NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
419238 | 2e9i | 10142 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e9i 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 1446 _Distance_constraint_stats_list.Viol_count 232 _Distance_constraint_stats_list.Viol_total 42.042 _Distance_constraint_stats_list.Viol_max 0.089 _Distance_constraint_stats_list.Viol_rms 0.0016 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0091 _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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 ILE 0.100 0.075 7 0 "[ . 1 . 2]" 1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 SER 0.007 0.007 15 0 "[ . 1 . 2]" 1 22 VAL 0.050 0.034 13 0 "[ . 1 . 2]" 1 23 ALA 0.044 0.034 13 0 "[ . 1 . 2]" 1 24 THR 0.005 0.005 11 0 "[ . 1 . 2]" 1 25 VAL 0.008 0.005 15 0 "[ . 1 . 2]" 1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 SER 0.006 0.006 15 0 "[ . 1 . 2]" 1 28 ILE 0.000 0.000 20 0 "[ . 1 . 2]" 1 29 CYS 0.002 0.002 4 0 "[ . 1 . 2]" 1 30 ASP 0.001 0.001 5 0 "[ . 1 . 2]" 1 31 LEU 0.037 0.007 18 0 "[ . 1 . 2]" 1 32 ASN 0.007 0.003 18 0 "[ . 1 . 2]" 1 33 LEU 0.001 0.001 15 0 "[ . 1 . 2]" 1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ILE 0.012 0.005 9 0 "[ . 1 . 2]" 1 36 PRO 0.006 0.005 9 0 "[ . 1 . 2]" 1 37 GLU 0.029 0.024 14 0 "[ . 1 . 2]" 1 38 ILE 0.007 0.004 16 0 "[ . 1 . 2]" 1 39 ASN 0.001 0.001 17 0 "[ . 1 . 2]" 1 40 SER 0.002 0.001 17 0 "[ . 1 . 2]" 1 41 SER 0.000 0.000 9 0 "[ . 1 . 2]" 1 42 ASP 0.003 0.002 11 0 "[ . 1 . 2]" 1 43 MET 0.010 0.007 8 0 "[ . 1 . 2]" 1 44 SER 0.011 0.007 8 0 "[ . 1 . 2]" 1 45 ALA 0.001 0.001 7 0 "[ . 1 . 2]" 1 46 HIS 0.000 0.000 15 0 "[ . 1 . 2]" 1 47 VAL 0.019 0.011 17 0 "[ . 1 . 2]" 1 48 THR 0.080 0.022 5 0 "[ . 1 . 2]" 1 49 SER 0.065 0.022 5 0 "[ . 1 . 2]" 1 50 PRO 0.019 0.006 10 0 "[ . 1 . 2]" 1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 GLY 0.021 0.014 17 0 "[ . 1 . 2]" 1 53 ARG 0.017 0.011 10 0 "[ . 1 . 2]" 1 54 VAL 0.021 0.011 17 0 "[ . 1 . 2]" 1 55 THR 0.002 0.001 16 0 "[ . 1 . 2]" 1 56 GLU 0.007 0.006 18 0 "[ . 1 . 2]" 1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 GLU 0.007 0.004 18 0 "[ . 1 . 2]" 1 59 ILE 0.005 0.002 7 0 "[ . 1 . 2]" 1 60 VAL 0.024 0.005 18 0 "[ . 1 . 2]" 1 61 PRO 0.001 0.001 2 0 "[ . 1 . 2]" 1 62 MET 0.039 0.013 6 0 "[ . 1 . 2]" 1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LYS 0.037 0.027 11 0 "[ . 1 . 2]" 1 65 ASN 0.001 0.001 11 0 "[ . 1 . 2]" 1 66 SER 0.067 0.027 11 0 "[ . 1 . 2]" 1 67 HIS 0.042 0.020 14 0 "[ . 1 . 2]" 1 68 CYS 0.030 0.008 3 0 "[ . 1 . 2]" 1 69 VAL 0.011 0.007 18 0 "[ . 1 . 2]" 1 70 ARG 0.044 0.009 9 0 "[ . 1 . 2]" 1 71 PHE 0.009 0.006 9 0 "[ . 1 . 2]" 1 72 VAL 0.288 0.032 11 0 "[ . 1 . 2]" 1 73 PRO 0.294 0.032 11 0 "[ . 1 . 2]" 1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.303 0.089 11 0 "[ . 1 . 2]" 1 76 MET 0.306 0.043 9 0 "[ . 1 . 2]" 1 77 GLY 0.311 0.043 9 0 "[ . 1 . 2]" 1 78 VAL 0.012 0.005 15 0 "[ . 1 . 2]" 1 79 HIS 0.026 0.006 10 0 "[ . 1 . 2]" 1 80 THR 0.009 0.004 17 0 "[ . 1 . 2]" 1 81 VAL 0.007 0.004 15 0 "[ . 1 . 2]" 1 82 SER 0.002 0.002 16 0 "[ . 1 . 2]" 1 83 VAL 0.000 0.000 15 0 "[ . 1 . 2]" 1 84 LYS 0.002 0.001 20 0 "[ . 1 . 2]" 1 85 TYR 0.010 0.005 2 0 "[ . 1 . 2]" 1 86 ARG 0.009 0.006 4 0 "[ . 1 . 2]" 1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 GLN 0.002 0.001 16 0 "[ . 1 . 2]" 1 89 HIS 0.006 0.001 11 0 "[ . 1 . 2]" 1 90 VAL 0.001 0.001 17 0 "[ . 1 . 2]" 1 91 THR 0.000 0.000 16 0 "[ . 1 . 2]" 1 92 GLY 0.000 0.000 16 0 "[ . 1 . 2]" 1 93 SER 0.023 0.011 15 0 "[ . 1 . 2]" 1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 PHE 0.100 0.023 6 0 "[ . 1 . 2]" 1 96 GLN 0.489 0.063 20 0 "[ . 1 . 2]" 1 97 PHE 0.041 0.005 15 0 "[ . 1 . 2]" 1 98 THR 0.009 0.004 11 0 "[ . 1 . 2]" 1 99 VAL 0.011 0.008 15 0 "[ . 1 . 2]" 1 100 GLY 0.042 0.019 6 0 "[ . 1 . 2]" 1 101 PRO 0.031 0.019 6 0 "[ . 1 . 2]" 1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 GLU 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 8 ARG H 1 8 ARG QG . . 5.020 3.458 2.280 4.164 . 0 0 "[ . 1 . 2]" 1 2 1 8 ARG HA 1 8 ARG QD . . 4.340 3.455 2.108 4.148 . 0 0 "[ . 1 . 2]" 1 3 1 8 ARG HA 1 9 VAL H . . 3.200 2.362 2.147 2.760 . 0 0 "[ . 1 . 2]" 1 4 1 8 ARG QB 1 8 ARG QD . . 3.480 2.274 2.032 2.666 . 0 0 "[ . 1 . 2]" 1 5 1 9 VAL H 1 9 VAL HB . . 3.710 2.947 2.428 3.709 . 0 0 "[ . 1 . 2]" 1 6 1 9 VAL H 1 9 VAL MG1 . . 4.570 3.110 1.929 3.900 . 0 0 "[ . 1 . 2]" 1 7 1 9 VAL H 1 9 VAL QG . . 3.940 2.276 1.869 3.100 . 0 0 "[ . 1 . 2]" 1 8 1 9 VAL H 1 9 VAL MG2 . . 4.570 2.941 1.897 3.974 . 0 0 "[ . 1 . 2]" 1 9 1 9 VAL HA 1 10 LYS H . . 3.290 2.212 2.139 2.801 . 0 0 "[ . 1 . 2]" 1 10 1 9 VAL HB 1 10 LYS H . . 4.630 4.136 3.265 4.624 . 0 0 "[ . 1 . 2]" 1 11 1 9 VAL QG 1 10 LYS H . . 4.700 2.706 1.929 3.630 . 0 0 "[ . 1 . 2]" 1 12 1 10 LYS H 1 10 LYS QB . . 3.630 2.645 2.220 3.231 . 0 0 "[ . 1 . 2]" 1 13 1 10 LYS H 1 10 LYS QG . . 4.720 3.141 2.026 4.244 . 0 0 "[ . 1 . 2]" 1 14 1 10 LYS HA 1 11 GLU H . . 3.290 2.366 2.142 2.774 . 0 0 "[ . 1 . 2]" 1 15 1 11 GLU H 1 11 GLU QB . . 3.580 2.553 2.171 3.084 . 0 0 "[ . 1 . 2]" 1 16 1 11 GLU H 1 11 GLU QG . . 4.590 2.940 1.919 4.392 . 0 0 "[ . 1 . 2]" 1 17 1 12 SER HA 1 13 ILE H . . 3.370 2.262 2.139 2.709 . 0 0 "[ . 1 . 2]" 1 18 1 12 SER QB 1 13 ILE H . . 4.570 3.214 2.305 4.037 . 0 0 "[ . 1 . 2]" 1 19 1 13 ILE H 1 13 ILE HB . . 3.850 3.070 2.572 3.854 0.004 12 0 "[ . 1 . 2]" 1 20 1 13 ILE H 1 13 ILE MD . . 4.860 3.488 1.820 4.526 . 0 0 "[ . 1 . 2]" 1 21 1 13 ILE H 1 13 ILE HG12 . . 4.440 3.400 2.116 4.440 0.000 7 0 "[ . 1 . 2]" 1 22 1 13 ILE H 1 13 ILE QG . . 3.890 2.846 2.032 3.965 0.075 7 0 "[ . 1 . 2]" 1 23 1 13 ILE H 1 13 ILE HG13 . . 4.440 3.446 2.150 4.460 0.020 7 0 "[ . 1 . 2]" 1 24 1 13 ILE H 1 13 ILE MG . . 4.540 3.054 1.843 3.947 . 0 0 "[ . 1 . 2]" 1 25 1 13 ILE HA 1 13 ILE MD . . 4.390 3.399 2.002 4.149 . 0 0 "[ . 1 . 2]" 1 26 1 13 ILE HA 1 13 ILE QG . . 3.630 2.868 2.333 3.423 . 0 0 "[ . 1 . 2]" 1 27 1 13 ILE HA 1 13 ILE MG . . 3.260 2.495 2.075 3.182 . 0 0 "[ . 1 . 2]" 1 28 1 13 ILE HA 1 14 THR H . . 3.470 2.385 2.138 3.451 . 0 0 "[ . 1 . 2]" 1 29 1 13 ILE HA 1 14 THR MG . . 4.810 3.919 3.492 4.706 . 0 0 "[ . 1 . 2]" 1 30 1 13 ILE HB 1 14 THR H . . 5.150 3.729 2.045 4.463 . 0 0 "[ . 1 . 2]" 1 31 1 13 ILE HG12 1 13 ILE MG . . 3.680 2.467 2.028 3.200 . 0 0 "[ . 1 . 2]" 1 32 1 13 ILE HG13 1 13 ILE MG . . 3.680 2.823 2.126 3.188 . 0 0 "[ . 1 . 2]" 1 33 1 13 ILE MG 1 14 THR H . . 4.720 3.497 2.160 4.410 . 0 0 "[ . 1 . 2]" 1 34 1 14 THR H 1 14 THR MG . . 4.530 2.341 1.890 3.358 . 0 0 "[ . 1 . 2]" 1 35 1 14 THR HA 1 14 THR HB . . 2.700 2.446 2.285 2.567 . 0 0 "[ . 1 . 2]" 1 36 1 14 THR HA 1 14 THR MG . . 3.480 2.742 2.114 3.205 . 0 0 "[ . 1 . 2]" 1 37 1 15 ARG QB 1 15 ARG QD . . 3.330 2.181 2.066 2.711 . 0 0 "[ . 1 . 2]" 1 38 1 16 THR H 1 16 THR MG . . 4.800 2.890 1.982 3.986 . 0 0 "[ . 1 . 2]" 1 39 1 16 THR HA 1 16 THR MG . . 3.540 2.549 2.184 3.200 . 0 0 "[ . 1 . 2]" 1 40 1 18 ARG H 1 18 ARG QG . . 4.080 3.260 2.022 4.068 . 0 0 "[ . 1 . 2]" 1 41 1 18 ARG HA 1 18 ARG QD . . 4.460 3.406 2.059 4.459 . 0 0 "[ . 1 . 2]" 1 42 1 18 ARG HA 1 18 ARG QG . . 3.780 2.654 2.202 3.446 . 0 0 "[ . 1 . 2]" 1 43 1 18 ARG HA 1 19 ALA H . . 3.260 2.320 2.140 3.200 . 0 0 "[ . 1 . 2]" 1 44 1 18 ARG HB2 1 19 ALA H . . 5.370 3.969 2.276 4.577 . 0 0 "[ . 1 . 2]" 1 45 1 18 ARG HB3 1 19 ALA H . . 5.370 3.815 2.435 4.461 . 0 0 "[ . 1 . 2]" 1 46 1 19 ALA H 1 19 ALA MB . . 3.430 2.481 2.086 2.900 . 0 0 "[ . 1 . 2]" 1 47 1 19 ALA HA 1 20 PRO HD2 . . 3.240 2.293 2.206 2.550 . 0 0 "[ . 1 . 2]" 1 48 1 19 ALA HA 1 20 PRO HD3 . . 3.240 2.271 2.254 2.369 . 0 0 "[ . 1 . 2]" 1 49 1 19 ALA HA 1 20 PRO HG2 . . 5.260 4.426 4.357 4.635 . 0 0 "[ . 1 . 2]" 1 50 1 19 ALA HA 1 20 PRO QG . . 4.500 3.938 3.888 4.099 . 0 0 "[ . 1 . 2]" 1 51 1 19 ALA HA 1 20 PRO HG3 . . 5.260 4.415 4.371 4.568 . 0 0 "[ . 1 . 2]" 1 52 1 19 ALA MB 1 20 PRO HD2 . . 3.970 2.218 1.934 2.403 . 0 0 "[ . 1 . 2]" 1 53 1 19 ALA MB 1 20 PRO QD . . 3.300 2.190 1.916 2.364 . 0 0 "[ . 1 . 2]" 1 54 1 19 ALA MB 1 20 PRO HD3 . . 