545 1 57 ASN HB3 1 59 GLY H . . 5.500 5.188 4.878 5.408 . 0 0 "[ . 1 . 2]" 1 546 1 59 GLY H 1 59 GLY HA3 . . 2.470 2.337 2.308 2.360 . 0 0 "[ . 1 . 2]" 1 547 1 59 GLY H 1 59 GLY HA2 . . 2.930 2.905 2.867 2.924 . 0 0 "[ . 1 . 2]" 1 548 1 57 ASN HA 1 59 GLY H . . 4.500 4.130 4.011 4.307 . 0 0 "[ . 1 . 2]" 1 549 1 58 GLU H 1 59 GLY H . . 2.840 2.746 2.612 2.792 . 0 0 "[ . 1 . 2]" 1 550 1 59 GLY H 1 61 ARG H . . 4.070 3.786 3.578 3.907 . 0 0 "[ . 1 . 2]" 1 551 1 24 ALA MB 1 60 GLY H . . 4.930 4.756 4.363 4.937 0.007 20 0 "[ . 1 . 2]" 1 552 1 56 LEU HB3 1 60 GLY H . . 5.190 4.782 4.636 5.067 . 0 0 "[ . 1 . 2]" 1 553 1 60 GLY H 1 62 ALA MB . . 5.500 4.673 4.380 5.177 . 0 0 "[ . 1 . 2]" 1 554 1 60 GLY H 1 61 ARG HB3 . . 5.410 5.385 4.660 5.457 0.047 4 0 "[ . 1 . 2]" 1 555 1 57 ASN HB2 1 60 GLY H . . 5.500 5.523 5.507 5.581 0.081 14 0 "[ . 1 . 2]" 1 556 1 57 ASN HB3 1 60 GLY H . . 5.500 5.241 5.133 5.331 . 0 0 "[ . 1 . 2]" 1 557 1 59 GLY HA3 1 60 GLY H . . 3.210 2.881 2.849 2.926 . 0 0 "[ . 1 . 2]" 1 558 1 57 ASN HA 1 60 GLY H . . 3.780 3.201 3.135 3.393 . 0 0 "[ . 1 . 2]" 1 559 1 59 GLY H 1 60 GLY H . . 2.740 2.371 2.274 2.508 . 0 0 "[ . 1 . 2]" 1 560 1 58 GLU H 1 60 GLY H . . 4.740 4.127 4.073 4.192 . 0 0 "[ . 1 . 2]" 1 561 1 60 GLY H 1 62 ALA H . . 5.210 3.906 3.507 5.315 0.105 14 0 "[ . 1 . 2]" 1 562 1 60 GLY H 1 61 ARG H . . 2.480 1.937 1.777 2.018 . 0 0 "[ . 1 . 2]" 1 563 1 68 LYS HG3 1 69 GLY H . . 4.810 4.501 4.395 4.603 . 0 0 "[ . 1 . 2]" 1 564 1 69 GLY H 1 70 VAL MG2 . . 4.210 3.515 3.390 3.731 . 0 0 "[ . 1 . 2]" 1 565 1 69 GLY H 1 70 VAL MG1 . . 4.720 4.055 3.955 4.136 . 0 0 "[ . 1 . 2]" 1 566 1 68 LYS HB2 1 69 GLY H . . 3.690 3.048 2.948 3.195 . 0 0 "[ . 1 . 2]" 1 567 1 69 GLY H 1 79 ARG HB2 . . 5.210 5.061 4.792 5.192 . 0 0 "[ . 1 . 2]" 1 568 1 67 TRP HB2 1 69 GLY H . . 5.410 5.259 5.048 5.361 . 0 0 "[ . 1 . 2]" 1 569 1 69 GLY H 1 69 GLY HA3 . . 2.510 2.335 2.318 2.355 . 0 0 "[ . 1 . 2]" 1 570 1 67 TRP HA 1 69 GLY H . . 3.930 3.799 3.611 3.914 . 0 0 "[ . 1 . 2]" 1 571 1 66 ASP HA 1 69 GLY H . . 4.850 4.343 4.221 4.467 . 0 0 "[ . 1 . 2]" 1 572 1 69 GLY H 1 70 VAL H . . 2.570 2.434 2.335 2.536 . 0 0 "[ . 1 . 2]" 1 573 1 67 TRP H 1 69 GLY H . . 4.110 3.991 3.843 4.102 . 0 0 "[ . 1 . 2]" 1 574 1 69 GLY H 1 79 ARG H . . 5.280 5.238 5.001 5.299 0.019 20 0 "[ . 1 . 2]" 1 575 1 72 ARG HB3 1 75 GLY H . . 3.580 3.263 2.494 3.596 0.016 5 0 "[ . 1 . 2]" 1 576 1 72 ARG HB2 1 75 GLY H . . 4.240 4.010 3.778 4.152 . 0 0 "[ . 1 . 2]" 1 577 1 74 ASN HB3 1 75 GLY H . . 4.500 4.398 4.237 4.507 0.007 11 0 "[ . 1 . 2]" 1 578 1 75 GLY H 1 75 GLY HA2 . . 2.530 2.373 2.334 2.513 . 0 0 "[ . 1 . 2]" 1 579 1 74 ASN HA 1 75 GLY H . . 3.070 2.936 2.890 3.072 0.002 19 0 "[ . 1 . 2]" 1 580 1 73 CYS HA 1 75 GLY H . . 4.430 3.932 3.766 4.419 . 0 0 "[ . 1 . 2]" 1 581 1 73 CYS H 1 75 GLY H . . 4.100 3.806 3.178 4.079 . 0 0 "[ . 1 . 2]" 1 582 1 74 ASN H 1 75 GLY H . . 3.030 2.554 2.324 2.636 . 0 0 "[ . 1 . 2]" 1 583 1 85 GLY H 1 86 LEU MD1 . . 5.430 4.953 4.730 5.051 . 0 0 "[ . 1 . 2]" 1 584 1 85 GLY H 1 86 LEU MD2 . . 5.500 5.007 4.910 5.216 . 0 0 "[ . 1 . 2]" 1 585 1 85 GLY H 1 86 LEU HG . . 3.990 3.980 3.853 4.009 0.019 19 0 "[ . 1 . 2]" 1 586 1 84 LYS QD 1 85 GLY H . . 5.500 5.391 5.101 5.466 . 0 0 "[ . 1 . 2]" 1 587 1 84 LYS HB2 1 85 GLY H . . 3.880 3.781 3.512 3.849 . 0 0 "[ . 1 . 2]" 1 588 1 84 LYS HB3 1 85 GLY H . . 4.370 4.317 4.096 4.388 0.018 19 0 "[ . 1 . 2]" 1 589 1 83 GLN HB3 1 85 GLY H . . 5.060 4.895 4.803 4.989 . 0 0 "[ . 1 . 2]" 1 590 1 83 GLN HB2 1 85 GLY H . . 4.810 4.763 4.681 4.802 . 0 0 "[ . 1 . 2]" 1 591 1 85 GLY H 1 85 GLY HA2 . . 2.480 2.298 2.295 2.322 . 0 0 "[ . 1 . 2]" 1 592 1 85 GLY H 1 85 GLY HA3 . . 2.910 2.822 2.804 2.889 . 0 0 "[ . 1 . 2]" 1 593 1 84 LYS HA 1 85 GLY H . . 3.330 3.153 3.114 3.302 . 0 0 "[ . 1 . 2]" 1 594 1 85 GLY H 1 86 LEU HA . . 5.330 5.256 5.082 5.298 . 0 0 "[ . 1 . 2]" 1 595 1 85 GLY H 1 87 LEU H . . 4.240 4.195 4.084 4.236 . 0 0 "[ . 1 . 2]" 1 596 1 83 GLN H 1 85 GLY H . . 4.170 4.030 3.865 4.085 . 0 0 "[ . 1 . 2]" 1 597 1 37 ALA MB 1 38 SER H . . 3.530 3.210 2.644 3.522 . 0 0 "[ . 1 . 2]" 1 598 1 36 GLY HA2 1 38 SER H . . 4.000 3.815 3.631 3.896 . 0 0 "[ . 1 . 2]" 1 599 1 38 SER H 1 38 SER HB3 . . 3.720 3.064 2.367 3.653 . 0 0 "[ . 1 . 2]" 1 600 1 38 SER H 1 38 SER HB2 . . 3.720 2.863 2.346 3.713 . 0 0 "[ . 1 . 2]" 1 601 1 63 THR HB 1 64 SER H . . 4.500 3.935 3.434 4.458 . 0 0 "[ . 1 . 2]" 1 602 1 64 SER H 1 70 VAL MG1 . . 5.460 4.190 3.863 5.012 . 0 0 "[ . 1 . 2]" 1 603 1 63 THR MG 1 64 SER H . . 4.290 2.879 1.877 4.256 . 0 0 "[ . 1 . 2]" 1 604 1 64 SER H 1 64 SER HB3 . . 3.570 2.968 2.239 3.561 . 0 0 "[ . 1 . 2]" 1 605 1 64 SER H 1 64 SER HB2 . . 3.570 2.612 2.189 3.590 0.020 14 0 "[ . 1 . 2]" 1 606 1 61 ARG HB3 1 64 SER H . . 4.340 3.655 3.251 4.285 . 0 0 "[ . 1 . 2]" 1 607 1 62 ALA MB 1 64 SER H . . 4.820 4.414 4.135 4.662 . 0 0 "[ . 1 . 2]" 1 608 1 87 LEU HG 1 89 SER H . . 4.330 2.484 1.897 3.885 . 0 0 "[ . 1 . 2]" 1 609 1 88 PHE HB3 1 89 SER H . . 3.760 3.719 3.689 3.745 . 0 0 "[ . 1 . 2]" 1 610 1 88 PHE HB2 1 89 SER H . . 4.060 4.029 3.967 4.072 0.012 19 0 "[ . 1 . 2]" 1 611 1 89 SER H 1 89 SER HB3 . . 4.090 3.546 2.969 4.065 . 0 0 "[ . 1 . 2]" 1 612 1 89 SER H 1 89 SER HB2 . . 4.090 3.390 2.939 3.990 . 0 0 "[ . 1 . 2]" 1 613 1 89 SER H 1 89 SER HA . . 2.900 2.280 2.279 2.283 . 0 0 "[ . 1 . 2]" 1 614 1 88 PHE QD 1 89 SER H . . 3.600 1.909 1.874 2.005 . 0 0 "[ . 1 . 2]" 1 615 1 88 PHE H 1 89 SER H . . 3.230 2.514 2.167 2.807 . 0 0 "[ . 1 . 2]" 1 616 1 91 PRO QG 1 92 SER H . . 5.480 3.930 1.915 4.748 . 0 0 "[ . 1 . 2]" 1 617 1 92 SER H 1 92 SER QB . . 3.470 2.567 2.209 3.165 . 0 0 "[ . 1 . 2]" 1 618 1 91 PRO QG 1 93 SER H . . 5.500 4.797 2.668 5.500 . 0 0 "[ . 1 . 2]" 1 619 1 92 SER QB 1 93 SER H . . 4.510 3.545 2.496 4.052 . 0 0 "[ . 1 . 2]" 1 620 1 92 SER H 1 93 SER H . . 4.470 3.609 2.126 4.452 . 0 0 "[ . 1 . 2]" 1 621 1 23 LYS H 1 24 ALA MB . . 3.780 3.655 3.503 3.764 . 0 0 "[ . 1 . 2]" 1 622 1 23 LYS H 1 23 LYS QG . . 2.800 2.066 1.878 2.319 . 0 0 "[ . 1 . 2]" 1 623 1 23 LYS H 1 23 LYS QD . . 4.360 3.644 2.114 4.233 . 0 0 "[ . 1 . 2]" 1 624 1 23 LYS H 1 59 GLY HA3 . . 3.600 2.749 2.185 3.328 . 0 0 "[ . 1 . 2]" 1 625 1 22 GLY HA2 1 23 LYS H . . 3.400 3.367 3.336 3.420 0.020 17 0 "[ . 1 . 2]" 1 626 1 23 LYS H 1 59 GLY HA2 . . 3.310 2.394 1.900 2.873 . 0 0 "[ . 1 . 2]" 1 627 1 22 GLY HA3 1 23 LYS H . . 2.400 2.159 2.147 2.190 . 0 0 "[ . 1 . 2]" 1 628 1 24 ALA MB 1 25 LYS H . . 2.950 2.848 2.629 2.956 0.006 12 0 "[ . 1 . 2]" 1 629 1 25 LYS H 1 25 LYS HB2 . . 3.940 2.945 2.689 3.971 0.031 2 0 "[ . 1 . 2]" 1 630 1 25 LYS H 1 45 GLU HG3 . . 5.500 4.951 4.032 5.503 0.003 7 0 "[ . 1 . 2]" 1 631 1 24 ALA HA 1 25 LYS H . . 2.400 2.248 2.201 2.318 . 0 0 "[ . 1 . 2]" 1 632 1 25 LYS H 1 55 PHE HZ . . 4.440 4.208 3.911 4.444 0.004 19 0 "[ . 1 . 2]" 1 633 1 25 LYS H 1 55 PHE QE . . 3.560 3.093 2.709 3.528 . 0 0 "[ . 1 . 2]" 1 634 1 39 LYS H 1 40 LYS H . . 4.630 4.600 4.552 4.632 0.002 10 0 "[ . 1 . 2]" 1 635 1 25 LYS H 1 26 GLY H . . 4.440 4.310 4.258 4.385 . 0 0 "[ . 1 . 2]" 1 636 1 32 LYS H 1 32 LYS HA . . 2.930 2.897 2.884 2.908 . 0 0 "[ . 1 . 2]" 1 637 1 31 GLU HA 1 32 LYS H . . 3.540 3.536 3.514 3.547 0.007 5 0 "[ . 1 . 2]" 1 638 1 29 PHE HB2 1 32 LYS H . . 3.430 2.901 2.790 3.040 . 0 0 "[ . 1 . 2]" 1 639 1 29 PHE HB3 1 32 LYS H . . 3.090 2.642 2.527 2.769 . 0 0 "[ . 1 . 2]" 1 640 1 31 GLU HG2 1 32 LYS H . . 4.640 2.819 1.898 3.360 . 0 0 "[ . 1 . 2]" 1 641 1 31 GLU HG3 1 32 LYS H . . 4.640 2.919 1.908 4.011 . 0 0 "[ . 1 . 2]" 1 642 1 32 LYS H 1 32 LYS HB2 . . 2.630 2.231 2.205 2.315 . 0 0 "[ . 1 . 2]" 1 643 1 32 LYS H 1 33 LEU HB2 . . 4.570 4.464 4.325 4.573 0.003 11 0 "[ . 1 . 2]" 1 644 1 32 LYS H 1 32 LYS HG3 . . 3.180 3.111 2.911 3.184 0.004 14 0 "[ . 1 . 2]" 1 645 1 32 LYS H 1 41 CYS HA . . 5.240 4.964 4.638 5.181 . 0 0 "[ . 1 . 2]" 1 646 1 30 GLN H 1 32 LYS H . . 4.460 4.386 4.251 4.454 . 0 0 "[ . 1 . 2]" 1 647 1 31 GLU H 1 32 LYS H . . 2.810 2.702 2.560 2.779 . 0 0 "[ . 1 . 2]" 1 648 1 32 LYS H 1 34 LYS H . . 4.320 4.167 4.018 4.322 0.002 19 0 "[ . 1 . 2]" 1 649 1 34 LYS H 1 34 LYS HA . . 2.820 2.759 2.719 2.796 . 0 0 "[ . 1 . 2]" 1 650 1 33 LEU HB3 1 34 LYS H . . 3.030 2.716 2.510 2.866 . 0 0 "[ . 1 . 2]" 1 651 1 34 LYS H 1 34 LYS QD . . 4.390 3.954 3.408 4.371 . 0 0 "[ . 1 . 2]" 1 652 1 34 LYS H 1 34 LYS HG2 . . 3.760 3.133 2.172 3.738 . 0 0 "[ . 1 . 2]" 1 653 1 34 LYS H 1 34 LYS HG3 . . 3.760 2.578 2.138 3.776 0.016 17 0 "[ . 1 . 2]" 1 654 1 33 LEU MD1 1 34 LYS H . . 4.930 4.631 4.487 4.779 . 0 0 "[ . 1 . 2]" 1 655 1 33 LEU MD2 1 34 LYS H . . 4.930 4.441 4.036 4.637 . 0 0 "[ . 1 . 2]" 1 656 1 39 LYS H 1 39 LYS HG3 . . 4.090 3.194 2.601 3.543 . 0 0 "[ . 1 . 2]" 1 657 1 39 LYS H 1 39 LYS QD . . 4.470 3.423 1.874 4.480 0.010 12 0 "[ . 1 . 2]" 1 658 1 36 GLY HA2 1 39 LYS H . . 5.000 4.750 4.383 5.000 0.000 15 0 "[ . 1 . 2]" 1 659 1 38 SER HB3 1 39 LYS H . . 4.290 3.569 2.740 4.129 . 0 0 "[ . 1 . 2]" 1 660 1 39 LYS H 1 39 LYS HA . . 2.920 2.860 2.808 2.922 0.002 15 0 "[ . 1 . 2]" 1 661 1 36 GLY HA3 1 39 LYS H . . 4.100 3.615 3.257 3.947 . 0 0 "[ . 1 . 2]" 1 662 1 38 SER H 1 39 LYS H . . 2.810 2.268 1.939 2.829 0.019 5 0 "[ . 1 . 2]" 1 663 1 40 LYS H 1 40 LYS HG3 . . 3.650 3.138 3.067 3.205 . 0 0 "[ . 1 . 2]" 1 664 1 40 LYS H 1 40 LYS HB2 . . 2.720 2.672 2.662 2.697 . 0 0 "[ . 1 . 2]" 1 665 1 25 LYS H 1 45 GLU HG2 . . 5.500 4.912 4.100 5.511 0.011 18 0 "[ . 1 . 2]" 1 666 1 40 LYS H 1 49 TRP HB3 . . 5.120 5.062 4.946 5.127 0.007 15 0 "[ . 1 . 2]" 1 667 1 40 LYS H 1 49 TRP HB2 . . 5.500 5.463 5.298 5.510 0.010 18 0 "[ . 1 . 2]" 1 668 1 39 LYS HA 1 40 LYS H . . 2.410 2.248 2.185 2.417 0.007 13 0 "[ . 1 . 2]" 1 669 1 40 LYS H 1 41 CYS H . . 4.420 4.338 4.311 4.364 . 0 0 "[ . 1 . 2]" 1 670 1 52 VAL MG2 1 53 LYS H . . 3.950 3.928 3.851 3.988 0.038 9 0 "[ . 1 . 2]" 1 671 1 51 THR MG 1 53 LYS H . . 4.560 4.266 4.195 4.379 . 0 0 "[ . 1 . 2]" 1 672 1 52 VAL HB 1 53 LYS H . . 3.330 2.878 2.703 3.008 . 0 0 "[ . 1 . 2]" 1 673 1 53 LYS H 1 53 LYS QB . . 2.400 2.258 2.189 2.316 . 0 0 "[ . 1 . 2]" 1 674 1 53 LYS H 1 54 GLU HB2 . . 5.040 4.294 4.189 4.454 . 0 0 "[ . 1 . 2]" 1 675 1 53 LYS H 1 54 GLU QG . . 5.500 4.805 4.486 5.554 0.054 11 0 "[ . 1 . 2]" 1 676 1 52 VAL HA 1 53 LYS H . . 3.560 3.488 3.457 3.522 . 0 0 "[ . 1 . 2]" 1 677 1 51 THR HB 1 53 LYS H . . 3.120 2.867 2.740 3.077 . 0 0 "[ . 1 . 2]" 1 678 1 51 THR HG1 1 53 LYS H . . 3.940 2.845 1.902 3.769 . 0 0 "[ . 1 . 2]" 1 679 1 51 THR HA 1 53 LYS H . . 4.370 3.956 3.882 4.088 . 0 0 "[ . 1 . 2]" 1 680 1 65 LYS H 1 65 LYS QB . . 3.370 2.413 2.227 2.874 . 0 0 "[ . 1 . 2]" 1 681 1 64 SER HA 1 65 LYS H . . 2.980 2.233 2.139 2.314 . 0 0 "[ . 1 . 2]" 1 682 1 64 SER H 1 65 LYS H . . 4.640 4.597 4.373 4.642 0.002 6 0 "[ . 1 . 2]" 1 683 1 68 LYS H 1 68 LYS HG3 . . 2.650 2.314 2.089 2.474 . 0 0 "[ . 1 . 2]" 1 684 1 68 LYS H 1 68 LYS HG2 . . 3.710 3.613 3.507 3.698 . 0 0 "[ . 1 . 2]" 1 685 1 68 LYS H 1 68 LYS HB3 . . 3.970 3.583 3.571 3.595 . 0 0 "[ . 1 . 2]" 1 686 1 68 LYS H 1 68 LYS HB2 . . 2.630 2.431 2.357 2.543 . 0 0 "[ . 1 . 2]" 1 687 1 68 LYS H 1 78 LEU HB2 . . 5.070 4.913 4.743 5.072 0.002 18 0 "[ . 1 . 2]" 1 688 1 67 TRP HB3 1 68 LYS H . . 4.160 4.104 4.047 4.153 . 0 0 "[ . 1 . 2]" 1 689 1 67 TRP HB2 1 68 LYS H . . 4.040 3.836 3.665 3.905 . 0 0 "[ . 1 . 2]" 1 690 1 68 LYS H 1 68 LYS HA . . 2.890 2.826 2.800 2.835 . 0 0 "[ . 1 . 2]" 1 691 1 67 TRP HA 1 68 LYS H . . 3.510 3.483 3.460 3.512 0.002 20 0 "[ . 1 . 2]" 1 692 1 66 ASP HA 1 68 LYS H . . 3.750 3.592 3.516 3.676 . 0 0 "[ . 1 . 2]" 1 693 1 67 TRP HZ3 1 68 LYS H . . 5.500 5.417 5.148 5.509 0.009 8 0 "[ . 1 . 2]" 1 694 1 67 TRP H 1 68 LYS H . . 2.800 2.415 2.216 2.560 . 0 0 "[ . 1 . 2]" 1 695 1 84 LYS H 1 86 LEU MD1 . . 5.040 3.971 3.840 4.096 . 0 0 "[ . 1 . 2]" 1 696 1 84 LYS H 1 86 LEU HG . . 4.220 3.945 3.829 4.217 . 0 0 "[ . 1 . 2]" 1 697 1 84 LYS H 1 84 LYS QD . . 4.610 3.407 3.296 3.790 . 0 0 "[ . 1 . 2]" 1 698 1 84 LYS H 1 84 LYS HB2 . . 2.600 2.374 2.280 2.535 . 0 0 "[ . 1 . 2]" 1 699 1 84 LYS H 1 84 LYS HB3 . . 3.620 3.594 3.553 3.623 0.003 19 0 "[ . 1 . 2]" 1 700 1 83 GLN HB3 1 84 LYS H . . 3.860 3.629 3.431 3.885 0.025 19 0 "[ . 1 . 2]" 1 701 1 83 GLN HB2 1 84 LYS H . . 3.060 2.762 2.656 2.870 . 0 0 "[ . 1 . 2]" 1 702 1 83 GLN HG3 1 84 LYS H . . 5.240 4.610 4.414 4.990 . 0 0 "[ . 1 . 2]" 1 703 1 83 GLN HG2 1 84 LYS H . . 5.240 4.862 4.234 5.068 . 0 0 "[ . 1 . 2]" 1 704 1 81 LEU HA 1 84 LYS H . . 3.590 3.464 3.349 3.583 . 0 0 "[ . 1 . 2]" 1 705 1 84 LYS H 1 84 LYS HA . . 2.900 2.889 2.877 2.898 . 0 0 "[ . 1 . 2]" 1 706 1 84 LYS H 1 85 GLY H . . 2.750 2.659 2.510 2.722 . 0 0 "[ . 1 . 2]" 1 707 1 81 LEU H 1 84 LYS H . . 5.060 4.963 4.799 5.049 . 0 0 "[ . 1 . 2]" 1 708 1 83 GLN H 1 84 LYS H . . 2.750 2.706 2.538 2.750 . 2 0 "[ . 1 . 2]" 1 709 1 82 GLU H 1 84 LYS H . . 4.270 4.161 4.030 4.239 . 0 0 "[ . 1 . 2]" 1 710 1 16 THR MG 1 17 LEU H . . 3.880 3.844 3.761 3.890 0.010 19 0 "[ . 1 . 2]" 1 711 1 17 LEU H 1 27 THR MG . . 3.000 2.423 2.189 2.590 . 0 0 "[ . 1 . 2]" 1 712 1 17 LEU H 1 17 LEU HB2 . . 2.890 2.813 2.777 2.865 . 0 0 "[ . 1 . 2]" 1 713 1 17 LEU H 1 17 LEU HB3 . . 3.910 3.859 3.839 3.890 . 0 0 "[ . 1 . 2]" 1 714 1 17 LEU H 1 28 LEU HB3 . . 3.430 3.439 3.396 3.460 0.030 7 0 "[ . 1 . 2]" 1 715 1 17 LEU H 1 18 PRO HD3 . . 4.790 4.747 4.707 4.804 0.014 6 0 "[ . 1 . 2]" 1 716 1 16 THR HA 1 17 LEU H . . 2.400 2.220 2.190 2.266 . 0 0 "[ . 1 . 2]" 1 717 1 16 THR H 1 17 LEU H . . 4.480 4.431 4.359 4.468 . 0 0 "[ . 1 . 2]" 1 718 1 28 LEU H 1 42 ILE MG . . 4.890 4.427 4.040 4.680 . 0 0 "[ . 1 . 2]" 1 719 1 19 VAL MG2 1 28 LEU H . . 2.960 2.705 2.432 2.902 . 0 0 "[ . 1 . 2]" 1 720 1 27 THR MG 1 28 LEU H . . 2.850 2.471 2.080 2.753 . 0 0 "[ . 1 . 2]" 1 721 1 28 LEU H 1 28 LEU HB2 . . 3.000 2.903 2.842 2.965 . 0 0 "[ . 1 . 2]" 1 722 1 17 LEU HB2 1 28 LEU H . . 3.780 3.716 3.556 3.792 0.012 4 0 "[ . 1 . 2]" 1 723 1 17 LEU HB3 1 28 LEU H . . 5.060 5.003 4.854 5.066 0.006 4 0 "[ . 1 . 2]" 1 724 1 28 LEU H 1 28 LEU HB3 . . 2.680 2.327 2.295 2.388 . 0 0 "[ . 1 . 2]" 1 725 1 28 LEU H 1 42 ILE HA . . 5.500 4.411 4.218 4.598 . 0 0 "[ . 1 . 2]" 1 726 1 17 LEU H 1 28 LEU H . . 3.040 2.986 2.894 3.046 0.006 15 0 "[ . 1 . 2]" 1 727 1 27 THR H 1 28 LEU H . . 4.300 4.174 4.110 4.269 . 0 0 "[ . 1 . 2]" 1 728 1 19 VAL H 1 28 LEU H . . 3.820 3.665 3.422 3.834 0.014 9 0 "[ . 1 . 2]" 1 729 1 28 LEU H 1 29 PHE H . . 4.570 4.532 4.498 4.548 . 0 0 "[ . 1 . 2]" 1 730 1 18 PRO HA 1 28 LEU H . . 4.260 4.132 4.016 4.256 . 0 0 "[ . 1 . 2]" 1 731 1 33 LEU H 1 33 LEU MD2 . . 4.390 4.308 4.266 4.342 . 0 0 "[ . 1 . 2]" 1 732 1 33 LEU H 1 33 LEU MD1 . . 4.390 4.133 3.834 4.286 . 0 0 "[ . 1 . 2]" 1 733 1 33 LEU H 1 33 LEU HB2 . . 3.050 2.668 2.379 2.860 . 0 0 "[ . 1 . 2]" 1 734 1 33 LEU H 1 33 LEU HB3 . . 2.900 2.555 2.451 2.681 . 0 0 "[ . 1 . 2]" 1 735 1 33 LEU H 1 41 CYS HG . . 5.500 5.460 5.125 5.541 0.041 18 0 "[ . 1 . 2]" 1 736 1 33 LEU H 1 41 CYS HB2 . . 4.180 3.852 3.543 4.007 . 0 0 "[ . 1 . 2]" 1 737 1 29 PHE HB2 1 33 LEU H . . 4.540 4.336 4.119 4.533 . 0 0 "[ . 1 . 2]" 1 738 1 30 GLN HA 1 33 LEU H . . 3.380 3.240 3.092 3.351 . 0 0 "[ . 1 . 2]" 1 739 1 31 GLU HA 1 33 LEU H . . 4.310 3.952 3.798 4.261 . 0 0 "[ . 1 . 2]" 1 740 1 33 LEU H 1 41 CYS HA . . 5.500 5.370 5.153 5.511 0.011 19 0 "[ . 1 . 2]" 1 741 1 32 LYS H 1 33 LEU H . . 2.510 2.385 2.281 2.463 . 0 0 "[ . 1 . 2]" 1 742 1 33 LEU H 1 34 LYS H . . 2.760 2.256 2.171 2.536 . 0 0 "[ . 1 . 2]" 1 743 1 31 GLU H 1 33 LEU H . . 3.850 3.746 3.626 3.857 0.007 3 0 "[ . 1 . 2]" 1 744 1 33 LEU H 1 35 GLN H . . 5.130 4.111 3.691 4.442 . 0 0 "[ . 1 . 2]" 1 745 1 33 LEU H 1 88 PHE QE . . 5.500 4.841 4.644 5.021 . 0 0 "[ . 1 . 2]" 1 746 1 42 ILE MG 1 50 LEU H . . 4.060 3.901 3.763 4.031 . 0 0 "[ . 1 . 2]" 1 747 1 50 LEU H 1 50 LEU MD2 . . 4.340 3.926 2.231 4.319 . 0 0 "[ . 1 . 2]" 1 748 1 42 ILE HB 1 50 LEU H . . 3.480 3.237 3.129 3.386 . 0 0 "[ . 1 . 2]" 1 749 1 50 LEU H 1 50 LEU HB2 . . 2.930 2.827 2.744 2.872 . 0 0 "[ . 1 . 2]" 1 750 1 42 ILE HG13 1 50 LEU H . . 5.500 5.065 4.909 5.239 . 0 0 "[ . 1 . 2]" 1 751 1 50 LEU H 1 54 GLU HB2 . . 5.500 5.473 5.322 5.537 0.037 16 0 "[ . 1 . 2]" 1 752 1 49 TRP HB3 1 50 LEU H . . 3.280 2.733 2.581 2.981 . 0 0 "[ . 1 . 2]" 1 753 1 49 TRP HB2 1 50 LEU H . . 4.020 3.828 3.706 4.024 0.004 12 0 "[ . 1 . 2]" 1 754 1 40 LYS HA 1 50 LEU H . . 4.330 3.778 3.629 3.934 . 0 0 "[ . 1 . 2]" 1 755 1 43 GLN HA 1 50 LEU H . . 3.620 3.455 3.262 3.621 0.001 15 0 "[ . 1 . 2]" 1 756 1 49 TRP HA 1 50 LEU H . . 2.400 2.291 2.213 2.346 . 0 0 "[ . 1 . 2]" 1 757 1 49 TRP HE3 1 50 LEU H . . 3.840 3.730 3.607 3.846 0.006 7 0 "[ . 