3.970 3.389 3.102 3.528 . 0 0 "[ . 1 . 2]" 1 55 1 20 PRO HA 1 21 SER H . . 3.350 2.541 2.152 3.350 . 0 0 "[ . 1 . 2]" 1 56 1 20 PRO QG 1 21 SER H . . 4.930 4.168 3.114 4.754 . 0 0 "[ . 1 . 2]" 1 57 1 21 SER H 1 21 SER QB . . 3.900 2.813 2.179 3.366 . 0 0 "[ . 1 . 2]" 1 58 1 21 SER H 1 22 VAL H . . 4.390 4.044 2.507 4.388 . 0 0 "[ . 1 . 2]" 1 59 1 21 SER HA 1 22 VAL H . . 2.930 2.289 2.139 2.881 . 0 0 "[ . 1 . 2]" 1 60 1 21 SER QB 1 22 VAL H . . 3.820 3.323 2.832 3.827 0.007 15 0 "[ . 1 . 2]" 1 61 1 21 SER QB 1 22 VAL MG1 . . 5.500 4.851 3.720 5.488 . 0 0 "[ . 1 . 2]" 1 62 1 21 SER QB 1 22 VAL MG2 . . 5.500 4.622 3.945 5.436 . 0 0 "[ . 1 . 2]" 1 63 1 22 VAL H 1 22 VAL HB . . 3.710 3.292 2.526 3.711 0.001 1 0 "[ . 1 . 2]" 1 64 1 22 VAL H 1 22 VAL MG1 . . 3.920 2.796 1.893 3.921 0.001 17 0 "[ . 1 . 2]" 1 65 1 22 VAL H 1 22 VAL QG . . 3.100 2.093 1.847 2.861 . 0 0 "[ . 1 . 2]" 1 66 1 22 VAL H 1 22 VAL MG2 . . 3.920 2.355 1.899 3.774 . 0 0 "[ . 1 . 2]" 1 67 1 22 VAL H 1 23 ALA H . . 4.580 4.415 2.840 4.614 0.034 13 0 "[ . 1 . 2]" 1 68 1 22 VAL HA 1 22 VAL MG1 . . 3.550 2.403 2.113 3.204 . 0 0 "[ . 1 . 2]" 1 69 1 22 VAL HA 1 22 VAL QG . . 3.100 2.219 2.053 2.349 . 0 0 "[ . 1 . 2]" 1 70 1 22 VAL HA 1 22 VAL MG2 . . 3.550 2.900 2.309 3.203 . 0 0 "[ . 1 . 2]" 1 71 1 22 VAL HA 1 23 ALA H . . 2.980 2.286 2.141 2.804 . 0 0 "[ . 1 . 2]" 1 72 1 22 VAL HB 1 23 ALA H . . 4.300 3.263 2.024 4.303 0.003 17 0 "[ . 1 . 2]" 1 73 1 22 VAL QG 1 23 ALA H . . 3.980 3.088 2.160 3.714 . 0 0 "[ . 1 . 2]" 1 74 1 22 VAL MG1 1 23 ALA H . . 4.840 3.550 2.170 4.070 . 0 0 "[ . 1 . 2]" 1 75 1 22 VAL MG2 1 23 ALA H . . 4.840 3.677 2.300 4.324 . 0 0 "[ . 1 . 2]" 1 76 1 23 ALA H 1 23 ALA MB . . 3.260 2.529 2.067 2.885 . 0 0 "[ . 1 . 2]" 1 77 1 23 ALA HA 1 24 THR H . . 3.050 2.231 2.142 2.465 . 0 0 "[ . 1 . 2]" 1 78 1 23 ALA HA 1 99 VAL MG1 . . 4.380 4.153 3.794 4.359 . 0 0 "[ . 1 . 2]" 1 79 1 23 ALA MB 1 24 THR H . . 3.730 2.886 2.255 3.349 . 0 0 "[ . 1 . 2]" 1 80 1 23 ALA MB 1 97 PHE QD . . 4.540 2.392 2.039 3.004 . 0 0 "[ . 1 . 2]" 1 81 1 23 ALA MB 1 97 PHE QE . . 3.710 2.571 2.155 3.130 . 0 0 "[ . 1 . 2]" 1 82 1 23 ALA MB 1 97 PHE HZ . . 4.440 4.305 3.735 4.443 0.003 7 0 "[ . 1 . 2]" 1 83 1 23 ALA MB 1 99 VAL HA . . 3.650 2.540 2.073 3.087 . 0 0 "[ . 1 . 2]" 1 84 1 23 ALA MB 1 99 VAL MG2 . . 3.480 2.389 1.826 3.062 . 0 0 "[ . 1 . 2]" 1 85 1 23 ALA MB 1 100 GLY H . . 4.340 3.829 2.733 4.317 . 0 0 "[ . 1 . 2]" 1 86 1 24 THR H 1 24 THR HB . . 3.900 2.974 2.611 3.552 . 0 0 "[ . 1 . 2]" 1 87 1 24 THR H 1 24 THR MG . . 3.920 2.902 1.983 3.925 0.005 11 0 "[ . 1 . 2]" 1 88 1 24 THR H 1 25 VAL H . . 4.910 4.491 4.417 4.576 . 0 0 "[ . 1 . 2]" 1 89 1 24 THR H 1 73 PRO HG2 . . 4.920 4.129 3.555 4.707 . 0 0 "[ . 1 . 2]" 1 90 1 24 THR H 1 99 VAL MG1 . . 4.500 3.297 2.642 3.654 . 0 0 "[ . 1 . 2]" 1 91 1 24 THR HA 1 24 THR MG . . 3.370 2.757 2.048 3.203 . 0 0 "[ . 1 . 2]" 1 92 1 24 THR HA 1 25 VAL H . . 3.090 2.424 2.198 2.628 . 0 0 "[ . 1 . 2]" 1 93 1 24 THR HA 1 25 VAL MG1 . . 3.850 3.733 3.509 3.842 . 0 0 "[ . 1 . 2]" 1 94 1 24 THR HA 1 99 VAL MG1 . . 3.690 2.623 1.936 3.274 . 0 0 "[ . 1 . 2]" 1 95 1 24 THR HA 1 100 GLY H . . 3.780 3.021 2.362 3.663 . 0 0 "[ . 1 . 2]" 1 96 1 24 THR HB 1 25 VAL H . . 3.830 3.569 3.338 3.750 . 0 0 "[ . 1 . 2]" 1 97 1 24 THR HB 1 99 VAL MG1 . . 5.010 4.426 3.843 4.874 . 0 0 "[ . 1 . 2]" 1 98 1 24 THR MG 1 25 VAL H . . 3.900 2.725 1.774 3.778 . 0 0 "[ . 1 . 2]" 1 99 1 24 THR MG 1 27 SER H . . 4.700 4.157 3.490 4.631 . 0 0 "[ . 1 . 2]" 1 100 1 24 THR MG 1 27 SER HB2 . . 4.600 2.945 2.032 3.863 . 0 0 "[ . 1 . 2]" 1 101 1 24 THR MG 1 27 SER QB . . 4.040 2.497 1.965 3.539 . 0 0 "[ . 1 . 2]" 1 102 1 24 THR MG 1 27 SER HB3 . . 4.600 3.015 2.102 4.251 . 0 0 "[ . 1 . 2]" 1 103 1 24 THR MG 1 100 GLY H . . 5.340 5.045 4.487 5.337 . 0 0 "[ . 1 . 2]" 1 104 1 25 VAL H 1 25 VAL HB . . 3.300 3.052 2.767 3.234 . 0 0 "[ . 1 . 2]" 1 105 1 25 VAL H 1 25 VAL MG1 . . 3.180 1.959 1.891 2.246 . 0 0 "[ . 1 . 2]" 1 106 1 25 VAL H 1 25 VAL MG2 . . 4.390 3.834 3.719 3.912 . 0 0 "[ . 1 . 2]" 1 107 1 25 VAL H 1 26 GLY H . . 5.230 4.460 4.387 4.554 . 0 0 "[ . 1 . 2]" 1 108 1 25 VAL H 1 99 VAL MG1 . . 3.710 2.964 2.563 3.534 . 0 0 "[ . 1 . 2]" 1 109 1 25 VAL H 1 100 GLY H . . 5.010 4.217 3.795 4.696 . 0 0 "[ . 1 . 2]" 1 110 1 25 VAL HA 1 25 VAL MG1 . . 3.560 3.196 3.173 3.204 . 0 0 "[ . 1 . 2]" 1 111 1 25 VAL HA 1 25 VAL MG2 . . 3.460 2.370 2.269 2.502 . 0 0 "[ . 1 . 2]" 1 112 1 25 VAL HA 1 26 GLY H . . 3.080 2.212 2.146 2.341 . 0 0 "[ . 1 . 2]" 1 113 1 25 VAL HA 1 27 SER H . . 4.360 3.743 3.421 4.032 . 0 0 "[ . 1 . 2]" 1 114 1 25 VAL HA 1 73 PRO HG2 . . 3.710 3.367 2.946 3.533 . 0 0 "[ . 1 . 2]" 1 115 1 25 VAL HA 1 73 PRO HG3 . . 5.270 5.118 4.671 5.275 0.005 15 0 "[ . 1 . 2]" 1 116 1 25 VAL HA 1 99 VAL MG1 . . 4.100 2.565 2.182 2.940 . 0 0 "[ . 1 . 2]" 1 117 1 25 VAL HB 1 26 GLY H . . 4.370 4.045 3.761 4.293 . 0 0 "[ . 1 . 2]" 1 118 1 25 VAL HB 1 74 GLN HA . . 5.500 4.084 3.271 4.516 . 0 0 "[ . 1 . 2]" 1 119 1 25 VAL MG1 1 26 GLY QA . . 4.910 3.727 3.521 4.027 . 0 0 "[ . 1 . 2]" 1 120 1 25 VAL MG1 1 100 GLY H . . 4.690 4.126 3.503 4.498 . 0 0 "[ . 1 . 2]" 1 121 1 25 VAL MG1 1 100 GLY HA2 . . 4.810 4.277 3.582 4.813 0.003 5 0 "[ . 1 . 2]" 1 122 1 25 VAL MG1 1 101 PRO HA . . 4.080 2.130 1.801 2.648 . 0 0 "[ . 1 . 2]" 1 123 1 25 VAL MG1 1 102 LEU H . . 3.840 3.509 2.954 3.811 . 0 0 "[ . 1 . 2]" 1 124 1 25 VAL MG2 1 26 GLY H . . 3.470 2.228 1.893 2.520 . 0 0 "[ . 1 . 2]" 1 125 1 25 VAL MG2 1 26 GLY QA . . 4.250 2.971 2.732 3.184 . 0 0 "[ . 1 . 2]" 1 126 1 25 VAL MG2 1 27 SER H . . 4.810 4.416 4.191 4.624 . 0 0 "[ . 1 . 2]" 1 127 1 25 VAL MG2 1 74 GLN HA . . 3.400 2.287 1.924 2.565 . 0 0 "[ . 1 . 2]" 1 128 1 25 VAL MG2 1 75 GLU H . . 3.960 3.253 2.739 3.874 . 0 0 "[ . 1 . 2]" 1 129 1 26 GLY H 1 27 SER H . . 3.440 2.574 2.193 2.867 . 0 0 "[ . 1 . 2]" 1 130 1 26 GLY H 1 72 VAL MG1 . . 3.920 2.627 2.353 2.880 . 0 0 "[ . 1 . 2]" 1 131 1 26 GLY H 1 73 PRO HD2 . . 4.890 4.352 4.078 4.675 . 0 0 "[ . 1 . 2]" 1 132 1 26 GLY H 1 73 PRO HG2 . . 5.220 4.412 3.967 5.071 . 0 0 "[ . 1 . 2]" 1 133 1 26 GLY QA 1 72 VAL MG1 . . 3.310 2.335 1.844 2.522 . 0 0 "[ . 1 . 2]" 1 134 1 26 GLY HA2 1 72 VAL MG1 . . 3.920 2.361 1.857 2.554 . 0 0 "[ . 1 . 2]" 1 135 1 26 GLY HA3 1 72 VAL MG1 . . 3.920 3.705 3.145 3.918 . 0 0 "[ . 1 . 2]" 1 136 1 27 SER H 1 27 SER HB2 . . 3.980 3.226 2.674 3.986 0.006 15 0 "[ . 1 . 2]" 1 137 1 27 SER H 1 27 SER QB . . 3.220 2.875 2.616 3.185 . 0 0 "[ . 1 . 2]" 1 138 1 27 SER H 1 27 SER HB3 . . 3.980 3.452 2.882 3.928 . 0 0 "[ . 1 . 2]" 1 139 1 27 SER H 1 28 ILE H . . 4.690 4.274 4.107 4.411 . 0 0 "[ . 1 . 2]" 1 140 1 27 SER H 1 72 VAL HA . . 4.030 3.490 3.109 3.690 . 0 0 "[ . 1 . 2]" 1 141 1 27 SER H 1 72 VAL HB . . 5.230 4.919 4.415 5.219 . 0 0 "[ . 1 . 2]" 1 142 1 27 SER H 1 72 VAL MG1 . . 3.860 2.125 1.725 2.483 . 0 0 "[ . 1 . 2]" 1 143 1 27 SER H 1 73 PRO HD2 . . 4.070 3.488 3.128 3.866 . 0 0 "[ . 1 . 2]" 1 144 1 27 SER H 1 73 PRO HG2 . . 5.490 4.591 4.240 5.273 . 0 0 "[ . 1 . 2]" 1 145 1 27 SER HA 1 28 ILE H . . 3.240 2.280 2.171 2.513 . 0 0 "[ . 1 . 2]" 1 146 1 27 SER HA 1 28 ILE HB . . 5.090 4.750 4.657 4.886 . 0 0 "[ . 1 . 2]" 1 147 1 27 SER HA 1 28 ILE QG . . 5.010 3.671 3.544 3.839 . 0 0 "[ . 1 . 2]" 1 148 1 27 SER QB 1 28 ILE H . . 3.440 3.129 2.438 3.440 0.000 20 0 "[ . 1 . 2]" 1 149 1 27 SER HB2 1 28 ILE H . . 4.320 3.946 2.466 4.317 . 0 0 "[ . 1 . 2]" 1 150 1 27 SER HB3 1 28 ILE H . . 4.320 3.430 2.962 4.059 . 0 0 "[ . 1 . 2]" 1 151 1 28 ILE H 1 28 ILE HB . . 3.150 2.498 2.352 2.608 . 0 0 "[ . 1 . 2]" 1 152 1 28 ILE H 1 28 ILE MD . . 4.200 3.534 3.130 3.751 . 0 0 "[ . 1 . 2]" 1 153 1 28 ILE H 1 28 ILE HG12 . . 4.030 3.520 3.099 3.883 . 0 0 "[ . 1 . 2]" 1 154 1 28 ILE H 1 28 ILE QG . . 3.410 2.195 1.952 2.559 . 0 0 "[ . 1 . 2]" 1 155 1 28 ILE H 1 28 ILE HG13 . . 4.030 2.218 1.962 2.595 . 0 0 "[ . 1 . 2]" 1 156 1 28 ILE H 1 28 ILE MG . . 4.030 3.757 3.716 3.778 . 0 0 "[ . 1 . 2]" 1 157 1 28 ILE H 1 29 CYS H . . 5.170 4.289 4.124 4.551 . 0 0 "[ . 1 . 2]" 1 158 1 28 ILE H 1 72 VAL MG2 . . 4.430 3.606 2.438 4.221 . 