1 . 2]" 1 758 1 41 CYS H 1 50 LEU H . . 4.180 3.890 3.789 4.090 . 0 0 "[ . 1 . 2]" 1 759 1 49 TRP H 1 50 LEU H . . 4.640 4.621 4.563 4.641 0.001 2 0 "[ . 1 . 2]" 1 760 1 42 ILE H 1 50 LEU H . . 3.160 3.084 2.973 3.181 0.021 7 0 "[ . 1 . 2]" 1 761 1 56 LEU H 1 71 ILE MD . . 4.650 4.389 4.164 4.657 0.007 6 0 "[ . 1 . 2]" 1 762 1 56 LEU H 1 56 LEU HB3 . . 3.570 3.572 3.559 3.583 0.013 2 0 "[ . 1 . 2]" 1 763 1 56 LEU H 1 56 LEU HG . . 2.950 1.904 1.855 2.015 . 0 0 "[ . 1 . 2]" 1 764 1 55 PHE HB2 1 56 LEU H . . 3.910 3.795 3.742 3.854 . 0 0 "[ . 1 . 2]" 1 765 1 55 PHE HB3 1 56 LEU H . . 2.860 2.528 2.426 2.643 . 0 0 "[ . 1 . 2]" 1 766 1 53 LYS HA 1 56 LEU H . . 3.770 3.643 3.430 3.748 . 0 0 "[ . 1 . 2]" 1 767 1 56 LEU H 1 56 LEU HA . . 2.830 2.806 2.795 2.818 . 0 0 "[ . 1 . 2]" 1 768 1 56 LEU H 1 57 ASN H . . 2.930 2.799 2.715 2.906 . 0 0 "[ . 1 . 2]" 1 769 1 56 LEU H 1 58 GLU H . . 4.240 4.128 4.045 4.163 . 0 0 "[ . 1 . 2]" 1 770 1 55 PHE H 1 56 LEU H . . 3.080 2.975 2.786 3.048 . 0 0 "[ . 1 . 2]" 1 771 1 78 LEU H 1 78 LEU MD2 . . 3.590 3.129 3.003 3.379 . 0 0 "[ . 1 . 2]" 1 772 1 78 LEU H 1 78 LEU MD1 . . 3.590 3.516 3.458 3.585 . 0 0 "[ . 1 . 2]" 1 773 1 77 THR MG 1 78 LEU H . . 4.150 3.858 3.750 3.966 . 0 0 "[ . 1 . 2]" 1 774 1 78 LEU H 1 79 ARG HB2 . . 5.500 5.415 5.185 5.522 0.022 5 0 "[ . 1 . 2]" 1 775 1 78 LEU H 1 78 LEU HG . . 3.430 2.003 1.897 2.175 . 0 0 "[ . 1 . 2]" 1 776 1 78 LEU H 1 78 LEU HB2 . . 3.050 2.657 2.563 2.751 . 0 0 "[ . 1 . 2]" 1 777 1 68 LYS HA 1 78 LEU H . . 4.080 3.935 3.667 4.093 0.013 15 0 "[ . 1 . 2]" 1 778 1 78 LEU H 1 79 ARG HA . . 5.500 5.491 5.436 5.526 0.026 11 0 "[ . 1 . 2]" 1 779 1 78 LEU H 1 78 LEU HA . . 2.910 2.715 2.688 2.751 . 0 0 "[ . 1 . 2]" 1 780 1 77 THR HA 1 78 LEU H . . 2.440 2.214 2.160 2.267 . 0 0 "[ . 1 . 2]" 1 781 1 77 THR HB 1 78 LEU H . . 3.250 2.946 2.750 3.195 . 0 0 "[ . 1 . 2]" 1 782 1 72 ARG HA 1 78 LEU H . . 3.410 3.225 2.909 3.380 . 0 0 "[ . 1 . 2]" 1 783 1 71 ILE H 1 78 LEU H . . 5.370 5.115 4.888 5.282 . 0 0 "[ . 1 . 2]" 1 784 1 78 LEU H 1 79 ARG H . . 3.040 2.950 2.878 2.993 . 0 0 "[ . 1 . 2]" 1 785 1 73 CYS H 1 78 LEU H . . 4.450 3.842 3.587 4.295 . 0 0 "[ . 1 . 2]" 1 786 1 80 HIS HB3 1 81 LEU H . . 2.890 2.454 2.348 2.556 . 0 0 "[ . 1 . 2]" 1 787 1 81 LEU H 1 82 GLU H . . 2.740 2.710 2.619 2.751 0.011 20 0 "[ . 1 . 2]" 1 788 1 80 HIS H 1 81 LEU H . . 2.800 2.757 2.710 2.811 0.011 14 0 "[ . 1 . 2]" 1 789 1 81 LEU H 1 81 LEU HA . . 2.840 2.803 2.788 2.825 . 0 0 "[ . 1 . 2]" 1 790 1 79 ARG HA 1 81 LEU H . . 4.690 4.578 4.391 4.701 0.011 17 0 "[ . 1 . 2]" 1 791 1 81 LEU H 1 82 GLU HB3 . . 5.060 4.920 4.726 5.070 0.010 19 0 "[ . 1 . 2]" 1 792 1 81 LEU H 1 81 LEU HB2 . . 2.630 2.545 2.470 2.623 . 0 0 "[ . 1 . 2]" 1 793 1 81 LEU H 1 81 LEU HG . . 2.640 2.128 2.008 2.264 . 0 0 "[ . 1 . 2]" 1 794 1 86 LEU H 1 86 LEU MD1 . . 4.090 3.633 3.355 3.737 . 0 0 "[ . 1 . 2]" 1 795 1 86 LEU H 1 86 LEU HG . . 3.310 2.413 2.235 2.496 . 0 0 "[ . 1 . 2]" 1 796 1 84 LYS HB2 1 86 LEU H . . 3.600 3.466 3.005 3.571 . 0 0 "[ . 1 . 2]" 1 797 1 84 LYS HB3 1 86 LEU H . . 4.730 4.339 4.148 4.467 . 0 0 "[ . 1 . 2]" 1 798 1 86 LEU H 1 87 LEU HB2 . . 4.870 4.676 4.417 4.875 0.005 19 0 "[ . 1 . 2]" 1 799 1 85 GLY HA2 1 86 LEU H . . 3.110 2.928 2.888 3.068 . 0 0 "[ . 1 . 2]" 1 800 1 82 GLU HA 1 86 LEU H . . 3.700 3.097 2.952 3.626 . 0 0 "[ . 1 . 2]" 1 801 1 86 LEU H 1 86 LEU HA . . 2.940 2.934 2.927 2.943 0.003 20 0 "[ . 1 . 2]" 1 802 1 84 LYS H 1 86 LEU H . . 3.680 3.595 3.474 3.665 . 0 0 "[ . 1 . 2]" 1 803 1 87 LEU H 1 87 LEU MD2 . . 4.450 4.323 4.242 4.398 . 0 0 "[ . 1 . 2]" 1 804 1 87 LEU H 1 87 LEU HB2 . . 3.020 2.754 2.511 2.914 . 0 0 "[ . 1 . 2]" 1 805 1 81 LEU HB3 1 87 LEU H . . 3.980 3.384 2.985 3.859 . 0 0 "[ . 1 . 2]" 1 806 1 86 LEU HB3 1 87 LEU H . . 3.980 3.858 3.697 3.937 . 0 0 "[ . 1 . 2]" 1 807 1 82 GLU HB3 1 87 LEU H . . 5.500 5.018 4.758 5.358 . 0 0 "[ . 1 . 2]" 1 808 1 81 LEU HA 1 87 LEU H . . 5.000 4.477 4.036 4.860 . 0 0 "[ . 1 . 2]" 1 809 1 82 GLU HA 1 87 LEU H . . 2.900 2.140 1.902 2.523 . 0 0 "[ . 1 . 2]" 1 810 1 86 LEU H 1 87 LEU H . . 2.600 2.136 2.036 2.254 . 0 0 "[ . 1 . 2]" 1 811 1 87 LEU H 1 88 PHE H . . 4.650 4.391 4.102 4.548 . 0 0 "[ . 1 . 2]" 1 812 1 30 GLN H 1 30 GLN HE22 . . 5.500 5.549 5.518 5.585 0.085 14 0 "[ . 1 . 2]" 1 813 1 30 GLN HE22 1 88 PHE HA . . 5.320 4.923 4.449 5.300 . 0 0 "[ . 1 . 2]" 1 814 1 17 LEU HG 1 30 GLN HE22 . . 4.900 4.772 4.516 4.903 0.003 20 0 "[ . 1 . 2]" 1 815 1 21 CYS H 1 21 CYS HG . . 5.060 4.933 4.839 5.063 0.003 13 0 "[ . 1 . 2]" 1 816 1 34 LYS H 1 34 LYS QB . . 2.550 2.414 2.316 2.633 0.083 5 0 "[ . 1 . 2]" 1 817 1 80 HIS H 1 81 LEU HG . . 4.680 4.394 4.195 4.574 . 0 0 "[ . 1 . 2]" 1 818 1 10 ALA HA 1 11 VAL H . . 3.070 2.456 2.142 3.081 0.011 19 0 "[ . 1 . 2]" 1 819 1 10 ALA MB 1 13 PHE QB . . 5.350 3.319 1.904 5.348 . 0 0 "[ . 1 . 2]" 1 820 1 10 ALA MB 1 11 VAL H . . 3.680 3.083 2.107 3.683 0.003 18 0 "[ . 1 . 2]" 1 821 1 21 CYS HB3 1 24 ALA MB . . 3.280 2.716 2.404 3.056 . 0 0 "[ . 1 . 2]" 1 822 1 21 CYS HB2 1 24 ALA MB . . 4.580 4.045 3.715 4.428 . 0 0 "[ . 1 . 2]" 1 823 1 24 ALA MB 1 59 GLY HA3 . . 3.120 2.903 2.662 3.121 0.001 10 0 "[ . 1 . 2]" 1 824 1 24 ALA MB 1 59 GLY HA2 . . 2.950 2.879 2.373 2.958 0.008 19 0 "[ . 1 . 2]" 1 825 1 24 ALA MB 1 55 PHE QD . . 4.770 3.282 2.981 3.654 . 0 0 "[ . 1 . 2]" 1 826 1 23 LYS HA 1 24 ALA MB . . 5.420 4.733 4.708 4.797 . 0 0 "[ . 1 . 2]" 1 827 1 24 ALA MB 1 55 PHE HA . . 5.500 3.914 3.446 4.307 . 0 0 "[ . 1 . 2]" 1 828 1 23 LYS QG 1 24 ALA MB . . 5.310 3.928 3.314 5.069 . 0 0 "[ . 1 . 2]" 1 829 1 37 ALA HA 1 39 LYS H . . 4.180 4.027 3.709 4.191 0.011 10 0 "[ . 1 . 2]" 1 830 1 37 ALA MB 1 38 SER HA . . 5.480 3.995 3.782 4.134 . 0 0 "[ . 1 . 2]" 1 831 1 37 ALA MB 1 67 TRP HH2 . . 4.610 4.492 4.277 4.615 0.005 18 0 "[ . 1 . 2]" 1 832 1 46 ALA HA 1 47 GLY H . . 3.450 3.299 3.206 3.384 . 0 0 "[ . 1 . 2]" 1 833 1 45 GLU QB 1 46 ALA MB . . 4.600 3.928 3.752 4.524 . 0 0 "[ . 1 . 2]" 1 834 1 44 ASN HB2 1 46 ALA MB . . 5.140 4.017 3.716 4.344 . 0 0 "[ . 1 . 2]" 1 835 1 46 ALA MB 1 47 GLY H . . 3.400 3.263 3.100 3.398 . 0 0 "[ . 1 . 2]" 1 836 1 45 GLU H 1 46 ALA MB . . 4.400 4.315 4.248 4.403 0.003 9 0 "[ . 1 . 2]" 1 837 1 44 ASN HD21 1 46 ALA MB . . 3.820 3.271 2.961 3.543 . 0 0 "[ . 1 . 2]" 1 838 1 57 ASN HA 1 62 ALA HA . . 3.950 3.699 3.139 3.955 0.005 13 0 "[ . 1 . 2]" 1 839 1 62 ALA HA 1 64 SER H . . 5.260 4.070 3.350 4.494 . 0 0 "[ . 1 . 2]" 1 840 1 61 ARG H 1 62 ALA HA . . 4.650 4.361 4.275 4.678 0.028 14 0 "[ . 1 . 2]" 1 841 1 57 ASN HB2 1 62 ALA MB . . 4.320 3.511 2.421 3.976 . 0 0 "[ . 1 . 2]" 1 842 1 57 ASN HA 1 62 ALA MB . . 3.150 2.322 2.021 2.682 . 0 0 "[ . 1 . 2]" 1 843 1 61 ARG H 1 62 ALA MB . . 4.530 4.023 3.852 4.537 0.007 20 0 "[ . 1 . 2]" 1 844 1 56 LEU HB2 1 62 ALA MB . . 4.870 3.860 3.208 4.530 . 0 0 "[ . 1 . 2]" 1 845 1 21 CYS HB2 1 71 ILE HA . . 3.570 2.991 2.613 3.246 . 0 0 "[ . 1 . 2]" 1 846 1 33 LEU HB2 1 33 LEU HG . . 3.020 3.019 3.012 3.022 0.002 15 0 "[ . 1 . 2]" 1 847 1 21 CYS HB3 1 59 GLY HA3 . . 3.860 3.770 3.312 3.889 0.029 11 0 "[ . 1 . 2]" 1 848 1 21 CYS HB3 1 71 ILE HA . . 4.920 4.627 4.311 4.891 . 0 0 "[ . 1 . 2]" 1 849 1 33 LEU HB2 1 41 CYS HB2 . . 3.570 3.096 2.755 3.355 . 0 0 "[ . 1 . 2]" 1 850 1 32 LYS HB3 1 41 CYS HB2 . . 3.790 3.155 2.959 3.389 . 0 0 "[ . 1 . 2]" 1 851 1 32 LYS HB2 1 41 CYS HB2 . . 3.400 2.960 2.649 3.299 . 0 0 "[ . 1 . 2]" 1 852 1 41 CYS HA 1 41 CYS HB2 . . 2.990 2.495 2.462 2.544 . 0 0 "[ . 1 . 2]" 1 853 1 29 PHE H 1 41 CYS HB2 . . 4.080 2.460 2.301 2.710 . 0 0 "[ . 1 . 2]" 1 854 1 32 LYS HG2 1 41 CYS HB3 . . 5.500 4.665 4.446 4.974 . 0 0 "[ . 1 . 2]" 1 855 1 32 LYS HD3 1 41 CYS HB3 . . 5.500 4.651 4.424 4.933 . 0 0 "[ . 1 . 2]" 1 856 1 33 LEU HB2 1 41 CYS HB3 . . 4.020 3.659 3.226 4.042 0.022 15 0 "[ . 1 . 2]" 1 857 1 32 LYS HB3 1 41 CYS HB3 . . 3.180 2.423 2.205 2.699 . 0 0 "[ . 1 . 2]" 1 858 1 32 LYS HB2 1 41 CYS HB3 . . 3.610 3.220 2.925 3.508 . 0 0 "[ . 1 . 2]" 1 859 1 41 CYS HB3 1 41 CYS HG . . 3.150 2.563 2.557 2.575 . 0 0 "[ . 1 . 2]" 1 860 1 33 LEU HA 1 41 CYS HB3 . . 4.410 2.968 2.821 3.227 . 0 0 "[ . 1 . 2]" 1 861 1 41 CYS HA 1 41 CYS HB3 . . 2.950 2.413 2.370 2.442 . 0 0 "[ . 1 . 2]" 1 862 1 33 LEU H 1 41 CYS HB3 . . 4.170 3.941 3.589 4.114 . 0 0 "[ . 1 . 2]" 1 863 1 73 CYS HA 1 74 ASN H . . 3.570 2.435 2.144 3.567 . 0 0 "[ . 1 . 2]" 1 864 1 19 VAL MG1 1 73 CYS HB3 . . 4.780 4.382 3.947 4.776 . 0 0 "[ . 1 . 2]" 1 865 1 9 ASP H 1 9 ASP HB2 . . 3.930 2.990 2.221 3.869 . 0 0 "[ . 1 . 2]" 1 866 1 44 ASN HD22 1 48 ASP HB2 . . 3.640 2.039 1.900 3.013 . 0 0 "[ . 1 . 2]" 1 867 1 9 ASP HB3 1 10 ALA H . . 4.430 3.720 2.565 4.456 0.026 9 0 "[ . 1 . 2]" 1 868 1 12 ASP H 1 12 ASP HB2 . . 3.850 2.900 2.217 3.679 . 0 0 "[ . 1 . 2]" 1 869 1 48 ASP HB2 1 49 TRP H . . 4.390 4.348 4.250 4.401 0.011 10 0 "[ . 1 . 2]" 1 870 1 48 ASP HB3 1 50 LEU MD2 . . 4.790 3.647 3.014 3.947 . 0 0 "[ . 1 . 2]" 1 871 1 48 ASP HB3 1 50 LEU MD1 . . 4.790 4.358 2.767 4.791 0.001 2 0 "[ . 1 . 2]" 1 872 1 48 ASP HB3 1 49 TRP H . . 4.390 3.517 3.196 3.735 . 0 0 "[ . 1 . 2]" 1 873 1 31 GLU HA 1 34 LYS QD . . 4.260 3.052 2.006 4.108 . 0 0 "[ . 1 . 2]" 1 874 1 31 GLU HA 1 34 LYS QB . . 3.810 3.561 3.291 3.847 0.037 4 0 "[ . 1 . 2]" 1 875 1 31 GLU HA 1 31 GLU QB . . 2.520 2.206 2.178 2.252 . 0 0 "[ . 1 . 2]" 1 876 1 31 GLU HA 1 34 LYS H . . 4.050 3.737 3.633 3.920 . 0 0 "[ . 1 . 2]" 1 877 1 31 GLU HA 1 35 GLN H . . 5.500 5.123 4.713 5.414 . 0 0 "[ . 1 . 2]" 1 878 1 31 GLU HA 1 88 PHE QE . . 5.500 5.310 4.817 5.526 0.026 20 0 "[ . 1 . 2]" 1 879 1 31 GLU QB 1 32 LYS H . . 3.460 3.094 2.648 3.443 . 0 0 "[ . 1 . 2]" 1 880 1 31 GLU H 1 31 GLU QB . . 2.740 2.383 2.169 2.606 . 0 0 "[ . 1 . 2]" 1 881 1 31 GLU QB 1 31 GLU HG3 . . 2.640 2.388 2.138 2.474 . 0 0 "[ . 1 . 2]" 1 882 1 31 GLU QB 1 31 GLU HG2 . . 2.640 2.290 2.204 2.475 . 0 0 "[ . 1 . 2]" 1 883 1 31 GLU H 1 31 GLU HG3 . . 4.550 3.728 2.927 4.438 . 0 0 "[ . 1 . 2]" 1 884 1 58 GLU HA 1 58 GLU HB3 . . 2.840 2.675 2.647 2.687 . 0 0 "[ . 1 . 2]" 1 885 1 45 GLU HA 1 46 ALA H . . 3.500 3.468 3.419 3.506 0.006 14 0 "[ . 1 . 2]" 1 886 1 45 GLU H 1 45 GLU HA . . 2.940 2.790 2.774 2.812 . 0 0 "[ . 1 . 2]" 1 887 1 45 GLU HA 1 47 GLY H . . 3.720 3.565 3.383 3.722 0.002 17 0 "[ . 1 . 2]" 1 888 1 15 PRO HA 1 30 GLN HB2 . . 4.920 3.420 3.080 3.807 . 0 0 "[ . 1 . 2]" 1 889 1 45 GLU H 1 45 GLU QB . . 2.770 2.565 2.489 2.772 0.002 19 0 "[ . 1 . 2]" 1 890 1 45 GLU QB 1 45 GLU HG2 . . 2.690 2.412 2.140 2.473 . 0 0 "[ . 1 . 2]" 1 891 1 45 GLU H 1 45 GLU HG2 . . 3.420 2.347 1.966 3.421 0.001 19 0 "[ . 1 . 2]" 1 892 1 45 GLU QB 1 45 GLU HG3 . . 2.690 2.227 2.139 2.474 . 0 0 "[ . 1 . 2]" 1 893 1 45 GLU HA 1 45 GLU HG3 . . 3.990 3.638 2.735 3.832 . 0 0 "[ . 1 . 2]" 1 894 1 83 GLN HA 1 83 GLN HG3 . . 3.830 3.245 2.974 3.824 . 0 0 "[ . 1 . 2]" 1 895 1 54 GLU HA 1 57 ASN HB2 . . 3.820 2.760 2.521 3.189 . 0 0 "[ . 1 . 2]" 1 896 1 54 GLU HA 1 57 ASN HB3 . . 4.290 3.922 2.988 4.295 0.005 4 0 "[ . 1 . 2]" 1 897 1 50 LEU HB2 1 54 GLU HB2 . . 4.190 3.874 3.689 4.090 . 0 0 "[ . 1 . 2]" 1 898 1 50 LEU HB3 1 54 GLU HB2 . . 3.350 2.377 2.149 2.633 . 0 0 "[ . 1 . 2]" 1 899 1 50 LEU HA 1 54 GLU HB2 . . 3.930 3.332 3.065 3.430 . 0 0 "[ . 1 . 2]" 1 900 1 54 GLU H 1 54 GLU HB3 . . 3.590 3.555 3.524 3.589 . 0 0 "[ . 1 . 2]" 1 901 1 51 THR H 1 54 GLU HB3 . . 3.570 3.392 3.153 3.583 0.013 8 0 "[ . 1 . 2]" 1 902 1 54 GLU HA 1 54 GLU QG . . 3.100 2.342 2.135 2.610 . 0 0 "[ . 1 . 2]" 1 903 1 54 GLU QG 1 55 PHE H . . 4.340 4.176 4.027 4.301 . 0 0 "[ . 1 . 2]" 1 904 1 51 THR H 1 54 GLU QG . . 3.640 2.811 2.401 3.413 . 0 0 "[ . 1 . 2]" 1 905 1 24 ALA MB 1 58 GLU HA . . 4.660 4.211 3.950 4.494 . 0 0 "[ . 1 . 2]" 1 906 1 45 GLU HA 1 45 GLU QB . . 2.770 2.313 2.168 2.368 . 0 0 "[ . 1 . 2]" 1 907 1 57 ASN HB2 1 58 GLU HA . . 5.500 4.909 4.457 5.514 0.014 11 0 "[ . 1 . 2]" 1 908 1 57 ASN HB3 1 58 GLU HA . . 5.500 4.053 3.890 4.252 . 0 0 "[ . 1 . 2]" 1 909 1 58 GLU HA 1 60 GLY H . . 4.940 4.663 4.326 4.796 . 0 0 "[ . 1 . 2]" 1 910 1 58 GLU HA 1 59 GLY H . . 3.550 3.521 3.498 3.544 . 0 0 "[ . 1 . 2]" 1 911 1 45 GLU HA 1 45 GLU HG2 . . 3.990 2.903 2.448 3.853 . 0 0 "[ . 1 . 2]" 1 912 1 24 ALA MB 1 58 GLU HB2 . . 4.220 2.672 2.242 3.103 . 0 0 "[ . 1 . 2]" 1 913 1 58 GLU HA 1 58 GLU HB2 . . 2.990 2.973 2.967 2.984 . 0 0 "[ . 1 . 2]" 1 914 1 55 PHE HA 1 58 GLU HB2 . . 3.400 2.877 2.791 2.955 . 0 0 "[ . 1 . 2]" 1 915 1 24 ALA MB 1 58 GLU HB3 . . 3.180 2.132 1.913 2.577 . 0 0 "[ . 1 . 2]" 1 916 1 55 PHE HA 1 58 GLU HB3 . . 4.460 4.401 4.301 4.476 0.016 14 0 "[ . 1 . 2]" 1 917 1 55 PHE QD 1 58 GLU HB3 . . 4.750 4.713 4.515 4.779 0.029 11 0 "[ . 1 . 2]" 1 918 1 58 GLU H 1 58 GLU HB3 . . 3.530 3.509 3.485 3.534 0.004 8 0 "[ . 1 . 2]" 1 919 1 58 GLU HA 1 58 GLU HG2 . . 3.650 2.647 2.143 3.497 . 0 0 "[ . 1 . 2]" 1 920 1 55 PHE HA 1 58 GLU HG2 . . 5.100 4.085 3.506 5.110 0.010 20 0 "[ . 1 . 2]" 1 921 1 58 GLU H 1 58 GLU HG2 . . 4.090 3.084 2.799 4.100 0.010 8 0 "[ . 1 . 2]" 1 922 1 55 PHE HA 1 58 GLU HG3 . . 5.100 3.650 3.274 4.936 . 0 0 "[ . 1 . 2]" 1 923 1 58 GLU H 1 58 GLU HG3 . . 4.090 3.682 2.798 4.069 . 0 0 "[ . 1 . 2]" 1 924 1 58 GLU HA 1 58 GLU HG3 . . 3.650 3.415 2.197 3.634 . 0 0 "[ . 1 . 2]" 1 925 1 76 GLU HB3 1 81 LEU MD2 . . 4.270 2.841 2.276 3.642 . 0 0 "[ . 1 . 2]" 1 926 1 76 GLU HB3 1 81 LEU HG . . 3.830 3.035 2.447 3.804 . 0 0 "[ . 1 . 2]" 1 927 1 76 GLU HB2 1 81 LEU MD2 . . 3.960 2.451 2.147 2.995 . 0 0 "[ . 1 . 2]" 1 928 1 76 GLU HB2 1 76 GLU HG3 . . 3.010 2.937 2.640 3.010 0.000 8 0 "[ . 1 . 2]" 1 929 1 76 GLU HB2 1 80 HIS HB3 . . 4.370 4.096 3.652 4.279 . 0 0 "[ . 1 . 2]" 1 930 1 76 GLU HB2 1 80 HIS HD2 . . 4.790 4.526 4.094 4.793 0.003 5 0 "[ . 1 . 2]" 1 931 1 76 GLU HB2 1 77 THR H . . 4.380 4.195 3.575 4.393 0.013 5 0 "[ . 1 . 2]" 1 932 1 76 GLU HB2 1 76 GLU HG2 . . 3.010 2.611 2.363 2.965 . 0 0 "[ . 1 . 2]" 1 933 1 76 GLU HA 1 76 GLU HG2 . . 3.730 3.461 2.779 3.732 0.002 10 0 "[ . 1 . 2]" 1 934 1 76 GLU H 1 76 GLU HG2 . . 4.550 4.451 4.171 4.594 0.044 5 0 "[ . 1 . 2]" 1 935 1 76 GLU HA 1 76 GLU HG3 . . 3.730 2.358 2.258 2.614 . 0 0 "[ . 1 . 2]" 1 936 1 76 GLU H 1 76 GLU HG3 . . 4.550 3.910 3.509 4.325 . 0 0 "[ . 1 . 2]" 1 937 1 82 GLU HA 1 87 LEU MD1 . . 5.500 4.958 4.636 5.266 . 0 0 "[ . 1 . 2]" 1 938 1 82 GLU HA 1 87 LEU MD2 . . 5.500 4.017 3.647 4.348 . 0 0 "[ . 1 . 2]" 1 939 1 82 GLU HA 1 87 LEU HB2 . . 4.170 3.646 3.382 3.958 . 0 0 "[ . 1 . 2]" 1 940 1 82 GLU HA 1 87 LEU HB3 . . 3.050 2.557 2.200 2.886 . 0 0 "[ . 1 . 2]" 1 941 1 82 GLU HA 1 87 LEU HA . . 4.590 4.353 4.126 4.594 0.004 12 0 "[ . 1 . 2]" 1 942 1 82 GLU HA 1 85 GLY H . . 4.450 3.693 3.375 3.824 . 0 0 "[ . 1 . 2]" 1 943 1 82 GLU HA 1 82 GLU HG2 . . 3.700 2.751 2.306 3.738 0.038 6 0 "[ . 1 . 2]" 1 944 1 82 GLU HA 1 82 GLU HB2 . . 2.900 2.463 2.398 2.531 . 0 0 "[ . 1 . 2]" 1 945 1 82 GLU HA 1 84 LYS H . . 4.280 4.218 4.140 4.283 0.003 5 0 "[ . 1 . 2]" 1 946 1 82 GLU HB2 1 87 LEU H . . 5.230 4.138 3.848 4.589 . 0 0 "[ . 1 . 2]" 1 947 1 30 GLN HB2 1 88 PHE QE . . 5.500 3.977 3.780 4.221 . 0 0 "[ . 1 . 2]" 1 948 1 82 GLU H 1 82 GLU HG2 . . 4.600 4.431 4.345 4.624 0.024 6 0 "[ . 1 . 2]" 1 949 1 82 GLU HA 1 82 GLU HG3 . . 3.700 3.175 2.642 3.670 . 0 0 "[ . 1 . 2]" 1 950 1 82 GLU H 1 82 GLU HG3 . . 4.600 4.528 4.382 4.599 . 0 0 "[ . 1 . 2]" 1 951 1 13 PHE QB 1 14 SER H . . 4.000 3.046 2.187 3.956 . 0 0 "[ . 1 . 2]" 1 952 1 29 PHE HB2 1 32 LYS HD2 . . 3.500 2.404 2.008 2.663 . 0 0 "[ . 1 . 2]" 1 953 1 29 PHE HB2 1 32 LYS HG3 . . 4.080 3.997 3.802 4.097 0.017 11 0 "[ . 1 . 2]" 1 954 1 29 PHE HB2 1 32 LYS HB2 . . 3.570 1.997 1.975 2.078 . 0 0 "[ . 1 . 2]" 1 955 1 29 PHE HB2 1 41 CYS HA . . 4.080 3.491 3.291 3.717 . 0 0 "[ . 1 . 2]" 1 956 1 29 PHE HB2 1 49 TRP HH2 . . 5.410 3.728 3.474 3.976 . 0 0 "[ . 1 . 2]" 1 957 1 29 PHE HB3 1 32 LYS HD2 . . 3.640 2.924 2.492 3.121 . 0 0 "[ . 1 . 2]" 1 958 1 29 PHE HB3 1 32 LYS HG3 . . 4.170 4.100 3.932 4.169 . 0 0 "[ . 1 . 2]" 1 959 1 16 THR HA 1 29 PHE HB3 . . 5.440 4.639 4.534 4.706 . 0 0 "[ . 1 . 2]" 1 960 1 29 PHE HB3 1 49 TRP HZ3 . . 4.080 3.801 3.610 4.056 . 0 0 "[ . 1 . 2]" 1 961 1 50 LEU MD1 1 55 PHE HA . . 4.310 2.862 2.232 4.336 0.026 18 0 "[ . 1 . 2]" 1 962 1 54 GLU HB2 1 55 PHE HA . . 5.500 4.536 4.400 4.626 . 0 0 "[ . 1 . 2]" 1 963 1 55 PHE HA 1 55 PHE HB2 . . 2.990 2.497 2.473 2.539 . 0 0 "[ . 1 . 2]" 1 964 1 55 PHE HA 1 59 GLY H . . 5.100 4.989 4.756 5.100 0.000 15 0 "[ . 1 . 2]" 1 965 1 55 PHE HA 1 58 GLU H . . 3.770 3.689 3.595 3.788 0.018 11 0 "[ . 1 . 2]" 1 966 1 55 PHE HB3 1 71 ILE MD . . 4.680 3.154 2.827 3.360 . 0 0 "[ . 1 . 2]" 1 967 1 50 LEU HB2 1 55 PHE HB3 . . 5.000 4.498 4.024 4.998 . 