0 0 "[ . 1 . 2]" 1 159 1 28 ILE HA 1 28 ILE MD . . 4.080 3.831 3.754 3.907 . 0 0 "[ . 1 . 2]" 1 160 1 28 ILE HA 1 28 ILE HG12 . . 4.020 2.559 2.401 2.798 . 0 0 "[ . 1 . 2]" 1 161 1 28 ILE HA 1 28 ILE QG . . 3.530 2.397 2.301 2.495 . 0 0 "[ . 1 . 2]" 1 162 1 28 ILE HA 1 28 ILE HG13 . . 4.020 2.916 2.721 3.147 . 0 0 "[ . 1 . 2]" 1 163 1 28 ILE HA 1 28 ILE MG . . 3.520 2.405 2.285 2.485 . 0 0 "[ . 1 . 2]" 1 164 1 28 ILE HA 1 29 CYS H . . 3.120 2.190 2.143 2.270 . 0 0 "[ . 1 . 2]" 1 165 1 28 ILE HA 1 71 PHE H . . 4.890 3.750 3.510 3.902 . 0 0 "[ . 1 . 2]" 1 166 1 28 ILE HA 1 72 VAL HA . . 4.050 3.196 2.698 3.513 . 0 0 "[ . 1 . 2]" 1 167 1 28 ILE HA 1 72 VAL MG1 . . 4.400 4.113 3.738 4.374 . 0 0 "[ . 1 . 2]" 1 168 1 28 ILE HA 1 72 VAL MG2 . . 3.230 2.624 2.268 2.893 . 0 0 "[ . 1 . 2]" 1 169 1 28 ILE HA 1 73 PRO HD3 . . 4.960 4.484 3.915 4.806 . 0 0 "[ . 1 . 2]" 1 170 1 28 ILE HB 1 28 ILE MD . . 3.270 2.381 2.256 2.528 . 0 0 "[ . 1 . 2]" 1 171 1 28 ILE HB 1 29 CYS H . . 4.520 4.426 4.192 4.497 . 0 0 "[ . 1 . 2]" 1 172 1 28 ILE MD 1 29 CYS H . . 5.500 5.425 5.146 5.500 0.000 8 0 "[ . 1 . 2]" 1 173 1 28 ILE MD 1 70 ARG QD . . 4.170 3.865 3.299 4.165 . 0 0 "[ . 1 . 2]" 1 174 1 28 ILE QG 1 28 ILE MG . . 2.960 2.262 2.139 2.362 . 0 0 "[ . 1 . 2]" 1 175 1 28 ILE QG 1 29 CYS H . . 4.750 4.274 3.964 4.395 . 0 0 "[ . 1 . 2]" 1 176 1 28 ILE QG 1 72 VAL MG2 . . 3.690 2.557 1.993 2.938 . 0 0 "[ . 1 . 2]" 1 177 1 28 ILE HG12 1 28 ILE MG . . 3.480 2.315 2.174 2.432 . 0 0 "[ . 1 . 2]" 1 178 1 28 ILE HG13 1 28 ILE MG . . 3.480 3.188 3.162 3.202 . 0 0 "[ . 1 . 2]" 1 179 1 28 ILE MG 1 29 CYS H . . 4.000 3.103 2.340 3.376 . 0 0 "[ . 1 . 2]" 1 180 1 28 ILE MG 1 70 ARG H . . 5.120 4.949 4.591 5.119 . 0 0 "[ . 1 . 2]" 1 181 1 28 ILE MG 1 70 ARG HA . . 4.760 3.137 2.794 3.538 . 0 0 "[ . 1 . 2]" 1 182 1 28 ILE MG 1 70 ARG HB2 . . 4.570 2.598 1.879 3.794 . 0 0 "[ . 1 . 2]" 1 183 1 28 ILE MG 1 70 ARG QB . . 3.970 2.030 1.863 2.323 . 0 0 "[ . 1 . 2]" 1 184 1 28 ILE MG 1 70 ARG HB3 . . 4.570 2.716 1.907 3.270 . 0 0 "[ . 1 . 2]" 1 185 1 28 ILE MG 1 70 ARG QD . . 3.590 2.992 2.382 3.447 . 0 0 "[ . 1 . 2]" 1 186 1 28 ILE MG 1 70 ARG QG . . 4.220 3.254 2.522 3.772 . 0 0 "[ . 1 . 2]" 1 187 1 28 ILE MG 1 71 PHE H . . 4.210 3.011 2.472 3.343 . 0 0 "[ . 1 . 2]" 1 188 1 29 CYS H 1 29 CYS HB2 . . 4.080 2.795 2.222 3.743 . 0 0 "[ . 1 . 2]" 1 189 1 29 CYS H 1 29 CYS HB3 . . 4.080 2.740 2.386 3.528 . 0 0 "[ . 1 . 2]" 1 190 1 29 CYS H 1 30 ASP H . . 4.890 4.439 4.269 4.570 . 0 0 "[ . 1 . 2]" 1 191 1 29 CYS H 1 72 VAL MG2 . . 4.130 4.007 3.677 4.132 0.002 4 0 "[ . 1 . 2]" 1 192 1 29 CYS H 1 73 PRO HD3 . . 5.100 3.121 2.716 3.578 . 0 0 "[ . 1 . 2]" 1 193 1 29 CYS HA 1 30 ASP H . . 3.150 2.159 2.138 2.253 . 0 0 "[ . 1 . 2]" 1 194 1 29 CYS QB 1 30 ASP H . . 4.350 3.589 2.789 3.937 . 0 0 "[ . 1 . 2]" 1 195 1 29 CYS QB 1 71 PHE H . . 5.340 4.053 3.610 4.893 . 0 0 "[ . 1 . 2]" 1 196 1 29 CYS QB 1 73 PRO HD2 . . 4.570 2.925 2.464 3.817 . 0 0 "[ . 1 . 2]" 1 197 1 29 CYS QB 1 73 PRO HD3 . . 4.280 2.827 1.999 4.089 . 0 0 "[ . 1 . 2]" 1 198 1 29 CYS HB2 1 30 ASP H . . 4.990 4.131 2.844 4.470 . 0 0 "[ . 1 . 2]" 1 199 1 29 CYS HB3 1 30 ASP H . . 4.990 4.088 3.496 4.415 . 0 0 "[ . 1 . 2]" 1 200 1 30 ASP H 1 30 ASP HB2 . . 3.830 3.136 2.421 3.622 . 0 0 "[ . 1 . 2]" 1 201 1 30 ASP H 1 30 ASP QB . . 3.350 2.677 2.263 2.990 . 0 0 "[ . 1 . 2]" 1 202 1 30 ASP H 1 30 ASP HB3 . . 3.830 3.207 2.538 3.682 . 0 0 "[ . 1 . 2]" 1 203 1 30 ASP H 1 31 LEU H . . 4.920 4.418 4.219 4.548 . 0 0 "[ . 1 . 2]" 1 204 1 30 ASP HA 1 31 LEU H . . 2.880 2.148 2.139 2.179 . 0 0 "[ . 1 . 2]" 1 205 1 30 ASP HA 1 31 LEU QB . . 5.010 4.067 3.995 4.126 . 0 0 "[ . 1 . 2]" 1 206 1 30 ASP HA 1 70 ARG H . . 5.210 4.907 4.454 5.111 . 0 0 "[ . 1 . 2]" 1 207 1 30 ASP HA 1 70 ARG HA . . 3.670 2.765 2.381 2.957 . 0 0 "[ . 1 . 2]" 1 208 1 30 ASP HA 1 70 ARG QG . . 5.340 4.226 2.228 5.341 0.001 13 0 "[ . 1 . 2]" 1 209 1 30 ASP HA 1 71 PHE H . . 4.540 4.199 3.843 4.526 . 0 0 "[ . 1 . 2]" 1 210 1 30 ASP QB 1 31 LEU H . . 3.780 3.366 3.030 3.739 . 0 0 "[ . 1 . 2]" 1 211 1 30 ASP HB2 1 31 LEU H . . 4.320 3.847 3.387 4.321 0.001 5 0 "[ . 1 . 2]" 1 212 1 30 ASP HB3 1 31 LEU H . . 4.320 3.911 3.141 4.318 . 0 0 "[ . 1 . 2]" 1 213 1 31 LEU H 1 31 LEU HB2 . . 3.790 2.795 2.625 3.062 . 0 0 "[ . 1 . 2]" 1 214 1 31 LEU H 1 31 LEU QB . . 3.330 2.376 2.275 2.498 . 0 0 "[ . 1 . 2]" 1 215 1 31 LEU H 1 31 LEU HB3 . . 3.790 2.577 2.428 2.647 . 0 0 "[ . 1 . 2]" 1 216 1 31 LEU H 1 31 LEU MD1 . . 5.010 4.218 4.094 4.360 . 0 0 "[ . 1 . 2]" 1 217 1 31 LEU H 1 31 LEU MD2 . . 4.990 4.331 4.198 4.445 . 0 0 "[ . 1 . 2]" 1 218 1 31 LEU H 1 31 LEU HG . . 4.520 4.497 4.414 4.523 0.003 4 0 "[ . 1 . 2]" 1 219 1 31 LEU H 1 32 ASN H . . 4.810 4.133 3.922 4.291 . 0 0 "[ . 1 . 2]" 1 220 1 31 LEU H 1 69 VAL HB . . 4.140 3.471 2.950 3.975 . 0 0 "[ . 1 . 2]" 1 221 1 31 LEU H 1 69 VAL MG1 . . 4.660 4.114 3.404 4.607 . 0 0 "[ . 1 . 2]" 1 222 1 31 LEU H 1 70 ARG HA . . 4.350 3.564 3.036 4.013 . 0 0 "[ . 1 . 2]" 1 223 1 31 LEU H 1 71 PHE H . . 5.420 4.843 4.594 5.140 . 0 0 "[ . 1 . 2]" 1 224 1 31 LEU HA 1 31 LEU MD1 . . 3.930 2.201 1.990 2.455 . 0 0 "[ . 1 . 2]" 1 225 1 31 LEU HA 1 31 LEU MD2 . . 4.050 3.902 3.869 3.936 . 0 0 "[ . 1 . 2]" 1 226 1 31 LEU HA 1 32 ASN H . . 2.980 2.187 2.144 2.209 . 0 0 "[ . 1 . 2]" 1 227 1 31 LEU QB 1 32 ASN H . . 4.210 3.954 3.876 3.982 . 0 0 "[ . 1 . 2]" 1 228 1 31 LEU QB 1 33 LEU MD1 . . 4.300 3.460 3.119 3.767 . 0 0 "[ . 1 . 2]" 1 229 1 31 LEU QB 1 69 VAL H . . 4.700 3.115 2.768 3.482 . 0 0 "[ . 1 . 2]" 1 230 1 31 LEU QB 1 69 VAL HB . . 3.330 2.136 2.019 2.326 . 0 0 "[ . 1 . 2]" 1 231 1 31 LEU QB 1 69 VAL MG1 . . 3.690 3.222 2.639 3.506 . 0 0 "[ . 1 . 2]" 1 232 1 31 LEU HB2 1 32 ASN H . . 5.030 4.501 4.385 4.556 . 0 0 "[ . 1 . 2]" 1 233 1 31 LEU HB2 1 33 LEU MD1 . . 5.020 4.736 4.419 4.977 . 0 0 "[ . 1 . 2]" 1 234 1 31 LEU HB2 1 69 VAL HB . . 3.850 3.612 3.305 3.830 . 0 0 "[ . 1 . 2]" 1 235 1 31 LEU HB2 1 69 VAL MG1 . . 4.530 4.081 3.574 4.438 . 0 0 "[ . 1 . 2]" 1 236 1 31 LEU HB3 1 32 ASN H . . 5.030 4.382 4.318 4.451 . 0 0 "[ . 1 . 2]" 1 237 1 31 LEU HB3 1 33 LEU MD1 . . 5.020 3.558 3.188 3.910 . 0 0 "[ . 1 . 2]" 1 238 1 31 LEU HB3 1 69 VAL HB . . 3.850 2.152 2.035 2.347 . 0 0 "[ . 1 . 2]" 1 239 1 31 LEU HB3 1 69 VAL MG1 . . 4.530 3.377 2.717 3.674 . 0 0 "[ . 1 . 2]" 1 240 1 31 LEU MD1 1 32 ASN H . . 4.370 3.486 3.182 3.820 . 0 0 "[ . 1 . 2]" 1 241 1 31 LEU MD1 1 69 VAL HB . . 4.930 4.824 4.668 4.937 0.007 18 0 "[ . 1 . 2]" 1 242 1 31 LEU MD1 1 95 PHE HB2 . . 5.120 4.766 4.409 5.089 . 0 0 "[ . 1 . 2]" 1 243 1 31 LEU MD1 1 95 PHE QB . . 4.390 4.214 3.823 4.383 . 0 0 "[ . 1 . 2]" 1 244 1 31 LEU MD1 1 95 PHE HB3 . . 5.120 4.714 4.192 5.008 . 0 0 "[ . 1 . 2]" 1 245 1 31 LEU MD1 1 97 PHE QD . . 4.710 4.435 4.029 4.715 0.005 15 0 "[ . 1 . 2]" 1 246 1 31 LEU MD1 1 97 PHE QE . . 4.650 4.388 3.661 4.647 . 0 0 "[ . 1 . 2]" 1 247 1 31 LEU MD2 1 33 LEU MD1 . . 3.570 2.132 1.879 2.623 . 0 0 "[ . 1 . 2]" 1 248 1 31 LEU MD2 1 33 LEU MD2 . . 3.810 2.720 1.948 3.398 . 0 0 "[ . 1 . 2]" 1 249 1 31 LEU MD2 1 95 PHE QB . . 4.240 3.867 3.336 4.200 . 0 0 "[ . 1 . 2]" 1 250 1 31 LEU MD2 1 95 PHE QD . . 4.280 4.028 3.608 4.255 . 0 0 "[ . 1 . 2]" 1 251 1 31 LEU MD2 1 95 PHE QE . . 4.990 4.688 4.263 4.992 0.002 18 0 "[ . 1 . 2]" 1 252 1 31 LEU MD2 1 97 PHE QD . . 5.110 4.966 4.561 5.112 0.002 15 0 "[ . 1 . 2]" 1 253 1 31 LEU MD2 1 97 PHE QE . . 4.530 4.377 3.632 4.534 0.004 18 0 "[ . 1 . 2]" 1 254 1 31 LEU HG 1 32 ASN H . . 5.170 3.667 3.234 3.886 . 0 0 "[ . 1 . 2]" 1 255 1 31 LEU HG 1 33 LEU MD1 . . 4.220 2.944 2.643 3.513 . 0 0 "[ . 1 . 2]" 1 256 1 31 LEU HG 1 69 VAL HB . . 4.500 4.243 3.707 4.462 . 0 0 "[ . 1 . 2]" 1 257 1 32 ASN H 1 32 ASN HB2 . . 3.620 3.000 2.192 3.618 . 0 0 "[ . 1 . 2]" 1 258 1 32 ASN H 1 32 ASN QB . . 3.060 2.474 2.161 2.903 . 0 0 "[ . 1 . 2]" 1 259 1 32 ASN H 1 32 ASN HB3 . . 3.620 2.927 2.209 3.623 0.003 18 0 "[ . 1 . 2]" 1 260 1 32 ASN H 1 32 ASN QD . . 4.620 3.785 2.194 4.603 . 0 0 "[ . 1 . 2]" 1 261 1 32 ASN H 1 33 LEU H . . 5.180 4.460 4.299 4.554 . 0 0 "[ . 1 . 2]" 1 262 1 32 ASN HA 1 68 CYS HA . . 3.500 2.910 2.659 3.336 . 0 0 "[ . 1 . 2]" 1 263 1 32 ASN HA 1 68 CYS HB3 . . 5.500 5.401 4.875 5.503 0.003 15 0 "[ . 1 . 2]" 1 264 1 32 ASN HB2 1 33 LEU H . . 4.840 3.931 3.234 4.435 . 0 0 "[ . 1 . 2]" 1 265 1 32 ASN HB3 1 33 LEU H . . 4.840 4.006 3.228 4.539 . 0 0 "[ . 1 . 2]" 1 266 1 33 LEU H 1 33 LEU MD1 . . 4.750 3.766 3.595 3.991 . 0 0 "[ . 1 . 2]" 1 267 1 33 LEU H 1 33 LEU HG . . 4.730 3.091 2.731 3.452 . 0 0 "[ . 1 . 2]" 1 268 1 33 LEU H 1 34 LYS H . . 5.500 4.385 4.214 4.484 . 0 0 "[ . 1 . 2]" 1 269 1 33 LEU H 1 67 HIS H . . 4.630 3.917 3.291 4.301 . 0 0 "[ . 1 . 2]" 1 270 1 33 LEU H 1 68 CYS HA . . 4.240 3.601 2.735 3.898 . 0 0 "[ . 1 . 2]" 1 271 1 33 LEU HA 1 33 LEU MD2 . . 3.630 2.418 2.211 2.609 . 0 0 "[ . 1 . 2]" 1 272 1 33 LEU HA 1 34 LYS H . . 3.100 2.216 2.139 2.486 . 0 0 "[ . 1 . 2]" 1 273 1 33 LEU QB 1 33 LEU MD2 . . 3.260 2.111 2.003 2.240 . 0 0 "[ . 1 . 2]" 1 274 1 33 LEU QB 1 34 LYS H . . 3.920 2.933 2.202 3.319 . 0 0 "[ . 1 . 2]" 1 275 1 33 LEU QB 1 67 HIS H . . 5.340 4.558 4.184 4.973 . 0 0 "[ . 1 . 2]" 1 276 1 33 LEU QB 1 67 HIS HB2 . . 4.110 3.643 3.014 3.967 . 0 0 "[ . 1 . 2]" 1 277 1 33 LEU QB 1 67 HIS HB3 . . 4.990 4.649 3.681 4.961 . 0 0 "[ . 1 . 2]" 1 278 1 33 LEU HB2 1 33 LEU MD1 . . 3.390 2.069 1.988 2.243 . 0 0 "[ . 1 . 2]" 1 279 1 33 LEU HB3 1 33 LEU MD1 . . 3.390 2.612 2.524 2.681 . 0 0 "[ . 1 . 2]" 1 280 1 33 LEU MD1 1 67 HIS HB2 . . 4.640 4.357 3.725 4.641 0.001 15 0 "[ . 1 . 2]" 1 281 1 33 LEU MD1 1 68 CYS HA . . 5.330 4.809 4.175 5.282 . 0 0 "[ . 1 . 2]" 1 282 1 33 LEU MD1 1 69 VAL H . . 5.070 4.236 3.468 4.973 . 0 0 "[ . 1 . 2]" 1 283 1 33 LEU MD1 1 69 VAL HB . . 4.700 3.579 2.942 4.429 . 0 0 "[ . 1 . 2]" 1 284 1 33 LEU MD1 1 83 VAL MG2 . . 3.490 2.748 2.133 3.277 . 0 0 "[ . 1 . 2]" 1 285 1 33 LEU MD1 1 95 PHE HZ . . 5.500 4.626 3.992 5.070 . 0 0 "[ . 1 . 2]" 1 286 1 33 LEU MD2 1 34 LYS H . . 4.420 3.505 2.876 4.037 . 0 0 "[ . 1 . 2]" 1 287 1 33 LEU MD2 1 83 VAL MG2 . . 4.010 3.647 2.927 3.970 . 0 0 "[ . 1 . 2]" 1 288 1 33 LEU MD2 1 95 PHE QB . . 5.340 4.400 3.927 4.857 . 0 0 "[ . 1 . 2]" 1 289 1 33 LEU MD2 1 95 PHE QD . . 4.270 3.843 3.184 4.250 . 0 0 "[ . 1 . 2]" 1 290 1 33 LEU MD2 1 95 PHE QE . . 4.080 3.194 2.710 3.606 . 0 0 "[ . 1 . 2]" 1 291 1 33 LEU MD2 1 95 PHE HZ . . 4.910 3.340 2.610 3.826 . 0 0 "[ . 1 . 2]" 1 292 1 34 LYS H 1 34 LYS HB2 . . 3.790 2.803 2.203 3.661 . 0 0 "[ . 1 . 2]" 1 293 1 34 LYS H 1 34 LYS QB . . 3.320 2.452 2.181 2.977 . 0 0 "[ . 1 . 2]" 1 294 1 34 LYS H 1 34 LYS HB3 . . 3.790 3.161 2.385 3.726 . 0 0 "[ . 1 . 2]" 1 295 1 34 LYS H 1 34 LYS HG2 . . 4.570 3.075 1.907 4.568 . 0 0 "[ . 1 . 2]" 1 296 1 34 LYS H 1 34 LYS QG . . 4.020 2.705 1.872 3.965 . 0 0 "[ . 1 . 2]" 1 297 1 34 LYS H 1 34 LYS HG3 . . 4.570 3.536 2.318 4.356 . 0 0 "[ . 1 . 2]" 1 298 1 34 LYS HA 1 34 LYS QD . . 4.430 3.402 2.060 4.429 . 0 0 "[ . 1 . 2]" 1 299 1 34 LYS QB 1 35 ILE HA . . 5.340 4.462 4.190 4.756 . 0 0 "[ . 1 . 2]" 1 300 1 35 ILE H 1 35 ILE HB . . 4.210 2.567 2.483 2.742 . 0 0 "[ . 1 . 2]" 1 301 1 35 ILE H 1 35 ILE HG12 . . 5.020 4.004 3.465 4.310 . 0 0 "[ . 1 . 2]" 1 302 1 35 ILE H 1 35 ILE QG . . 4.320 2.623 2.025 2.975 . 0 0 "[ . 1 . 2]" 1 303 1 35 ILE H 1 35 ILE HG13 . . 5.020 2.661 2.038 3.033 . 0 0 "[ . 1 . 2]" 1 304 1 35 ILE H 1 67 HIS HD2 . . 4.360 3.763 2.844 4.363 0.003 18 0 "[ . 1 . 2]" 1 305 1 35 ILE HA 1 35 ILE MD . . 4.100 3.870 3.814 3.892 . 0 0 "[ . 1 . 2]" 1 306 1 35 ILE HA 1 35 ILE HG12 . . 4.210 2.731 2.500 2.815 . 0 0 "[ . 1 . 2]" 1 307 1 35 ILE HA 1 35 ILE QG . . 3.650 2.438 2.390 2.475 . 0 0 "[ . 1 . 2]" 1 308 1 35 ILE HA 1 35 ILE HG13 . . 4.210 2.762 2.672 3.036 . 0 0 "[ . 1 . 2]" 1 309 1 35 ILE HA 1 35 ILE MG . . 3.270 2.464 2.425 2.486 . 0 0 "[ . 1 . 2]" 1 310 1 35 ILE HA 1 36 PRO HD2 . . 3.170 2.173 2.122 2.179 . 0 0 "[ . 1 . 2]" 1 311 1 35 ILE HA 1 36 PRO HD3 . . 3.170 2.253 2.252 2.256 . 0 0 "[ . 1 . 2]" 1 312 1 35 ILE HA 1 36 PRO HG2 . . 4.660 4.331 4.290 4.335 . 0 0 "[ . 1 . 2]" 1 313 1 35 ILE HA 1 36 PRO HG3 . . 4.660 4.357 4.339 4.360 . 0 0 "[ . 1 . 2]" 1 314 1 35 ILE HB 1 35 ILE MD . . 3.060 2.203 2.099 2.355 . 0 0 "[ . 1 . 2]" 1 315 1 35 ILE HB 1 36 PRO HD2 . . 4.950 3.942 3.924 4.072 . 0 0 "[ . 1 . 2]" 1 316 1 35 ILE HB 1 36 PRO QD . . 4.190 3.784 3.768 3.894 . 0 0 "[ . 1 . 2]" 1 317 1 35 ILE HB 1 36 PRO HD3 . . 4.950 4.882 4.868 4.955 0.005 9 0 "[ . 1 . 2]" 1 318 1 35 ILE HB 1 38 ILE MD . . 5.500 5.262 4.921 5.501 0.001 7 0 "[ . 1 . 2]" 1 319 1 35 ILE HB 1 43 MET ME . . 4.390 3.351 3.021 3.666 . 0 0 "[ . 1 . 2]" 1 320 1 35 ILE HB 1 67 HIS HD2 . . 3.770 2.089 1.998 2.246 . 0 0 "[ . 1 . 2]" 1 321 1 35 ILE QG 1 35 ILE MG . . 3.060 2.123 2.074 2.264 . 0 0 "[ . 1 . 2]" 1 322 1 35 ILE QG 1 67 HIS HD2 . . 4.270 4.090 3.832 4.271 0.001 10 0 "[ . 1 . 2]" 1 323 1 35 ILE HG12 1 67 HIS HD2 . . 4.970 4.884 4.749 4.973 0.003 19 0 "[ . 1 . 2]" 1 324 1 35 ILE HG13 1 67 HIS HD2 . . 4.970 4.401 4.021 4.710 . 0 0 "[ . 1 . 2]" 1 325 1 35 ILE MG 1 36 PRO HD2 . . 3.920 1.821 1.812 1.920 . 0 0 "[ . 1 . 2]" 1 326 1 35 ILE MG 1 36 PRO QD . . 3.370 1.810 1.802 1.908 . 0 0 "[ . 1 . 2]" 1 327 1 35 ILE MG 1 36 PRO HD3 . . 3.920 3.158 3.141 3.311 . 0 0 "[ . 1 . 2]" 1 328 1 35 ILE MG 1 37 GLU H . . 4.840 4.737 4.709 4.790 . 0 0 "[ . 1 . 2]" 1 329 1 35 ILE MG 1 38 ILE H . . 4.160 3.398 3.268 3.558 . 0 0 "[ . 1 . 2]" 1 330 1 35 ILE MG 1 38 ILE HB . . 3.360 2.018 1.871 2.266 . 0 0 "[ . 1 . 2]" 1 331 1 35 ILE MG 1 38 ILE MD . . 3.510 2.556 2.258 2.803 . 0 0 "[ . 1 . 2]" 1 332 1 35 ILE MG 1 38 ILE MG . . 3.850 2.531 2.315 2.899 . 0 0 "[ . 1 . 2]" 1 333 1 35 ILE MG 1 43 MET ME . . 3.460 2.109 1.891 2.722 . 0 0 "[ . 1 . 2]" 1 334 1 35 ILE MG 1 67 HIS HD2 . . 4.810 3.030 2.520 3.495 . 0 0 "[ . 1 . 2]" 1 335 1 36 PRO HA 1 37 GLU H . . 2.970 2.698 2.624 2.726 . 0 0 "[ . 1 . 2]" 1 336 1 36 PRO HA 1 37 GLU HA . . 4.550 4.340 4.332 4.347 . 0 0 "[ . 1 . 2]" 1 337 1 36 PRO HA 1 38 ILE H . . 4.340 4.171 4.119 4.241 . 0 0 "[ . 1 . 2]" 1 338 1 36 PRO HA 1 65 ASN HB2 . . 4.290 2.868 2.046 4.127 . 0 0 "[ . 1 . 2]" 1 339 1 36 PRO HA 1 65 ASN QB . . 3.550 2.381 2.024 2.859 . 0 0 "[ . 1 . 2]" 1 340 1 36 PRO HA 1 65 ASN HB3 . . 4.290 3.121 2.289 4.277 . 0 0 "[ . 1 . 2]" 1 341 1 36 PRO HA 1 65 ASN QD . . 5.070 3.699 2.181 4.772 . 0 0 "[ . 1 . 2]" 1 342 1 36 PRO QB 1 37 GLU H . . 3.590 1.937 1.886 2.077 . 0 0 "[ . 1 . 2]" 1 343 1 36 PRO QB 1 65 ASN QB . . 4.210 3.987 3.727 4.211 0.001 11 0 "[ . 1 . 2]" 1 344 1 36 PRO HB2 1 37 GLU H . . 4.090 1.955 1.900 2.103 . 0 0 "[ . 1 . 2]" 1 345 1 36 PRO HB3 1 37 GLU H . . 4.090 3.165 3.146 3.221 . 0 0 "[ . 1 . 2]" 1 346 1 36 PRO QD 1 38 ILE H . . 4.970 4.002 3.906 4.084 . 0 0 "[ . 1 . 2]" 1 347 1 36 PRO HD2 1 38 ILE HB . . 4.780 3.038 2.963 3.173 . 0 0 "[ . 1 . 2]" 1 348 1 36 PRO HD3 1 38 ILE HB . . 4.780 4.652 4.591 4.767 . 0 0 "[ . 1 . 2]" 1 349 1 36 PRO QG 1 37 GLU H . . 4.270 3.647 3.596 3.780 . 0 0 "[ . 1 . 2]" 1 350 1 36 PRO HG2 1 37 GLU H . . 4.960 3.837 3.779 3.988 . 0 0 "[ . 1 . 2]" 1 351 1 36 PRO HG3 1 37 GLU H . . 4.960 4.558 4.509 4.689 . 0 0 "[ . 1 . 2]" 1 352 1 37 GLU H 1 37 GLU QB . . 3.580 2.358 2.124 2.495 . 0 0 "[ . 1 . 2]" 1 353 1 37 GLU H 1 37 GLU HG2 . . 4.300 2.958 2.205 4.049 . 0 0 "[ . 1 . 2]" 1 354 1 37 GLU H 1 37 GLU HG3 . . 4.300 3.277 2.141 4.324 0.024 14 0 "[ . 1 . 2]" 1 355 1 37 GLU H 1 38 ILE H . . 3.700 2.827 2.764 2.902 . 0 0 "[ . 1 . 2]" 1 356 1 37 GLU H 1 65 ASN QB . . 4.500 3.637 3.069 4.301 . 0 0 "[ . 1 . 2]" 1 357 1 37 GLU HA 1 37 GLU HG2 . . 3.950 2.992 2.172 3.843 . 0 0 "[ . 1 . 2]" 1 358 1 37 GLU HA 1 37 GLU HG3 . . 3.950 3.360 2.387 3.881 . 0 0 "[ . 1 . 2]" 1 359 1 37 GLU HA 1 38 ILE H . . 3.470 3.452 3.424 3.474 0.004 16 0 "[ . 1 . 2]" 1 360 1 37 GLU QB 1 38 ILE H . . 3.890 3.149 2.887 3.634 . 0 0 "[ . 1 . 2]" 1 361 1 37 GLU QB 1 38 ILE HA . . 4.850 4.162 3.893 4.637 . 0 0 "[ . 1 . 2]" 1 362 1 38 ILE H 1 38 ILE HB . . 3.370 2.567 2.514 2.657 . 0 0 "[ . 1 . 2]" 1 363 1 38 ILE H 1 38 ILE MD . . 4.220 3.521 3.399 3.739 . 0 0 "[ . 1 . 2]" 1 364 1 38 ILE H 1 38 ILE HG12 . . 3.640 3.490 3.332 3.640 . 0 0 "[ . 