0 0 "[ . 1 . 2]" 1 968 1 50 LEU HB2 1 55 PHE HB2 . . 3.820 2.807 2.345 3.291 . 0 0 "[ . 1 . 2]" 1 969 1 88 PHE H 1 88 PHE HB2 . . 3.650 3.580 3.519 3.669 0.019 19 0 "[ . 1 . 2]" 1 970 1 80 HIS HA 1 80 HIS HB2 . . 2.840 2.521 2.449 2.593 . 0 0 "[ . 1 . 2]" 1 971 1 61 ARG HB3 1 64 SER HA . . 5.500 5.173 4.365 5.513 0.013 13 0 "[ . 1 . 2]" 1 972 1 80 HIS HA 1 80 HIS HD2 . . 4.080 3.962 3.808 4.093 0.013 10 0 "[ . 1 . 2]" 1 973 1 76 GLU HB3 1 80 HIS HB3 . . 3.720 2.488 2.212 2.602 . 0 0 "[ . 1 . 2]" 1 974 1 76 GLU HG3 1 80 HIS HB3 . . 4.560 4.467 4.320 4.572 0.012 5 0 "[ . 1 . 2]" 1 975 1 80 HIS H 1 80 HIS HB3 . . 2.990 2.664 2.541 2.802 . 0 0 "[ . 1 . 2]" 1 976 1 77 THR H 1 80 HIS HB3 . . 3.640 3.360 2.978 3.619 . 0 0 "[ . 1 . 2]" 1 977 1 76 GLU HB3 1 80 HIS HB2 . . 4.110 3.840 3.538 4.073 . 0 0 "[ . 1 . 2]" 1 978 1 76 GLU HG3 1 80 HIS HB2 . . 5.350 5.181 4.754 5.363 0.013 5 0 "[ . 1 . 2]" 1 979 1 76 GLU HG2 1 80 HIS HB2 . . 5.350 5.115 3.951 5.357 0.007 12 0 "[ . 1 . 2]" 1 980 1 80 HIS HB2 1 80 HIS HD2 . . 3.960 3.941 3.923 3.960 0.000 16 0 "[ . 1 . 2]" 1 981 1 80 HIS HB2 1 81 LEU H . . 3.950 3.720 3.586 3.858 . 0 0 "[ . 1 . 2]" 1 982 1 42 ILE HA 1 42 ILE HG13 . . 3.210 2.846 2.731 2.998 . 0 0 "[ . 1 . 2]" 1 983 1 29 PHE H 1 42 ILE HA . . 4.050 3.950 3.836 4.060 0.010 14 0 "[ . 1 . 2]" 1 984 1 42 ILE HB 1 50 LEU HB2 . . 3.030 2.719 2.599 2.829 . 0 0 "[ . 1 . 2]" 1 985 1 42 ILE HB 1 55 PHE HB2 . . 3.820 2.670 2.349 2.882 . 0 0 "[ . 1 . 2]" 1 986 1 41 CYS H 1 42 ILE HB . . 4.200 4.103 4.012 4.210 0.010 7 0 "[ . 1 . 2]" 1 987 1 28 LEU MD1 1 42 ILE HG13 . . 3.180 2.723 2.513 2.956 . 0 0 "[ . 1 . 2]" 1 988 1 42 ILE HG12 1 42 ILE MG . . 3.150 2.302 2.098 2.379 . 0 0 "[ . 1 . 2]" 1 989 1 28 LEU MD1 1 42 ILE HG12 . . 3.280 2.877 2.564 3.111 . 0 0 "[ . 1 . 2]" 1 990 1 42 ILE HA 1 42 ILE HG12 . . 3.350 2.618 2.537 2.786 . 0 0 "[ . 1 . 2]" 1 991 1 42 ILE H 1 42 ILE HG12 . . 4.280 3.777 3.627 3.923 . 0 0 "[ . 1 . 2]" 1 992 1 19 VAL MG2 1 42 ILE MG . . 3.050 2.266 1.771 2.608 . 0 0 "[ . 1 . 2]" 1 993 1 19 VAL MG1 1 42 ILE MG . . 4.510 4.039 3.548 4.443 . 0 0 "[ . 1 . 2]" 1 994 1 42 ILE MG 1 50 LEU HB2 . . 3.400 3.092 2.767 3.396 . 0 0 "[ . 1 . 2]" 1 995 1 42 ILE HG13 1 42 ILE MG . . 3.280 3.187 3.157 3.197 . 0 0 "[ . 1 . 2]" 1 996 1 42 ILE MG 1 50 LEU HB3 . . 4.750 4.514 4.239 4.761 0.011 7 0 "[ . 1 . 2]" 1 997 1 42 ILE MG 1 55 PHE HB2 . . 3.720 2.632 2.395 2.954 . 0 0 "[ . 1 . 2]" 1 998 1 42 ILE MG 1 55 PHE HB3 . . 4.140 3.578 3.328 3.774 . 0 0 "[ . 1 . 2]" 1 999 1 26 GLY HA3 1 42 ILE MG . . 3.150 2.500 2.336 2.792 . 0 0 "[ . 1 . 2]" 1 1000 1 27 THR HB 1 42 ILE MG . . 5.500 4.865 4.623 5.175 . 0 0 "[ . 1 . 2]" 1 1001 1 42 ILE MG 1 44 ASN HB2 . . 5.500 5.119 4.903 5.317 . 0 0 "[ . 1 . 2]" 1 1002 1 42 ILE MG 1 44 ASN HA . . 3.960 3.867 3.767 3.991 0.031 14 0 "[ . 1 . 2]" 1 1003 1 42 ILE HA 1 42 ILE MG . . 2.990 2.393 2.329 2.460 . 0 0 "[ . 1 . 2]" 1 1004 1 42 ILE MD 1 42 ILE MG . . 2.640 2.077 1.932 2.392 . 0 0 "[ . 1 . 2]" 1 1005 1 19 VAL MG1 1 42 ILE MD . . 4.490 3.967 3.569 4.220 . 0 0 "[ . 1 . 2]" 1 1006 1 28 LEU MD1 1 42 ILE MD . . 3.530 3.313 3.026 3.537 0.007 15 0 "[ . 1 . 2]" 1 1007 1 42 ILE MD 1 71 ILE MG . . 3.900 3.514 3.146 3.791 . 0 0 "[ . 1 . 2]" 1 1008 1 42 ILE HB 1 42 ILE MD . . 2.650 2.328 2.189 2.443 . 0 0 "[ . 1 . 2]" 1 1009 1 28 LEU HB3 1 42 ILE MD . . 5.500 5.363 5.090 5.503 0.003 18 0 "[ . 1 . 2]" 1 1010 1 42 ILE MD 1 71 ILE HB . . 5.500 5.033 4.728 5.343 . 0 0 "[ . 1 . 2]" 1 1011 1 42 ILE MD 1 55 PHE HB2 . . 3.100 2.034 1.946 2.260 . 0 0 "[ . 1 . 2]" 1 1012 1 42 ILE MD 1 55 PHE HB3 . . 3.120 2.265 2.115 2.472 . 0 0 "[ . 1 . 2]" 1 1013 1 42 ILE MD 1 52 VAL HA . . 2.890 2.004 1.890 2.157 . 0 0 "[ . 1 . 2]" 1 1014 1 42 ILE MD 1 55 PHE HA . . 4.340 4.117 3.965 4.260 . 0 0 "[ . 1 . 2]" 1 1015 1 42 ILE HA 1 42 ILE MD . . 3.900 3.855 3.821 3.911 0.011 7 0 "[ . 1 . 2]" 1 1016 1 42 ILE MD 1 55 PHE QE . . 4.160 3.577 3.412 3.714 . 0 0 "[ . 1 . 2]" 1 1017 1 42 ILE MD 1 52 VAL H . . 4.220 3.803 3.659 3.928 . 0 0 "[ . 1 . 2]" 1 1018 1 42 ILE H 1 42 ILE MD . . 3.930 3.561 3.292 3.746 . 0 0 "[ . 1 . 2]" 1 1019 1 67 TRP HE3 1 71 ILE HB . . 4.080 3.457 3.284 3.591 . 0 0 "[ . 1 . 2]" 1 1020 1 70 VAL MG2 1 71 ILE HG13 . . 3.370 1.948 1.916 2.142 . 0 0 "[ . 1 . 2]" 1 1021 1 71 ILE HA 1 71 ILE HG13 . . 3.500 2.962 2.823 3.076 . 0 0 "[ . 1 . 2]" 1 1022 1 55 PHE QD 1 71 ILE HG13 . . 4.280 3.721 3.450 4.065 . 0 0 "[ . 1 . 2]" 1 1023 1 21 CYS HB2 1 71 ILE HG12 . . 3.500 2.243 1.998 2.630 . 0 0 "[ . 1 . 2]" 1 1024 1 71 ILE HA 1 71 ILE HG12 . . 3.240 2.586 2.540 2.637 . 0 0 "[ . 1 . 2]" 1 1025 1 55 PHE QE 1 71 ILE HG12 . . 3.930 2.624 2.361 3.074 . 0 0 "[ . 1 . 2]" 1 1026 1 55 PHE QD 1 71 ILE HG12 . . 3.820 2.432 2.108 2.775 . 0 0 "[ . 1 . 2]" 1 1027 1 71 ILE H 1 71 ILE HG12 . . 3.820 3.579 3.383 3.806 . 0 0 "[ . 1 . 2]" 1 1028 1 19 VAL MG1 1 71 ILE MG . . 2.740 2.417 2.149 2.749 0.009 10 0 "[ . 1 . 2]" 1 1029 1 71 ILE MD 1 71 ILE MG . . 2.460 2.077 1.941 2.216 . 0 0 "[ . 1 . 2]" 1 1030 1 19 VAL HB 1 71 ILE MG . . 2.620 1.907 1.820 2.109 . 0 0 "[ . 1 . 2]" 1 1031 1 71 ILE HG13 1 71 ILE MG . . 3.280 3.190 3.171 3.201 . 0 0 "[ . 1 . 2]" 1 1032 1 21 CYS HB2 1 71 ILE MG . . 4.570 3.326 2.894 3.642 . 0 0 "[ . 1 . 2]" 1 1033 1 71 ILE HA 1 71 ILE MG . . 2.900 2.381 2.278 2.460 . 0 0 "[ . 1 . 2]" 1 1034 1 55 PHE QD 1 71 ILE MG . . 3.720 3.269 2.767 3.640 . 0 0 "[ . 1 . 2]" 1 1035 1 71 ILE H 1 71 ILE MG . . 3.820 3.774 3.764 3.786 . 0 0 "[ . 1 . 2]" 1 1036 1 52 VAL MG2 1 71 ILE MD . . 4.330 4.047 3.853 4.231 . 0 0 "[ . 1 . 2]" 1 1037 1 52 VAL MG1 1 71 ILE MD . . 4.330 2.754 2.474 3.028 . 0 0 "[ . 1 . 2]" 1 1038 1 19 VAL MG1 1 71 ILE MD . . 4.010 3.728 3.531 4.018 0.008 8 0 "[ . 1 . 2]" 1 1039 1 71 ILE HB 1 71 ILE MD . . 2.780 2.362 2.299 2.430 . 0 0 "[ . 1 . 2]" 1 1040 1 19 VAL HB 1 71 ILE MD . . 4.100 3.666 3.440 4.104 0.004 19 0 "[ . 1 . 2]" 1 1041 1 21 CYS HB2 1 71 ILE MD . . 4.150 3.734 3.505 4.086 . 0 0 "[ . 1 . 2]" 1 1042 1 55 PHE HB2 1 71 ILE MD . . 4.450 4.256 4.010 4.460 0.010 11 0 "[ . 1 . 2]" 1 1043 1 67 TRP HB2 1 71 ILE MD . . 3.210 2.073 1.970 2.359 . 0 0 "[ . 1 . 2]" 1 1044 1 52 VAL HA 1 71 ILE MD . . 3.930 3.572 3.407 3.749 . 0 0 "[ . 1 . 2]" 1 1045 1 71 ILE HA 1 71 ILE MD . . 3.910 3.854 3.835 3.869 . 0 0 "[ . 1 . 2]" 1 1046 1 67 TRP HZ3 1 71 ILE MD . . 3.830 3.545 3.250 3.784 . 0 0 "[ . 1 . 2]" 1 1047 1 71 ILE H 1 71 ILE MD . . 3.720 3.587 3.523 3.714 . 0 0 "[ . 1 . 2]" 1 1048 1 71 ILE MD 1 72 ARG H . . 5.350 5.086 4.891 5.204 . 0 0 "[ . 1 . 2]" 1 1049 1 44 ASN HA 1 44 ASN HB2 . . 2.920 2.383 2.314 2.443 . 0 0 "[ . 1 . 2]" 1 1050 1 44 ASN HB2 1 45 GLU H . . 2.870 2.279 2.207 2.346 . 0 0 "[ . 1 . 2]" 1 1051 1 44 ASN HB2 1 44 ASN HD21 . . 3.550 2.910 2.530 3.552 0.002 7 0 "[ . 1 . 2]" 1 1052 1 44 ASN HA 1 44 ASN HB3 . . 2.950 2.538 2.467 2.626 . 0 0 "[ . 1 . 2]" 1 1053 1 44 ASN HB3 1 44 ASN HD22 . . 3.610 3.595 3.560 3.613 0.003 3 0 "[ . 1 . 2]" 1 1054 1 44 ASN HB3 1 45 GLU H . . 3.790 3.729 3.677 3.764 . 0 0 "[ . 1 . 2]" 1 1055 1 54 GLU QG 1 57 ASN HB2 . . 5.120 4.513 4.160 5.004 . 0 0 "[ . 1 . 2]" 1 1056 1 57 ASN HB2 1 57 ASN HD22 . . 4.080 3.523 3.436 3.862 . 0 0 "[ . 1 . 2]" 1 1057 1 57 ASN H 1 57 ASN HB2 . . 2.790 2.248 2.168 2.415 . 0 0 "[ . 1 . 2]" 1 1058 1 57 ASN HB2 1 58 GLU H . . 3.940 3.098 2.722 3.678 . 0 0 "[ . 1 . 2]" 1 1059 1 57 ASN HB3 1 62 ALA MB . . 4.460 3.781 3.433 4.268 . 0 0 "[ . 1 . 2]" 1 1060 1 57 ASN HA 1 57 ASN HB3 . . 3.020 2.765 2.571 3.007 . 0 0 "[ . 1 . 2]" 1 1061 1 57 ASN H 1 57 ASN HB3 . . 3.730 3.346 2.884 3.587 . 0 0 "[ . 1 . 2]" 1 1062 1 57 ASN HB3 1 58 GLU H . . 3.740 3.140 2.604 3.528 . 0 0 "[ . 1 . 2]" 1 1063 1 73 CYS HA 1 74 ASN HA . . 4.550 4.403 4.364 4.546 . 0 0 "[ . 1 . 2]" 1 1064 1 74 ASN HB2 1 74 ASN HD21 . . 3.550 2.635 2.154 3.551 0.001 11 0 "[ . 1 . 2]" 1 1065 1 74 ASN HB2 1 75 GLY H . . 4.500 4.116 3.918 4.224 . 0 0 "[ . 1 . 2]" 1 1066 1 74 ASN HB3 1 74 ASN HD21 . . 3.550 2.915 2.426 3.551 0.001 8 0 "[ . 1 . 2]" 1 1067 1 74 ASN H 1 74 ASN HB3 . . 4.110 3.992 3.570 4.109 . 0 0 "[ . 1 . 2]" 1 1068 1 15 PRO HA 1 16 THR H . . 3.320 3.296 3.270 3.332 0.012 9 0 "[ . 1 . 2]" 1 1069 1 15 PRO HB2 1 16 THR H . . 4.040 3.966 3.904 4.004 . 0 0 "[ . 1 . 2]" 1 1070 1 15 PRO HB2 1 16 THR MG . . 4.280 3.304 3.098 3.500 . 0 0 "[ . 1 . 2]" 1 1071 1 15 PRO HB3 1 16 THR MG . . 4.830 4.593 4.452 4.818 . 0 0 "[ . 1 . 2]" 1 1072 1 15 PRO HD3 1 16 THR H . . 4.100 4.044 4.003 4.074 . 0 0 "[ . 1 . 2]" 1 1073 1 18 PRO HB2 1 19 VAL H . . 3.880 3.772 3.675 3.867 . 0 0 "[ . 1 . 2]" 1 1074 1 18 PRO HB3 1 19 VAL H . . 4.240 4.168 4.099 4.237 . 0 0 "[ . 1 . 2]" 1 1075 1 17 LEU HA 1 18 PRO HG2 . . 4.910 4.344 4.314 4.384 . 0 0 "[ . 1 . 2]" 1 1076 1 17 LEU HA 1 18 PRO HG3 . . 4.760 4.363 4.348 4.385 . 0 0 "[ . 1 . 2]" 1 1077 1 17 LEU HB3 1 18 PRO HD3 . . 4.050 3.811 3.702 3.887 . 0 0 "[ . 1 . 2]" 1 1078 1 17 LEU HA 1 18 PRO HD3 . . 2.610 2.252 2.251 2.256 . 0 0 "[ . 1 . 2]" 1 1079 1 17 LEU MD1 1 18 PRO HD2 . . 5.230 4.385 4.338 4.438 . 0 0 "[ . 1 . 2]" 1 1080 1 18 PRO HD2 1 19 VAL MG1 . . 5.500 4.753 4.669 4.837 . 0 0 "[ . 1 . 2]" 1 1081 1 17 LEU HB2 1 18 PRO HD2 . . 4.040 3.836 3.719 3.909 . 0 0 "[ . 1 . 2]" 1 1082 1 17 LEU HB3 1 18 PRO HD2 . . 3.500 2.431 2.304 2.523 . 0 0 "[ . 1 . 2]" 1 1083 1 18 PRO HD2 1 73 CYS HG . . 3.930 2.971 2.373 3.736 . 0 0 "[ . 1 . 2]" 1 1084 1 17 LEU HA 1 18 PRO HD2 . . 2.660 2.190 2.154 2.240 . 0 0 "[ . 1 . 2]" 1 1085 1 90 GLY HA2 1 91 PRO QG . . 4.630 4.237 3.943 4.556 . 0 0 "[ . 1 . 2]" 1 1086 1 90 GLY HA3 1 91 PRO QD . . 2.850 2.273 1.954 2.653 . 0 0 "[ . 1 . 2]" 1 1087 1 28 LEU MD1 1 30 GLN HA . . 4.570 4.084 3.935 4.297 . 0 0 "[ . 1 . 2]" 1 1088 1 30 GLN HA 1 33 LEU HB2 . . 3.570 3.011 2.688 3.509 . 0 0 "[ . 1 . 2]" 1 1089 1 30 GLN HA 1 30 GLN HG2 . . 2.770 2.719 2.660 2.769 . 0 0 "[ . 1 . 2]" 1 1090 1 30 GLN HA 1 30 GLN HB3 . . 2.900 2.324 2.307 2.343 . 0 0 "[ . 1 . 2]" 1 1091 1 30 GLN HA 1 32 LYS H . . 4.460 4.371 4.148 4.494 0.034 5 0 "[ . 1 . 2]" 1 1092 1 30 GLN HA 1 34 LYS H . . 4.100 3.776 3.334 4.079 . 0 0 "[ . 1 . 2]" 1 1093 1 17 LEU MD1 1 30 GLN HB3 . . 5.410 4.961 4.686 5.154 . 0 0 "[ . 1 . 2]" 1 1094 1 30 GLN HB3 1 88 PHE HZ . . 4.200 2.820 2.562 3.292 . 0 0 "[ . 1 . 2]" 1 1095 1 30 GLN H 1 30 GLN HB3 . . 3.530 3.523 3.507 3.541 0.011 14 0 "[ . 1 . 2]" 1 1096 1 30 GLN HB3 1 31 GLU H . . 4.080 3.953 3.828 4.147 0.067 11 0 "[ . 1 . 2]" 1 1097 1 30 GLN HB3 1 30 GLN HG3 . . 3.000 2.989 2.971 2.996 . 0 0 "[ . 1 . 2]" 1 1098 1 30 GLN HA 1 30 GLN HG3 . . 3.640 3.583 3.551 3.621 . 0 0 "[ . 1 . 2]" 1 1099 1 30 GLN HE22 1 30 GLN HG3 . . 4.050 4.015 3.963 4.042 . 0 0 "[ . 1 . 2]" 1 1100 1 30 GLN HE21 1 30 GLN HG3 . . 3.470 3.392 3.292 3.445 . 0 0 "[ . 1 . 2]" 1 1101 1 28 LEU MD2 1 30 GLN HG2 . . 4.840 3.093 2.917 3.259 . 0 0 "[ . 1 . 2]" 1 1102 1 30 GLN HB3 1 30 GLN HG2 . . 2.740 2.575 2.549 2.628 . 0 0 "[ . 1 . 2]" 1 1103 1 35 GLN HA 1 35 GLN HB3 . . 2.710 2.450 2.388 2.561 . 0 0 "[ . 1 . 2]" 1 1104 1 35 GLN HA 1 35 GLN HG2 . . 3.650 2.734 2.377 3.629 . 0 0 "[ . 1 . 2]" 1 1105 1 30 GLN HA 1 33 LEU HA . . 5.500 4.944 4.856 5.075 . 0 0 "[ . 1 . 2]" 1 1106 1 33 LEU HA 1 34 LYS HA . . 5.500 4.879 4.837 4.931 . 0 0 "[ . 1 . 2]" 1 1107 1 34 LYS HA 1 35 GLN HA . . 5.500 4.844 4.774 4.931 . 0 0 "[ . 1 . 2]" 1 1108 1 33 LEU HA 1 36 GLY H . . 4.000 3.457 3.209 3.751 . 0 0 "[ . 1 . 2]" 1 1109 1 35 GLN HB3 1 39 LYS QD . . 4.600 3.762 2.320 4.592 . 0 0 "[ . 1 . 2]" 1 1110 1 35 GLN H 1 35 GLN HB3 . . 3.620 3.590 3.571 3.624 0.004 19 0 "[ . 1 . 2]" 1 1111 1 57 ASN HB3 1 58 GLU HB2 . . 5.500 5.180 4.588 5.545 0.045 20 0 "[ . 1 . 2]" 1 1112 1 34 LYS QB 1 35 GLN HG2 . . 5.230 4.273 3.328 5.156 . 0 0 "[ . 1 . 2]" 1 1113 1 34 LYS QB 1 35 GLN HG3 . . 5.230 4.238 3.450 5.153 . 0 0 "[ . 1 . 2]" 1 1114 1 35 GLN HA 1 35 GLN HG3 . . 3.650 3.287 2.388 3.832 0.182 13 0 "[ . 1 . 2]" 1 1115 1 42 ILE HA 1 43 GLN HB2 . . 5.010 4.415 4.337 4.510 . 0 0 "[ . 1 . 2]" 1 1116 1 43 GLN HB2 1 43 GLN HE21 . . 4.650 3.878 3.778 4.026 . 0 0 "[ . 1 . 2]" 1 1117 1 43 GLN HG2 1 47 GLY HA3 . . 4.080 3.720 3.530 3.931 . 0 0 "[ . 1 . 2]" 1 1118 1 43 GLN HA 1 43 GLN HG2 . . 3.570 2.769 2.676 2.884 . 0 0 "[ . 1 . 2]" 1 1119 1 43 GLN HA 1 43 GLN HG3 . . 3.310 2.521 2.475 2.595 . 0 0 "[ . 1 . 2]" 1 1120 1 83 GLN HA 1 84 LYS H . . 3.530 3.517 3.485 3.528 . 0 0 "[ . 1 . 2]" 1 1121 1 83 GLN HA 1 83 GLN HB2 . . 3.020 3.014 2.995 3.023 0.003 6 0 "[ . 1 . 2]" 1 1122 1 54 GLU HA 1 54 GLU HB3 . . 2.930 2.639 2.588 2.678 . 0 0 "[ . 1 . 2]" 1 1123 1 83 GLN HB2 1 83 GLN HG3 . . 3.010 2.348 2.280 2.434 . 0 0 "[ . 1 . 2]" 1 1124 1 83 GLN HB2 1 83 GLN HG2 . . 3.010 2.914 2.538 3.010 0.000 15 0 "[ . 1 . 2]" 1 1125 1 83 GLN H 1 83 GLN HB2 . . 2.940 2.406 2.276 2.602 . 0 0 "[ . 1 . 2]" 1 1126 1 83 GLN HA 1 83 GLN HB3 . . 2.920 2.540 2.442 2.619 . 0 0 "[ . 1 . 2]" 1 1127 1 80 HIS HA 1 83 GLN HB3 . . 5.180 4.599 4.471 4.715 . 0 0 "[ . 1 . 2]" 1 1128 1 83 GLN HB3 1 84 LYS HA . . 5.470 4.351 4.182 4.543 . 0 0 "[ . 1 . 2]" 1 1129 1 83 GLN H 1 83 GLN HB3 . . 3.590 3.574 3.542 3.596 0.006 19 0 "[ . 1 . 2]" 1 1130 1 83 GLN HA 1 83 GLN HG2 . . 3.830 2.457 2.252 2.916 . 0 0 "[ . 1 . 2]" 1 1131 1 83 GLN H 1 83 GLN HG2 . . 3.560 3.169 1.987 3.561 0.001 8 0 "[ . 1 . 2]" 1 1132 1 83 GLN H 1 83 GLN HG3 . . 3.560 2.661 2.342 3.470 . 0 0 "[ . 1 . 2]" 1 1133 1 30 GLN H 1 30 GLN HB2 . . 3.970 2.957 2.916 2.998 . 0 0 "[ . 1 . 2]" 1 1134 1 61 ARG HB2 1 70 VAL MG2 . . 4.870 3.737 3.098 4.450 . 0 0 "[ . 1 . 2]" 1 1135 1 56 LEU HA 1 61 ARG HB2 . . 4.770 3.547 3.022 4.492 . 0 0 "[ . 1 . 2]" 1 1136 1 61 ARG HD2 1 70 VAL MG1 . . 4.470 2.995 1.817 4.473 0.003 8 0 "[ . 1 . 2]" 1 1137 1 61 ARG HB3 1 61 ARG HD2 . . 3.750 3.042 2.260 3.644 . 0 0 "[ . 1 . 2]" 1 1138 1 61 ARG HB3 1 61 ARG HD3 . . 3.750 2.855 2.083 3.720 . 0 0 "[ . 1 . 2]" 1 1139 1 61 ARG HB2 1 61 ARG HD3 . . 4.020 3.181 2.538 3.896 . 0 0 "[ . 1 . 2]" 1 1140 1 72 ARG HA 1 72 ARG HG2 . . 3.240 2.533 2.381 2.600 . 0 0 "[ . 1 . 2]" 1 1141 1 72 ARG HA 1 77 THR HA . . 2.990 2.180 1.992 2.934 . 0 0 "[ . 1 . 2]" 1 1142 1 72 ARG HB2 1 72 ARG HD3 . . 3.760 3.456 2.946 3.776 0.016 16 0 "[ . 1 . 2]" 1 1143 1 72 ARG HB2 1 72 ARG HD2 . . 3.760 2.722 2.509 2.875 . 0 0 "[ . 1 . 2]" 1 1144 1 72 ARG HB2 1 73 CYS H . . 4.130 4.019 3.935 4.099 . 0 0 "[ . 1 . 2]" 1 1145 1 72 ARG HB3 1 77 THR HA . . 4.540 3.829 3.435 4.537 . 0 0 "[ . 1 . 2]" 1 1146 1 72 ARG H 1 72 ARG HB3 . . 3.920 3.766 3.724 3.832 . 0 0 "[ . 1 . 2]" 1 1147 1 71 ILE HA 1 72 ARG HG3 . . 4.630 3.825 3.659 4.084 . 0 0 "[ . 1 . 2]" 1 1148 1 72 ARG HG3 1 77 THR HA . . 5.230 4.489 4.057 4.802 . 0 0 "[ . 1 . 2]" 1 1149 1 72 ARG HA 1 72 ARG HG3 . . 3.480 3.309 3.060 3.497 0.017 14 0 "[ . 1 . 2]" 1 1150 1 72 ARG H 1 72 ARG HG3 . . 3.720 2.850 2.634 3.243 . 0 0 "[ . 1 . 2]" 1 1151 1 72 ARG HG2 1 77 THR HA . . 3.210 3.056 2.716 3.211 0.001 3 0 "[ . 1 . 2]" 1 1152 1 72 ARG H 1 72 ARG HG2 . . 4.200 3.678 3.386 4.104 . 0 0 "[ . 1 . 2]" 1 1153 1 72 ARG HG2 1 73 CYS H . . 4.500 4.403 4.198 4.512 0.012 11 0 "[ . 1 . 2]" 1 1154 1 72 ARG HB3 1 72 ARG HD2 . . 3.610 2.630 2.309 3.154 . 0 0 "[ . 1 . 2]" 1 1155 1 72 ARG HB3 1 72 ARG HD3 . . 3.610 2.802 2.260 3.577 . 0 0 "[ . 1 . 2]" 1 1156 1 79 ARG HA 1 82 GLU HB2 . . 3.590 3.443 3.330 3.605 0.015 10 0 "[ . 1 . 2]" 1 1157 1 79 ARG HA 1 82 GLU HB3 . . 3.230 2.840 2.523 3.127 . 0 0 "[ . 1 . 2]" 1 1158 1 79 ARG HA 1 82 GLU H . . 3.660 3.552 3.444 3.663 0.003 4 0 "[ . 1 . 2]" 1 1159 1 79 ARG HB3 1 79 ARG HD3 . . 4.210 3.510 2.829 3.621 . 0 0 "[ . 1 . 2]" 1 1160 1 32 LYS HB3 1 32 LYS HD3 . . 3.400 2.837 2.757 2.935 . 0 0 "[ . 1 . 2]" 1 1161 1 79 ARG HB2 1 80 HIS H . . 3.990 3.915 3.789 4.005 0.015 15 0 "[ . 1 . 2]" 1 1162 1 79 ARG HA 1 79 ARG HG2 . . 3.890 3.046 2.531 3.869 . 0 0 "[ . 1 . 2]" 1 1163 1 79 ARG HG2 1 80 HIS H . . 5.100 4.070 3.530 4.570 . 0 0 "[ . 1 . 2]" 1 1164 1 79 ARG HA 1 79 ARG HG3 . . 3.890 3.128 2.662 3.631 . 0 0 "[ . 1 . 2]" 1 1165 1 86 LEU HA 1 86 LEU HG . . 3.450 3.134 3.065 3.183 . 0 0 "[ . 1 . 2]" 1 1166 1 84 LYS HB3 1 86 LEU HG . . 3.700 2.642 2.521 2.754 . 0 0 "[ . 1 . 2]" 1 1167 1 61 ARG HB2 1 61 ARG HD2 . . 4.020 3.127 2.236 4.065 0.045 12 0 "[ . 1 . 2]" 1 1168 1 79 ARG HB3 1 79 ARG HD2 . . 4.210 2.906 2.117 4.218 0.008 8 0 "[ . 1 . 2]" 1 1169 1 16 THR HA 1 27 THR MG . . 3.500 3.189 3.016 3.367 . 0 0 "[ . 1 . 2]" 1 1170 1 16 THR HA 1 17 LEU HG . . 4.780 3.505 3.430 3.575 . 0 0 "[ . 1 . 2]" 1 1171 1 16 THR HB 1 27 THR MG . . 2.510 1.857 1.818 1.911 . 0 0 "[ . 1 . 2]" 1 1172 1 16 THR HA 1 16 THR HB . . 2.720 2.467 2.429 2.521 . 0 0 "[ . 1 . 2]" 1 1173 1 16 THR HB 1 17 LEU H . . 3.170 2.915 2.755 3.040 . 0 0 "[ . 1 . 2]" 1 1174 1 16 THR HB 1 28 LEU H . . 