1 . 2]" 1 365 1 38 ILE H 1 38 ILE QG . . 3.170 2.127 1.956 2.212 . 0 0 "[ . 1 . 2]" 1 366 1 38 ILE H 1 38 ILE HG13 . . 3.640 2.146 1.969 2.243 . 0 0 "[ . 1 . 2]" 1 367 1 38 ILE H 1 38 ILE MG . . 3.800 3.783 3.772 3.789 . 0 0 "[ . 1 . 2]" 1 368 1 38 ILE H 1 39 ASN H . . 4.590 4.463 4.326 4.584 . 0 0 "[ . 1 . 2]" 1 369 1 38 ILE HA 1 38 ILE MD . . 4.530 3.808 3.745 3.845 . 0 0 "[ . 1 . 2]" 1 370 1 38 ILE HA 1 38 ILE HG12 . . 4.200 2.526 2.362 2.608 . 0 0 "[ . 1 . 2]" 1 371 1 38 ILE HA 1 38 ILE HG13 . . 4.200 2.775 2.652 2.935 . 0 0 "[ . 1 . 2]" 1 372 1 38 ILE HA 1 38 ILE MG . . 3.460 2.477 2.405 2.521 . 0 0 "[ . 1 . 2]" 1 373 1 38 ILE HA 1 39 ASN HA . . 5.040 4.392 4.365 4.436 . 0 0 "[ . 1 . 2]" 1 374 1 38 ILE HA 1 39 ASN QB . . 5.340 4.274 4.040 4.442 . 0 0 "[ . 1 . 2]" 1 375 1 38 ILE HB 1 38 ILE MD . . 3.670 2.280 2.200 2.412 . 0 0 "[ . 1 . 2]" 1 376 1 38 ILE HB 1 39 ASN H . . 4.950 4.330 4.148 4.480 . 0 0 "[ . 1 . 2]" 1 377 1 38 ILE MD 1 43 MET HG2 . . 4.830 4.356 3.860 4.675 . 0 0 "[ . 1 . 2]" 1 378 1 38 ILE MD 1 85 TYR HB2 . . 4.440 3.534 2.993 3.933 . 0 0 "[ . 1 . 2]" 1 379 1 38 ILE MD 1 85 TYR HB3 . . 4.440 3.930 3.346 4.442 0.002 17 0 "[ . 1 . 2]" 1 380 1 38 ILE MD 1 85 TYR QD . . 4.110 2.990 2.393 3.553 . 0 0 "[ . 1 . 2]" 1 381 1 38 ILE MD 1 85 TYR QE . . 4.340 3.209 2.380 3.888 . 0 0 "[ . 1 . 2]" 1 382 1 38 ILE MD 1 90 VAL MG1 . . 4.010 3.578 3.056 3.982 . 0 0 "[ . 1 . 2]" 1 383 1 38 ILE MG 1 39 ASN H . . 4.510 2.693 2.117 3.160 . 0 0 "[ . 1 . 2]" 1 384 1 38 ILE MG 1 39 ASN HA . . 5.210 3.922 3.626 4.231 . 0 0 "[ . 1 . 2]" 1 385 1 38 ILE MG 1 42 ASP QB . . 3.850 3.332 2.571 3.824 . 0 0 "[ . 1 . 2]" 1 386 1 38 ILE MG 1 43 MET HG2 . . 3.940 2.897 2.524 3.216 . 0 0 "[ . 1 . 2]" 1 387 1 38 ILE MG 1 43 MET HG3 . . 3.740 2.124 1.921 2.423 . 0 0 "[ . 1 . 2]" 1 388 1 38 ILE MG 1 85 TYR HA . . 5.500 4.414 4.031 4.718 . 0 0 "[ . 1 . 2]" 1 389 1 38 ILE MG 1 85 TYR HB2 . . 4.860 3.347 2.902 3.776 . 0 0 "[ . 1 . 2]" 1 390 1 38 ILE MG 1 85 TYR QB . . 4.210 3.254 2.845 3.635 . 0 0 "[ . 1 . 2]" 1 391 1 38 ILE MG 1 85 TYR HB3 . . 4.860 4.455 3.840 4.856 . 0 0 "[ . 1 . 2]" 1 392 1 38 ILE MG 1 85 TYR QD . . 4.010 2.850 2.283 3.373 . 0 0 "[ . 1 . 2]" 1 393 1 38 ILE MG 1 85 TYR QE . . 3.940 2.780 2.013 3.441 . 0 0 "[ . 1 . 2]" 1 394 1 39 ASN H 1 39 ASN QB . . 3.700 2.318 2.156 2.487 . 0 0 "[ . 1 . 2]" 1 395 1 39 ASN HA 1 39 ASN HD21 . . 4.790 3.562 2.044 4.460 . 0 0 "[ . 1 . 2]" 1 396 1 39 ASN HA 1 39 ASN QD . . 4.210 3.336 2.032 4.077 . 0 0 "[ . 1 . 2]" 1 397 1 39 ASN HA 1 39 ASN HD22 . . 4.790 4.135 3.447 4.718 . 0 0 "[ . 1 . 2]" 1 398 1 39 ASN HA 1 40 SER HA . . 5.390 4.342 4.301 4.405 . 0 0 "[ . 1 . 2]" 1 399 1 39 ASN HA 1 67 HIS HE1 . . 4.510 3.421 2.690 4.386 . 0 0 "[ . 1 . 2]" 1 400 1 39 ASN QB 1 41 SER H . . 4.060 2.743 2.246 3.032 . 0 0 "[ . 1 . 2]" 1 401 1 39 ASN QB 1 41 SER QB . . 4.760 3.377 2.975 3.876 . 0 0 "[ . 1 . 2]" 1 402 1 39 ASN QB 1 42 ASP H . . 3.340 3.103 2.373 3.331 . 0 0 "[ . 1 . 2]" 1 403 1 39 ASN HB2 1 41 SER H . . 4.680 3.979 3.456 4.665 . 0 0 "[ . 1 . 2]" 1 404 1 39 ASN HB2 1 42 ASP H . . 4.120 3.619 3.146 4.121 0.001 17 0 "[ . 1 . 2]" 1 405 1 39 ASN HB3 1 41 SER H . . 4.680 2.804 2.274 3.174 . 0 0 "[ . 1 . 2]" 1 406 1 39 ASN HB3 1 42 ASP H . . 4.120 3.555 2.388 4.055 . 0 0 "[ . 1 . 2]" 1 407 1 40 SER H 1 41 SER H . . 4.600 2.337 2.003 2.815 . 0 0 "[ . 1 . 2]" 1 408 1 40 SER H 1 67 HIS HE1 . . 4.810 3.079 1.926 3.943 . 0 0 "[ . 1 . 2]" 1 409 1 40 SER HA 1 42 ASP H . . 4.150 3.634 3.357 4.132 . 0 0 "[ . 1 . 2]" 1 410 1 40 SER HA 1 43 MET H . . 4.280 2.908 2.745 3.482 . 0 0 "[ . 1 . 2]" 1 411 1 40 SER HA 1 43 MET HB2 . . 4.400 2.260 2.060 3.169 . 0 0 "[ . 1 . 2]" 1 412 1 40 SER HA 1 43 MET HB3 . . 5.080 3.920 3.625 4.882 . 0 0 "[ . 1 . 2]" 1 413 1 40 SER HA 1 43 MET ME . . 3.760 2.185 1.877 2.680 . 0 0 "[ . 1 . 2]" 1 414 1 40 SER HA 1 43 MET HG3 . . 4.660 3.536 2.854 4.148 . 0 0 "[ . 1 . 2]" 1 415 1 40 SER HA 1 59 ILE MG . . 3.950 3.722 3.357 3.946 . 0 0 "[ . 1 . 2]" 1 416 1 40 SER HA 1 67 HIS HE1 . . 4.820 4.145 3.371 4.799 . 0 0 "[ . 1 . 2]" 1 417 1 40 SER QB 1 59 ILE MD . . 4.680 2.412 1.820 3.226 . 0 0 "[ . 1 . 2]" 1 418 1 40 SER QB 1 59 ILE MG . . 3.270 2.385 1.957 2.957 . 0 0 "[ . 1 . 2]" 1 419 1 40 SER HB2 1 41 SER H . . 4.010 3.588 2.390 4.010 0.000 9 0 "[ . 1 . 2]" 1 420 1 40 SER HB2 1 59 ILE HB . . 4.530 3.053 2.268 4.031 . 0 0 "[ . 1 . 2]" 1 421 1 40 SER HB2 1 59 ILE MG . . 3.780 2.921 2.315 3.781 0.001 17 0 "[ . 1 . 2]" 1 422 1 40 SER HB3 1 41 SER H . . 4.010 3.656 2.609 3.986 . 0 0 "[ . 1 . 2]" 1 423 1 40 SER HB3 1 59 ILE HB . . 4.530 3.391 2.620 4.353 . 0 0 "[ . 1 . 2]" 1 424 1 40 SER HB3 1 59 ILE MG . . 3.780 2.790 2.022 3.779 . 0 0 "[ . 1 . 2]" 1 425 1 41 SER H 1 41 SER HB2 . . 3.910 2.783 2.260 3.594 . 0 0 "[ . 1 . 2]" 1 426 1 41 SER H 1 41 SER QB . . 3.420 2.380 2.178 2.759 . 0 0 "[ . 1 . 2]" 1 427 1 41 SER H 1 41 SER HB3 . . 3.910 3.037 2.354 3.609 . 0 0 "[ . 1 . 2]" 1 428 1 41 SER H 1 42 ASP H . . 3.570 2.753 2.530 2.962 . 0 0 "[ . 1 . 2]" 1 429 1 41 SER H 1 43 MET H . . 5.100 4.139 3.925 4.334 . 0 0 "[ . 1 . 2]" 1 430 1 41 SER HA 1 43 MET H . . 4.790 4.400 3.902 4.754 . 0 0 "[ . 1 . 2]" 1 431 1 41 SER QB 1 42 ASP H . . 3.840 3.160 2.636 3.733 . 0 0 "[ . 1 . 2]" 1 432 1 41 SER HB2 1 42 ASP H . . 4.630 3.606 2.692 4.167 . 0 0 "[ . 1 . 2]" 1 433 1 41 SER HB3 1 42 ASP H . . 4.630 3.739 2.822 4.375 . 0 0 "[ . 1 . 2]" 1 434 1 42 ASP H 1 42 ASP HB2 . . 3.760 2.677 2.217 3.658 . 0 0 "[ . 1 . 2]" 1 435 1 42 ASP H 1 42 ASP QB . . 3.010 2.525 2.194 2.993 . 0 0 "[ . 1 . 2]" 1 436 1 42 ASP H 1 42 ASP HB3 . . 3.760 3.512 2.798 3.755 . 0 0 "[ . 1 . 2]" 1 437 1 42 ASP H 1 43 MET H . . 3.030 2.196 1.959 2.574 . 0 0 "[ . 1 . 2]" 1 438 1 42 ASP H 1 85 TYR QE . . 5.190 4.986 4.581 5.192 0.002 11 0 "[ . 1 . 2]" 1 439 1 42 ASP HA 1 85 TYR QE . . 5.240 4.880 4.341 5.239 . 0 0 "[ . 1 . 2]" 1 440 1 42 ASP QB 1 43 MET H . . 3.830 2.950 2.560 3.508 . 0 0 "[ . 1 . 2]" 1 441 1 42 ASP QB 1 43 MET HG2 . . 5.130 4.515 4.224 5.004 . 0 0 "[ . 1 . 2]" 1 442 1 42 ASP QB 1 43 MET HG3 . . 4.520 3.687 3.001 4.424 . 0 0 "[ . 1 . 2]" 1 443 1 42 ASP QB 1 85 TYR QD . . 3.710 2.887 2.254 3.603 . 0 0 "[ . 1 . 2]" 1 444 1 42 ASP QB 1 86 ARG H . . 4.920 4.145 3.305 4.805 . 0 0 "[ . 1 . 2]" 1 445 1 42 ASP QB 1 86 ARG QG . . 3.890 2.389 1.861 3.377 . 0 0 "[ . 1 . 2]" 1 446 1 42 ASP HB2 1 85 TYR QD . . 4.410 3.339 2.375 3.978 . 0 0 "[ . 1 . 2]" 1 447 1 42 ASP HB2 1 85 TYR QE . . 3.590 2.567 2.026 3.009 . 0 0 "[ . 1 . 2]" 1 448 1 42 ASP HB3 1 85 TYR QD . . 4.410 3.451 2.266 4.354 . 0 0 "[ . 1 . 2]" 1 449 1 42 ASP HB3 1 85 TYR QE . . 3.590 2.670 1.998 3.509 . 0 0 "[ . 1 . 2]" 1 450 1 43 MET H 1 43 MET HB2 . . 3.220 2.295 2.206 2.435 . 0 0 "[ . 1 . 2]" 1 451 1 43 MET H 1 43 MET HB3 . . 3.720 3.558 3.503 3.644 . 0 0 "[ . 1 . 2]" 1 452 1 43 MET H 1 43 MET ME . . 4.640 3.638 2.869 4.015 . 0 0 "[ . 1 . 2]" 1 453 1 43 MET H 1 43 MET HG2 . . 3.920 3.791 3.593 3.916 . 0 0 "[ . 1 . 2]" 1 454 1 43 MET H 1 43 MET HG3 . . 3.700 2.846 2.551 3.249 . 0 0 "[ . 1 . 2]" 1 455 1 43 MET H 1 44 SER H . . 4.610 4.568 4.524 4.617 0.007 8 0 "[ . 1 . 2]" 1 456 1 43 MET H 1 59 ILE MD . . 4.480 4.352 4.224 4.480 . 0 0 "[ . 1 . 2]" 1 457 1 43 MET HA 1 43 MET HG2 . . 3.830 2.350 2.185 2.572 . 0 0 "[ . 1 . 2]" 1 458 1 43 MET HA 1 43 MET HG3 . . 4.070 3.026 2.846 3.157 . 0 0 "[ . 1 . 2]" 1 459 1 43 MET HA 1 44 SER H . . 2.940 2.482 2.334 2.601 . 0 0 "[ . 1 . 2]" 1 460 1 43 MET HA 1 59 ILE MD . . 5.080 4.850 4.609 5.076 . 0 0 "[ . 1 . 2]" 1 461 1 43 MET HA 1 85 TYR HA . . 3.920 2.479 2.158 2.852 . 0 0 "[ . 1 . 2]" 1 462 1 43 MET HA 1 85 TYR QB . . 4.660 3.850 3.280 4.547 . 0 0 "[ . 1 . 2]" 1 463 1 43 MET HA 1 85 TYR QD . . 4.260 3.102 2.761 3.439 . 0 0 "[ . 1 . 2]" 1 464 1 43 MET HA 1 86 ARG H . . 4.640 3.330 2.761 4.141 . 0 0 "[ . 1 . 2]" 1 465 1 43 MET HB2 1 43 MET ME . . 4.200 2.150 1.991 2.354 . 0 0 "[ . 1 . 2]" 1 466 1 43 MET HB2 1 43 MET HG3 . . 2.950 2.373 2.287 2.502 . 0 0 "[ . 1 . 2]" 1 467 1 43 MET HB2 1 44 SER H . . 3.960 3.648 3.444 3.922 . 0 0 "[ . 1 . 2]" 1 468 1 43 MET HB2 1 59 ILE MD . . 3.330 2.978 2.693 3.259 . 0 0 "[ . 1 . 2]" 1 469 1 43 MET HB2 1 59 ILE MG . . 4.610 4.502 4.219 4.608 . 0 0 "[ . 1 . 2]" 1 470 1 43 MET HB2 1 83 VAL MG1 . . 5.340 4.861 4.302 5.339 . 0 0 "[ . 1 . 2]" 1 471 1 43 MET HB3 1 43 MET ME . . 4.160 2.860 2.317 3.256 . 0 0 "[ . 1 . 2]" 1 472 1 43 MET HB3 1 44 SER H . . 3.490 2.276 2.035 2.615 . 0 0 "[ . 1 . 2]" 1 473 1 43 MET HB3 1 59 ILE MD . . 3.840 3.111 2.729 3.549 . 0 0 "[ . 1 . 2]" 1 474 1 43 MET HB3 1 83 VAL MG1 . . 4.010 3.490 3.041 3.946 . 0 0 "[ . 1 . 2]" 1 475 1 43 MET ME 1 59 ILE MG . . 3.830 3.059 2.378 3.450 . 0 0 "[ . 1 . 2]" 1 476 1 43 MET ME 1 67 HIS HB2 . . 4.770 3.683 3.165 4.232 . 0 0 "[ . 1 . 2]" 1 477 1 43 MET ME 1 67 HIS HB3 . . 4.680 3.822 3.233 4.420 . 0 0 "[ . 1 . 2]" 1 478 1 43 MET ME 1 67 HIS HE1 . . 4.620 3.816 3.036 4.467 . 0 0 "[ . 1 . 2]" 1 479 1 43 MET HG2 1 44 SER H . . 4.240 3.661 3.463 3.897 . 0 0 "[ . 1 . 2]" 1 480 1 43 MET HG2 1 85 TYR HA . . 4.800 2.789 2.206 3.628 . 0 0 "[ . 1 . 2]" 1 481 1 43 MET HG2 1 85 TYR HB2 . . 4.560 2.545 2.278 3.006 . 0 0 "[ . 1 . 2]" 1 482 1 43 MET HG2 1 85 TYR QB . . 3.830 2.524 2.264 2.958 . 0 0 "[ . 1 . 2]" 1 483 1 43 MET HG2 1 85 TYR HB3 . . 4.560 4.223 3.964 4.549 . 0 0 "[ . 1 . 2]" 1 484 1 43 MET HG2 1 85 TYR QD . . 4.110 2.744 2.000 3.295 . 0 0 "[ . 1 . 2]" 1 485 1 43 MET HG3 1 44 SER H . . 5.060 4.674 4.529 4.856 . 0 0 "[ . 1 . 2]" 1 486 1 43 MET HG3 1 59 ILE MD . . 5.180 4.817 4.411 5.142 . 0 0 "[ . 1 . 2]" 1 487 1 43 MET HG3 1 85 TYR HA . . 5.020 4.052 3.511 4.771 . 0 0 "[ . 1 . 2]" 1 488 1 43 MET HG3 1 85 TYR QB . . 4.390 3.763 3.363 4.315 . 0 0 "[ . 1 . 2]" 1 489 1 43 MET HG3 1 85 TYR QD . . 4.240 2.954 2.277 3.840 . 0 0 "[ . 1 . 2]" 1 490 1 44 SER H 1 44 SER HB2 . . 3.980 3.412 2.754 3.974 . 0 0 "[ . 1 . 2]" 1 491 1 44 SER H 1 44 SER QB . . 3.480 2.951 2.653 3.340 . 0 0 "[ . 1 . 2]" 1 492 1 44 SER H 1 44 SER HB3 . . 3.980 3.505 2.907 3.939 . 0 0 "[ . 1 . 2]" 1 493 1 44 SER H 1 45 ALA H . . 4.480 4.123 3.906 4.438 . 0 0 "[ . 1 . 2]" 1 494 1 44 SER H 1 59 ILE MD . . 4.150 3.962 3.723 4.151 0.001 10 0 "[ . 1 . 2]" 1 495 1 44 SER H 1 83 VAL HA . . 4.470 4.196 3.933 4.458 . 0 0 "[ . 1 . 2]" 1 496 1 44 SER H 1 83 VAL MG1 . . 4.330 3.489 3.192 3.754 . 0 0 "[ . 1 . 2]" 1 497 1 44 SER H 1 84 LYS HB2 . . 4.860 4.631 4.154 4.848 . 0 0 "[ . 1 . 2]" 1 498 1 44 SER H 1 85 TYR HA . . 4.370 3.958 3.644 4.225 . 0 0 "[ . 1 . 2]" 1 499 1 44 SER HA 1 45 ALA H . . 3.150 2.169 2.138 2.396 . 0 0 "[ . 1 . 2]" 1 500 1 44 SER HA 1 45 ALA MB . . 4.180 3.937 3.807 4.033 . 0 0 "[ . 1 . 2]" 1 501 1 44 SER QB 1 45 ALA H . . 3.570 3.287 2.919 3.423 . 0 0 "[ . 1 . 2]" 1 502 1 44 SER QB 1 46 HIS HE1 . . 3.600 2.345 1.998 3.577 . 0 0 "[ . 1 . 2]" 1 503 1 44 SER QB 1 59 ILE MD . . 4.960 4.820 4.568 4.959 . 0 0 "[ . 1 . 2]" 1 504 1 44 SER QB 1 84 LYS HB2 . . 4.830 3.913 3.045 4.537 . 0 0 "[ . 1 . 2]" 1 505 1 44 SER HB2 1 45 ALA H . . 4.410 3.843 2.986 4.401 . 0 0 "[ . 1 . 2]" 1 506 1 44 SER HB2 1 46 HIS HE1 . . 4.120 3.110 2.060 4.108 . 0 0 "[ . 1 . 2]" 1 507 1 44 SER HB2 1 84 LYS H . . 5.240 4.297 3.098 5.113 . 0 0 "[ . 1 . 2]" 1 508 1 44 SER HB2 1 84 LYS HB2 . . 5.500 4.392 3.116 5.413 . 0 0 "[ . 1 . 2]" 1 509 1 44 SER HB3 1 45 ALA H . . 4.410 3.863 3.143 4.396 . 0 0 "[ . 1 . 2]" 1 510 1 44 SER HB3 1 46 HIS HE1 . . 4.120 3.110 2.005 4.118 . 0 0 "[ . 1 . 2]" 1 511 1 44 SER HB3 1 84 LYS H . . 5.240 4.648 3.367 5.171 . 0 0 "[ . 1 . 2]" 1 512 1 44 SER HB3 1 84 LYS HB2 . . 5.500 4.728 3.780 5.438 . 0 0 "[ . 1 . 2]" 1 513 1 45 ALA H 1 45 ALA MB . . 3.350 2.419 2.316 2.673 . 0 0 "[ . 1 . 2]" 1 514 1 45 ALA H 1 59 ILE MD . . 3.980 3.173 2.669 3.877 . 0 0 "[ . 1 . 2]" 1 515 1 45 ALA HA 1 46 HIS H . . 2.680 2.158 2.142 2.205 . 0 0 "[ . 1 . 2]" 1 516 1 45 ALA HA 1 81 VAL MG1 . . 4.430 3.736 3.453 3.958 . 0 0 "[ . 1 . 2]" 1 517 1 45 ALA HA 1 83 VAL HA . . 3.490 2.913 2.624 3.204 . 0 0 "[ . 1 . 2]" 1 518 1 45 ALA HA 1 83 VAL MG1 . . 4.530 3.695 3.290 4.109 . 0 0 "[ . 1 . 2]" 1 519 1 45 ALA HA 1 83 VAL MG2 . . 4.050 3.007 2.364 3.398 . 0 0 "[ . 1 . 2]" 1 520 1 45 ALA HA 1 84 LYS H . . 4.420 4.267 4.017 4.414 . 0 0 "[ . 1 . 2]" 1 521 1 45 ALA MB 1 46 HIS H . . 3.340 3.119 2.951 3.277 . 0 0 "[ . 1 . 2]" 1 522 1 45 ALA MB 1 57 ALA H . . 4.150 3.537 3.185 3.982 . 0 0 "[ . 1 . 2]" 1 523 1 45 ALA MB 1 59 ILE H . . 5.500 5.005 4.616 5.243 . 0 0 "[ . 1 . 2]" 1 524 1 45 ALA MB 1 59 ILE HB . . 5.300 5.094 4.686 5.288 . 0 0 "[ . 1 . 2]" 1 525 1 45 ALA MB 1 59 ILE MD . . 3.010 2.591 2.323 2.917 . 0 0 "[ . 1 . 2]" 1 526 1 45 ALA MB 1 59 ILE HG12 . . 3.260 3.044 2.870 3.261 0.001 7 0 "[ . 1 . 2]" 1 527 1 45 ALA MB 1 59 ILE HG13 . . 3.810 3.052 2.665 3.341 . 0 0 "[ . 1 . 2]" 1 528 1 46 HIS H 1 46 HIS HB2 . . 3.460 2.842 2.655 2.949 . 0 0 "[ . 1 . 2]" 1 529 1 46 HIS H 1 46 HIS HB3 . . 4.050 3.890 3.783 3.952 . 0 0 "[ . 1 . 2]" 1 530 1 46 HIS H 1 47 VAL H . . 4.420 4.215 4.078 4.415 . 0 0 "[ . 1 . 2]" 1 531 1 46 HIS H 1 47 VAL MG2 . . 4.710 4.395 4.278 4.554 . 0 0 "[ . 1 . 2]" 1 532 1 46 HIS H 1 54 VAL MG1 . . 5.500 5.238 4.789 5.483 . 0 0 "[ . 1 . 2]" 1 533 1 46 HIS H 1 81 VAL MG1 . . 4.060 3.180 2.665 3.552 . 0 0 "[ . 1 . 2]" 1 534 1 46 HIS H 1 82 SER H . . 3.650 3.195 2.808 3.612 . 0 0 "[ . 1 . 2]" 1 535 1 46 HIS H 1 82 SER QB . . 3.890 3.483 2.667 3.873 . 0 0 "[ . 1 . 2]" 1 536 1 46 HIS H 1 83 VAL HA . . 4.450 4.014 3.649 4.336 . 0 0 "[ . 1 . 2]" 1 537 1 46 HIS H 1 83 VAL MG1 . . 5.500 5.193 4.776 5.500 0.000 15 0 "[ . 1 . 2]" 1 538 1 46 HIS H 1 83 VAL MG2 . . 4.290 3.699 3.078 4.032 . 0 0 "[ . 1 . 2]" 1 539 1 46 HIS HA 1 46 HIS HD2 . . 4.660 3.577 3.050 3.969 . 0 0 "[ . 1 . 2]" 1 540 1 46 HIS HA 1 47 VAL H . . 2.840 2.174 2.143 2.256 . 0 0 "[ . 1 . 2]" 1 541 1 46 HIS HA 1 47 VAL HB . . 4.680 4.620 4.521 4.672 . 0 0 "[ . 1 . 2]" 1 542 1 46 HIS HA 1 47 VAL MG2 . . 4.270 3.648 3.429 3.781 . 0 0 "[ . 1 . 2]" 1 543 1 46 HIS HA 1 54 VAL MG1 . . 4.760 4.069 3.784 4.330 . 0 0 "[ . 1 . 2]" 1 544 1 46 HIS HA 1 56 GLU HA . . 3.360 2.628 2.355 2.944 . 0 0 "[ . 1 . 2]" 1 545 1 46 HIS HA 1 57 ALA H . . 3.440 2.944 2.327 3.225 . 0 0 "[ . 1 . 2]" 1 546 1 46 HIS HA 1 57 ALA MB . . 4.410 3.236 2.950 3.617 . 0 0 "[ . 1 . 2]" 1 547 1 46 HIS HB2 1 47 VAL H . . 4.290 4.173 3.936 4.270 . 0 0 "[ . 1 . 2]" 1 548 1 46 HIS HB2 1 54 VAL MG1 . . 3.650 3.174 2.697 3.499 . 0 0 "[ . 1 . 2]" 1 549 1 46 HIS HB2 1 56 GLU HA . . 4.860 4.682 4.336 4.842 . 0 0 "[ . 1 . 2]" 1 550 1 46 HIS HB2 1 82 SER HB2 . . 4.720 3.237 2.387 4.557 . 0 0 "[ . 1 . 2]" 1 551 1 46 HIS HB2 1 82 SER QB . . 4.050 2.885 2.359 3.739 . 0 0 "[ . 1 . 2]" 1 552 1 46 HIS HB2 1 82 SER HB3 . . 4.720 3.918 2.734 4.718 . 0 0 "[ . 1 . 2]" 1 553 1 46 HIS HB3 1 47 VAL H . . 3.680 3.190 2.832 3.390 . 0 0 "[ . 1 . 2]" 1 554 1 46 HIS HB3 1 54 VAL MG1 . . 3.410 2.214 2.004 2.504 . 0 0 "[ . 1 . 2]" 1 555 1 46 HIS HB3 1 56 GLU HA . . 4.670 3.600 3.176 3.897 . 0 0 "[ . 1 . 2]" 1 556 1 46 HIS HD2 1 54 VAL MG1 . . 3.570 3.010 2.503 3.470 . 0 0 "[ . 1 . 2]" 1 557 1 46 HIS HD2 1 56 GLU H . . 4.610 4.205 3.749 4.576 . 0 0 "[ . 1 . 2]" 1 558 1 46 HIS HD2 1 56 GLU HA . . 4.130 2.433 2.000 3.008 . 0 0 "[ . 1 . 2]" 1 559 1 46 HIS HD2 1 56 GLU QB . . 4.640 2.805 2.330 3.464 . 0 0 "[ . 1 . 2]" 1 560 1 47 VAL H 1 47 VAL HB . . 3.270 2.510 2.423 2.577 . 0 0 "[ . 1 . 2]" 1 561 1 47 VAL H 1 47 VAL MG1 . . 3.840 3.788 3.750 3.826 . 0 0 "[ . 1 . 2]" 1 562 1 47 VAL H 1 47 VAL MG2 . . 3.490 2.505 2.287 2.736 . 0 0 "[ . 1 . 2]" 1 563 1 47 VAL H 1 54 VAL MG1 . . 4.210 3.835 3.318 4.221 0.011 17 0 "[ . 1 . 2]" 1 564 1 47 VAL H 1 55 THR H . . 3.620 3.309 2.935 3.524 . 0 0 "[ . 1 . 2]" 1 565 1 47 VAL H 1 55 THR HB . . 4.860 3.409 2.511 4.521 . 0 0 "[ . 1 . 2]" 1 566 1 47 VAL H 1 56 GLU HA . . 4.100 3.778 3.485 4.066 . 0 0 "[ . 1 . 2]" 1 567 1 47 VAL H 1 57 ALA H . . 4.670 4.405 3.853 4.665 . 0 0 "[ . 1 . 2]" 1 568 1 47 VAL H 1 57 ALA MB . . 4.380 3.732 3.445 3.952 . 0 0 "[ . 1 . 2]" 1 569 1 47 VAL HA 1 47 VAL MG1 . . 3.540 2.363 2.287 2.476 . 0 0 "[ . 1 . 2]" 1 570 1 47 VAL HA 1 47 VAL MG2 . . 3.590 2.347 2.264 2.436 . 0 0 "[ . 1 . 2]" 1 571 1 47 VAL HA 1 48 THR H . . 3.010 2.156 2.139 2.196 . 