4.920 4.719 4.543 4.921 0.001 14 0 "[ . 1 . 2]" 1 1175 1 16 THR HA 1 28 LEU H . . 4.840 4.720 4.580 4.813 . 0 0 "[ . 1 . 2]" 1 1176 1 15 PRO QG 1 16 THR MG . . 3.210 2.577 2.401 2.888 . 0 0 "[ . 1 . 2]" 1 1177 1 52 VAL HA 1 52 VAL MG1 . . 3.660 2.415 2.333 2.482 . 0 0 "[ . 1 . 2]" 1 1178 1 16 THR HA 1 16 THR MG . . 2.760 2.325 2.167 2.438 . 0 0 "[ . 1 . 2]" 1 1179 1 16 THR H 1 16 THR MG . . 3.320 2.899 2.767 3.164 . 0 0 "[ . 1 . 2]" 1 1180 1 20 THR HA 1 24 ALA MB . . 4.630 4.329 4.198 4.597 . 0 0 "[ . 1 . 2]" 1 1181 1 20 THR HA 1 25 LYS HG2 . . 5.500 3.850 3.224 5.509 0.009 9 0 "[ . 1 . 2]" 1 1182 1 20 THR HA 1 25 LYS HG3 . . 5.500 4.617 3.293 5.417 . 0 0 "[ . 1 . 2]" 1 1183 1 20 THR HA 1 21 CYS HB3 . . 5.420 4.636 4.583 4.760 . 0 0 "[ . 1 . 2]" 1 1184 1 19 VAL HA 1 20 THR HA . . 4.520 4.473 4.450 4.506 . 0 0 "[ . 1 . 2]" 1 1185 1 20 THR HA 1 55 PHE QE . . 3.670 3.284 3.067 3.520 . 0 0 "[ . 1 . 2]" 1 1186 1 20 THR HA 1 20 THR HB . . 2.690 2.526 2.494 2.593 . 0 0 "[ . 1 . 2]" 1 1187 1 20 THR HB 1 55 PHE HZ . . 5.170 4.569 4.393 5.000 . 0 0 "[ . 1 . 2]" 1 1188 1 20 THR H 1 20 THR HB . . 3.930 3.882 3.825 3.934 0.004 19 0 "[ . 1 . 2]" 1 1189 1 20 THR MG 1 25 LYS HG2 . . 4.160 2.202 1.898 4.155 . 0 0 "[ . 1 . 2]" 1 1190 1 20 THR MG 1 25 LYS HG3 . . 4.160 3.434 2.098 3.882 . 0 0 "[ . 1 . 2]" 1 1191 1 20 THR MG 1 25 LYS QD . . 3.880 3.255 2.591 3.868 . 0 0 "[ . 1 . 2]" 1 1192 1 20 THR MG 1 25 LYS QE . . 4.650 3.623 2.208 4.650 . 0 0 "[ . 1 . 2]" 1 1193 1 20 THR HA 1 20 THR MG . . 2.760 2.297 2.158 2.363 . 0 0 "[ . 1 . 2]" 1 1194 1 20 THR MG 1 55 PHE HZ . . 4.150 3.751 3.493 4.074 . 0 0 "[ . 1 . 2]" 1 1195 1 20 THR H 1 20 THR MG . . 3.380 3.246 3.159 3.386 0.006 9 0 "[ . 1 . 2]" 1 1196 1 27 THR HB 1 43 GLN HB2 . . 4.540 4.135 3.860 4.512 . 0 0 "[ . 1 . 2]" 1 1197 1 16 THR MG 1 27 THR HB . . 5.130 4.390 4.056 4.609 . 0 0 "[ . 1 . 2]" 1 1198 1 19 VAL MG2 1 27 THR HB . . 5.500 4.678 4.466 4.865 . 0 0 "[ . 1 . 2]" 1 1199 1 27 THR HB 1 43 GLN HB3 . . 3.520 3.059 2.729 3.501 . 0 0 "[ . 1 . 2]" 1 1200 1 27 THR HB 1 42 ILE HA . . 5.180 4.863 4.748 5.094 . 0 0 "[ . 1 . 2]" 1 1201 1 27 THR HB 1 28 LEU H . . 4.240 4.166 4.086 4.243 0.003 9 0 "[ . 1 . 2]" 1 1202 1 16 THR MG 1 27 THR MG . . 2.930 2.706 2.459 2.917 . 0 0 "[ . 1 . 2]" 1 1203 1 17 LEU HA 1 27 THR MG . . 5.090 3.740 3.538 3.932 . 0 0 "[ . 1 . 2]" 1 1204 1 18 PRO HA 1 27 THR MG . . 5.260 3.299 2.908 3.579 . 0 0 "[ . 1 . 2]" 1 1205 1 40 LYS HG3 1 51 THR MG . . 4.190 3.550 3.322 3.713 . 0 0 "[ . 1 . 2]" 1 1206 1 40 LYS HD3 1 51 THR MG . . 2.990 1.827 1.768 1.965 . 0 0 "[ . 1 . 2]" 1 1207 1 51 THR MG 1 54 GLU HB2 . . 4.610 3.550 3.309 3.960 . 0 0 "[ . 1 . 2]" 1 1208 1 51 THR MG 1 54 GLU QG . . 4.790 2.979 2.502 3.994 . 0 0 "[ . 1 . 2]" 1 1209 1 40 LYS QE 1 51 THR MG . . 3.270 2.261 2.114 2.659 . 0 0 "[ . 1 . 2]" 1 1210 1 40 LYS HA 1 51 THR MG . . 3.010 2.567 2.363 2.696 . 0 0 "[ . 1 . 2]" 1 1211 1 39 LYS HA 1 51 THR MG . . 3.720 3.199 2.613 3.491 . 0 0 "[ . 1 . 2]" 1 1212 1 38 SER HA 1 51 THR MG . . 4.130 3.764 3.485 4.087 . 0 0 "[ . 1 . 2]" 1 1213 1 50 LEU HA 1 51 THR MG . . 3.810 3.664 3.527 3.803 . 0 0 "[ . 1 . 2]" 1 1214 1 40 LYS H 1 51 THR MG . . 3.720 2.888 2.676 3.028 . 0 0 "[ . 1 . 2]" 1 1215 1 51 THR MG 1 52 VAL H . . 4.000 3.895 3.782 4.014 0.014 20 0 "[ . 1 . 2]" 1 1216 1 63 THR HA 1 63 THR MG . . 3.210 2.847 2.201 3.207 . 0 0 "[ . 1 . 2]" 1 1217 1 62 ALA MB 1 63 THR HA . . 3.990 3.785 3.648 3.911 . 0 0 "[ . 1 . 2]" 1 1218 1 63 THR HA 1 63 THR HB . . 3.020 2.456 2.410 2.533 . 0 0 "[ . 1 . 2]" 1 1219 1 62 ALA H 1 63 THR MG . . 5.500 4.057 3.293 4.561 . 0 0 "[ . 1 . 2]" 1 1220 1 72 ARG HG3 1 77 THR MG . . 3.900 3.652 3.309 3.892 . 0 0 "[ . 1 . 2]" 1 1221 1 76 GLU HB3 1 77 THR MG . . 5.250 4.959 4.364 5.185 . 0 0 "[ . 1 . 2]" 1 1222 1 72 ARG HD3 1 77 THR MG . . 4.930 3.299 2.647 4.098 . 0 0 "[ . 1 . 2]" 1 1223 1 72 ARG HD2 1 77 THR MG . . 4.930 4.214 3.514 4.831 . 0 0 "[ . 1 . 2]" 1 1224 1 77 THR MG 1 80 HIS HB2 . . 4.550 4.141 3.902 4.374 . 0 0 "[ . 1 . 2]" 1 1225 1 69 GLY HA3 1 77 THR MG . . 4.500 3.994 3.129 4.301 . 0 0 "[ . 1 . 2]" 1 1226 1 69 GLY HA2 1 77 THR MG . . 3.400 2.805 1.997 3.119 . 0 0 "[ . 1 . 2]" 1 1227 1 77 THR HA 1 77 THR MG . . 2.840 2.318 2.243 2.395 . 0 0 "[ . 1 . 2]" 1 1228 1 72 ARG HA 1 77 THR MG . . 4.300 3.402 3.024 4.299 . 0 0 "[ . 1 . 2]" 1 1229 1 77 THR MG 1 79 ARG H . . 4.650 4.517 4.420 4.621 . 0 0 "[ . 1 . 2]" 1 1230 1 77 THR H 1 77 THR MG . . 2.710 2.254 2.050 2.480 . 0 0 "[ . 1 . 2]" 1 1231 1 11 VAL HA 1 11 VAL MG1 . . 3.280 2.548 2.204 3.202 . 0 0 "[ . 1 . 2]" 1 1232 1 11 VAL H 1 11 VAL MG1 . . 3.850 2.753 1.880 3.814 . 0 0 "[ . 1 . 2]" 1 1233 1 11 VAL MG1 1 12 ASP H . . 4.220 3.307 1.867 4.090 . 0 0 "[ . 1 . 2]" 1 1234 1 11 VAL HA 1 11 VAL MG2 . . 3.280 2.695 2.251 3.198 . 0 0 "[ . 1 . 2]" 1 1235 1 11 VAL MG2 1 12 ASP H . . 4.220 3.070 1.932 3.946 . 0 0 "[ . 1 . 2]" 1 1236 1 19 VAL HA 1 19 VAL MG2 . . 3.350 3.198 3.185 3.203 . 0 0 "[ . 1 . 2]" 1 1237 1 19 VAL HA 1 19 VAL MG1 . . 2.690 2.372 2.319 2.410 . 0 0 "[ . 1 . 2]" 1 1238 1 19 VAL HA 1 71 ILE MG . . 3.720 3.167 2.917 3.555 . 0 0 "[ . 1 . 2]" 1 1239 1 19 VAL HA 1 20 THR MG . . 3.930 3.726 3.530 3.961 0.031 9 0 "[ . 1 . 2]" 1 1240 1 19 VAL HA 1 19 VAL HB . . 2.760 2.458 2.429 2.470 . 0 0 "[ . 1 . 2]" 1 1241 1 19 VAL HA 1 73 CYS HB2 . . 4.430 3.321 2.796 4.080 . 0 0 "[ . 1 . 2]" 1 1242 1 19 VAL HA 1 73 CYS HA . . 3.100 2.663 2.004 3.095 . 0 0 "[ . 1 . 2]" 1 1243 1 19 VAL HA 1 28 LEU H . . 5.500 5.337 5.126 5.482 . 0 0 "[ . 1 . 2]" 1 1244 1 19 VAL HA 1 74 ASN H . . 5.500 4.721 4.098 5.526 0.026 8 0 "[ . 1 . 2]" 1 1245 1 19 VAL MG1 1 28 LEU HB2 . . 3.790 2.195 1.973 2.578 . 0 0 "[ . 1 . 2]" 1 1246 1 17 LEU HB3 1 19 VAL MG1 . . 4.090 3.871 3.773 3.950 . 0 0 "[ . 1 . 2]" 1 1247 1 19 VAL MG1 1 28 LEU HB3 . . 3.790 2.382 2.282 2.587 . 0 0 "[ . 1 . 2]" 1 1248 1 19 VAL MG1 1 73 CYS HB2 . . 3.440 2.938 2.435 3.385 . 0 0 "[ . 1 . 2]" 1 1249 1 18 PRO HA 1 19 VAL MG1 . . 4.710 3.861 3.760 3.955 . 0 0 "[ . 1 . 2]" 1 1250 1 19 VAL MG1 1 73 CYS HA . . 4.900 3.799 2.821 4.247 . 0 0 "[ . 1 . 2]" 1 1251 1 19 VAL MG1 1 20 THR H . . 3.790 3.763 3.673 3.799 0.009 13 0 "[ . 1 . 2]" 1 1252 1 19 VAL MG1 1 28 LEU H . . 3.570 2.606 2.286 2.824 . 0 0 "[ . 1 . 2]" 1 1253 1 19 VAL MG2 1 71 ILE MG . . 3.100 3.011 2.793 3.076 . 0 0 "[ . 1 . 2]" 1 1254 1 19 VAL MG2 1 28 LEU HB3 . . 3.930 3.639 3.465 3.797 . 0 0 "[ . 1 . 2]" 1 1255 1 18 PRO HA 1 19 VAL MG2 . . 3.880 3.778 3.717 3.863 . 0 0 "[ . 1 . 2]" 1 1256 1 19 VAL MG2 1 55 PHE HZ . . 3.220 2.777 2.589 3.049 . 0 0 "[ . 1 . 2]" 1 1257 1 19 VAL MG2 1 55 PHE QD . . 4.280 3.745 3.597 3.884 . 0 0 "[ . 1 . 2]" 1 1258 1 52 VAL HA 1 52 VAL MG2 . . 3.660 2.376 2.228 2.429 . 0 0 "[ . 1 . 2]" 1 1259 1 42 ILE HG13 1 52 VAL HA . . 4.140 3.642 3.342 3.967 . 0 0 "[ . 1 . 2]" 1 1260 1 52 VAL HA 1 55 PHE HB2 . . 4.190 4.040 3.723 4.218 0.028 18 0 "[ . 1 . 2]" 1 1261 1 52 VAL HA 1 55 PHE HB3 . . 3.700 3.665 3.528 3.731 0.031 18 0 "[ . 1 . 2]" 1 1262 1 52 VAL HA 1 56 LEU H . . 4.960 4.960 4.871 4.984 0.024 19 0 "[ . 1 . 2]" 1 1263 1 52 VAL HB 1 67 TRP HB2 . . 5.100 4.994 4.674 5.116 0.016 6 0 "[ . 1 . 2]" 1 1264 1 52 VAL H 1 52 VAL HB . . 3.640 2.701 2.645 2.803 . 0 0 "[ . 1 . 2]" 1 1265 1 41 CYS HG 1 52 VAL MG1 . . 5.100 4.878 4.677 5.109 0.009 18 0 "[ . 1 . 2]" 1 1266 1 52 VAL MG1 1 67 TRP HZ3 . . 4.800 3.903 3.398 4.326 . 0 0 "[ . 1 . 2]" 1 1267 1 52 VAL MG1 1 53 LYS H . . 3.950 3.626 3.506 3.795 . 0 0 "[ . 1 . 2]" 1 1268 1 52 VAL H 1 52 VAL MG1 . . 3.780 3.781 3.767 3.790 0.010 5 0 "[ . 1 . 2]" 1 1269 1 33 LEU MD1 1 52 VAL MG2 . . 5.420 2.373 2.017 2.545 . 0 0 "[ . 1 . 2]" 1 1270 1 41 CYS HG 1 52 VAL MG2 . . 5.100 2.344 2.192 2.547 . 0 0 "[ . 1 . 2]" 1 1271 1 52 VAL MG2 1 67 TRP HZ3 . . 4.800 4.164 3.863 4.483 . 0 0 "[ . 1 . 2]" 1 1272 1 56 LEU HB3 1 70 VAL MG2 . . 4.520 3.315 2.955 3.531 . 0 0 "[ . 1 . 2]" 1 1273 1 21 CYS HG 1 70 VAL MG2 . . 4.170 3.286 2.366 3.908 . 0 0 "[ . 1 . 2]" 1 1274 1 61 ARG HB3 1 70 VAL MG2 . . 4.310 3.417 2.930 4.343 0.033 11 0 "[ . 1 . 2]" 1 1275 1 67 TRP HB3 1 70 VAL MG2 . . 4.660 3.665 3.508 3.796 . 0 0 "[ . 1 . 2]" 1 1276 1 67 TRP HB2 1 70 VAL MG2 . . 4.080 3.369 3.272 3.486 . 0 0 "[ . 1 . 2]" 1 1277 1 64 SER HB3 1 70 VAL MG2 . . 4.250 3.580 3.076 4.211 . 0 0 "[ . 1 . 2]" 1 1278 1 64 SER HB2 1 70 VAL MG2 . . 4.250 3.860 2.982 4.259 0.009 7 0 "[ . 1 . 2]" 1 1279 1 67 TRP HA 1 70 VAL MG2 . . 2.780 1.892 1.789 1.964 . 0 0 "[ . 1 . 2]" 1 1280 1 70 VAL HA 1 70 VAL MG2 . . 3.200 3.193 3.182 3.201 0.001 14 0 "[ . 1 . 2]" 1 1281 1 70 VAL H 1 70 VAL MG2 . . 2.770 1.991 1.886 2.257 . 0 0 "[ . 1 . 2]" 1 1282 1 61 ARG HB2 1 70 VAL MG1 . . 4.260 3.515 3.274 3.881 . 0 0 "[ . 1 . 2]" 1 1283 1 56 LEU HB3 1 70 VAL MG1 . . 4.460 4.155 4.082 4.226 . 0 0 "[ . 1 . 2]" 1 1284 1 21 CYS HG 1 70 VAL MG1 . . 4.680 4.215 3.834 4.672 . 0 0 "[ . 1 . 2]" 1 1285 1 56 LEU HB2 1 70 VAL MG1 . . 5.500 5.499 5.453 5.514 0.014 16 0 "[ . 1 . 2]" 1 1286 1 61 ARG HB3 1 70 VAL MG1 . . 3.640 2.413 1.960 3.414 . 0 0 "[ . 1 . 2]" 1 1287 1 70 VAL MG1 1 71 ILE HG13 . . 4.730 4.638 4.576 4.698 . 0 0 "[ . 1 . 2]" 1 1288 1 61 ARG HD3 1 70 VAL MG1 . . 4.470 2.931 1.838 3.880 . 0 0 "[ . 1 . 2]" 1 1289 1 64 SER HB2 1 70 VAL MG1 . . 3.660 2.243 1.952 3.026 . 0 0 "[ . 1 . 2]" 1 1290 1 67 TRP HA 1 70 VAL MG1 . . 4.270 3.493 3.404 3.605 . 0 0 "[ . 1 . 2]" 1 1291 1 70 VAL HA 1 70 VAL MG1 . . 2.820 2.353 2.293 2.400 . 0 0 "[ . 1 . 2]" 1 1292 1 70 VAL MG1 1 71 ILE H . . 5.240 3.907 3.844 4.033 . 0 0 "[ . 1 . 2]" 1 1293 1 40 LYS HB3 1 49 TRP HB2 . . 3.780 2.446 2.358 2.528 . 0 0 "[ . 1 . 2]" 1 1294 1 40 LYS HB2 1 49 TRP HB2 . . 3.820 2.859 2.674 2.922 . 0 0 "[ . 1 . 2]" 1 1295 1 48 ASP HA 1 49 TRP HB2 . . 4.660 4.609 4.578 4.649 . 0 0 "[ . 1 . 2]" 1 1296 1 49 TRP HB2 1 49 TRP HE3 . . 4.110 4.046 4.021 4.073 . 0 0 "[ . 1 . 2]" 1 1297 1 40 LYS HD3 1 49 TRP HB3 . . 4.930 4.744 4.478 4.827 . 0 0 "[ . 1 . 2]" 1 1298 1 40 LYS HB2 1 49 TRP HB3 . . 3.640 2.719 2.533 2.841 . 0 0 "[ . 1 . 2]" 1 1299 1 49 TRP H 1 49 TRP HB3 . . 3.650 3.605 3.591 3.652 0.002 7 0 "[ . 1 . 2]" 1 1300 1 67 TRP HA 1 71 ILE MD . . 3.950 3.627 3.465 3.810 . 0 0 "[ . 1 . 2]" 1 1301 1 80 HIS HA 1 83 GLN HB2 . . 3.650 3.031 2.892 3.149 . 0 0 "[ . 1 . 2]" 1 1302 1 67 TRP HA 1 67 TRP HB3 . . 2.740 2.405 2.375 2.422 . 0 0 "[ . 1 . 2]" 1 1303 1 67 TRP HA 1 67 TRP HB2 . . 2.870 2.506 2.487 2.542 . 0 0 "[ . 1 . 2]" 1 1304 1 67 TRP HA 1 71 ILE HG13 . . 5.100 3.506 3.316 3.863 . 0 0 "[ . 1 . 2]" 1 1305 1 67 TRP HB2 1 71 ILE H . . 5.470 4.547 4.339 4.796 . 0 0 "[ . 1 . 2]" 1 1306 1 67 TRP HB3 1 71 ILE MD . . 3.890 3.579 3.452 3.867 . 0 0 "[ . 1 . 2]" 1 1307 1 67 TRP HB3 1 67 TRP HE3 . . 4.140 4.067 4.049 4.096 . 0 0 "[ . 1 . 2]" 1 1308 1 22 GLY HA3 1 23 LYS QG . . 3.950 3.678 3.322 3.946 . 0 0 "[ . 1 . 2]" 1 1309 1 22 GLY HA2 1 23 LYS QG . . 5.100 4.702 4.030 5.094 . 0 0 "[ . 1 . 2]" 1 1310 1 21 CYS HA 1 22 GLY HA2 . . 4.400 4.396 4.383 4.409 0.009 5 0 "[ . 1 . 2]" 1 1311 1 22 GLY HA2 1 24 ALA H . . 4.570 4.408 4.287 4.571 0.001 17 0 "[ . 1 . 2]" 1 1312 1 26 GLY HA2 1 42 ILE MG . . 4.240 3.902 3.677 4.242 0.002 6 0 "[ . 1 . 2]" 1 1313 1 26 GLY HA2 1 44 ASN HA . . 3.310 2.242 1.998 2.623 . 0 0 "[ . 1 . 2]" 1 1314 1 19 VAL MG2 1 26 GLY HA3 . . 3.640 3.197 2.937 3.454 . 0 0 "[ . 1 . 2]" 1 1315 1 26 GLY HA3 1 44 ASN HA . . 3.210 2.587 2.025 2.927 . 0 0 "[ . 1 . 2]" 1 1316 1 36 GLY HA3 1 37 ALA MB . . 5.000 4.604 4.503 4.715 . 0 0 "[ . 1 . 2]" 1 1317 1 36 GLY HA2 1 37 ALA MB . . 4.570 3.995 3.940 4.056 . 0 0 "[ . 1 . 2]" 1 1318 1 43 GLN HG3 1 47 GLY HA3 . . 4.810 4.450 4.209 4.786 . 0 0 "[ . 1 . 2]" 1 1319 1 46 ALA MB 1 47 GLY HA3 . . 5.260 4.320 4.208 4.424 . 0 0 "[ . 1 . 2]" 1 1320 1 43 GLN HE21 1 47 GLY HA3 . . 4.070 3.859 3.579 4.035 . 0 0 "[ . 1 . 2]" 1 1321 1 43 GLN HE22 1 47 GLY HA3 . . 4.550 4.372 4.109 4.549 . 0 0 "[ . 1 . 2]" 1 1322 1 43 GLN HG3 1 47 GLY HA2 . . 3.820 3.310 2.987 3.635 . 0 0 "[ . 1 . 2]" 1 1323 1 43 GLN HG2 1 47 GLY HA2 . . 3.350 2.153 2.000 2.441 . 0 0 "[ . 1 . 2]" 1 1324 1 43 GLN HB3 1 47 GLY HA2 . . 4.520 4.304 4.048 4.528 0.008 18 0 "[ . 1 . 2]" 1 1325 1 23 LYS QG 1 59 GLY HA2 . . 4.770 2.327 1.862 3.015 . 0 0 "[ . 1 . 2]" 1 1326 1 23 LYS QG 1 59 GLY HA3 . . 5.350 3.534 3.129 3.974 . 0 0 "[ . 1 . 2]" 1 1327 1 69 GLY HA2 1 79 ARG HB2 . . 5.100 4.525 4.051 4.964 . 0 0 "[ . 1 . 2]" 1 1328 1 69 GLY HA2 1 77 THR HB . . 3.400 2.657 1.994 2.897 . 0 0 "[ . 1 . 2]" 1 1329 1 69 GLY HA3 1 70 VAL MG2 . . 5.500 4.432 4.366 4.546 . 0 0 "[ . 1 . 2]" 1 1330 1 69 GLY HA3 1 70 VAL MG1 . . 5.500 3.881 3.809 3.991 . 0 0 "[ . 1 . 2]" 1 1331 1 69 GLY HA3 1 77 THR HB . . 4.650 4.405 3.720 4.650 . 0 0 "[ . 1 . 2]" 1 1332 1 72 ARG HB3 1 75 GLY HA2 . . 4.080 3.382 3.023 3.598 . 0 0 "[ . 1 . 2]" 1 1333 1 85 GLY HA3 1 86 LEU HG . . 5.060 4.433 4.226 4.521 . 0 0 "[ . 1 . 2]" 1 1334 1 85 GLY HA2 1 87 LEU H . . 4.510 4.048 3.925 4.355 . 0 0 "[ . 1 . 2]" 1 1335 1 38 SER HB2 1 39 LYS H . . 4.290 3.574 2.658 4.131 . 0 0 "[ . 1 . 2]" 1 1336 1 64 SER HA 1 70 VAL MG1 . . 4.650 4.129 3.716 4.656 0.006 11 0 "[ . 1 . 2]" 1 1337 1 61 ARG HB3 1 64 SER HB2 . . 4.650 2.880 2.190 3.768 . 0 0 "[ . 1 . 2]" 1 1338 1 64 SER HB3 1 70 VAL MG1 . . 3.660 2.210 1.959 2.703 . 0 0 "[ . 1 . 2]" 1 1339 1 61 ARG HB3 1 64 SER HB3 . . 4.650 3.177 2.080 4.064 . 0 0 "[ . 1 . 2]" 1 1340 1 89 SER HA 1 90 GLY H . . 3.210 2.759 2.712 2.808 . 0 0 "[ . 1 . 2]" 1 1341 1 33 LEU HG 1 89 SER HA . . 5.100 4.652 4.150 5.105 0.005 18 0 "[ . 1 . 2]" 1 1342 1 23 LYS HA 1 23 LYS HB3 . . 3.020 2.409 2.324 2.481 . 0 0 "[ . 1 . 2]" 1 1343 1 84 LYS HA 1 84 LYS QG . . 3.540 2.445 2.354 2.819 . 0 0 "[ . 1 . 2]" 1 1344 1 23 LYS H 1 23 LYS HB2 . . 3.730 3.398 2.679 3.725 . 0 0 "[ . 1 . 2]" 1 1345 1 23 LYS HB3 1 24 ALA H . . 4.590 4.507 4.422 4.592 0.002 19 0 "[ . 1 . 2]" 1 1346 1 23 LYS H 1 23 LYS HB3 . . 3.730 3.175 2.857 3.689 . 0 0 "[ . 1 . 2]" 1 1347 1 25 LYS HA 1 25 LYS HG2 . . 3.880 2.814 2.514 3.712 . 0 0 "[ . 1 . 2]" 1 1348 1 23 LYS HA 1 23 LYS QD . . 4.380 3.634 2.125 4.378 . 0 0 "[ . 1 . 2]" 1 1349 1 23 LYS HA 1 23 LYS QE . . 5.500 4.571 3.536 5.338 . 0 0 "[ . 1 . 2]" 1 1350 1 65 LYS HA 1 65 LYS QE . . 5.500 4.334 3.692 4.868 . 0 0 "[ . 1 . 2]" 1 1351 1 19 VAL MG2 1 25 LYS HA . . 4.370 4.114 3.756 4.292 . 0 0 "[ . 1 . 2]" 1 1352 1 24 ALA MB 1 25 LYS HA . . 4.080 3.902 3.795 3.969 . 0 0 "[ . 1 . 2]" 1 1353 1 20 THR MG 1 25 LYS HA . . 3.240 2.489 2.049 2.777 . 0 0 "[ . 1 . 2]" 1 1354 1 20 THR HB 1 25 LYS HA . . 4.070 3.891 3.632 4.076 0.006 2 0 "[ . 1 . 2]" 1 1355 1 21 CYS H 1 25 LYS HA . . 3.820 3.367 2.941 3.525 . 0 0 "[ . 1 . 2]" 1 1356 1 20 THR MG 1 25 LYS HB2 . . 4.090 3.700 1.898 4.057 . 0 0 "[ . 1 . 2]" 1 1357 1 25 LYS HB2 1 26 GLY H . . 4.090 3.924 2.776 4.089 . 0 0 "[ . 1 . 2]" 1 1358 1 20 THR MG 1 25 LYS HB3 . . 4.090 2.571 1.972 2.841 . 0 0 "[ . 1 . 2]" 1 1359 1 25 LYS HB3 1 25 LYS QE . . 4.280 3.140 1.988 4.151 . 0 0 "[ . 1 . 2]" 1 1360 1 25 LYS H 1 25 LYS HB3 . . 3.940 3.814 3.161 3.910 . 0 0 "[ . 1 . 2]" 1 1361 1 25 LYS HB3 1 26 GLY H . . 4.090 3.223 3.038 4.111 0.021 2 0 "[ . 1 . 2]" 1 1362 1 25 LYS HA 1 25 LYS HG3 . . 3.880 3.151 2.533 3.790 . 0 0 "[ . 1 . 2]" 1 1363 1 25 LYS QE 1 25 LYS HG3 . . 3.640 2.740 2.078 3.460 . 0 0 "[ . 1 . 2]" 1 1364 1 25 LYS QE 1 25 LYS HG2 . . 3.640 2.781 2.132 3.478 . 0 0 "[ . 1 . 2]" 1 1365 1 25 LYS HB2 1 25 LYS QE . . 4.280 3.096 2.090 4.082 . 0 0 "[ . 1 . 2]" 1 1366 1 32 LYS HA 1 32 LYS HG2 . . 2.870 2.777 2.713 2.874 0.004 18 0 "[ . 1 . 2]" 1 1367 1 32 LYS HA 1 32 LYS HB3 . . 2.870 2.639 2.569 2.662 . 0 0 "[ . 1 . 2]" 1 1368 1 32 LYS HA 1 33 LEU HB2 . . 5.500 5.589 5.546 5.646 0.146 13 0 "[ . 1 . 2]" 1 1369 1 31 GLU QB 1 32 LYS HA . . 4.940 4.380 4.231 4.502 . 0 0 "[ . 1 . 2]" 1 1370 1 32 LYS HA 1 35 GLN HB2 . . 5.250 4.111 3.693 4.592 . 0 0 "[ . 1 . 2]" 1 1371 1 32 LYS HA 1 35 GLN H . . 4.450 3.995 3.641 4.213 . 0 0 "[ . 1 . 2]" 1 1372 1 29 PHE HB3 1 32 LYS HB2 . . 3.610 3.015 2.904 3.178 . 0 0 "[ . 1 . 2]" 1 1373 1 32 LYS HB2 1 33 LEU H . . 3.730 3.435 3.169 3.609 . 0 0 "[ . 1 . 2]" 1 1374 1 29 PHE HB2 1 32 LYS HB3 . . 3.930 3.601 3.547 3.726 . 0 0 "[ . 1 . 2]" 1 1375 1 32 LYS HB3 1 41 CYS HA . . 3.400 2.331 2.072 2.540 . 0 0 "[ . 1 . 2]" 1 1376 1 32 LYS H 1 32 LYS HB3 . . 3.600 3.518 3.500 3.576 . 0 0 "[ . 1 . 2]" 1 1377 1 32 LYS HB3 1 33 LEU H . . 4.240 3.945 3.712 4.126 . 0 0 "[ . 1 . 2]" 1 1378 1 32 LYS HA 1 32 LYS HG3 . . 3.450 2.456 2.412 2.537 . 0 0 "[ . 1 . 2]" 1 1379 1 32 LYS H 1 32 LYS HG2 . . 4.320 4.284 4.179 4.330 0.010 3 0 "[ . 1 . 2]" 1 1380 1 29 PHE HB2 1 32 LYS HD3 . . 3.930 3.484 3.190 3.813 . 0 0 "[ . 1 . 2]" 1 1381 1 32 LYS HA 1 32 LYS HD3 . . 4.620 4.585 4.547 4.640 0.020 18 0 "[ . 1 . 