0 0 "[ . 1 . 2]" 1 572 1 47 VAL HA 1 81 VAL MG2 . . 3.790 3.460 3.252 3.779 . 0 0 "[ . 1 . 2]" 1 573 1 47 VAL HB 1 48 THR H . . 4.540 4.334 4.060 4.461 . 0 0 "[ . 1 . 2]" 1 574 1 47 VAL HB 1 55 THR H . . 4.060 3.724 3.432 4.058 . 0 0 "[ . 1 . 2]" 1 575 1 47 VAL HB 1 55 THR HB . . 4.310 2.978 2.001 4.267 . 0 0 "[ . 1 . 2]" 1 576 1 47 VAL MG1 1 48 THR H . . 3.410 2.889 2.307 3.183 . 0 0 "[ . 1 . 2]" 1 577 1 47 VAL MG1 1 49 SER HA . . 4.630 4.038 3.699 4.210 . 0 0 "[ . 1 . 2]" 1 578 1 47 VAL MG1 1 55 THR HB . . 5.470 4.298 3.439 5.370 . 0 0 "[ . 1 . 2]" 1 579 1 47 VAL MG1 1 71 PHE QD . . 4.580 3.979 3.121 4.582 0.002 18 0 "[ . 1 . 2]" 1 580 1 47 VAL MG1 1 71 PHE QE . . 4.220 3.457 2.674 4.139 . 0 0 "[ . 1 . 2]" 1 581 1 47 VAL MG1 1 79 HIS HB2 . . 4.810 4.377 3.772 4.793 . 0 0 "[ . 1 . 2]" 1 582 1 47 VAL MG1 1 79 HIS HB3 . . 3.700 2.945 2.415 3.289 . 0 0 "[ . 1 . 2]" 1 583 1 47 VAL MG1 1 79 HIS HD2 . . 3.520 3.273 2.909 3.497 . 0 0 "[ . 1 . 2]" 1 584 1 47 VAL MG1 1 80 THR H . . 4.320 3.067 2.628 3.540 . 0 0 "[ . 1 . 2]" 1 585 1 47 VAL MG1 1 97 PHE QE . . 4.780 3.871 3.393 4.643 . 0 0 "[ . 1 . 2]" 1 586 1 47 VAL MG1 1 97 PHE HZ . . 4.510 3.717 3.152 4.490 . 0 0 "[ . 1 . 2]" 1 587 1 47 VAL MG2 1 48 THR H . . 4.360 4.119 3.919 4.224 . 0 0 "[ . 1 . 2]" 1 588 1 47 VAL MG2 1 55 THR HB . . 4.940 3.953 2.898 4.916 . 0 0 "[ . 1 . 2]" 1 589 1 47 VAL MG2 1 57 ALA H . . 5.430 4.826 4.388 5.122 . 0 0 "[ . 1 . 2]" 1 590 1 47 VAL MG2 1 57 ALA MB . . 3.130 2.797 2.524 3.080 . 0 0 "[ . 1 . 2]" 1 591 1 47 VAL MG2 1 71 PHE QB . . 3.710 3.253 2.774 3.707 . 0 0 "[ . 1 . 2]" 1 592 1 47 VAL MG2 1 71 PHE QD . . 4.030 2.803 2.073 3.365 . 0 0 "[ . 1 . 2]" 1 593 1 47 VAL MG2 1 71 PHE QE . . 4.630 2.656 2.116 3.184 . 0 0 "[ . 1 . 2]" 1 594 1 47 VAL MG2 1 71 PHE HZ . . 4.880 3.380 2.997 3.740 . 0 0 "[ . 1 . 2]" 1 595 1 47 VAL MG2 1 79 HIS HD2 . . 4.940 4.778 4.431 4.936 . 0 0 "[ . 1 . 2]" 1 596 1 47 VAL MG2 1 81 VAL MG2 . . 3.060 2.601 1.958 2.935 . 0 0 "[ . 1 . 2]" 1 597 1 47 VAL MG2 1 97 PHE QE . . 5.290 4.067 3.589 4.581 . 0 0 "[ . 1 . 2]" 1 598 1 47 VAL MG2 1 97 PHE HZ . . 5.500 4.077 3.705 4.831 . 0 0 "[ . 1 . 2]" 1 599 1 48 THR H 1 48 THR HB . . 3.300 2.586 2.407 2.766 . 0 0 "[ . 1 . 2]" 1 600 1 48 THR H 1 48 THR MG . . 4.050 3.792 3.745 3.847 . 0 0 "[ . 1 . 2]" 1 601 1 48 THR H 1 49 SER H . . 4.600 4.545 4.394 4.622 0.022 5 0 "[ . 1 . 2]" 1 602 1 48 THR H 1 80 THR H . . 3.950 3.654 3.346 3.889 . 0 0 "[ . 1 . 2]" 1 603 1 48 THR H 1 80 THR HB . . 4.370 3.653 3.088 3.923 . 0 0 "[ . 1 . 2]" 1 604 1 48 THR H 1 81 VAL MG2 . . 4.990 4.556 4.259 4.726 . 0 0 "[ . 1 . 2]" 1 605 1 48 THR HA 1 48 THR MG . . 3.330 2.321 2.133 2.437 . 0 0 "[ . 1 . 2]" 1 606 1 48 THR HA 1 49 SER H . . 2.780 2.227 2.142 2.357 . 0 0 "[ . 1 . 2]" 1 607 1 48 THR HA 1 54 VAL MG2 . . 3.510 2.771 2.343 3.154 . 0 0 "[ . 1 . 2]" 1 608 1 48 THR HA 1 55 THR H . . 3.600 3.345 2.844 3.598 . 0 0 "[ . 1 . 2]" 1 609 1 48 THR HB 1 49 SER H . . 4.270 3.927 3.597 4.258 . 0 0 "[ . 1 . 2]" 1 610 1 48 THR HB 1 80 THR H . . 4.330 3.960 3.508 4.334 0.004 17 0 "[ . 1 . 2]" 1 611 1 48 THR MG 1 49 SER H . . 3.490 2.183 1.894 2.847 . 0 0 "[ . 1 . 2]" 1 612 1 48 THR MG 1 52 GLY H . . 4.230 4.009 3.781 4.244 0.014 17 0 "[ . 1 . 2]" 1 613 1 48 THR MG 1 52 GLY HA2 . . 3.820 3.747 3.471 3.823 0.003 17 0 "[ . 1 . 2]" 1 614 1 48 THR MG 1 53 ARG H . . 4.830 4.256 3.218 4.831 0.001 18 0 "[ . 1 . 2]" 1 615 1 49 SER H 1 49 SER QB . . 3.330 2.503 2.252 2.790 . 0 0 "[ . 1 . 2]" 1 616 1 49 SER H 1 52 GLY H . . 4.790 3.956 3.731 4.506 . 0 0 "[ . 1 . 2]" 1 617 1 49 SER H 1 53 ARG H . . 4.300 3.722 2.938 4.279 . 0 0 "[ . 1 . 2]" 1 618 1 49 SER H 1 53 ARG HB2 . . 4.880 4.202 3.513 4.729 . 0 0 "[ . 1 . 2]" 1 619 1 49 SER H 1 53 ARG HB3 . . 4.880 4.580 3.949 4.873 . 0 0 "[ . 1 . 2]" 1 620 1 49 SER H 1 54 VAL HA . . 3.930 3.228 2.832 3.606 . 0 0 "[ . 1 . 2]" 1 621 1 49 SER H 1 54 VAL MG2 . . 4.570 3.513 2.902 4.155 . 0 0 "[ . 1 . 2]" 1 622 1 49 SER HA 1 50 PRO HD2 . . 3.660 2.398 2.349 2.449 . 0 0 "[ . 1 . 2]" 1 623 1 49 SER HA 1 50 PRO HD3 . . 3.200 2.297 2.279 2.317 . 0 0 "[ . 1 . 2]" 1 624 1 49 SER HA 1 50 PRO HG2 . . 4.910 4.510 4.470 4.552 . 0 0 "[ . 1 . 2]" 1 625 1 49 SER HA 1 50 PRO HG3 . . 4.590 4.469 4.440 4.500 . 0 0 "[ . 1 . 2]" 1 626 1 49 SER HA 1 75 GLU QG . . 4.770 2.433 1.952 3.041 . 0 0 "[ . 1 . 2]" 1 627 1 49 SER HA 1 80 THR H . . 4.620 4.319 3.873 4.562 . 0 0 "[ . 1 . 2]" 1 628 1 49 SER QB 1 50 PRO HD2 . . 3.280 2.007 1.957 2.079 . 0 0 "[ . 1 . 2]" 1 629 1 49 SER QB 1 50 PRO HD3 . . 3.570 3.337 3.249 3.439 . 0 0 "[ . 1 . 2]" 1 630 1 49 SER QB 1 51 SER H . . 3.410 2.620 2.305 3.106 . 0 0 "[ . 1 . 2]" 1 631 1 49 SER QB 1 51 SER HG . . 4.230 3.149 2.376 4.202 . 0 0 "[ . 1 . 2]" 1 632 1 49 SER QB 1 52 GLY H . . 4.140 3.124 2.411 3.957 . 0 0 "[ . 1 . 2]" 1 633 1 49 SER QB 1 53 ARG H . . 4.070 2.861 2.005 3.661 . 0 0 "[ . 1 . 2]" 1 634 1 49 SER QB 1 53 ARG QB . . 3.720 2.561 2.091 3.136 . 0 0 "[ . 1 . 2]" 1 635 1 49 SER QB 1 75 GLU QB . . 4.910 3.535 2.668 4.665 . 0 0 "[ . 1 . 2]" 1 636 1 49 SER QB 1 75 GLU QG . . 4.250 2.758 1.902 3.850 . 0 0 "[ . 1 . 2]" 1 637 1 49 SER HB2 1 50 PRO HD2 . . 3.810 2.828 1.968 3.669 . 0 0 "[ . 1 . 2]" 1 638 1 49 SER HB2 1 52 GLY H . . 4.880 3.333 2.431 4.427 . 0 0 "[ . 1 . 2]" 1 639 1 49 SER HB2 1 53 ARG H . . 4.830 3.186 2.013 4.436 . 0 0 "[ . 1 . 2]" 1 640 1 49 SER HB2 1 53 ARG HB2 . . 5.210 3.062 2.129 4.055 . 0 0 "[ . 1 . 2]" 1 641 1 49 SER HB2 1 53 ARG HB3 . . 5.210 4.255 3.422 5.221 0.011 10 0 "[ . 1 . 2]" 1 642 1 49 SER HB3 1 50 PRO HD2 . . 3.810 2.718 1.997 3.624 . 0 0 "[ . 1 . 2]" 1 643 1 49 SER HB3 1 52 GLY H . . 4.880 3.974 3.295 4.586 . 0 0 "[ . 1 . 2]" 1 644 1 49 SER HB3 1 53 ARG H . . 4.830 3.774 3.189 4.312 . 0 0 "[ . 1 . 2]" 1 645 1 49 SER HB3 1 53 ARG HB2 . . 5.210 3.283 2.590 3.920 . 0 0 "[ . 1 . 2]" 1 646 1 49 SER HB3 1 53 ARG HB3 . . 5.210 4.284 3.413 5.096 . 0 0 "[ . 1 . 2]" 1 647 1 50 PRO QB 1 51 SER H . . 3.800 3.693 3.596 3.749 . 0 0 "[ . 1 . 2]" 1 648 1 50 PRO QB 1 77 GLY HA3 . . 4.430 2.978 2.540 3.342 . 0 0 "[ . 1 . 2]" 1 649 1 50 PRO QB 1 78 VAL H . . 4.380 2.447 1.888 2.888 . 0 0 "[ . 1 . 2]" 1 650 1 50 PRO HB2 1 51 SER H . . 4.620 3.931 3.809 4.001 . 0 0 "[ . 1 . 2]" 1 651 1 50 PRO HB3 1 51 SER H . . 4.620 4.485 4.416 4.525 . 0 0 "[ . 1 . 2]" 1 652 1 50 PRO HD2 1 51 SER H . . 4.080 2.987 2.851 3.080 . 0 0 "[ . 1 . 2]" 1 653 1 50 PRO HD2 1 75 GLU HB2 . . 4.470 3.716 3.214 4.299 . 0 0 "[ . 1 . 2]" 1 654 1 50 PRO HD2 1 75 GLU QB . . 3.900 2.501 1.981 3.757 . 0 0 "[ . 1 . 2]" 1 655 1 50 PRO HD2 1 75 GLU HB3 . . 4.470 2.591 1.999 4.152 . 0 0 "[ . 1 . 2]" 1 656 1 50 PRO HD2 1 75 GLU HG2 . . 4.910 2.956 1.995 4.537 . 0 0 "[ . 1 . 2]" 1 657 1 50 PRO HD2 1 75 GLU QG . . 4.300 2.428 1.861 3.359 . 0 0 "[ . 1 . 2]" 1 658 1 50 PRO HD2 1 75 GLU HG3 . . 4.910 2.885 2.146 4.421 . 0 0 "[ . 1 . 2]" 1 659 1 50 PRO HD3 1 75 GLU QB . . 4.720 2.816 2.250 3.599 . 0 0 "[ . 1 . 2]" 1 660 1 50 PRO HD3 1 75 GLU QG . . 3.620 2.490 1.958 3.531 . 0 0 "[ . 1 . 2]" 1 661 1 50 PRO HD3 1 79 HIS HA . . 4.390 3.346 2.945 3.641 . 0 0 "[ . 1 . 2]" 1 662 1 50 PRO HD3 1 79 HIS HE1 . . 5.500 5.395 5.114 5.506 0.006 10 0 "[ . 1 . 2]" 1 663 1 50 PRO HG2 1 51 SER H . . 4.770 3.285 3.064 3.418 . 0 0 "[ . 1 . 2]" 1 664 1 50 PRO HG2 1 51 SER HB3 . . 3.980 3.796 3.632 3.947 . 0 0 "[ . 1 . 2]" 1 665 1 50 PRO HG2 1 77 GLY HA2 . . 4.760 4.710 4.530 4.762 0.002 3 0 "[ . 1 . 2]" 1 666 1 50 PRO HG2 1 78 VAL H . . 4.370 4.076 3.801 4.363 . 0 0 "[ . 1 . 2]" 1 667 1 50 PRO HG3 1 77 GLY HA2 . . 4.890 3.699 3.576 3.846 . 0 0 "[ . 1 . 2]" 1 668 1 50 PRO HG3 1 78 VAL H . . 3.980 2.592 2.328 2.971 . 0 0 "[ . 1 . 2]" 1 669 1 50 PRO HG3 1 79 HIS HD1 . . 4.960 4.715 4.248 4.945 . 0 0 "[ . 1 . 2]" 1 670 1 51 SER H 1 51 SER HB3 . . 3.520 2.855 2.523 3.093 . 0 0 "[ . 1 . 2]" 1 671 1 51 SER H 1 51 SER HG . . 3.880 2.939 2.050 3.638 . 0 0 "[ . 1 . 2]" 1 672 1 51 SER H 1 53 ARG H . . 4.460 3.508 3.215 3.795 . 0 0 "[ . 1 . 2]" 1 673 1 51 SER HB2 1 52 GLY H . . 4.840 3.908 3.166 4.295 . 0 0 "[ . 1 . 2]" 1 674 1 51 SER HB2 1 53 ARG H . . 5.300 4.450 3.932 5.255 . 