2]" 1 1382 1 32 LYS HD3 1 41 CYS HA . . 3.720 2.757 2.482 3.148 . 0 0 "[ . 1 . 2]" 1 1383 1 79 ARG HB2 1 79 ARG HE . . 5.500 3.072 2.406 4.001 . 0 0 "[ . 1 . 2]" 1 1384 1 32 LYS HB3 1 32 LYS HD2 . . 3.570 3.315 3.212 3.440 . 0 0 "[ . 1 . 2]" 1 1385 1 32 LYS HB2 1 32 LYS HD2 . . 3.500 2.283 2.183 2.414 . 0 0 "[ . 1 . 2]" 1 1386 1 32 LYS HA 1 32 LYS HD2 . . 4.530 4.375 4.334 4.443 . 0 0 "[ . 1 . 2]" 1 1387 1 32 LYS HD2 1 41 CYS HA . . 3.970 3.649 3.331 3.976 0.006 18 0 "[ . 1 . 2]" 1 1388 1 32 LYS H 1 32 LYS HD2 . . 4.280 3.612 3.348 3.771 . 0 0 "[ . 1 . 2]" 1 1389 1 34 LYS QD 1 34 LYS HG3 . . 2.740 2.337 2.156 2.477 . 0 0 "[ . 1 . 2]" 1 1390 1 34 LYS QD 1 34 LYS HG2 . . 2.740 2.312 2.155 2.475 . 0 0 "[ . 1 . 2]" 1 1391 1 34 LYS HA 1 34 LYS QD . . 4.680 4.083 3.794 4.477 . 0 0 "[ . 1 . 2]" 1 1392 1 81 LEU HA 1 84 LYS QD . . 5.050 2.783 2.472 4.938 . 0 0 "[ . 1 . 2]" 1 1393 1 34 LYS QB 1 34 LYS QE . . 3.820 2.961 1.976 3.654 . 0 0 "[ . 1 . 2]" 1 1394 1 34 LYS HA 1 34 LYS QE . . 5.500 4.613 3.966 5.558 0.058 11 0 "[ . 1 . 2]" 1 1395 1 31 GLU HA 1 34 LYS QE . . 4.820 3.448 1.990 4.782 . 0 0 "[ . 1 . 2]" 1 1396 1 39 LYS H 1 39 LYS HG2 . . 4.090 2.882 2.043 4.146 0.056 15 0 "[ . 1 . 2]" 1 1397 1 39 LYS HA 1 39 LYS HG2 . . 3.940 2.932 2.296 3.600 . 0 0 "[ . 1 . 2]" 1 1398 1 39 LYS HA 1 39 LYS HG3 . . 3.940 3.353 2.358 3.861 . 0 0 "[ . 1 . 2]" 1 1399 1 35 GLN HB2 1 39 LYS QD . . 4.700 3.702 2.234 4.716 0.016 19 0 "[ . 1 . 2]" 1 1400 1 39 LYS HA 1 39 LYS QD . . 3.590 2.898 2.014 3.621 0.031 5 0 "[ . 1 . 2]" 1 1401 1 39 LYS QD 1 40 LYS H . . 5.350 4.177 3.572 5.094 . 0 0 "[ . 1 . 2]" 1 1402 1 40 LYS HA 1 40 LYS HD3 . . 3.180 2.703 2.604 2.852 . 0 0 "[ . 1 . 2]" 1 1403 1 40 LYS HA 1 41 CYS HG . . 5.070 4.806 4.625 5.030 . 0 0 "[ . 1 . 2]" 1 1404 1 40 LYS HA 1 49 TRP HB3 . . 4.080 3.782 3.726 3.849 . 0 0 "[ . 1 . 2]" 1 1405 1 40 LYS HA 1 40 LYS QE . . 5.260 4.406 4.312 4.553 . 0 0 "[ . 1 . 2]" 1 1406 1 40 LYS HA 1 49 TRP HB2 . . 5.500 4.790 4.695 4.874 . 0 0 "[ . 1 . 2]" 1 1407 1 40 LYS HA 1 51 THR HA . . 2.940 2.224 2.118 2.283 . 0 0 "[ . 1 . 2]" 1 1408 1 40 LYS HA 1 42 ILE H . . 3.660 3.495 3.404 3.558 . 0 0 "[ . 1 . 2]" 1 1409 1 40 LYS HB3 1 49 TRP HB3 . . 3.310 1.985 1.968 1.997 . 0 0 "[ . 1 . 2]" 1 1410 1 40 LYS H 1 40 LYS HB3 . . 3.720 3.585 3.581 3.597 . 0 0 "[ . 1 . 2]" 1 1411 1 40 LYS HA 1 40 LYS HG2 . . 3.720 2.887 2.834 2.946 . 0 0 "[ . 1 . 2]" 1 1412 1 40 LYS QE 1 40 LYS HG2 . . 3.820 2.620 2.432 3.148 . 0 0 "[ . 1 . 2]" 1 1413 1 40 LYS H 1 40 LYS HG2 . . 4.340 1.894 1.872 1.961 . 0 0 "[ . 1 . 2]" 1 1414 1 40 LYS HG2 1 51 THR MG . . 3.720 2.239 1.951 2.416 . 0 0 "[ . 1 . 2]" 1 1415 1 40 LYS HB2 1 40 LYS HG2 . . 2.950 2.659 2.631 2.690 . 0 0 "[ . 1 . 2]" 1 1416 1 40 LYS HG2 1 49 TRP HB3 . . 4.850 4.838 4.763 4.871 0.021 19 0 "[ . 1 . 2]" 1 1417 1 40 LYS HA 1 40 LYS HG3 . . 3.910 3.876 3.859 3.906 . 0 0 "[ . 1 . 2]" 1 1418 1 23 LYS HA 1 23 LYS QG . . 3.440 3.249 2.571 3.436 . 0 0 "[ . 1 . 2]" 1 1419 1 40 LYS H 1 40 LYS HD2 . . 4.580 4.545 4.504 4.594 0.014 15 0 "[ . 1 . 2]" 1 1420 1 40 LYS HD2 1 50 LEU HA . . 4.280 2.051 1.991 2.285 . 0 0 "[ . 1 . 2]" 1 1421 1 40 LYS HA 1 40 LYS HD2 . . 3.720 3.487 3.412 3.688 . 0 0 "[ . 1 . 2]" 1 1422 1 40 LYS HD2 1 49 TRP HB3 . . 3.920 3.796 3.730 3.929 0.009 12 0 "[ . 1 . 2]" 1 1423 1 40 LYS HB2 1 40 LYS HD2 . . 3.450 3.436 3.378 3.485 0.035 10 0 "[ . 1 . 2]" 1 1424 1 40 LYS HD2 1 51 THR MG . . 3.720 3.257 3.170 3.467 . 0 0 "[ . 1 . 2]" 1 1425 1 53 LYS HA 1 53 LYS HG3 . . 3.660 2.790 2.287 3.552 . 0 0 "[ . 1 . 2]" 1 1426 1 53 LYS HA 1 53 LYS QB . . 2.630 2.437 2.341 2.483 . 0 0 "[ . 1 . 2]" 1 1427 1 52 VAL MG1 1 53 LYS QB . . 5.420 4.349 4.074 4.740 . 0 0 "[ . 1 . 2]" 1 1428 1 53 LYS QB 1 54 GLU HB2 . . 5.180 4.401 4.284 4.501 . 0 0 "[ . 1 . 2]" 1 1429 1 53 LYS QB 1 54 GLU QG . . 5.360 3.821 3.525 4.664 . 0 0 "[ . 1 . 2]" 1 1430 1 53 LYS QB 1 53 LYS QE . . 3.930 2.851 2.060 3.665 . 0 0 "[ . 1 . 2]" 1 1431 1 53 LYS HA 1 53 LYS HG2 . . 3.660 2.844 2.265 3.664 0.004 7 0 "[ . 1 . 2]" 1 1432 1 53 LYS H 1 53 LYS HG2 . . 4.920 4.327 3.676 4.684 . 0 0 "[ . 1 . 2]" 1 1433 1 53 LYS H 1 53 LYS HG3 . . 4.920 4.007 2.754 4.702 . 0 0 "[ . 1 . 2]" 1 1434 1 68 LYS HA 1 68 LYS HG3 . . 3.400 2.926 2.835 3.075 . 0 0 "[ . 1 . 2]" 1 1435 1 68 LYS HA 1 68 LYS HG2 . . 3.120 2.609 2.451 2.822 . 0 0 "[ . 1 . 2]" 1 1436 1 68 LYS HA 1 68 LYS HB3 . . 2.900 2.508 2.449 2.548 . 0 0 "[ . 1 . 2]" 1 1437 1 68 LYS HA 1 78 LEU HB2 . . 2.840 2.392 2.217 2.515 . 0 0 "[ . 1 . 2]" 1 1438 1 67 TRP HZ3 1 68 LYS HA . . 4.080 3.991 3.784 4.090 0.010 5 0 "[ . 1 . 2]" 1 1439 1 68 LYS HB2 1 79 ARG HB2 . . 3.500 3.177 2.727 3.442 . 0 0 "[ . 1 . 2]" 1 1440 1 68 LYS HB2 1 79 ARG HB3 . . 5.050 4.581 3.976 4.988 . 0 0 "[ . 1 . 2]" 1 1441 1 68 LYS HB2 1 78 LEU HB2 . . 4.300 3.964 3.785 4.276 . 0 0 "[ . 1 . 2]" 1 1442 1 68 LYS HB2 1 79 ARG H . . 4.240 3.992 3.596 4.226 . 0 0 "[ . 1 . 2]" 1 1443 1 68 LYS HB3 1 79 ARG HB2 . . 3.310 2.644 2.404 2.819 . 0 0 "[ . 1 . 2]" 1 1444 1 68 LYS HB3 1 79 ARG HB3 . . 4.270 3.818 3.560 4.112 . 0 0 "[ . 1 . 2]" 1 1445 1 68 LYS HB3 1 79 ARG HA . . 3.720 3.451 3.227 3.567 . 0 0 "[ . 1 . 2]" 1 1446 1 68 LYS HB3 1 69 GLY H . . 5.120 3.929 3.821 4.126 . 0 0 "[ . 1 . 2]" 1 1447 1 68 LYS HE2 1 68 LYS HG3 . . 3.620 2.890 2.373 3.344 . 0 0 "[ . 1 . 2]" 1 1448 1 68 LYS HE2 1 68 LYS HG2 . . 3.800 2.737 2.394 2.907 . 0 0 "[ . 1 . 2]" 1 1449 1 67 TRP HZ2 1 68 LYS HE2 . . 3.700 2.571 2.006 3.672 . 0 0 "[ . 1 . 2]" 1 1450 1 68 LYS HE3 1 68 LYS HG3 . . 3.620 2.501 2.238 3.625 0.005 9 0 "[ . 1 . 2]" 1 1451 1 68 LYS HE3 1 68 LYS HG2 . . 3.800 3.237 2.766 3.777 . 0 0 "[ . 1 . 2]" 1 1452 1 67 TRP HZ2 1 68 LYS HE3 . . 3.700 2.632 2.057 3.592 . 0 0 "[ . 1 . 2]" 1 1453 1 84 LYS HA 1 84 LYS HB3 . . 2.810 2.528 2.435 2.589 . 0 0 "[ . 1 . 2]" 1 1454 1 84 LYS HA 1 86 LEU HG . . 4.540 4.251 4.156 4.521 . 0 0 "[ . 1 . 2]" 1 1455 1 81 LEU HA 1 84 LYS HB3 . . 4.690 4.592 4.395 4.691 0.001 6 0 "[ . 1 . 2]" 1 1456 1 84 LYS HB3 1 86 LEU MD1 . . 3.310 2.639 2.165 2.959 . 0 0 "[ . 1 . 2]" 1 1457 1 84 LYS HB2 1 86 LEU MD1 . . 4.150 2.123 1.892 2.291 . 0 0 "[ . 1 . 2]" 1 1458 1 84 LYS HB2 1 86 LEU HG . . 2.820 2.264 2.154 2.490 . 0 0 "[ . 1 . 2]" 1 1459 1 84 LYS HB3 1 84 LYS QD . . 3.400 2.991 2.515 3.084 . 0 0 "[ . 1 . 2]" 1 1460 1 84 LYS HA 1 84 LYS QD . . 4.130 4.016 2.288 4.125 . 0 0 "[ . 1 . 2]" 1 1461 1 83 GLN H 1 84 LYS QD . . 5.500 5.139 4.970 5.545 0.045 19 0 "[ . 1 . 2]" 1 1462 1 84 LYS HB3 1 84 LYS HE2 . . 4.680 3.244 2.469 4.049 . 0 0 "[ . 1 . 2]" 1 1463 1 84 LYS HE3 1 86 LEU MD1 . . 4.460 2.989 1.978 3.978 . 0 0 "[ . 1 . 2]" 1 1464 1 84 LYS HB3 1 84 LYS HE3 . . 4.680 2.908 2.092 3.761 . 0 0 "[ . 1 . 2]" 1 1465 1 17 LEU HB3 1 17 LEU MD1 . . 2.900 2.443 2.314 2.520 . 0 0 "[ . 1 . 2]" 1 1466 1 17 LEU HB3 1 28 LEU HB3 . . 4.650 4.556 4.426 4.653 0.003 13 0 "[ . 1 . 2]" 1 1467 1 17 LEU HB3 1 18 PRO HG2 . . 5.500 4.196 4.107 4.276 . 0 0 "[ . 1 . 2]" 1 1468 1 17 LEU HB3 1 73 CYS HB3 . . 5.500 5.123 4.680 5.407 . 0 0 "[ . 1 . 2]" 1 1469 1 17 LEU HB2 1 17 LEU MD2 . . 3.570 3.185 3.172 3.196 . 0 0 "[ . 1 . 2]" 1 1470 1 17 LEU HB2 1 28 LEU HB3 . . 3.210 2.883 2.763 2.971 . 0 0 "[ . 1 . 2]" 1 1471 1 17 LEU HA 1 17 LEU HG . . 3.640 3.161 3.118 3.196 . 0 0 "[ . 1 . 2]" 1 1472 1 17 LEU H 1 17 LEU HG . . 3.720 2.911 2.842 2.971 . 0 0 "[ . 1 . 2]" 1 1473 1 17 LEU HB3 1 17 LEU MD2 . . 2.890 2.303 2.200 2.393 . 0 0 "[ . 1 . 2]" 1 1474 1 17 LEU MD2 1 30 GLN HG2 . . 4.660 4.620 4.525 4.667 0.007 1 0 "[ . 1 . 2]" 1 1475 1 17 LEU MD2 1 18 PRO HG2 . . 5.020 4.826 4.700 4.931 . 0 0 "[ . 1 . 2]" 1 1476 1 17 LEU MD2 1 18 PRO HD2 . . 3.400 2.899 2.729 3.073 . 0 0 "[ . 1 . 2]" 1 1477 1 17 LEU MD2 1 18 PRO HD3 . . 3.750 3.582 3.480 3.712 . 0 0 "[ . 1 . 2]" 1 1478 1 17 LEU HA 1 17 LEU MD2 . . 2.720 2.148 2.006 2.335 . 0 0 "[ . 1 . 2]" 1 1479 1 17 LEU MD2 1 30 GLN HE22 . . 4.490 4.328 4.114 4.492 0.002 13 0 "[ . 1 . 2]" 1 1480 1 17 LEU MD2 1 30 GLN HE21 . . 4.630 4.432 4.178 4.634 0.004 17 0 "[ . 1 . 2]" 1 1481 1 17 LEU MD2 1 30 GLN H . . 5.500 5.472 5.362 5.506 0.006 2 0 "[ . 1 . 2]" 1 1482 1 17 LEU H 1 17 LEU MD2 . . 3.870 3.785 3.699 3.870 0.000 11 0 "[ . 1 . 2]" 1 1483 1 17 LEU HB2 1 17 LEU MD1 . . 2.900 2.203 2.142 2.333 . 0 0 "[ . 1 . 2]" 1 1484 1 17 LEU MD1 1 28 LEU HB3 . . 4.770 3.892 3.711 4.127 . 0 0 "[ . 1 . 2]" 1 1485 1 17 LEU MD1 1 30 GLN HG2 . . 3.640 3.045 2.729 3.229 . 0 0 "[ . 1 . 2]" 1 1486 1 17 LEU MD1 1 30 GLN HG3 . . 4.040 3.914 3.669 4.070 0.030 19 0 "[ . 1 . 2]" 1 1487 1 17 LEU MD1 1 73 CYS HB3 . . 5.350 5.154 4.776 5.362 0.012 8 0 "[ . 1 . 2]" 1 1488 1 17 LEU MD1 1 73 CYS HB2 . . 5.100 4.760 4.373 5.101 0.001 13 0 "[ . 1 . 2]" 1 1489 1 17 LEU MD1 1 30 GLN HA . . 5.350 5.154 4.895 5.344 . 0 0 "[ . 1 . 2]" 1 1490 1 17 LEU MD1 1 87 LEU HA . . 4.080 3.199 2.905 3.421 . 0 0 "[ . 1 . 2]" 1 1491 1 17 LEU HA 1 17 LEU MD1 . . 3.950 3.919 3.894 3.940 . 0 0 "[ . 1 . 2]" 1 1492 1 17 LEU MD1 1 30 GLN HE22 . . 3.820 3.089 2.617 3.323 . 0 0 "[ . 1 . 2]" 1 1493 1 17 LEU H 1 17 LEU MD1 . . 4.280 4.064 3.993 4.126 . 0 0 "[ . 1 . 2]" 1 1494 1 17 LEU MD1 1 87 LEU HB2 . . 4.550 3.561 3.320 3.722 . 0 0 "[ . 1 . 2]" 1 1495 1 19 VAL MG2 1 28 LEU HB2 . . 3.560 2.942 2.711 3.142 . 0 0 "[ . 1 . 2]" 1 1496 1 28 LEU HB2 1 42 ILE HG12 . . 3.830 2.834 2.656 2.976 . 0 0 "[ . 1 . 2]" 1 1497 1 17 LEU H 1 28 LEU HB2 . . 4.920 4.928 4.891 4.951 0.031 19 0 "[ . 1 . 2]" 1 1498 1 28 LEU HB2 1 28 LEU HG . . 2.970 2.974 2.971 2.977 0.007 15 0 "[ . 1 . 2]" 1 1499 1 28 LEU HB3 1 28 LEU HG . . 3.010 2.671 2.664 2.677 . 0 0 "[ . 1 . 2]" 1 1500 1 28 LEU HG 1 30 GLN HA . . 3.930 3.721 3.679 3.772 . 0 0 "[ . 1 . 2]" 1 1501 1 28 LEU MD1 1 42 ILE MG . . 4.620 4.418 4.151 4.595 . 0 0 "[ . 1 . 2]" 1 1502 1 28 LEU HB2 1 28 LEU MD1 . . 2.790 2.088 2.009 2.200 . 0 0 "[ . 1 . 2]" 1 1503 1 86 LEU HB2 1 86 LEU MD1 . . 3.300 2.193 2.054 2.335 . 0 0 "[ . 1 . 2]" 1 1504 1 28 LEU MD1 1 33 LEU HB2 . . 2.990 2.176 2.015 2.452 . 0 0 "[ . 1 . 2]" 1 1505 1 28 LEU HB3 1 28 LEU MD1 . . 3.600 3.116 3.104 3.129 . 0 0 "[ . 1 . 2]" 1 1506 1 28 LEU MD1 1 41 CYS HB3 . . 3.980 3.764 3.451 3.981 0.001 16 0 "[ . 1 . 2]" 1 1507 1 28 LEU MD1 1 41 CYS HB2 . . 3.400 2.771 2.297 3.121 . 0 0 "[ . 1 . 2]" 1 1508 1 28 LEU MD1 1 42 ILE HA . . 4.020 3.866 3.623 4.030 0.010 10 0 "[ . 1 . 2]" 1 1509 1 28 LEU MD1 1 67 TRP HZ3 . . 4.080 3.209 2.919 3.549 . 0 0 "[ . 1 . 2]" 1 1510 1 28 LEU MD1 1 33 LEU H . . 4.830 4.408 4.050 4.651 . 0 0 "[ . 1 . 2]" 1 1511 1 28 LEU MD1 1 29 PHE H . . 3.070 2.932 2.758 3.073 0.003 4 0 "[ . 1 . 2]" 1 1512 1 28 LEU HB2 1 28 LEU MD2 . . 3.670 2.670 2.638 2.708 . 0 0 "[ . 1 . 2]" 1 1513 1 28 LEU HB3 1 28 LEU MD2 . . 2.790 2.002 1.965 2.151 . 0 0 "[ . 1 . 2]" 1 1514 1 28 LEU MD2 1 30 GLN HB3 . . 4.940 4.681 4.511 4.795 . 0 0 "[ . 1 . 2]" 1 1515 1 28 LEU MD2 1 30 GLN HG3 . . 4.650 4.499 4.387 4.615 . 0 0 "[ . 1 . 2]" 1 1516 1 28 LEU MD2 1 30 GLN HA . . 3.610 3.578 3.499 3.622 0.012 10 0 "[ . 1 . 2]" 1 1517 1 28 LEU MD2 1 67 TRP HZ3 . . 4.280 3.269 2.996 3.555 . 0 0 "[ . 1 . 2]" 1 1518 1 28 LEU MD2 1 88 PHE QD . . 4.840 4.157 3.927 4.332 . 0 0 "[ . 1 . 2]" 1 1519 1 28 LEU MD2 1 30 GLN H . . 4.080 3.889 3.845 3.976 . 0 0 "[ . 1 . 2]" 1 1520 1 28 LEU MD2 1 29 PHE H . . 4.400 4.266 4.190 4.343 . 0 0 "[ . 1 . 2]" 1 1521 1 28 LEU H 1 28 LEU MD2 . . 4.090 4.047 3.999 4.111 0.021 6 0 "[ . 1 . 2]" 1 1522 1 33 LEU HA 1 33 LEU HB2 . . 2.860 2.496 2.429 2.561 . 0 0 "[ . 1 . 2]" 1 1523 1 33 LEU HA 1 41 CYS HB2 . . 3.870 3.704 3.424 3.868 . 0 0 "[ . 1 . 2]" 1 1524 1 33 LEU HA 1 34 LYS H . . 3.560 3.512 3.482 3.547 . 0 0 "[ . 1 . 2]" 1 1525 1 33 LEU HB3 1 33 LEU HG . . 3.010 2.498 2.440 2.556 . 0 0 "[ . 1 . 2]" 1 1526 1 30 GLN HA 1 33 LEU HB3 . . 4.030 2.217 2.068 2.377 . 0 0 "[ . 1 . 2]" 1 1527 1 33 LEU HB2 1 34 LYS H . . 4.100 3.876 3.724 4.009 . 0 0 "[ . 1 . 2]" 1 1528 1 33 LEU HG 1 88 PHE HZ . . 4.920 3.385 2.701 3.823 . 0 0 "[ . 1 . 2]" 1 1529 1 33 LEU MD1 1 52 VAL MG1 . . 5.420 3.823 3.419 4.024 . 0 0 "[ . 1 . 2]" 1 1530 1 33 LEU HB2 1 33 LEU MD1 . . 3.180 2.283 2.187 2.374 . 0 0 "[ . 1 . 2]" 1 1531 1 33 LEU HB3 1 33 LEU MD1 . . 3.200 3.185 3.175 3.197 . 0 0 "[ . 1 . 2]" 1 1532 1 33 LEU MD1 1 41 CYS HB2 . . 4.830 3.445 2.821 3.748 . 0 0 "[ . 1 . 2]" 1 1533 1 33 LEU HA 1 33 LEU MD1 . . 3.930 2.132 1.960 2.274 . 0 0 "[ . 1 . 2]" 1 1534 1 33 LEU MD1 1 67 TRP HZ3 . . 4.770 3.903 3.538 4.200 . 0 0 "[ . 1 . 2]" 1 1535 1 33 LEU MD2 1 52 VAL MG2 . . 5.420 3.974 3.644 4.279 . 0 0 "[ . 1 . 2]" 1 1536 1 33 LEU MD2 1 52 VAL MG1 . . 5.420 4.979 4.672 5.229 . 0 0 "[ . 1 . 2]" 1 1537 1 33 LEU HB2 1 33 LEU MD2 . . 3.180 2.433 2.291 2.554 . 0 0 "[ . 1 . 2]" 1 1538 1 33 LEU HB3 1 33 LEU MD2 . . 3.200 2.249 2.121 2.345 . 0 0 "[ . 1 . 2]" 1 1539 1 33 LEU MD2 1 41 CYS HB2 . . 4.830 4.674 4.409 4.833 0.003 3 0 "[ . 1 . 2]" 1 1540 1 33 LEU HA 1 33 LEU MD2 . . 3.930 3.869 3.830 3.919 . 0 0 "[ . 1 . 2]" 1 1541 1 33 LEU MD2 1 67 TRP HZ3 . . 4.770 3.517 3.110 3.959 . 0 0 "[ . 1 . 2]" 1 1542 1 33 LEU MD2 1 67 TRP HH2 . . 3.510 2.390 2.076 2.816 . 0 0 "[ . 1 . 2]" 1 1543 1 40 LYS HD3 1 50 LEU HA . . 3.820 2.475 2.040 2.658 . 0 0 "[ . 1 . 2]" 1 1544 1 50 LEU HA 1 54 GLU HB3 . . 3.930 3.718 3.443 3.939 0.009 19 0 "[ . 1 . 2]" 1 1545 1 50 LEU HB3 1 50 LEU MD2 . . 3.310 2.316 2.042 3.167 . 0 0 "[ . 1 . 2]" 1 1546 1 42 ILE HB 1 50 LEU HB3 . . 4.280 4.166 4.055 4.287 0.007 13 0 "[ . 1 . 2]" 1 1547 1 50 LEU HB3 1 54 GLU HB3 . . 3.450 2.251 2.029 2.413 . 0 0 "[ . 1 . 2]" 1 1548 1 50 LEU HB3 1 55 PHE HB2 . . 3.850 3.491 3.084 3.843 . 0 0 "[ . 1 . 2]" 1 1549 1 50 LEU H 1 50 LEU HB3 . . 3.930 3.877 3.824 3.904 . 0 0 "[ . 1 . 2]" 1 1550 1 42 ILE MD 1 50 LEU HB2 . . 4.280 3.893 3.545 4.036 . 0 0 "[ . 1 . 2]" 1 1551 1 50 LEU HB2 1 54 GLU HB3 . . 4.160 3.960 3.689 4.149 . 0 0 "[ . 1 . 2]" 1 1552 1 50 LEU HB2 1 51 THR H . . 4.060 3.935 3.879 3.998 . 0 0 "[ . 1 . 2]" 1 1553 1 44 ASN HB3 1 50 LEU HG . . 4.280 3.890 3.591 4.151 . 0 0 "[ . 1 . 2]" 1 1554 1 49 TRP HA 1 50 LEU HG . . 5.350 3.822 3.450 5.426 0.076 7 0 "[ . 1 . 2]" 1 1555 1 50 LEU HA 1 50 LEU HG . . 3.820 3.004 2.803 3.752 . 0 0 "[ . 1 . 2]" 1 1556 1 50 LEU H 1 50 LEU HG . . 4.380 3.321 3.046 4.375 . 0 0 "[ . 1 . 2]" 1 1557 1 50 LEU HB3 1 50 LEU MD1 . . 3.310 2.601 2.442 2.691 . 0 0 "[ . 1 . 2]" 1 1558 1 48 ASP HB2 1 50 LEU MD1 . . 4.790 4.160 3.628 4.483 . 0 0 "[ . 1 . 2]" 1 1559 1 50 LEU HA 1 50 LEU MD1 . . 3.960 3.629 1.919 3.947 . 0 0 "[ . 1 . 2]" 1 1560 1 44 ASN HD22 1 50 LEU MD1 . . 4.930 4.042 3.494 4.523 . 0 0 "[ . 1 . 2]" 1 1561 1 50 LEU MD1 1 55 PHE H . . 4.770 3.988 3.689 4.400 . 0 0 "[ . 1 . 2]" 1 1562 1 44 ASN HD21 1 50 LEU MD1 . . 4.480 3.140 2.582 4.017 . 0 0 "[ . 1 . 2]" 1 1563 1 50 LEU H 1 50 LEU MD1 . . 4.340 3.808 3.389 4.029 . 0 0 "[ . 1 . 2]" 1 1564 1 48 ASP HB2 1 50 LEU MD2 . . 4.790 4.140 3.631 4.551 . 0 0 "[ . 1 . 2]" 1 1565 1 50 LEU MD2 1 55 PHE HA . . 4.310 3.958 3.716 4.321 0.011 8 0 "[ . 1 . 2]" 1 1566 1 50 LEU HA 1 50 LEU MD2 . . 3.960 2.532 2.154 3.266 . 0 0 "[ . 1 . 2]" 1 1567 1 44 ASN HD21 1 50 LEU MD2 . . 4.480 4.067 2.451 4.480 0.000 2 0 "[ . 1 . 2]" 1 1568 1 56 LEU HA 1 58 GLU H . . 4.390 4.240 4.144 4.322 . 0 0 "[ . 1 . 2]" 1 1569 1 56 LEU HA 1 57 ASN H . . 3.570 3.564 3.556 3.571 0.001 8 0 "[ . 1 . 2]" 1 1570 1 53 LYS HA 1 56 LEU HB2 . . 3.720 3.547 3.427 3.666 . 0 0 "[ . 1 . 2]" 1 1571 1 56 LEU H 1 56 LEU HB2 . . 2.920 2.728 2.652 2.805 . 0 0 "[ . 1 . 2]" 1 1572 1 56 LEU HB3 1 61 ARG HB3 . . 3.930 3.214 2.593 3.661 . 0 0 "[ . 1 . 2]" 1 1573 1 53 LYS HA 1 56 LEU HB3 . . 4.830 4.788 4.733 4.842 0.012 20 0 "[ . 1 . 2]" 1 1574 1 56 LEU HA 1 56 LEU HB3 . . 2.970 2.370 2.333 2.406 . 0 0 "[ . 1 . 2]" 1 1575 1 56 LEU HB3 1 57 ASN H . . 3.810 3.601 3.472 3.764 . 0 0 "[ . 1 . 2]" 1 1576 1 56 LEU HG 1 71 ILE MD . . 4.420 3.745 3.419 4.116 . 0 0 "[ . 1 . 2]" 1 1577 1 53 LYS HA 1 56 LEU HG . . 3.570 2.637 2.310 3.088 . 0 0 "[ . 1 . 2]" 1 1578 1 56 LEU HA 1 56 LEU HG . . 3.550 3.312 3.141 3.462 . 0 0 "[ . 1 . 2]" 1 1579 1 56 LEU HG 1 57 ASN H . . 4.880 3.845 3.702 3.996 . 0 0 "[ . 1 . 2]" 1 1580 1 56 LEU MD1 1 71 ILE MD . . 3.880 3.694 3.358 3.884 0.004 3 0 "[ . 1 . 2]" 1 1581 1 56 LEU HB3 1 56 LEU MD1 . . 2.940 2.333 2.206 2.473 . 0 0 "[ . 1 . 2]" 1 1582 1 56 LEU MD1 1 61 ARG HB3 . . 4.930 3.885 3.476 4.364 . 0 0 "[ . 1 . 2]" 1 1583 1 56 LEU MD1 1 71 ILE HG13 . . 4.400 4.146 3.826 4.390 . 0 0 "[ . 1 . 2]" 1 1584 1 56 LEU MD1 1 67 TRP HB3 . . 3.500 2.180 1.970 2.391 . 0 0 "[ . 1 . 2]" 1 1585 1 56 LEU MD1 1 67 TRP HB2 . . 3.360 2.975 2.642 3.272 . 0 0 "[ . 1 . 2]" 1 1586 1 56 LEU HA 1 56 LEU MD1 . . 3.960 3.898 3.854 3.959 . 0 0 "[ . 1 . 2]" 1 1587 1 56 LEU MD1 1 67 TRP HA . . 3.280 2.587 2.244 2.821 . 0 0 "[ . 1 . 2]" 1 1588 1 56 LEU MD1 1 67 TRP HD1 . . 5.500 4.302 4.068 4.517 . 0 0 "[ . 1 . 2]" 1 1589 1 56 LEU MD1 1 71 ILE H . . 5.500 5.158 4.942 5.301 . 0 0 "[ . 1 . 2]" 1 1590 1 56 LEU H 1 56 LEU MD1 . . 3.720 3.524 3.347 3.601 . 0 0 "[ . 1 . 2]" 1 1591 1 56 LEU MD2 1 71 ILE MD . . 3.880 2.206 1.932 2.596 . 0 0 "[ . 1 . 2]" 1 1592 1 56 LEU HB3 1 56 LEU MD2 . . 2.940 2.306 2.167 2.480 . 0 0 "[ . 1 . 2]" 1 1593 1 56 LEU MD2 1 61 ARG HB3 . . 4.930 3.867 3.314 4.938 0.008 20 0 "[ . 1 . 2]" 1 1594 1 56 LEU MD2 1 71 ILE HG13 . . 4.400 2.269 2.097 2.397 . 0 0 "[ . 1 . 2]" 1 1595 1 56 LEU MD2 1 67 TRP HB3 . . 3.500 3.102 2.928 3.198 . 0 0 "[ . 1 . 2]" 1 1596 1 56 LEU MD2 1 67 TRP HB2 . . 3.360 2.671 2.436 2.876 . 0 0 "[ . 1 . 2]" 1 1597 1 56 LEU HA 1 56 LEU MD2 . . 3.960 2.216 1.971 2.440 . 0 0 "[ . 1 . 2]" 1 1598 1 56 LEU MD2 1 67 TRP HA . . 3.280 2.554 2.352 2.835 . 0 0 "[ . 1 . 2]" 1 1599 1 56 LEU MD2 1 67 TRP HD1 . . 5.500 5.458 5.280 5.517 0.017 19 0 "[ . 1 . 2]" 1 1600 1 56 LEU MD2 1 71 ILE H . . 5.500 3.676 3.485 4.002 . 0 0 "[ . 1 . 2]" 1 1601 1 56 LEU MD2 1 57 ASN H . . 5.050 4.481 4.330 4.608 . 0 0 "[ . 1 . 2]" 1 1602 1 56 LEU H 1 56 LEU MD2 . . 3.720 2.811 2.506 3.124 . 0 0 "[ . 1 . 2]" 1 1603 1 78 LEU HA 1 87 LEU MD1 . . 4.770 3.586 2.180 4.409 . 0 0 "[ . 1 . 2]" 1 1604 1 78 LEU HA 1 78 LEU HB3 . . 2.770 2.453 2.419 2.521 . 0 0 "[ . 1 . 2]" 1 1605 1 78 LEU HA 1 78 LEU HG . . 4.020 3.097 2.922 3.176 . 0 0 "[ . 1 . 2]" 1 1606 1 78 LEU HA 1 81 LEU H . . 3.580 3.484 3.429 3.551 . 0 0 "[ . 1 . 2]" 1 1607 1 78 LEU HA 1 82 GLU H . . 4.520 4.163 3.956 4.524 0.004 6 0 "[ . 1 . 2]" 1 1608 1 68 LYS HG2 1 78 LEU HB2 . . 4.280 2.786 2.463 3.098 . 0 0 "[ . 1 . 2]" 1 1609 1 68 LYS HG2 1 78 LEU HB3 . . 4.280 3.239 2.896 3.602 . 0 0 "[ . 1 . 2]" 1 1610 1 68 LYS HA 1 78 LEU HB3 . . 3.940 3.808 3.608 3.948 0.008 14 0 "[ . 1 . 2]" 1 1611 1 78 LEU HB3 1 79 ARG H . . 4.080 3.597 3.477 3.732 . 0 0 "[ . 1 . 2]" 1 1612 1 78 LEU H 1 78 LEU HB3 . . 3.640 3.596 3.588 3.610 . 0 0 "[ . 1 . 2]" 1 1613 1 78 LEU HB3 1 78 LEU MD1 . . 3.150 2.411 2.303 2.513 . 0 0 "[ . 1 . 2]" 1 1614 1 78 LEU HA 1 78 LEU MD1 . . 3.900 3.887 3.868 3.906 0.006 10 0 "[ . 1 . 2]" 1 1615 1 67 TRP HZ3 1 78 LEU MD1 . . 4.450 1.877 1.786 1.943 . 0 0 "[ . 1 . 2]" 1 1616 1 78 LEU HB3 1 78 LEU MD2 . . 3.150 2.362 2.302 2.398 . 0 0 "[ . 1 . 2]" 1 1617 1 78 LEU HA 1 78 LEU MD2 . . 3.900 1.976 1.964 2.067 . 0 0 "[ . 1 . 2]" 1 1618 1 81 LEU HA 1 86 LEU MD1 . . 3.490 2.267 1.974 2.570 . 0 0 "[ . 1 . 2]" 1 1619 1 81 LEU HA 1 86 LEU H . . 4.470 4.194 3.932 4.396 . 0 0 "[ . 1 . 2]" 1 1620 1 81 LEU HA 1 81 LEU HB3 . . 2.790 2.456 2.419 2.491 . 0 0 "[ . 1 . 2]" 1 1621 1 81 LEU HB2 1 87 LEU MD1 . . 4.650 3.485 2.242 4.409 . 0 0 "[ . 1 . 2]" 1 1622 1 81 LEU HB2 1 81 LEU MD1 . . 3.230 2.263 2.096 2.363 . 0 0 "[ . 1 . 2]" 1 1623 1 81 LEU HB3 1 87 LEU HB2 . . 3.820 2.747 2.181 3.416 . 0 0 "[ . 1 . 2]" 1 1624 1 78 LEU HA 1 81 LEU HB3 . . 4.740 4.566 4.256 4.742 0.002 5 0 "[ . 1 . 2]" 1 1625 1 81 LEU H 1 81 LEU HB3 . . 3.590 3.587 3.584 3.590 0.000 11 0 "[ . 1 . 2]" 1 1626 1 81 LEU HB3 1 82 GLU H . . 3.820 3.648 3.542 3.722 . 0 0 "[ . 1 . 2]" 1 1627 1 81 LEU HB3 1 86 LEU HB3 . . 3.970 3.429 3.177 3.993 0.023 19 0 "[ . 1 . 2]" 1 1628 1 81 LEU HG 1 82 GLU H . . 4.470 4.240 4.114 4.332 . 0 0 "[ . 1 . 2]" 1 1629 1 78 LEU HA 1 81 LEU HG . . 4.660 3.358 2.873 3.772 . 0 0 "[ . 1 . 2]" 1 1630 1 81 LEU HB3 1 81 LEU MD1 . . 2.940 2.419 2.313 2.553 . 0 0 "[ . 1 . 2]" 1 1631 1 73 CYS HB3 1 81 LEU MD1 . . 2.890 1.880 1.772 1.967 . 0 0 "[ . 1 . 2]" 1 1632 1 73 CYS HB2 1 81 LEU MD1 . . 3.310 2.983 2.389 3.316 0.006 20 0 "[ . 1 . 2]" 1 1633 1 81 LEU HA 1 81 LEU MD1 . . 3.950 3.893 3.868 3.932 . 0 0 "[ . 1 . 2]" 1 1634 1 78 LEU HA 1 81 LEU MD1 . . 3.070 2.436 1.983 2.916 . 0 0 "[ . 1 . 2]" 1 1635 1 81 LEU H 1 81 LEU MD1 . . 3.620 3.494 3.366 3.583 . 0 0 "[ . 1 . 2]" 1 1636 1 78 LEU H 1 81 LEU MD1 . . 5.210 4.217 3.695 4.580 . 0 0 "[ . 1 . 2]" 1 1637 1 73 CYS H 1 81 LEU MD1 . . 3.930 3.452 2.590 3.926 . 0 0 "[ . 1 . 2]" 1 1638 1 81 LEU HB3 1 81 LEU MD2 . . 2.950 2.278 2.153 2.375 . 0 0 "[ . 1 . 2]" 1 1639 1 81 LEU HA 1 81 LEU MD2 . . 2.700 2.148 1.964 2.348 . 0 0 "[ . 1 . 2]" 1 1640 1 81 LEU H 1 81 LEU MD2 . . 3.720 3.304 3.139 3.414 . 0 0 "[ . 1 . 2]" 1 1641 1 86 LEU HA 1 87 LEU H . . 3.560 3.518 3.503 3.547 . 0 0 "[ . 1 . 2]" 1 1642 1 81 LEU HA 1 86 LEU HB3 . . 5.080 4.618 4.337 4.926 . 0 0 "[ . 1 . 2]" 1 1643 1 86 LEU H 1 86 LEU HB3 . . 3.740 3.698 3.680 3.731 . 0 0 "[ . 1 . 2]" 1 1644 1 81 LEU HB2 1 86 LEU HB2 . . 5.010 3.678 3.440 4.112 . 0 0 "[ . 1 . 2]" 1 1645 1 81 LEU HA 1 86 LEU HB2 . . 3.720 3.135 2.849 3.408 . 0 0 "[ . 1 . 2]" 1 1646 1 86 LEU HB2 1 87 LEU H . . 3.930 2.683 2.485 2.775 . 0 0 "[ . 1 . 2]" 1 1647 1 86 LEU H 1 86 LEU HB2 . . 3.050 2.635 2.606 2.695 . 0 0 "[ . 1 . 2]" 1 1648 1 86 LEU HA 1 86 LEU MD1 . . 4.460 3.942 3.925 3.990 . 0 0 "[ . 1 . 2]" 1 1649 1 84 LYS HE2 1 86 LEU MD1 . . 4.460 2.523 1.947 3.746 . 0 0 "[ . 1 . 2]" 1 1650 1 84 LYS QD 1 86 LEU MD1 . . 3.810 2.444 2.163 3.878 0.068 19 0 "[ . 1 . 2]" 1 1651 1 86 LEU HB3 1 86 LEU MD2 . . 2.790 2.255 2.147 2.374 . 0 0 "[ . 1 . 2]" 1 1652 1 81 LEU HA 1 86 LEU MD2 . . 5.500 4.821 4.643 5.106 . 0 0 "[ . 1 . 2]" 1 1653 1 85 GLY HA2 1 86 LEU MD2 . . 5.500 5.056 4.906 5.290 . 0 0 "[ . 1 . 2]" 1 1654 1 86 LEU HA 1 86 LEU MD2 . . 2.590 2.269 2.041 2.484 . 0 0 "[ . 1 . 2]" 1 1655 1 86 LEU H 1 86 LEU MD2 . . 3.640 3.563 3.476 3.623 . 0 0 "[ . 1 . 2]" 1 1656 1 87 LEU HA 1 87 LEU MD2 . . 4.670 3.615 2.867 3.918 . 0 0 "[ . 1 . 2]" 1 1657 1 82 GLU HB2 1 87 LEU HB3 . . 3.820 2.473 2.137 2.832 . 0 0 "[ . 1 . 2]" 1 1658 1 82 GLU HB3 1 87 LEU HB3 . . 5.330 4.015 3.716 4.272 . 0 0 "[ . 1 . 2]" 1 1659 1 87 LEU H 1 87 LEU HB3 . . 3.280 2.700 2.566 2.987 . 0 0 "[ . 1 . 2]" 1 1660 1 81 LEU HB2 1 87 LEU HB2 . . 3.820 2.490 2.018 3.012 . 0 0 "[ . 1 . 2]" 1 1661 1 82 GLU HB2 1 87 LEU HB2 . . 4.650 4.026 3.640 4.528 . 0 0 "[ . 1 . 2]" 1 1662 1 87 LEU HB2 1 88 PHE H . . 4.580 4.284 3.988 4.594 0.014 20 0 "[ . 1 . 2]" 1 1663 1 87 LEU HB2 1 87 LEU HG . . 3.020 2.883 2.579 3.013 . 0 0 "[ . 1 . 2]" 1 1664 1 30 GLN HG2 1 87 LEU HG . . 5.500 5.224 4.353 5.516 0.016 1 0 "[ . 1 . 2]" 1 1665 1 82 GLU HB2 1 87 LEU HG . . 5.500 4.598 4.022 5.502 0.002 16 0 "[ . 1 . 2]" 1 1666 1 87 LEU H 1 87 LEU HG . . 5.200 4.494 4.444 4.550 . 0 0 "[ . 1 . 2]" 1 1667 1 87 LEU HG 1 88 PHE QE . . 5.500 4.266 3.805 4.746 . 0 0 "[ . 1 . 2]" 1 1668 1 87 LEU HG 1 88 PHE H . . 4.080 2.832 1.913 3.801 . 0 0 "[ . 1 . 2]" 1 1669 1 87 LEU HB2 1 87 LEU MD1 . . 3.440 2.149 2.020 2.253 . 0 0 "[ . 1 . 2]" 1 1670 1 87 LEU HA 1 87 LEU MD1 . . 4.670 2.754 2.242 3.660 . 0 0 "[ . 1 . 2]" 1 1671 1 87 LEU MD1 1 89 SER HA . . 5.050 4.278 3.835 4.846 . 0 0 "[ . 1 . 2]" 1 1672 1 87 LEU H 1 87 LEU MD1 . . 4.450 4.280 4.104 4.430 . 0 0 "[ . 1 . 2]" 1 1673 1 87 LEU HB2 1 87 LEU MD2 . . 3.440 2.751 2.443 3.156 . 0 0 "[ . 1 . 2]" 1 1674 1 81 LEU HB2 1 87 LEU MD2 . . 4.650 3.626 2.562 4.629 . 0 0 "[ . 1 . 2]" 1 1675 1 78 LEU HA 1 87 LEU MD2 . . 4.770 3.380 2.522 4.667 . 0 0 "[ . 1 . 2]" 1 1676 1 87 LEU MD2 1 89 SER HA . . 5.050 2.707 2.209 3.229 . 0 0 "[ . 1 . 2]" 1 1677 1 71 ILE HB 1 78 LEU H . . 4.370 4.188 4.024 4.358 . 0 0 "[ . 1 . 2]" 1 1678 1 67 TRP HZ3 1 71 ILE HB . . 4.780 4.729 4.522 4.804 0.024 15 0 "[ . 1 . 2]" 1 1679 1 68 LYS HA 1 71 ILE HB . . 4.280 3.216 2.973 3.435 . 0 0 "[ . 1 . 2]" 1 1680 1 19 VAL MG2 1 71 ILE HB . . 5.500 5.466 5.253 5.519 0.019 13 0 "[ . 1 . 2]" 1 1681 1 79 ARG HD2 1 83 GLN HE22 . . 5.380 4.415 3.600 5.383 0.003 10 0 "[ . 1 . 2]" 1 1682 1 52 VAL MG2 1 53 LYS QB . . 5.420 5.172 4.989 5.415 . 0 0 "[ . 1 . 2]" 1 1683 1 51 THR HB 1 53 LYS QB . . 4.080 3.695 3.532 3.928 . 0 0 "[ . 1 . 2]" 1 1684 1 72 ARG HB2 1 76 GLU H . . 5.260 5.171 4.786 5.279 0.019 5 0 "[ . 1 . 2]" 1 1685 1 71 ILE HA 1 72 ARG HB2 . . 5.500 4.625 4.475 4.695 . 0 0 "[ . 1 . 2]" 1 1686 1 72 ARG HB2 1 77 THR HA . . 5.500 4.879 4.622 5.348 . 0 0 "[ . 1 . 2]" 1 1687 1 72 ARG HB2 1 75 GLY HA2 . . 4.450 4.262 3.904 4.453 0.003 13 0 "[ . 1 . 2]" 1 1688 1 29 PHE HA 1 32 LYS HD2 . . 5.420 5.106 4.667 5.320 . 0 0 "[ . 1 . 2]" 1 1689 1 32 LYS H 1 32 LYS HD3 . . 4.850 4.732 4.584 4.834 . 0 0 "[ . 1 . 2]" 1 1690 1 32 LYS H 1 41 CYS HB2 . . 4.620 4.258 3.827 4.632 0.012 13 0 "[ . 1 . 2]" 1 1691 1 32 LYS H 1 41 CYS HB3 . . 5.020 4.654 4.253 4.967 . 0 0 "[ . 1 . 2]" 1 1692 1 76 GLU HG2 1 80 HIS HB3 . . 4.560 4.050 3.147 4.320 . 0 0 "[ . 1 . 2]" 1 1693 1 80 HIS HB3 1 81 LEU HG . . 4.400 3.234 3.090 3.388 . 0 0 "[ . 1 . 2]" 1 1694 1 80 HIS HB2 1 81 LEU HG . . 5.190 4.891 4.658 5.048 . 0 0 "[ . 1 . 2]" 1 1695 1 77 THR MG 1 80 HIS HB3 . . 4.880 4.707 4.450 4.876 . 0 0 "[ . 1 . 2]" 1 1696 1 80 HIS HB3 1 81 LEU MD1 . . 5.500 4.676 4.519 4.825 . 0 0 "[ . 1 . 2]" 1 1697 1 80 HIS HB3 1 81 LEU MD2 . . 5.500 3.732 3.354 4.004 . 0 0 "[ . 1 . 2]" 1 1698 1 80 HIS HB2 1 81 LEU MD2 . . 5.500 5.230 4.909 5.451 . 0 0 "[ . 1 . 2]" 1 1699 1 28 LEU HB3 1 29 PHE H . . 4.400 4.219 4.166 4.265 . 0 0 "[ . 1 . 2]" 1 1700 1 16 THR HA 1 28 LEU HB3 . . 5.500 4.954 4.902 5.025 . 0 0 "[ . 1 . 2]" 1 1701 1 28 LEU HB3 1 42 ILE HA . . 5.500 5.216 5.029 5.464 . 0 0 "[ . 1 . 2]" 1 1702 1 28 LEU HB2 1 42 ILE HA . . 4.420 4.073 3.829 4.362 . 0 0 "[ . 1 . 2]" 1 1703 1 28 LEU HB2 1 33 LEU HB2 . . 5.500 5.508 5.398 5.542 0.042 10 0 "[ . 1 . 2]" 1 1704 1 17 LEU MD1 1 18 PRO HD3 . . 5.500 5.474 5.437 5.510 0.010 8 0 "[ . 1 . 2]" 1 1705 1 18 PRO HD3 1 19 VAL MG1 . . 5.500 5.474 5.399 5.512 0.012 2 0 "[ . 1 . 2]" 1 1706 1 17 LEU HB2 1 18 PRO HD3 . . 4.920 4.807 4.738 4.849 . 0 0 "[ . 1 . 2]" 1 1707 1 18 PRO HD3 1 73 CYS HG . . 5.350 4.506 3.929 5.350 . 0 0 "[ . 1 . 2]" 1 1708 1 18 PRO HD3 1 74 ASN HD22 . . 5.130 4.413 3.809 5.122 . 0 0 "[ . 1 . 2]" 1 1709 1 90 GLY HA2 1 91 PRO QD . . 2.850 2.322 2.037 2.652 . 0 0 "[ . 1 . 2]" 1 1710 1 90 GLY HA3 1 91 PRO QG . . 4.630 4.101 3.854 4.407 . 0 0 "[ . 1 . 2]" 1 1711 1 85 GLY HA2 1 86 LEU HG . . 4.780 4.744 4.664 4.785 0.005 10 0 "[ . 1 . 2]" 1 1712 1 23 LYS HA 1 23 LYS HB2 . . 3.020 2.630 2.416 3.013 . 0 0 "[ . 1 . 2]" 1 1713 1 15 PRO HA 1 30 GLN HG3 . . 3.930 2.508 2.222 2.734 . 0 0 "[ . 1 . 2]" 1 1714 1 29 PHE HA 1 30 GLN HG3 . . 4.080 3.802 3.730 3.936 . 0 0 "[ . 1 . 2]" 1 1715 1 29 PHE HA 1 30 GLN HG2 . . 4.280 4.235 4.152 4.300 0.020 19 0 "[ . 1 . 2]" 1 1716 1 15 PRO HA 1 30 GLN HG2 . . 4.570 4.223 3.957 4.434 . 0 0 "[ . 1 . 2]" 1 1717 1 17 LEU HG 1 30 GLN HG3 . . 4.080 3.768 3.575 3.878 . 0 0 "[ . 1 . 2]" 1 1718 1 28 LEU HG 1 30 GLN HG2 . . 4.400 3.948 3.844 4.074 . 0 0 "[ . 1 . 2]" 1 1719 1 17 LEU HG 1 30 GLN HG2 . . 4.280 3.578 3.451 3.671 . 0 0 "[ . 1 . 2]" 1 1720 1 29 PHE HB3 1 30 GLN HA . . 5.500 5.307 5.264 5.357 . 0 0 "[ . 1 . 2]" 1 1721 1 30 GLN HA 1 41 CYS HB2 . . 5.500 5.328 5.220 5.471 . 0 0 "[ . 1 . 2]" 1 1722 1 44 ASN HB3 1 55 PHE QD . . 4.640 4.240 3.755 4.591 . 0 0 "[ . 1 . 2]" 1 1723 1 42 ILE MG 1 44 ASN HB3 . . 4.400 4.141 3.998 4.323 . 0 0 "[ . 1 . 2]" 1 1724 1 21 CYS HA 1 21 CYS HG . . 3.720 2.664 2.514 2.875 . 0 0 "[ . 1 . 2]" 1 1725 1 70 VAL HA 1 70 VAL HB . . 2.830 2.469 2.449 2.508 . 0 0 "[ . 1 . 2]" 1 1726 1 70 VAL HB 1 71 ILE H . . 3.980 3.689 3.557 3.894 . 0 0 "[ . 1 . 2]" 1 1727 1 28 LEU HG 1 42 ILE HA . . 5.500 5.408 5.292 5.510 0.010 8 0 "[ . 1 . 2]" 1 1728 1 33 LEU HG 1 88 PHE QE . . 4.970 4.158 3.770 4.423 . 0 0 "[ . 1 . 2]" 1 1729 1 52 VAL HB 1 67 TRP HB3 . . 4.790 4.691 4.510 4.803 0.013 10 0 "[ . 1 . 2]" 1 1730 1 78 LEU HA 1 81 LEU HB2 . . 3.070 2.989 2.715 3.077 0.007 5 0 "[ . 1 . 2]" 1 1731 1 61 ARG HD2 1 70 VAL HB . . 4.940 3.507 2.545 4.942 0.002 1 0 "[ . 1 . 2]" 1 1732 1 61 ARG HD3 1 70 VAL HB . . 4.940 3.493 2.009 4.681 . 0 0 "[ . 1 . 2]" 1 1733 1 67 TRP HB2 1 70 VAL MG1 . . 5.500 5.479 5.416 5.569 0.069 12 0 "[ . 1 . 2]" 1 1734 1 61 ARG HB3 1 70 VAL HB . . 4.830 3.294 2.707 4.642 . 0 0 "[ . 1 . 2]" 1 1735 1 61 ARG HB2 1 70 VAL HB . . 5.140 3.437 2.908 4.224 . 0 0 "[ . 1 . 2]" 1 1736 1 33 LEU HG 1 34 LYS H . . 5.480 4.074 3.707 4.302 . 0 0 "[ . 1 . 2]" 1 1737 1 30 GLN HA 1 33 LEU HG . . 5.190 4.512 4.306 4.703 . 0 0 "[ . 1 . 2]" 1 1738 1 33 LEU HG 1 34 LYS HA . . 5.500 4.058 3.688 4.307 . 0 0 "[ . 1 . 2]" 1 1739 1 77 THR HA 1 78 LEU HG . . 5.500 3.874 3.778 4.056 . 0 0 "[ . 1 . 2]" 1 1740 1 28 LEU HA 1 28 LEU HG . . 3.880 2.976 2.920 3.009 . 0 0 "[ . 1 . 2]" 1 1741 1 78 LEU H 1 81 LEU HG . . 5.500 4.949 4.556 5.243 . 0 0 "[ . 1 . 2]" 1 1742 1 44 ASN H 1 50 LEU HG . . 4.770 4.044 3.749 4.789 0.019 18 0 "[ . 1 . 2]" 1 1743 1 44 ASN HD21 1 50 LEU HG . . 4.960 4.355 3.694 4.953 . 0 0 "[ . 1 . 2]" 1 1744 1 16 THR MG 1 29 PHE QD . . 2.830 2.548 2.451 2.648 . 0 0 "[ . 1 . 2]" 1 1745 1 27 THR MG 1 29 PHE QD . . 3.520 3.234 3.047 3.466 . 0 0 "[ . 1 . 2]" 1 1746 1 29 PHE QD 1 32 LYS HD2 . . 3.570 3.309 3.082 3.464 . 0 0 "[ . 1 . 2]" 1 1747 1 27 THR HB 1 29 PHE QD . . 4.090 3.973 3.864 4.091 0.001 12 0 "[ . 1 . 2]" 1 1748 1 29 PHE QD 1 43 GLN H . . 3.660 3.445 3.204 3.594 . 0 0 "[ . 1 . 2]" 1 1749 1 29 PHE H 1 29 PHE QD . . 2.620 2.292 2.132 2.346 . 0 0 "[ . 1 . 2]" 1 1750 1 29 PHE QE 1 43 GLN HB2 . . 3.040 2.853 2.657 3.041 0.001 7 0 "[ . 1 . 2]" 1 1751 1 16 THR MG 1 29 PHE QE . . 2.920 2.457 2.336 2.618 . 0 0 "[ . 1 . 2]" 1 1752 1 27 THR MG 1 29 PHE QE . . 2.900 2.545 2.267 2.902 0.002 11 0 "[ . 1 . 2]" 1 1753 1 29 PHE QE 1 43 GLN HB3 . . 2.870 2.694 2.341 2.873 0.003 17 0 "[ . 1 . 2]" 1 1754 1 27 THR HB 1 29 PHE QE . . 2.830 2.101 1.999 2.254 . 0 0 "[ . 1 . 2]" 1 1755 1 29 PHE QE 1 43 GLN H . . 3.290 2.935 2.594 3.220 . 0 0 "[ . 1 . 2]" 1 1756 1 29 PHE QE 1 43 GLN HG3 . . 5.290 4.979 4.789 5.139 . 0 0 "[ . 1 . 2]" 1 1757 1 16 THR MG 1 29 PHE HZ . . 3.270 2.976 2.756 3.249 . 0 0 "[ . 1 . 2]" 1 1758 1 27 THR MG 1 29 PHE HZ . . 3.740 3.359 3.048 3.591 . 0 0 "[ . 1 . 2]" 1 1759 1 29 PHE HZ 1 43 GLN HB3 . . 4.030 3.685 3.384 4.015 . 0 0 "[ . 1 . 2]" 1 1760 1 29 PHE HZ 1 43 GLN HB2 . . 4.280 3.961 3.677 4.282 0.002 9 0 "[ . 1 . 2]" 1 1761 1 27 THR HB 1 29 PHE HZ . . 3.800 3.591 3.360 3.806 0.006 4 0 "[ . 1 . 2]" 1 1762 1 29 PHE HZ 1 49 TRP HH2 . . 3.850 3.545 3.399 3.776 . 0 0 "[ . 1 . 2]" 1 1763 1 42 ILE MG 1 55 PHE QD . . 3.030 2.501 2.278 2.713 . 0 0 "[ . 1 . 2]" 1 1764 1 42 ILE MD 1 55 PHE QD . . 2.860 2.301 2.059 2.460 . 0 0 "[ . 1 . 2]" 1 1765 1 55 PHE QD 1 71 ILE MD . . 2.670 1.991 1.919 2.094 . 0 0 "[ . 1 . 2]" 1 1766 1 21 CYS HB3 1 55 PHE QD . . 4.010 3.677 3.390 3.818 . 0 0 "[ . 1 . 2]" 1 1767 1 55 PHE QD 1 58 GLU HB2 . . 3.900 3.830 3.649 3.901 0.001 11 0 "[ . 1 . 2]" 1 1768 1 21 CYS HB2 1 55 PHE QD . . 3.410 3.049 2.636 3.390 . 0 0 "[ . 1 . 2]" 1 1769 1 55 PHE HA 1 55 PHE QD . . 2.520 2.202 2.113 2.296 . 0 0 "[ . 1 . 2]" 1 1770 1 55 PHE QD 1 56 LEU H . . 4.110 3.963 3.811 4.116 0.006 8 0 "[ . 1 . 2]" 1 1771 1 55 PHE H 1 55 PHE QD . . 4.160 4.098 4.039 4.157 . 0 0 "[ . 1 . 2]" 1 1772 1 42 ILE MG 1 55 PHE QE . . 3.280 3.020 2.708 3.178 . 0 0 "[ . 1 . 2]" 1 1773 1 19 VAL MG2 1 55 PHE QE . . 3.160 2.813 2.634 3.029 . 0 0 "[ . 1 . 2]" 1 1774 1 19 VAL MG1 1 55 PHE QE . . 4.770 4.360 4.216 4.584 . 0 0 "[ . 1 . 2]" 1 1775 1 24 ALA MB 1 55 PHE QE . . 3.010 2.710 2.459 2.906 . 0 0 "[ . 1 . 2]" 1 1776 1 55 PHE QE 1 71 ILE MG . . 2.670 2.218 1.980 2.612 . 0 0 "[ . 1 . 2]" 1 1777 1 55 PHE QE 1 71 ILE MD . . 3.790 3.230 2.975 3.581 . 0 0 "[ . 1 . 2]" 1 1778 1 21 CYS HB3 1 55 PHE QE . . 3.420 3.340 3.175 3.436 0.016 11 0 "[ . 1 . 2]" 1 1779 1 19 VAL HB 1 55 PHE QE . . 3.420 2.947 2.762 3.285 . 0 0 "[ . 1 . 2]" 1 1780 1 55 PHE QE 1 71 ILE HG13 . . 4.770 4.349 4.098 4.774 0.004 10 0 "[ . 1 . 2]" 1 1781 1 21 CYS HB2 1 55 PHE QE . . 2.920 2.431 1.997 2.643 . 0 0 "[ . 1 . 2]" 1 1782 1 44 ASN HB3 1 55 PHE QE . . 5.070 4.416 3.819 4.911 . 0 0 "[ . 1 . 2]" 1 1783 1 26 GLY HA3 1 55 PHE QE . . 3.630 3.145 2.989 3.383 . 0 0 "[ . 1 . 2]" 1 1784 1 25 LYS HA 1 55 PHE QE . . 3.700 3.209 2.927 3.447 . 0 0 "[ . 1 . 2]" 1 1785 1 26 GLY H 1 55 PHE QE . . 4.200 3.332 3.073 3.573 . 0 0 "[ . 1 . 2]" 1 1786 1 42 ILE MG 1 55 PHE HZ . . 4.150 3.739 3.343 3.941 . 0 0 "[ . 1 . 2]" 1 1787 1 24 ALA MB 1 55 PHE HZ . . 3.480 3.379 3.265 3.490 0.010 2 0 "[ . 1 . 2]" 1 1788 1 55 PHE HZ 1 71 ILE MG . . 4.250 4.084 3.885 4.255 0.005 10 0 "[ . 1 . 2]" 1 1789 1 25 LYS HG2 1 55 PHE HZ . . 5.500 4.954 4.424 5.509 0.009 8 0 "[ . 1 . 2]" 1 1790 1 25 LYS HG3 1 55 PHE HZ . . 5.500 5.259 4.200 5.505 0.005 2 0 "[ . 1 . 2]" 1 1791 1 21 CYS HB3 1 55 PHE HZ . . 4.130 3.987 3.820 4.130 0.000 12 0 "[ . 1 . 2]" 1 1792 1 19 VAL HB 1 55 PHE HZ . . 4.460 4.083 3.874 4.327 . 0 0 "[ . 1 . 2]" 1 1793 1 21 CYS HB2 1 55 PHE HZ . . 4.180 4.002 3.565 4.148 . 0 0 "[ . 1 . 2]" 1 1794 1 26 GLY HA3 1 55 PHE HZ . . 4.360 4.061 3.860 4.356 . 0 0 "[ . 1 . 2]" 1 1795 1 21 CYS HA 1 55 PHE HZ . . 5.500 5.071 4.838 5.228 . 0 0 "[ . 1 . 2]" 1 1796 1 26 GLY HA2 1 55 PHE HZ . . 5.500 5.064 4.858 5.321 . 0 0 "[ . 1 . 2]" 1 1797 1 25 LYS HA 1 55 PHE HZ . . 2.830 2.442 1.996 2.674 . 0 0 "[ . 1 . 2]" 1 1798 1 20 THR HA 1 55 PHE HZ . . 2.670 2.130 1.997 2.523 . 0 0 "[ . 1 . 2]" 1 1799 1 21 CYS H 1 55 PHE HZ . . 3.030 2.619 2.416 2.791 . 0 0 "[ . 1 . 2]" 1 1800 1 80 HIS HD2 1 81 LEU MD2 . . 3.650 3.147 2.658 3.495 . 0 0 "[ . 1 . 2]" 1 1801 1 76 GLU HB3 1 80 HIS HD2 . . 3.760 3.407 3.114 3.767 0.007 10 0 "[ . 1 . 2]" 1 1802 1 80 HIS HB3 1 80 HIS HD2 . . 2.990 2.896 2.852 2.959 . 0 0 "[ . 1 . 2]" 1 1803 1 80 HIS HD2 1 81 LEU HA . . 3.700 3.289 2.954 3.702 0.002 2 0 "[ . 1 . 2]" 1 1804 1 80 HIS HD2 1 81 LEU H . . 4.310 3.912 3.563 4.277 . 0 0 "[ . 1 . 2]" 1 1805 1 43 GLN HG3 1 49 TRP HD1 . . 4.140 3.755 3.523 3.926 . 0 0 "[ . 1 . 2]" 1 1806 1 40 LYS HB2 1 49 TRP HD1 . . 5.370 5.202 5.030 5.315 . 0 0 "[ . 1 . 2]" 1 1807 1 49 TRP HB2 1 49 TRP HD1 . . 2.750 2.740 2.711 2.767 0.017 15 0 "[ . 1 . 2]" 1 1808 1 48 ASP HA 1 49 TRP HD1 . . 3.760 3.465 3.336 3.594 . 0 0 "[ . 1 . 2]" 1 1809 1 49 TRP HA 1 49 TRP HD1 . . 4.180 4.039 3.975 4.117 . 0 0 "[ . 1 . 2]" 1 1810 1 43 GLN HE21 1 49 TRP HD1 . . 3.960 3.570 3.357 3.839 . 0 0 "[ . 1 . 2]" 1 1811 1 49 TRP H 1 49 TRP HD1 . . 2.580 2.186 2.043 2.435 . 0 0 "[ . 1 . 2]" 1 1812 1 43 GLN HB2 1 49 TRP HE3 . . 3.570 3.282 3.106 3.447 . 0 0 "[ . 1 . 2]" 1 1813 1 40 LYS HB3 1 49 TRP HE3 . . 4.100 4.066 4.019 4.119 0.019 7 0 "[ . 1 . 2]" 1 1814 1 40 LYS HB2 1 49 TRP HE3 . . 4.410 4.404 4.282 4.436 0.026 15 0 "[ . 1 . 2]" 1 1815 1 49 TRP HB3 1 49 TRP HE3 . . 2.560 2.488 2.466 2.516 . 0 0 "[ . 1 . 2]" 1 1816 1 41 CYS HA 1 49 TRP HE3 . . 3.830 2.523 2.374 2.714 . 0 0 "[ . 1 . 2]" 1 1817 1 49 TRP HA 1 49 TRP HE3 . . 3.550 3.428 3.320 3.520 . 0 0 "[ . 1 . 2]" 1 1818 1 29 PHE QD 1 49 TRP HE3 . . 4.270 4.256 4.208 4.278 0.008 13 0 "[ . 1 . 2]" 1 1819 1 43 GLN HB2 1 49 TRP HZ2 . . 4.740 4.287 3.952 4.544 . 0 0 "[ . 1 . 2]" 1 1820 1 32 LYS HD3 1 49 TRP HZ2 . . 4.460 4.353 4.042 4.482 0.022 19 0 "[ . 1 . 2]" 1 1821 1 43 GLN HE21 1 49 TRP HZ2 . . 3.790 3.512 3.242 3.755 . 0 0 "[ . 1 . 2]" 1 1822 1 43 GLN HE22 1 49 TRP HZ2 . . 3.640 3.185 2.958 3.405 . 0 0 "[ . 1 . 2]" 1 1823 1 43 GLN HB2 1 49 TRP HZ3 . . 3.580 3.411 3.233 3.583 0.003 1 0 "[ . 1 . 2]" 1 1824 1 32 LYS HD2 1 49 TRP HZ3 . . 2.970 2.502 2.276 2.851 . 0 0 "[ . 1 . 2]" 1 1825 1 32 LYS HD3 1 49 TRP HZ3 . . 3.100 2.576 2.415 2.855 . 0 0 "[ . 1 . 2]" 1 1826 1 32 LYS HB3 1 49 TRP HZ3 . . 4.410 4.186 4.003 4.324 . 0 0 "[ . 1 . 2]" 1 1827 1 41 CYS HB3 1 49 TRP HZ3 . . 5.500 4.962 4.812 5.113 . 0 0 "[ . 1 . 2]" 1 1828 1 41 CYS HB2 1 49 TRP HZ3 . . 4.960 4.094 3.918 4.268 . 0 0 "[ . 1 . 2]" 1 1829 1 49 TRP HB3 1 49 TRP HZ3 . . 5.070 4.890 4.874 4.911 . 0 0 "[ . 1 . 2]" 1 1830 1 29 PHE HB2 1 49 TRP HZ3 . . 3.030 2.500 2.333 2.676 . 0 0 "[ . 1 . 2]" 1 1831 1 41 CYS HA 1 49 TRP HZ3 . . 3.310 2.934 2.816 3.109 . 0 0 "[ . 1 . 2]" 1 1832 1 29 PHE QD 1 49 TRP HZ3 . . 2.730 2.522 2.372 2.651 . 0 0 "[ . 1 . 2]" 1 1833 1 43 GLN HB2 1 49 TRP HH2 . . 4.150 3.919 3.638 4.146 . 0 0 "[ . 1 . 2]" 1 1834 1 32 LYS HD2 1 49 TRP HH2 . . 3.570 2.662 2.510 2.847 . 0 0 "[ . 1 . 2]" 1 1835 1 29 PHE HB3 1 49 TRP HH2 . . 4.080 3.998 3.739 4.099 0.019 18 0 "[ . 1 . 2]" 1 1836 1 29 PHE QE 1 49 TRP HH2 . . 3.100 2.928 2.682 3.105 0.005 5 0 "[ . 1 . 2]" 1 1837 1 29 PHE QD 1 49 TRP HH2 . . 3.180 2.896 2.714 3.074 . 0 0 "[ . 1 . 2]" 1 1838 1 67 TRP HB3 1 67 TRP HD1 . . 2.750 2.719 2.688 2.738 . 0 0 "[ . 1 . 2]" 1 1839 1 67 TRP HA 1 67 TRP HD1 . . 4.610 4.276 4.205 4.336 . 0 0 "[ . 1 . 2]" 1 1840 1 67 TRP H 1 67 TRP HD1 . . 2.510 2.134 2.060 2.263 . 0 0 "[ . 1 . 2]" 1 1841 1 67 TRP HE3 1 68 LYS HG3 . . 4.100 3.813 3.461 3.965 . 0 0 "[ . 1 . 2]" 1 1842 1 67 TRP HE3 1 68 LYS HG2 . . 4.170 3.974 3.676 4.163 . 0 0 "[ . 1 . 2]" 1 1843 1 52 VAL MG1 1 67 TRP HE3 . . 4.460 2.702 2.368 3.122 . 0 0 "[ . 1 . 2]" 1 1844 1 52 VAL MG2 1 67 TRP HE3 . . 4.460 4.075 3.822 4.375 . 0 0 "[ . 1 . 2]" 1 1845 1 67 TRP HE3 1 71 ILE MD . . 2.490 1.985 1.863 2.105 . 0 0 "[ . 1 . 2]" 1 1846 1 67 TRP HB2 1 67 TRP HE3 . . 2.650 2.508 2.489 2.543 . 0 0 "[ . 1 . 2]" 1 1847 1 67 TRP HE3 1 68 LYS HA . . 3.310 3.220 3.030 3.322 0.012 19 0 "[ . 1 . 2]" 1 1848 1 67 TRP HA 1 67 TRP HE3 . . 4.740 4.465 4.387 4.545 . 0 0 "[ . 1 . 2]" 1 1849 1 67 TRP HE3 1 71 ILE H . . 5.500 4.851 4.662 4.982 . 0 0 "[ . 1 . 2]" 1 1850 1 67 TRP HZ2 1 68 LYS HG3 . . 3.640 3.554 3.436 3.682 0.042 9 0 "[ . 1 . 2]" 1 1851 1 67 TRP HZ2 1 68 LYS HG2 . . 4.190 4.040 3.789 4.204 0.014 5 0 "[ . 1 . 2]" 1 1852 1 33 LEU MD2 1 67 TRP HZ2 . . 4.470 3.916 3.742 4.150 . 0 0 "[ . 1 . 2]" 1 1853 1 33 LEU MD1 1 67 TRP HZ2 . . 4.470 3.783 3.481 4.122 . 0 0 "[ . 1 . 2]" 1 1854 1 37 ALA MB 1 67 TRP HZ2 . . 3.270 3.260 3.149 3.314 0.044 6 0 "[ . 1 . 2]" 1 1855 1 18 PRO HD2 1 74 ASN HD21 . . 5.500 4.776 3.654 5.508 0.008 10 0 "[ . 1 . 2]" 1 1856 1 37 ALA HA 1 67 TRP HZ2 . . 5.500 5.309 5.154 5.475 . 0 0 "[ . 1 . 2]" 1 1857 1 67 TRP HZ3 1 68 LYS HG2 . . 3.620 3.417 2.981 3.625 0.005 9 0 "[ . 1 . 2]" 1 1858 1 67 TRP HZ3 1 78 LEU MD2 . . 4.450 3.689 3.356 4.021 . 0 0 "[ . 1 . 2]" 1 1859 1 67 TRP HZ3 1 78 LEU HB3 . . 4.230 4.079 3.837 4.237 0.007 8 0 "[ . 1 . 2]" 1 1860 1 67 TRP HZ3 1 78 LEU HB2 . . 4.550 4.375 4.155 4.525 . 0 0 "[ . 1 . 2]" 1 1861 1 67 TRP HH2 1 68 LYS HG3 . . 4.210 3.999 3.688 4.168 . 0 0 "[ . 1 . 2]" 1 1862 1 67 TRP HH2 1 68 LYS HG2 . . 3.820 3.459 3.272 3.644 . 0 0 "[ . 1 . 2]" 1 1863 1 28 LEU MD1 1 67 TRP HH2 . . 4.470 3.811 3.641 3.949 . 0 0 "[ . 1 . 2]" 1 1864 1 28 LEU MD2 1 67 TRP HH2 . . 4.790 3.755 3.485 4.041 . 0 0 "[ . 1 . 2]" 1 1865 1 33 LEU MD1 1 67 TRP HH2 . . 3.510 3.123 2.553 3.514 0.004 7 0 "[ . 1 . 2]" 1 1866 1 67 TRP HH2 1 68 LYS HA . . 5.500 5.315 5.142 5.411 . 0 0 "[ . 1 . 2]" 1 1867 1 88 PHE QE 1 89 SER HA . . 3.800 3.683 3.594 3.810 0.010 16 0 "[ . 1 . 2]" 1 1868 1 30 GLN HA 1 88 PHE QE . . 3.690 2.391 2.054 2.748 . 0 0 "[ . 1 . 2]" 1 1869 1 34 LYS HA 1 88 PHE QE . . 4.150 2.976 1.976 3.581 . 0 0 "[ . 1 . 2]" 1 1870 1 30 GLN HG3 1 88 PHE QE . . 4.460 4.228 4.007 4.465 0.005 3 0 "[ . 1 . 2]" 1 1871 1 30 GLN HG2 1 88 PHE QE . . 4.290 2.702 2.490 2.957 . 0 0 "[ . 1 . 2]" 1 1872 1 34 LYS QB 1 88 PHE QE . . 4.570 3.352 1.891 4.140 . 0 0 "[ . 1 . 2]" 1 1873 1 28 LEU HG 1 88 PHE QE . . 5.090 4.288 4.121 4.474 . 0 0 "[ . 1 . 2]" 1 1874 1 28 LEU MD2 1 88 PHE QE . . 3.180 2.872 2.642 3.105 . 0 0 "[ . 1 . 2]" 1 1875 1 30 GLN HA 1 88 PHE HZ . . 4.140 2.257 2.124 2.457 . 0 0 "[ . 1 . 2]" 1 1876 1 34 LYS QB 1 88 PHE HZ . . 5.500 4.191 2.796 4.974 . 0 0 "[ . 1 . 2]" 1 1877 1 28 LEU MD2 1 88 PHE HZ . . 4.600 4.506 4.138 4.632 0.032 20 0 "[ . 1 . 2]" 1 1878 1 88 PHE H 1 88 PHE QD . . 3.280 1.963 1.851 2.208 . 0 0 "[ . 1 . 2]" 1 1879 1 30 GLN HB3 1 88 PHE QD . . 3.530 3.392 3.033 3.551 0.021 15 0 "[ . 1 . 2]" 1 1880 1 30 GLN HG2 1 88 PHE QD . . 3.840 3.650 3.501 3.760 . 0 0 "[ . 1 . 2]" 1 1881 1 29 PHE QE 1 32 LYS HD2 . . 5.060 4.673 4.464 4.798 . 0 0 "[ . 1 . 2]" 1 1882 1 13 PHE QD 1 14 SER H . . 4.460 3.964 2.935 4.585 0.125 14 0 "[ . 1 . 2]" 1 1883 1 29 PHE QE 1 49 TRP HZ3 . . 3.680 3.550 3.444 3.681 0.001 15 0 "[ . 1 . 2]" 1 1884 1 27 THR HA 1 29 PHE QE . . 4.880 4.516 4.393 4.718 . 0 0 "[ . 1 . 2]" 1 1885 1 28 LEU HA 1 29 PHE QE . . 5.210 4.472 4.305 4.644 . 0 0 "[ . 1 . 2]" 1 1886 1 88 PHE QD 1 89 SER HA . . 3.850 3.734 3.658 3.856 0.006 16 0 "[ . 1 . 2]" 1 1887 1 30 GLN HB2 1 88 PHE HZ . . 4.510 4.151 3.910 4.530 0.020 16 0 "[ . 1 . 2]" 1 1888 1 30 GLN HG2 1 88 PHE HZ . . 4.900 4.310 4.083 4.729 . 0 0 "[ . 1 . 2]" 1 1889 1 88 PHE HZ 1 89 SER HA . . 4.770 4.715 4.651 4.752 . 0 0 "[ . 1 . 2]" 1 1890 1 80 HIS HE1 1 84 LYS QD . . 5.290 4.265 3.534 5.296 0.006 11 0 "[ . 1 . 2]" 1 1891 1 8 ASN H 1 8 ASN QB . . 3.490 2.465 2.254 2.942 . 0 0 "[ . 1 . 2]" 1 1892 1 8 ASN QB 1 8 ASN QD . . 3.070 2.174 2.066 2.493 . 0 0 "[ . 1 . 2]" 1 1893 1 9 ASP H 1 9 ASP QB . . 3.370 2.610 2.198 3.361 . 0 0 "[ . 1 . 2]" 1 1894 1 10 ALA H 1 11 VAL QG . . 5.440 4.636 3.512 5.435 . 0 0 "[ . 1 . 2]" 1 1895 1 11 VAL H 1 11 VAL QG . . 3.240 2.095 1.857 2.642 . 0 0 "[ . 1 . 2]" 1 1896 1 11 VAL QG 1 13 PHE H . . 5.070 3.988 1.927 4.607 . 0 0 "[ . 1 . 2]" 1 1897 1 11 VAL QG 1 13 PHE QB . . 5.440 4.782 1.965 5.449 0.009 7 0 "[ . 1 . 2]" 1 1898 1 12 ASP H 1 12 ASP QB . . 2.990 2.419 2.194 2.990 . 11 0 "[ . 1 . 2]" 1 1899 1 19 VAL MG2 1 78 LEU QD . . 5.440 4.021 3.866 4.179 . 0 0 "[ . 1 . 2]" 1 1900 1 20 THR HA 1 25 LYS QB . . 5.340 3.984 2.926 4.226 . 0 0 "[ . 1 . 2]" 1 1901 1 20 THR MG 1 25 LYS QB . . 3.580 2.508 1.736 2.789 . 0 0 "[ . 1 . 2]" 1 1902 1 20 THR MG 1 25 LYS QG . . 3.480 2.118 1.888 3.564 0.084 2 0 "[ . 1 . 2]" 1 1903 1 23 LYS HA 1 23 LYS QB . . 2.600 2.210 2.169 2.290 . 0 0 "[ . 1 . 2]" 1 1904 1 23 LYS QB 1 23 LYS QD . . 3.310 2.226 2.031 2.523 . 0 0 "[ . 1 . 2]" 1 1905 1 23 LYS QB 1 24 ALA H . . 4.020 3.874 3.649 3.987 . 0 0 "[ . 1 . 2]" 1 1906 1 24 ALA MB 1 58 GLU QG . . 4.480 3.462 3.033 4.021 . 0 0 "[ . 1 . 2]" 1 1907 1 25 LYS H 1 25 LYS QG . . 3.400 2.918 2.472 3.408 0.008 8 0 "[ . 1 . 2]" 1 1908 1 25 LYS H 1 45 GLU QG . . 4.760 4.278 3.902 4.729 . 0 0 "[ . 1 . 2]" 1 1909 1 25 LYS HA 1 25 LYS QG . . 3.370 2.590 2.431 3.331 . 0 0 "[ . 1 . 2]" 1 1910 1 25 LYS QB 1 25 LYS QE . . 3.750 2.604 1.965 3.658 . 0 0 "[ . 1 . 2]" 1 1911 1 25 LYS QB 1 26 GLY H . . 3.580 3.004 2.731 3.115 . 0 0 "[ . 1 . 2]" 1 1912 1 25 LYS QB 1 45 GLU QG . . 4.640 3.059 2.247 4.652 0.012 9 0 "[ . 1 . 2]" 1 1913 1 25 LYS QE 1 25 LYS QG . . 3.150 2.283 2.055 2.554 . 0 0 "[ . 1 . 2]" 1 1914 1 25 LYS QG 1 26 GLY H . . 4.390 4.130 3.471 4.284 . 0 0 "[ . 1 . 2]" 1 1915 1 28 LEU MD2 1 33 LEU QD . . 2.780 1.998 1.903 2.204 . 0 0 "[ . 1 . 2]" 1 1916 1 29 PHE QD 1 32 LYS QE . . 4.500 4.028 3.601 4.462 . 0 0 "[ . 1 . 2]" 1 1917 1 30 GLN HA 1 33 LEU QD . . 3.580 2.898 2.684 3.095 . 0 0 "[ . 1 . 2]" 1 1918 1 30 GLN HA 1 87 LEU QD . . 5.440 4.932 4.419 5.202 . 0 0 "[ . 1 . 2]" 1 1919 1 30 GLN HB3 1 87 LEU QD . . 5.050 4.908 4.208 5.113 0.063 20 0 "[ . 1 . 2]" 1 1920 1 30 GLN HG2 1 87 LEU QD . . 4.840 3.790 3.293 4.175 . 0 0 "[ . 1 . 2]" 1 1921 1 30 GLN HG3 1 87 LEU QD . . 5.440 5.023 4.498 5.460 0.020 15 0 "[ . 1 . 2]" 1 1922 1 30 GLN HE21 1 87 LEU QD . . 3.910 2.608 1.982 3.354 . 0 0 "[ . 1 . 2]" 1 1923 1 30 GLN HE22 1 87 LEU QD . . 4.890 3.439 2.710 4.205 . 0 0 "[ . 1 . 2]" 1 1924 1 31 GLU H 1 31 GLU QG . . 3.840 2.812 1.889 3.867 0.027 8 0 "[ . 1 . 2]" 1 1925 1 31 GLU H 1 34 LYS QG . . 4.970 4.529 4.104 4.938 . 0 0 "[ . 1 . 2]" 1 1926 1 31 GLU HA 1 31 GLU QG . . 3.580 3.065 2.632 3.424 . 0 0 "[ . 1 . 2]" 1 1927 1 31 GLU HA 1 34 LYS QG . . 3.540 2.892 1.994 3.534 . 0 0 "[ . 1 . 2]" 1 1928 1 31 GLU QB 1 31 GLU QG . . 2.300 2.070 2.018 2.086 . 0 0 "[ . 1 . 2]" 1 1929 1 31 GLU QG 1 32 LYS H . . 4.030 2.436 1.873 3.198 . 0 0 "[ . 1 . 2]" 1 1930 1 31 GLU QG 1 32 LYS HA . . 5.340 3.454 3.328 3.647 . 0 0 "[ . 1 . 2]" 1 1931 1 31 GLU QG 1 32 LYS HG3 . . 5.100 2.598 2.308 2.795 . 0 0 "[ . 1 . 2]" 1 1932 1 31 GLU QG 1 32 LYS HD2 . . 5.340 3.595 2.946 4.313 . 0 0 "[ . 1 . 2]" 1 1933 1 31 GLU QG 1 33 LEU H . . 5.340 4.258 3.965 4.723 . 0 0 "[ . 1 . 2]" 1 1934 1 32 LYS H 1 34 LYS QG . . 5.190 4.901 4.124 5.233 0.043 19 0 "[ . 1 . 2]" 1 1935 1 32 LYS HA 1 32 LYS QE . . 5.340 4.625 4.478 4.776 . 0 0 "[ . 1 . 2]" 1 1936 1 32 LYS HA 1 35 GLN QG . . 4.190 3.235 2.491 4.298 0.108 19 0 "[ . 1 . 2]" 1 1937 1 32 LYS QE 1 32 LYS HG2 . . 3.180 2.717 2.438 3.031 . 0 0 "[ . 1 . 2]" 1 1938 1 32 LYS QE 1 49 TRP HZ3 . . 4.100 3.611 3.441 4.070 . 0 0 "[ . 1 . 2]" 1 1939 1 32 LYS QE 1 49 TRP HZ2 . . 3.520 2.698 2.516 3.304 . 0 0 "[ . 1 . 2]" 1 1940 1 32 LYS QE 1 49 TRP HH2 . . 3.070 2.554 2.261 3.116 0.046 18 0 "[ . 1 . 2]" 1 1941 1 33 LEU HA 1 33 LEU QD . . 2.570 2.122 1.954 2.260 . 0 0 "[ . 1 . 2]" 1 1942 1 33 LEU HB2 1 33 LEU QD . . 2.730 2.090 2.030 2.143 . 0 0 "[ . 1 . 2]" 1 1943 1 33 LEU HB3 1 33 LEU QD . . 2.680 2.205 2.092 2.288 . 0 0 "[ . 1 . 2]" 1 1944 1 33 LEU HG 1 52 VAL QG . . 5.130 4.488 4.072 4.778 . 0 0 "[ . 1 . 2]" 1 1945 1 33 LEU QD 1 34 LYS H . . 4.280 4.031 3.776 4.162 . 0 0 "[ . 1 . 2]" 1 1946 1 33 LEU QD 1 34 LYS HA . . 5.440 4.402 4.163 4.536 . 0 0 "[ . 1 . 2]" 1 1947 1 33 LEU QD 1 36 GLY H . . 4.390 4.215 3.815 4.404 0.014 12 0 "[ . 1 . 2]" 1 1948 1 33 LEU QD 1 37 ALA H . . 4.250 3.983 3.496 4.267 0.017 13 0 "[ . 1 . 2]" 1 1949 1 33 LEU QD 1 37 ALA HA . . 2.860 2.232 1.925 2.646 . 0 0 "[ . 1 . 2]" 1 1950 1 33 LEU QD 1 37 ALA MB . . 3.180 2.785 2.453 3.075 . 0 0 "[ . 1 . 2]" 1 1951 1 33 LEU QD 1 41 CYS HB2 . . 4.130 3.355 2.797 3.608 . 0 0 "[ . 1 . 2]" 1 1952 1 33 LEU QD 1 41 CYS HB3 . . 4.230 3.348 3.026 3.650 . 0 0 "[ . 1 . 2]" 1 1953 1 33 LEU QD 1 41 CYS HG . . 3.630 2.208 2.012 2.504 . 0 0 "[ . 1 . 2]" 1 1954 1 33 LEU QD 1 52 VAL QG . . 3.050 2.330 1.993 2.488 . 0 0 "[ . 1 . 2]" 1 1955 1 33 LEU QD 1 67 TRP HZ3 . . 3.700 3.265 2.920 3.589 . 0 0 "[ . 1 . 2]" 1 1956 1 33 LEU QD 1 67 TRP HZ2 . . 3.600 3.418 3.203 3.604 0.004 13 0 "[ . 1 . 2]" 1 1957 1 33 LEU QD 1 67 TRP HH2 . . 2.750 2.308 2.038 2.672 . 0 0 "[ . 1 . 2]" 1 1958 1 33 LEU QD 1 88 PHE QD . . 4.030 3.856 3.711 3.984 . 0 0 "[ . 1 . 2]" 1 1959 1 33 LEU QD 1 88 PHE QE . . 3.270 2.195 1.964 2.416 . 0 0 "[ . 1 . 2]" 1 1960 1 33 LEU QD 1 88 PHE HZ . . 3.390 2.529 2.255 2.819 . 0 0 "[ . 1 . 2]" 1 1961 1 33 LEU QD 1 89 SER HA . . 4.170 2.649 2.088 3.165 . 0 0 "[ . 1 . 2]" 1 1962 1 34 LYS H 1 34 LYS QG . . 2.920 2.313 2.065 2.472 . 0 0 "[ . 1 . 2]" 1 1963 1 34 LYS QB 1 35 GLN QG . . 4.470 3.702 3.273 4.269 . 0 0 "[ . 1 . 2]" 1 1964 1 34 LYS QD 1 34 LYS QG . . 2.310 2.052 2.021 2.089 . 0 0 "[ . 1 . 2]" 1 1965 1 34 LYS QG 1 88 PHE QD . . 5.340 4.249 3.571 5.464 0.124 17 0 "[ . 1 . 2]" 1 1966 1 34 LYS QG 1 88 PHE QE . . 5.130 2.469 1.810 3.865 . 0 0 "[ . 1 . 2]" 1 1967 1 34 LYS QG 1 88 PHE HZ . . 4.630 3.278 2.532 4.443 . 0 0 "[ . 1 . 2]" 1 1968 1 35 GLN H 1 35 GLN QG . . 2.710 2.227 1.891 2.934 0.224 19 0 "[ . 1 . 2]" 1 1969 1 35 GLN HA 1 35 GLN QG . . 3.100 2.504 2.335 3.163 0.063 7 0 "[ . 1 . 2]" 1 1970 1 35 GLN HB2 1 39 LYS QG . . 4.070 3.083 1.991 4.080 0.010 12 0 "[ . 1 . 2]" 1 1971 1 35 GLN HB2 1 39 LYS QE . . 4.700 3.668 2.066 4.702 0.002 15 0 "[ . 1 . 2]" 1 1972 1 35 GLN HB3 1 35 GLN QG . . 2.500 2.373 2.153 2.476 . 0 0 "[ . 1 . 2]" 1 1973 1 35 GLN HB3 1 39 LYS QB . . 4.650 4.278 3.926 4.647 . 0 0 "[ . 1 . 2]" 1 1974 1 35 GLN HB3 1 39 LYS QG . . 4.130 3.288 2.443 4.062 . 0 0 "[ . 1 . 2]" 1 1975 1 35 GLN HB3 1 39 LYS QE . . 3.820 3.077 1.968 3.822 0.002 16 0 "[ . 1 . 2]" 1 1976 1 35 GLN QG 1 36 GLY H . . 4.230 3.927 3.702 4.313 0.083 15 0 "[ . 1 . 2]" 1 1977 1 36 GLY H 1 39 LYS QB . . 5.340 3.599 3.242 4.005 . 0 0 "[ . 1 . 2]" 1 1978 1 36 GLY H 1 39 LYS QG . . 5.340 3.876 3.189 5.013 . 0 0 "[ . 1 . 2]" 1 1979 1 36 GLY HA3 1 39 LYS QG . . 5.340 3.566 2.747 4.818 . 0 0 "[ . 1 . 2]" 1 1980 1 37 ALA HA 1 52 VAL QG . . 3.390 2.129 1.965 2.290 . 0 0 "[ . 1 . 2]" 1 1981 1 37 ALA MB 1 52 VAL QG . . 3.140 2.019 1.822 2.288 . 0 0 "[ . 1 . 2]" 1 1982 1 38 SER H 1 39 LYS QB . . 5.010 4.344 3.995 4.828 . 0 0 "[ . 1 . 2]" 1 1983 1 38 SER QB 1 39 LYS H . . 3.740 3.046 2.601 3.636 . 0 0 "[ . 1 . 2]" 1 1984 1 39 LYS H 1 39 LYS QB . . 2.580 2.442 2.346 2.542 . 0 0 "[ . 1 . 2]" 1 1985 1 39 LYS H 1 39 LYS QG . . 3.290 2.496 2.021 3.311 0.021 15 0 "[ . 1 . 2]" 1 1986 1 39 LYS H 1 39 LYS QE . . 5.260 4.441 3.738 5.079 . 0 0 "[ . 1 . 2]" 1 1987 1 39 LYS HA 1 39 LYS QB . . 2.640 2.366 2.319 2.413 . 0 0 "[ . 1 . 2]" 1 1988 1 39 LYS HA 1 39 LYS QG . . 3.320 2.569 2.259 2.959 . 0 0 "[ . 1 . 2]" 1 1989 1 39 LYS QB 1 39 LYS QD . . 3.310 2.212 2.031 2.554 . 0 0 "[ . 1 . 2]" 1 1990 1 39 LYS QB 1 40 LYS H . . 3.050 2.799 2.362 2.996 . 0 0 "[ . 1 . 2]" 1 1991 1 39 LYS QD 1 39 LYS QG . . 2.360 2.068 2.016 2.092 . 0 0 "[ . 1 . 2]" 1 1992 1 39 LYS QE 1 39 LYS QG . . 2.990 2.205 2.063 2.398 . 0 0 "[ . 1 . 2]" 1 1993 1 41 CYS HG 1 52 VAL QG . . 3.570 2.339 2.189 2.540 . 0 0 "[ . 1 . 2]" 1 1994 1 42 ILE MG 1 50 LEU QD . . 3.200 2.946 2.698 3.113 . 0 0 "[ . 1 . 2]" 1 1995 1 42 ILE HG13 1 52 VAL QG . . 5.300 3.531 3.143 3.845 . 0 0 "[ . 1 . 2]" 1 1996 1 42 ILE MD 1 78 LEU QD . . 5.440 4.104 3.862 4.335 . 0 0 "[ . 1 . 2]" 1 1997 1 44 ASN H 1 48 ASP QB . . 4.220 4.103 3.934 4.225 0.005 10 0 "[ . 1 . 2]" 1 1998 1 44 ASN H 1 50 LEU QD . . 3.390 3.050 2.211 3.389 . 0 0 "[ . 1 . 2]" 1 1999 1 44 ASN HA 1 50 LEU QD . . 4.050 3.891 3.509 4.057 0.007 9 0 "[ . 1 . 2]" 1 2000 1 44 ASN HB2 1 50 LEU QD . . 3.630 3.442 3.341 3.629 . 0 0 "[ . 1 . 2]" 1 2001 1 44 ASN HB3 1 50 LEU QD . . 2.980 2.062 1.945 2.297 . 0 0 "[ . 1 . 2]" 1 2002 1 44 ASN HD21 1 48 ASP QB . . 3.390 3.024 2.545 3.385 . 0 0 "[ . 1 . 2]" 1 2003 1 44 ASN HD21 1 50 LEU QD . . 3.140 2.907 2.429 3.150 0.010 1 0 "[ . 1 . 2]" 1 2004 1 44 ASN HD22 1 48 ASP QB . . 2.860 1.983 1.894 2.434 . 0 0 "[ . 1 . 2]" 1 2005 1 44 ASN HD22 1 50 LEU QD . . 3.970 3.738 3.341 3.994 0.024 14 0 "[ . 1 . 2]" 1 2006 1 45 GLU H 1 50 LEU QD . . 5.440 5.149 4.961 5.310 . 0 0 "[ . 1 . 2]" 1 2007 1 45 GLU QB 1 45 GLU QG . . 2.280 2.037 2.016 2.062 . 0 0 "[ . 1 . 2]" 1 2008 1 45 GLU QG 1 46 ALA H . . 4.180 3.774 2.114 4.173 . 0 0 "[ . 1 . 2]" 1 2009 1 46 ALA MB 1 48 ASP QB . . 3.660 2.983 2.711 3.169 . 0 0 "[ . 1 . 2]" 1 2010 1 47 GLY H 1 48 ASP QB . . 4.860 4.589 4.373 4.740 . 0 0 "[ . 1 . 2]" 1 2011 1 48 ASP H 1 48 ASP QB . . 2.550 2.346 2.170 2.464 . 0 0 "[ . 1 . 2]" 1 2012 1 48 ASP QB 1 49 TRP H . . 3.520 3.372 3.111 3.516 . 0 0 "[ . 1 . 2]" 1 2013 1 48 ASP QB 1 50 LEU QD . . 3.500 3.132 2.556 3.350 . 0 0 "[ . 1 . 2]" 1 2014 1 50 LEU H 1 50 LEU QD . . 3.680 3.379 2.202 3.631 . 0 0 "[ . 1 . 2]" 1 2015 1 50 LEU HA 1 50 LEU QD . . 2.690 2.314 1.906 2.520 . 0 0 "[ . 1 . 2]" 1 2016 1 50 LEU HB2 1 50 LEU QD . . 3.100 2.060 1.970 2.186 . 0 0 "[ . 1 . 2]" 1 2017 1 50 LEU HB3 1 50 LEU QD . . 2.880 2.112 1.982 2.374 . 0 0 "[ . 1 . 2]" 1 2018 1 50 LEU QD 1 51 THR H . . 3.730 3.501 3.365 3.654 . 0 0 "[ . 1 . 2]" 1 2019 1 50 LEU QD 1 54 GLU H . . 5.440 4.972 4.781 5.410 . 0 0 "[ . 1 . 2]" 1 2020 1 50 LEU QD 1 54 GLU HB2 . . 3.630 3.232 2.918 3.594 . 0 0 "[ . 1 . 2]" 1 2021 1 50 LEU QD 1 54 GLU HB3 . . 2.860 2.341 2.029 2.920 0.060 7 0 "[ . 1 . 2]" 1 2022 1 50 LEU QD 1 54 GLU QG . . 4.060 3.364 2.529 3.774 . 0 0 "[ . 1 . 2]" 1 2023 1 50 LEU QD 1 55 PHE H . . 4.150 3.646 3.412 4.046 . 0 0 "[ . 1 . 2]" 1 2024 1 50 LEU QD 1 55 PHE HA . . 3.540 2.722 2.215 3.583 0.043 7 0 "[ . 1 . 2]" 1 2025 1 50 LEU QD 1 55 PHE HB2 . . 3.790 3.423 3.074 3.782 . 0 0 "[ . 1 . 2]" 1 2026 1 50 LEU QD 1 55 PHE HB3 . . 5.310 4.608 4.320 5.004 . 0 0 "[ . 1 . 2]" 1 2027 1 50 LEU QD 1 55 PHE QD . . 2.980 2.445 2.079 3.025 0.045 18 0 "[ . 1 . 2]" 1 2028 1 50 LEU QD 1 55 PHE QE . . 4.200 3.911 3.698 4.177 . 0 0 "[ . 1 . 2]" 1 2029 1 50 LEU QD 1 58 GLU HB2 . . 5.000 3.777 3.317 4.680 . 0 0 "[ . 1 . 2]" 1 2030 1 50 LEU QD 1 58 GLU QG . . 3.510 2.512 1.989 3.356 . 0 0 "[ . 1 . 2]" 1 2031 1 51 THR HB 1 52 VAL QG . . 4.170 4.088 3.968 4.204 0.034 5 0 "[ . 1 . 2]" 1 2032 1 52 VAL H 1 52 VAL QG . . 2.600 1.932 1.848 2.208 . 0 0 "[ . 1 . 2]" 1 2033 1 52 VAL HA 1 52 VAL QG . . 2.680 2.131 2.055 2.178 . 0 0 "[ . 1 . 2]" 1 2034 1 52 VAL HA 1 56 LEU QD . . 4.880 4.147 3.799 4.387 . 0 0 "[ . 1 . 2]" 1 2035 1 52 VAL QG 1 53 LYS H . . 3.460 3.344 3.273 3.422 . 0 0 "[ . 1 . 2]" 1 2036 1 52 VAL QG 1 53 LYS HA . . 3.810 3.505 3.357 3.734 . 0 0 "[ . 1 . 2]" 1 2037 1 52 VAL QG 1 53 LYS QB . . 4.490 4.132 3.912 4.452 . 0 0 "[ . 1 . 2]" 1 2038 1 52 VAL QG 1 56 LEU H . . 5.270 4.821 4.669 4.990 . 0 0 "[ . 1 . 2]" 1 2039 1 52 VAL QG 1 56 LEU HG . . 4.230 3.755 3.586 3.936 . 0 0 "[ . 1 . 2]" 1 2040 1 52 VAL QG 1 56 LEU QD . . 3.370 2.879 2.665 2.986 . 0 0 "[ . 1 . 2]" 1 2041 1 52 VAL QG 1 67 TRP HA . . 4.460 4.058 3.935 4.188 . 0 0 "[ . 1 . 2]" 1 2042 1 52 VAL QG 1 67 TRP HB2 . . 3.090 2.259 2.130 2.337 . 0 0 "[ . 1 . 2]" 1 2043 1 52 VAL QG 1 67 TRP HB3 . . 3.390 2.306 2.107 2.593 . 0 0 "[ . 1 . 2]" 1 2044 1 52 VAL QG 1 67 TRP HD1 . . 3.350 2.931 2.636 3.304 . 0 0 "[ . 1 . 2]" 1 2045 1 52 VAL QG 1 67 TRP HE3 . . 3.540 2.664 2.346 3.044 . 0 0 "[ . 1 . 2]" 1 2046 1 52 VAL QG 1 67 TRP HE1 . . 4.300 3.278 3.081 3.687 . 0 0 "[ . 1 . 2]" 1 2047 1 52 VAL QG 1 67 TRP HZ2 . . 4.240 3.680 3.504 3.882 . 0 0 "[ . 1 . 2]" 1 2048 1 52 VAL QG 1 71 ILE HB . . 5.440 5.110 4.819 5.361 . 0 0 "[ . 1 . 2]" 1 2049 1 52 VAL QG 1 71 ILE MD . . 3.350 2.709 2.450 2.954 . 0 0 "[ . 1 . 2]" 1 2050 1 53 LYS H 1 53 LYS QG . . 4.250 3.650 2.680 4.104 . 0 0 "[ . 1 . 2]" 1 2051 1 53 LYS H 1 56 LEU QD . . 5.010 4.333 4.099 4.498 . 0 0 "[ . 1 . 2]" 1 2052 1 53 LYS HA 1 53 LYS QG . . 3.210 2.373 2.204 2.590 . 0 0 "[ . 1 . 2]" 1 2053 1 53 LYS HA 1 56 LEU QD . . 3.660 2.128 1.962 2.373 . 0 0 "[ . 1 . 2]" 1 2054 1 53 LYS QE 1 53 LYS QG . . 3.440 2.204 2.037 2.490 . 0 0 "[ . 1 . 2]" 1 2055 1 54 GLU HA 1 57 ASN QD . . 4.410 3.343 2.493 4.335 . 0 0 "[ . 1 . 2]" 1 2056 1 55 PHE HA 1 58 GLU QG . . 4.470 3.336 3.154 3.838 . 0 0 "[ . 1 . 2]" 1 2057 1 55 PHE HB3 1 56 LEU QD . . 4.980 2.978 2.601 3.359 . 0 0 "[ . 1 . 2]" 1 2058 1 55 PHE QD 1 56 LEU QD . . 5.180 2.719 2.453 2.993 . 0 0 "[ . 1 . 2]" 1 2059 1 55 PHE QD 1 58 GLU QG . . 4.920 4.060 3.750 4.740 . 0 0 "[ . 1 . 2]" 1 2060 1 56 LEU H 1 56 LEU QD . . 3.250 2.698 2.460 2.870 . 0 0 "[ . 1 . 2]" 1 2061 1 56 LEU HB2 1 56 LEU QD . . 3.100 2.289 2.122 2.378 . 0 0 "[ . 1 . 2]" 1 2062 1 56 LEU HB3 1 56 LEU QD . . 2.520 2.060 2.030 2.119 . 0 0 "[ . 1 . 2]" 1 2063 1 56 LEU HB3 1 64 SER QB . . 5.340 4.286 3.581 4.682 . 0 0 "[ . 1 . 2]" 1 2064 1 56 LEU QD 1 57 ASN H . . 4.100 3.839 3.751 3.926 . 0 0 "[ . 1 . 2]" 1 2065 1 56 LEU QD 1 61 ARG HB3 . . 4.010 3.430 3.066 3.937 . 0 0 "[ . 1 . 2]" 1 2066 1 56 LEU QD 1 64 SER QB . . 4.180 3.288 2.633 3.745 . 0 0 "[ . 1 . 2]" 1 2067 1 56 LEU QD 1 67 TRP H . . 4.490 3.880 3.639 4.034 . 0 0 "[ . 1 . 2]" 1 2068 1 56 LEU QD 1 67 TRP HA . . 2.810 2.269 2.081 2.382 . 0 0 "[ . 1 . 2]" 1 2069 1 56 LEU QD 1 67 TRP HB2 . . 2.890 2.487 2.249 2.694 . 0 0 "[ . 1 . 2]" 1 2070 1 56 LEU QD 1 71 ILE HG13 . . 3.790 2.259 2.088 2.384 . 0 0 "[ . 1 . 2]" 1 2071 1 57 ASN HA 1 57 ASN QD . . 4.050 3.382 2.743 3.906 . 0 0 "[ . 1 . 2]" 1 2072 1 57 ASN QD 1 62 ALA HA . . 5.340 3.655 1.974 5.169 . 0 0 "[ . 1 . 2]" 1 2073 1 57 ASN QD 1 62 ALA MB . . 3.780 2.312 1.852 3.073 . 0 0 "[ . 1 . 2]" 1 2074 1 58 GLU H 1 58 GLU QG . . 3.560 2.808 2.737 3.335 . 0 0 "[ . 1 . 2]" 1 2075 1 58 GLU HA 1 58 GLU QG . . 3.100 2.510 2.108 2.813 . 0 0 "[ . 1 . 2]" 1 2076 1 58 GLU QG 1 59 GLY H . . 4.490 4.425 4.342 4.554 0.064 8 0 "[ . 1 . 2]" 1 2077 1 61 ARG H 1 61 ARG QD . . 5.070 4.184 2.778 4.823 . 0 0 "[ . 1 . 2]" 1 2078 1 61 ARG HB2 1 61 ARG QD . . 3.450 2.733 2.168 3.295 . 0 0 "[ . 1 . 2]" 1 2079 1 61 ARG HB2 1 64 SER QB . . 4.500 4.002 3.653 4.343 . 0 0 "[ . 1 . 2]" 1 2080 1 61 ARG HB3 1 61 ARG QD . . 3.260 2.527 2.065 3.257 . 0 0 "[ . 1 . 2]" 1 2081 1 61 ARG HB3 1 64 SER QB . . 3.970 2.451 2.067 2.981 . 0 0 "[ . 1 . 2]" 1 2082 1 61 ARG QD 1 64 SER QB . . 5.110 3.335 2.212 4.862 . 0 0 "[ . 1 . 2]" 1 2083 1 61 ARG QD 1 70 VAL HB . . 4.160 2.845 1.974 3.515 . 0 0 "[ . 1 . 2]" 1 2084 1 61 ARG QD 1 70 VAL MG1 . . 3.650 2.354 1.793 3.651 0.001 10 0 "[ . 1 . 2]" 1 2085 1 61 ARG QD 1 70 VAL MG2 . . 4.800 3.907 3.485 4.615 . 0 0 "[ . 1 . 2]" 1 2086 1 64 SER H 1 64 SER QB . . 2.770 2.244 2.135 2.587 . 0 0 "[ . 1 . 2]" 1 2087 1 64 SER QB 1 70 VAL HB . . 5.250 4.119 3.905 4.546 . 0 0 "[ . 1 . 2]" 1 2088 1 64 SER QB 1 70 VAL MG2 . . 3.540 3.227 2.898 3.534 . 0 0 "[ . 1 . 2]" 1 2089 1 65 LYS H 1 65 LYS QG . . 4.450 3.276 1.888 4.123 . 0 0 "[ . 1 . 2]" 1 2090 1 65 LYS H 1 65 LYS QD . . 4.710 3.720 1.881 4.580 . 0 0 "[ . 1 . 2]" 1 2091 1 65 LYS QB 1 65 LYS QD . . 2.450 2.199 2.081 2.445 . 0 0 "[ . 1 . 2]" 1 2092 1 65 LYS QE 1 65 LYS QG . . 3.380 2.204 2.053 2.409 . 0 0 "[ . 1 . 2]" 1 2093 1 66 ASP QB 1 67 TRP H . . 3.950 3.567 3.387 3.918 . 0 0 "[ . 1 . 2]" 1 2094 1 66 ASP QB 1 68 LYS H . . 5.230 3.567 3.217 4.272 . 0 0 "[ . 1 . 2]" 1 2095 1 66 ASP QB 1 69 GLY H . . 4.200 2.914 2.575 3.395 . 0 0 "[ . 1 . 2]" 1 2096 1 66 ASP QB 1 70 VAL MG1 . . 4.800 4.022 3.422 4.791 . 0 0 "[ . 1 . 2]" 1 2097 1 67 TRP HE3 1 78 LEU QD . . 2.750 2.397 2.134 2.557 . 0 0 "[ . 1 . 2]" 1 2098 1 67 TRP HE1 1 68 LYS QE . . 4.710 3.134 2.520 3.886 . 0 0 "[ . 1 . 2]" 1 2099 1 67 TRP HZ3 1 78 LEU QD . . 3.130 1.871 1.780 1.938 . 0 0 "[ . 1 . 2]" 1 2100 1 67 TRP HZ3 1 87 LEU QD . . 4.380 3.878 3.584 4.297 . 0 0 "[ . 1 . 2]" 1 2101 1 67 TRP HZ2 1 68 LYS QE . . 3.240 2.140 1.983 2.399 . 0 0 "[ . 1 . 2]" 1 2102 1 67 TRP HZ2 1 89 SER QB . . 4.940 4.831 4.536 4.959 0.019 19 0 "[ . 1 . 2]" 1 2103 1 67 TRP HH2 1 68 LYS QE . . 3.410 2.935 2.473 3.372 . 0 0 "[ . 1 . 2]" 1 2104 1 67 TRP HH2 1 78 LEU QD . . 4.290 3.458 3.254 3.735 . 0 0 "[ . 1 . 2]" 1 2105 1 67 TRP HH2 1 87 LEU QD . . 4.820 3.764 3.522 4.118 . 0 0 "[ . 1 . 2]" 1 2106 1 67 TRP HH2 1 89 SER QB . . 4.280 4.219 4.017 4.298 0.018 5 0 "[ . 1 . 2]" 1 2107 1 68 LYS H 1 68 LYS QD . . 4.330 3.712 3.293 4.017 . 0 0 "[ . 1 . 2]" 1 2108 1 68 LYS H 1 68 LYS QE . . 5.340 4.109 3.695 4.601 . 0 0 "[ . 1 . 2]" 1 2109 1 68 LYS HA 1 68 LYS QD . . 4.480 4.036 3.932 4.112 . 0 0 "[ . 1 . 2]" 1 2110 1 68 LYS HA 1 78 LEU QD . . 3.440 1.998 1.919 2.151 . 0 0 "[ . 1 . 2]" 1 2111 1 68 LYS QE 1 68 LYS HG2 . . 3.200 2.588 2.279 2.817 . 0 0 "[ . 1 . 2]" 1 2112 1 68 LYS HG2 1 78 LEU QD . . 4.060 2.569 2.017 3.084 . 0 0 "[ . 1 . 2]" 1 2113 1 68 LYS QE 1 68 LYS HG3 . . 3.170 2.283 2.172 2.559 . 0 0 "[ . 1 . 2]" 1 2114 1 68 LYS QD 1 79 ARG HA . . 4.200 3.360 3.040 3.648 . 0 0 "[ . 1 . 2]" 1 2115 1 71 ILE H 1 78 LEU QD . . 5.180 3.972 3.665 4.235 . 0 0 "[ . 1 . 2]" 1 2116 1 71 ILE HB 1 78 LEU QD . . 2.500 2.113 1.948 2.502 0.002 8 0 "[ . 1 . 2]" 1 2117 1 71 ILE MG 1 78 LEU QD . . 2.900 2.102 1.857 2.350 . 0 0 "[ . 1 . 2]" 1 2118 1 71 ILE HG13 1 78 LEU QD . . 5.010 3.919 3.670 4.244 . 0 0 "[ . 1 . 2]" 1 2119 1 71 ILE MD 1 78 LEU QD . . 3.170 2.428 2.063 2.718 . 0 0 "[ . 1 . 2]" 1 2120 1 72 ARG H 1 72 ARG QD . . 5.260 4.485 4.158 4.719 . 0 0 "[ . 1 . 2]" 1 2121 1 72 ARG HA 1 72 ARG QD . . 4.300 3.874 3.656 4.034 . 0 0 "[ . 1 . 2]" 1 2122 1 72 ARG HB3 1 72 ARG QD . . 3.040 2.274 2.172 2.353 . 0 0 "[ . 1 . 2]" 1 2123 1 72 ARG QD 1 73 CYS H . . 5.280 4.902 4.613 5.132 . 0 0 "[ . 1 . 2]" 1 2124 1 72 ARG QD 1 75 GLY H . . 5.050 4.490 3.699 4.760 . 0 0 "[ . 1 . 2]" 1 2125 1 72 ARG QD 1 75 GLY HA2 . . 3.920 3.441 2.788 3.741 . 0 0 "[ . 1 . 2]" 1 2126 1 72 ARG QD 1 75 GLY HA3 . . 5.200 4.829 3.917 5.168 . 0 0 "[ . 1 . 2]" 1 2127 1 72 ARG QD 1 76 GLU H . . 5.160 4.798 3.495 5.165 0.005 12 0 "[ . 1 . 2]" 1 2128 1 72 ARG QD 1 77 THR HA . . 5.100 4.452 4.127 4.808 . 0 0 "[ . 1 . 2]" 1 2129 1 72 ARG QD 1 77 THR MG . . 4.150 3.169 2.614 3.887 . 0 0 "[ . 1 . 2]" 1 2130 1 73 CYS H 1 78 LEU QD . . 4.050 3.640 3.093 3.930 . 0 0 "[ . 1 . 2]" 1 2131 1 73 CYS HB2 1 78 LEU QD . . 3.250 2.287 1.944 2.633 . 0 0 "[ . 1 . 2]" 1 2132 1 73 CYS HB3 1 78 LEU QD . . 4.280 2.941 2.621 3.730 . 0 0 "[ . 1 . 2]" 1 2133 1 74 ASN H 1 74 ASN QB . . 3.490 3.133 2.374 3.413 . 0 0 "[ . 1 . 2]" 1 2134 1 74 ASN QB 1 74 ASN HD21 . . 2.830 2.296 2.114 2.610 . 0 0 "[ . 1 . 2]" 1 2135 1 74 ASN QB 1 74 ASN HD22 . . 3.510 3.284 3.213 3.424 . 0 0 "[ . 1 . 2]" 1 2136 1 74 ASN QB 1 75 GLY H . . 3.910 3.776 3.654 3.821 . 0 0 "[ . 1 . 2]" 1 2137 1 76 GLU H 1 76 GLU QG . . 3.850 3.656 3.401 3.828 . 0 0 "[ . 1 . 2]" 1 2138 1 76 GLU HA 1 76 GLU QG . . 3.250 2.312 2.233 2.566 . 0 0 "[ . 1 . 2]" 1 2139 1 76 GLU HB3 1 76 GLU QG . . 2.510 2.159 2.141 2.210 . 0 0 "[ . 1 . 2]" 1 2140 1 76 GLU QG 1 77 THR H . . 4.090 3.853 3.493 4.049 . 0 0 "[ . 1 . 2]" 1 2141 1 76 GLU QG 1 80 HIS HB3 . . 4.000 3.734 3.095 3.941 . 0 0 "[ . 1 . 2]" 1 2142 1 76 GLU QG 1 80 HIS HD2 . . 3.610 3.211 2.732 3.593 . 0 0 "[ . 1 . 2]" 1 2143 1 76 GLU QG 1 81 LEU MD2 . . 4.020 3.302 2.936 3.756 . 0 0 "[ . 1 . 2]" 1 2144 1 78 LEU H 1 78 LEU QD . . 3.070 2.923 2.845 3.064 . 0 0 "[ . 1 . 2]" 1 2145 1 78 LEU HA 1 78 LEU QD . . 2.610 1.970 1.958 2.060 . 0 0 "[ . 1 . 2]" 1 2146 1 78 LEU HA 1 87 LEU QD . . 3.400 2.731 2.169 3.291 . 0 0 "[ . 1 . 2]" 1 2147 1 78 LEU HB2 1 78 LEU QD . . 3.000 2.211 2.135 2.312 . 0 0 "[ . 1 . 2]" 1 2148 1 78 LEU HB2 1 87 LEU QD . . 4.180 3.500 3.262 3.756 . 0 0 "[ . 1 . 2]" 1 2149 1 78 LEU HB3 1 78 LEU QD . . 2.720 2.124 2.052 2.167 . 0 0 "[ . 1 . 2]" 1 2150 1 78 LEU HB3 1 87 LEU QD . . 3.080 2.143 1.892 2.412 . 0 0 "[ . 1 . 2]" 1 2151 1 78 LEU QD 1 79 ARG H . . 5.040 3.984 3.926 4.084 . 0 0 "[ . 1 . 2]" 1 2152 1 78 LEU QD 1 81 LEU H . . 4.890 4.849 4.770 4.900 0.010 5 0 "[ . 1 . 2]" 1 2153 1 79 ARG H 1 79 ARG QG . . 4.360 3.986 3.941 4.037 . 0 0 "[ . 1 . 2]" 1 2154 1 79 ARG H 1 79 ARG QD . . 5.030 4.427 4.199 4.727 . 0 0 "[ . 1 . 2]" 1 2155 1 79 ARG H 1 87 LEU QD . . 5.360 4.524 4.329 4.730 . 0 0 "[ . 1 . 2]" 1 2156 1 79 ARG HA 1 79 ARG QG . . 3.210 2.644 2.452 3.071 . 0 0 "[ . 1 . 2]" 1 2157 1 79 ARG HA 1 79 ARG QD . . 4.280 3.484 2.024 4.248 . 0 0 "[ . 1 . 2]" 1 2158 1 79 ARG HB3 1 79 ARG QD . . 3.490 2.634 2.098 3.423 . 0 0 "[ . 1 . 2]" 1 2159 1 79 ARG QG 1 80 HIS H . . 4.300 3.653 3.220 4.014 . 0 0 "[ . 1 . 2]" 1 2160 1 79 ARG QG 1 80 HIS HA . . 4.730 3.733 3.256 4.220 . 0 0 "[ . 1 . 2]" 1 2161 1 79 ARG QG 1 80 HIS HB2 . . 5.340 4.896 4.279 5.339 . 0 0 "[ . 1 . 2]" 1 2162 1 79 ARG QG 1 82 GLU H . . 5.340 4.991 4.690 5.189 . 0 0 "[ . 1 . 2]" 1 2163 1 79 ARG QG 1 83 GLN QG . . 4.370 2.876 2.471 3.420 . 0 0 "[ . 1 . 2]" 1 2164 1 79 ARG QG 1 83 GLN HE21 . . 4.260 2.676 1.918 3.702 . 0 0 "[ . 1 . 2]" 1 2165 1 79 ARG QG 1 83 GLN HE22 . . 4.360 3.907 3.129 4.364 0.004 19 0 "[ . 1 . 2]" 1 2166 1 79 ARG QD 1 83 GLN HE21 . . 4.620 2.563 1.842 3.136 . 0 0 "[ . 1 . 2]" 1 2167 1 80 HIS HA 1 83 GLN QG . . 4.010 3.231 2.703 3.602 . 0 0 "[ . 1 . 2]" 1 2168 1 81 LEU HA 1 84 LYS QE . . 5.340 4.266 3.844 4.810 . 0 0 "[ . 1 . 2]" 1 2169 1 81 LEU HB2 1 87 LEU QD . . 4.050 2.919 2.234 3.477 . 0 0 "[ . 1 . 2]" 1 2170 1 82 GLU H 1 82 GLU QG . . 4.030 3.988 3.938 4.055 0.025 3 0 "[ . 1 . 2]" 1 2171 1 82 GLU H 1 87 LEU QD . . 3.660 3.462 3.012 3.671 0.011 10 0 "[ . 1 . 2]" 1 2172 1 82 GLU HA 1 87 LEU QD . . 4.680 3.843 3.551 4.051 . 0 0 "[ . 1 . 2]" 1 2173 1 82 GLU HB2 1 87 LEU QD . . 3.540 2.788 2.194 3.356 . 0 0 "[ . 1 . 2]" 1 2174 1 82 GLU HB3 1 87 LEU QD . . 4.880 4.136 3.629 4.581 . 0 0 "[ . 1 . 2]" 1 2175 1 82 GLU QG 1 83 GLN H . . 4.430 3.880 3.480 4.218 . 0 0 "[ . 1 . 2]" 1 2176 1 82 GLU QG 1 86 LEU H . . 5.260 4.937 4.686 5.290 0.030 19 0 "[ . 1 . 2]" 1 2177 1 82 GLU QG 1 87 LEU H . . 5.340 4.179 3.684 4.662 . 0 0 "[ . 1 . 2]" 1 2178 1 82 GLU QG 1 87 LEU HB3 . . 5.250 3.591 3.043 4.290 . 0 0 "[ . 1 . 2]" 1 2179 1 82 GLU QG 1 87 LEU QD . . 4.760 3.735 3.240 4.422 . 0 0 "[ . 1 . 2]" 1 2180 1 83 GLN H 1 83 GLN QG . . 3.060 2.362 1.970 2.630 . 0 0 "[ . 1 . 2]" 1 2181 1 83 GLN HA 1 83 GLN QG . . 3.330 2.385 2.200 2.827 . 0 0 "[ . 1 . 2]" 1 2182 1 83 GLN QG 1 84 LYS H . . 4.460 4.182 3.948 4.293 . 0 0 "[ . 1 . 2]" 1 2183 1 84 LYS HB3 1 84 LYS QE . . 4.040 2.441 2.078 2.551 . 0 0 "[ . 1 . 2]" 1 2184 1 84 LYS QE 1 86 LEU HG . . 4.290 3.851 3.583 4.306 0.016 19 0 "[ . 1 . 2]" 1 2185 1 87 LEU H 1 87 LEU QD . . 3.910 3.830 3.771 3.895 . 0 0 "[ . 1 . 2]" 1 2186 1 87 LEU HA 1 87 LEU QD . . 3.420 2.505 2.228 2.914 . 0 0 "[ . 1 . 2]" 1 2187 1 87 LEU HB2 1 87 LEU QD . . 2.790 2.067 1.989 2.207 . 0 0 "[ . 1 . 2]" 1 2188 1 87 LEU HB3 1 87 LEU QD . . 2.900 2.055 1.975 2.241 . 0 0 "[ . 1 . 2]" 1 2189 1 87 LEU QD 1 88 PHE H . . 3.560 2.973 2.681 3.323 . 0 0 "[ . 1 . 2]" 1 2190 1 87 LEU QD 1 88 PHE QE . . 4.380 3.271 2.605 3.614 . 0 0 "[ . 1 . 2]" 1 2191 1 87 LEU QD 1 89 SER H . . 4.960 2.474 1.686 3.073 . 0 0 "[ . 1 . 2]" 1 2192 1 87 LEU QD 1 89 SER HA . . 3.910 2.668 2.203 3.155 . 0 0 "[ . 1 . 2]" 1 2193 1 87 LEU QD 1 89 SER QB . . 5.280 2.433 1.968 3.557 . 0 0 "[ . 1 . 2]" 1 2194 1 88 PHE QE 1 90 GLY QA . . 3.680 2.025 1.979 2.268 . 0 0 "[ . 1 . 2]" 1 2195 1 88 PHE HZ 1 90 GLY QA . . 4.420 3.190 2.866 3.516 . 0 0 "[ . 1 . 2]" 1 2196 1 89 SER H 1 89 SER QB . . 3.330 2.976 2.841 3.320 . 0 0 "[ . 1 . 2]" 1 2197 1 91 PRO QB 1 92 SER H . . 3.810 2.984 2.054 3.739 . 0 0 "[ . 1 . 2]" 1 2198 1 91 PRO QB 1 93 SER H . . 5.340 4.249 2.762 5.099 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 4 _Distance_constraint_stats_list.Viol_count 15 _Distance_constraint_stats_list.Viol_total 37.727 _Distance_constraint_stats_list.Viol_max 0.303 _Distance_constraint_stats_list.Viol_rms 0.0685 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0236 _Distance_constraint_stats_list.Viol_average_violations_only 0.1258 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 ILE 0.011 0.007 4 0 "[ . 1 . 2]" 1 78 LEU 1.886 0.303 6 0 "[ . 1 . 2]" 1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 LEU 1.875 0.303 6 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 78 LEU MD2 1 87 LEU MD1 . . 2.500 2.396 1.707 2.803 0.303 6 0 "[ . 1 . 2]" 2 2 1 81 LEU MD2 1 86 LEU MD1 . . 3.500 1.924 1.777 2.130 . 0 0 "[ . 1 . 2]" 2 3 1 71 ILE HB 1 78 LEU HG . . 3.000 2.936 2.817 3.007 0.007 4 0 "[ . 1 . 2]" 2 4 1 28 LEU HG 1 29 PHE HA . . 4.000 3.703 3.638 3.794 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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