0 0 "[ . 1 . 2]" 1 675 1 51 SER HB3 1 52 GLY H . . 4.370 3.991 3.523 4.269 . 0 0 "[ . 1 . 2]" 1 676 1 51 SER HG 1 52 GLY H . . 4.920 3.125 2.250 4.166 . 0 0 "[ . 1 . 2]" 1 677 1 51 SER HG 1 53 ARG H . . 3.980 3.019 1.914 3.856 . 0 0 "[ . 1 . 2]" 1 678 1 52 GLY H 1 52 GLY HA2 . . 2.890 2.564 2.425 2.764 . 0 0 "[ . 1 . 2]" 1 679 1 52 GLY H 1 53 ARG H . . 3.050 2.057 1.780 2.453 . 0 0 "[ . 1 . 2]" 1 680 1 52 GLY H 1 53 ARG QB . . 4.400 3.811 3.332 4.040 . 0 0 "[ . 1 . 2]" 1 681 1 53 ARG H 1 53 ARG HB2 . . 3.660 2.266 2.177 2.424 . 0 0 "[ . 1 . 2]" 1 682 1 53 ARG H 1 53 ARG QB . . 2.860 2.240 2.156 2.387 . 0 0 "[ . 1 . 2]" 1 683 1 53 ARG H 1 53 ARG HB3 . . 3.660 3.527 3.482 3.612 . 0 0 "[ . 1 . 2]" 1 684 1 53 ARG H 1 53 ARG QD . . 4.480 3.497 2.182 4.458 . 0 0 "[ . 1 . 2]" 1 685 1 53 ARG H 1 53 ARG QG . . 3.580 3.263 2.775 3.571 . 0 0 "[ . 1 . 2]" 1 686 1 53 ARG H 1 54 VAL H . . 4.770 4.578 4.495 4.643 . 0 0 "[ . 1 . 2]" 1 687 1 53 ARG HA 1 53 ARG QD . . 4.130 3.480 2.028 4.081 . 0 0 "[ . 1 . 2]" 1 688 1 53 ARG HA 1 53 ARG HG2 . . 4.050 2.918 2.457 3.617 . 0 0 "[ . 1 . 2]" 1 689 1 53 ARG HA 1 53 ARG QG . . 3.540 2.312 2.174 2.554 . 0 0 "[ . 1 . 2]" 1 690 1 53 ARG HA 1 53 ARG HG3 . . 4.050 2.607 2.196 3.637 . 0 0 "[ . 1 . 2]" 1 691 1 53 ARG HA 1 54 VAL H . . 2.700 2.279 2.167 2.329 . 0 0 "[ . 1 . 2]" 1 692 1 53 ARG HA 1 54 VAL HB . . 4.590 4.549 4.462 4.588 . 0 0 "[ . 1 . 2]" 1 693 1 53 ARG HA 1 54 VAL MG2 . . 3.820 3.525 3.383 3.673 . 0 0 "[ . 1 . 2]" 1 694 1 53 ARG QB 1 53 ARG QD . . 3.480 2.253 2.056 2.645 . 0 0 "[ . 1 . 2]" 1 695 1 53 ARG QB 1 54 VAL H . . 3.720 2.788 2.643 3.191 . 0 0 "[ . 1 . 2]" 1 696 1 53 ARG QD 1 54 VAL H . . 5.160 4.647 2.513 5.161 0.001 8 0 "[ . 1 . 2]" 1 697 1 53 ARG QG 1 54 VAL H . . 4.060 3.519 3.309 4.029 . 0 0 "[ . 1 . 2]" 1 698 1 53 ARG HG2 1 54 VAL H . . 4.660 4.020 3.423 4.647 . 0 0 "[ . 1 . 2]" 1 699 1 53 ARG HG3 1 54 VAL H . . 4.660 4.195 3.514 4.662 0.002 18 0 "[ . 1 . 2]" 1 700 1 54 VAL H 1 54 VAL HB . . 3.040 2.699 2.551 2.783 . 0 0 "[ . 1 . 2]" 1 701 1 54 VAL H 1 54 VAL MG1 . . 4.050 3.871 3.802 3.912 . 0 0 "[ . 1 . 2]" 1 702 1 54 VAL H 1 54 VAL MG2 . . 3.270 2.893 2.617 3.027 . 0 0 "[ . 1 . 2]" 1 703 1 54 VAL H 1 55 THR H . . 4.910 4.357 4.172 4.504 . 0 0 "[ . 1 . 2]" 1 704 1 54 VAL HA 1 54 VAL MG1 . . 3.190 2.335 2.263 2.490 . 0 0 "[ . 1 . 2]" 1 705 1 54 VAL HA 1 54 VAL MG2 . . 3.240 2.321 2.225 2.452 . 0 0 "[ . 1 . 2]" 1 706 1 54 VAL HA 1 55 THR H . . 2.750 2.182 2.141 2.248 . 0 0 "[ . 1 . 2]" 1 707 1 54 VAL HA 1 55 THR HA . . 4.510 4.394 4.382 4.414 . 0 0 "[ . 1 . 2]" 1 708 1 54 VAL HB 1 55 THR H . . 4.450 4.084 3.876 4.355 . 0 0 "[ . 1 . 2]" 1 709 1 54 VAL MG1 1 55 THR H . . 3.310 2.304 1.915 2.736 . 0 0 "[ . 1 . 2]" 1 710 1 54 VAL MG2 1 55 THR H . . 4.010 3.951 3.853 4.010 . 0 0 "[ . 1 . 2]" 1 711 1 55 THR H 1 55 THR HB . . 3.740 3.149 2.706 3.741 0.001 16 0 "[ . 1 . 2]" 1 712 1 55 THR H 1 55 THR HG1 . . 4.960 2.842 1.927 3.725 . 0 0 "[ . 1 . 2]" 1 713 1 55 THR H 1 55 THR MG . . 3.950 3.540 2.635 3.938 . 0 0 "[ . 1 . 2]" 1 714 1 55 THR H 1 56 GLU H . . 4.750 4.495 4.436 4.551 . 0 0 "[ . 1 . 2]" 1 715 1 55 THR HA 1 55 THR MG . . 3.150 2.208 2.044 2.414 . 0 0 "[ . 1 . 2]" 1 716 1 55 THR HA 1 56 GLU H . . 3.070 2.424 2.190 2.644 . 0 0 "[ . 1 . 2]" 1 717 1 55 THR HB 1 56 GLU H . . 3.510 2.950 1.933 3.511 0.001 14 0 "[ . 1 . 2]" 1 718 1 55 THR MG 1 56 GLU H . . 3.760 2.468 1.800 3.696 . 0 0 "[ . 1 . 2]" 1 719 1 56 GLU H 1 56 GLU HB2 . . 3.460 2.921 2.546 3.270 . 0 0 "[ . 1 . 2]" 1 720 1 56 GLU H 1 56 GLU QB . . 3.010 2.406 2.292 2.499 . 0 0 "[ . 1 . 2]" 1 721 1 56 GLU H 1 56 GLU HB3 . . 3.460 2.592 2.340 2.880 . 0 0 "[ . 1 . 2]" 1 722 1 56 GLU H 1 56 GLU HG2 . . 4.780 4.488 4.245 4.723 . 0 0 "[ . 1 . 2]" 1 723 1 56 GLU H 1 56 GLU QG . . 4.190 4.040 3.936 4.129 . 0 0 "[ . 1 . 2]" 1 724 1 56 GLU H 1 56 GLU HG3 . . 4.780 4.608 4.241 4.786 0.006 18 0 "[ . 1 . 2]" 1 725 1 56 GLU H 1 57 ALA H . . 4.910 4.486 4.367 4.567 . 0 0 "[ . 1 . 2]" 1 726 1 56 GLU H 1 57 ALA MB . . 5.500 5.152 4.958 5.449 . 0 0 "[ . 1 . 2]" 1 727 1 56 GLU HA 1 56 GLU HG2 . . 3.900 3.061 2.494 3.867 . 0 0 "[ . 1 . 2]" 1 728 1 56 GLU HA 1 56 GLU HG3 . . 3.900 2.743 2.309 3.738 . 0 0 "[ . 1 . 2]" 1 729 1 56 GLU HA 1 57 ALA H . . 2.770 2.218 2.153 2.299 . 0 0 "[ . 1 . 2]" 1 730 1 56 GLU HA 1 57 ALA MB . . 4.160 3.909 3.861 3.956 . 0 0 "[ . 1 . 2]" 1 731 1 56 GLU QB 1 57 ALA H . . 3.760 3.569 3.387 3.733 . 0 0 "[ . 1 . 2]" 1 732 1 56 GLU HB2 1 57 ALA H . . 4.390 4.076 3.681 4.243 . 0 0 "[ . 1 . 2]" 1 733 1 56 GLU HB3 1 57 ALA H . . 4.390 3.966 3.582 4.280 . 0 0 "[ . 1 . 2]" 1 734 1 56 GLU HG2 1 57 ALA H . . 4.040 2.742 2.039 3.873 . 0 0 "[ . 1 . 2]" 1 735 1 56 GLU HG3 1 57 ALA H . . 4.040 3.021 2.215 3.964 . 0 0 "[ . 1 . 2]" 1 736 1 57 ALA H 1 57 ALA MB . . 3.050 2.420 2.245 2.546 . 0 0 "[ . 1 . 2]" 1 737 1 57 ALA HA 1 58 GLU H . . 3.160 2.366 2.247 2.408 . 0 0 "[ . 1 . 2]" 1 738 1 57 ALA HA 1 71 PHE QB . . 4.120 3.086 2.794 3.412 . 0 0 "[ . 1 . 2]" 1 739 1 57 ALA MB 1 58 GLU H . . 3.030 2.481 2.371 2.765 . 0 0 "[ . 1 . 2]" 1 740 1 57 ALA MB 1 59 ILE H . . 5.500 5.191 4.958 5.436 . 0 0 "[ . 1 . 2]" 1 741 1 57 ALA MB 1 69 VAL MG1 . . 2.740 2.054 1.794 2.437 . 0 0 "[ . 1 . 2]" 1 742 1 57 ALA MB 1 70 ARG H . . 4.540 4.345 4.008 4.538 . 0 0 "[ . 1 . 2]" 1 743 1 57 ALA MB 1 71 PHE QB . . 3.320 2.546 2.067 2.939 . 0 0 "[ . 1 . 2]" 1 744 1 57 ALA MB 1 71 PHE QD . . 4.060 2.585 1.977 3.441 . 0 0 "[ . 1 . 2]" 1 745 1 58 GLU H 1 58 GLU HB2 . . 3.170 2.913 2.666 3.150 . 0 0 "[ . 1 . 2]" 1 746 1 58 GLU H 1 58 GLU HB3 . . 3.170 2.559 2.454 2.703 . 0 0 "[ . 1 . 2]" 1 747 1 58 GLU H 1 58 GLU HG2 . . 5.000 4.577 4.319 4.875 . 0 0 "[ . 1 . 2]" 1 748 1 58 GLU H 1 58 GLU QG . . 4.310 4.052 3.951 4.181 . 0 0 "[ . 1 . 2]" 1 749 1 58 GLU H 1 58 GLU HG3 . . 5.000 4.545 4.294 4.847 . 0 0 "[ . 1 . 2]" 1 750 1 58 GLU H 1 59 ILE H . . 4.570 4.508 4.426 4.568 . 0 0 "[ . 1 . 2]" 1 751 1 58 GLU H 1 69 VAL MG1 . . 4.450 3.166 2.702 3.792 . 0 0 "[ . 1 . 2]" 1 752 1 58 GLU H 1 69 VAL MG2 . . 5.280 4.881 4.284 5.181 . 0 0 "[ . 1 . 2]" 1 753 1 58 GLU H 1 70 ARG H . . 4.120 3.906 3.657 4.118 . 0 0 "[ . 1 . 2]" 1 754 1 58 GLU H 1 71 PHE QB . . 4.360 3.517 3.258 4.065 . 0 0 "[ . 1 . 2]" 1 755 1 58 GLU HA 1 58 GLU HG2 . . 4.220 3.486 2.448 3.872 . 0 0 "[ . 1 . 2]" 1 756 1 58 GLU HA 1 58 GLU QG . . 3.670 2.664 2.374 3.020 . 0 0 "[ . 1 . 2]" 1 757 1 58 GLU HA 1 58 GLU HG3 . . 4.220 2.824 2.420 3.600 . 0 0 "[ . 1 . 2]" 1 758 1 58 GLU HA 1 59 ILE H . . 2.670 2.237 2.176 2.349 . 0 0 "[ . 1 . 2]" 1 759 1 58 GLU HA 1 59 ILE HB . . 4.940 4.655 4.561 4.753 . 0 0 "[ . 1 . 2]" 1 760 1 58 GLU HA 1 59 ILE HG12 . . 5.500 5.001 4.736 5.272 . 0 0 "[ . 1 . 2]" 1 761 1 58 GLU HA 1 59 ILE HG13 . . 4.460 3.483 3.293 3.705 . 0 0 "[ . 1 . 2]" 1 762 1 58 GLU HA 1 60 VAL MG2 . . 5.500 5.303 4.964 5.504 0.004 18 0 "[ . 1 . 2]" 1 763 1 58 GLU QB 1 58 GLU QG . . 2.350 2.032 1.953 2.085 . 0 0 "[ . 1 . 2]" 1 764 1 58 GLU QB 1 59 ILE H . . 3.680 3.542 3.317 3.675 . 0 0 "[ . 1 . 2]" 1 765 1 58 GLU HB2 1 59 ILE H . . 4.250 4.037 3.929 4.137 . 0 0 "[ . 1 . 2]" 1 766 1 58 GLU HB3 1 59 ILE H . . 4.250 3.930 3.564 4.183 . 0 0 "[ . 1 . 2]" 1 767 1 58 GLU QG 1 60 VAL MG2 . . 3.890 2.880 2.198 3.789 . 0 0 "[ . 1 . 2]" 1 768 1 58 GLU HG2 1 59 ILE H . . 4.070 3.423 2.208 4.072 0.002 7 0 "[ . 1 . 2]" 1 769 1 58 GLU HG2 1 60 VAL MG2 . . 4.550 3.302 2.215 4.354 . 0 0 "[ . 1 . 2]" 1 770 1 58 GLU HG3 1 59 ILE H . . 4.070 2.526 2.160 3.868 . 0 0 "[ . 1 . 2]" 1 771 1 58 GLU HG3 1 60 VAL MG2 . . 4.550 3.648 2.726 4.410 . 0 0 "[ . 1 . 2]" 1 772 1 59 ILE H 1 59 ILE HB . . 3.190 2.627 2.501 2.733 . 0 0 "[ . 1 . 2]" 1 773 1 59 ILE H 1 59 ILE MD . . 4.090 3.712 3.418 4.018 . 0 0 "[ . 1 . 2]" 1 774 1 59 ILE H 1 59 ILE HG12 . . 4.220 3.914 3.576 4.123 . 0 0 "[ . 1 . 2]" 1 775 1 59 ILE H 1 59 ILE HG13 . . 3.500 2.614 2.387 2.803 . 0 0 "[ . 1 . 2]" 1 776 1 59 ILE H 1 59 ILE MG . . 4.000 3.843 3.786 3.890 . 0 0 "[ . 1 . 2]" 1 777 1 59 ILE H 1 60 VAL H . . 4.790 4.150 3.826 4.461 . 0 0 "[ . 1 . 2]" 1 778 1 59 ILE HA 1 59 ILE MD . . 3.950 3.884 3.755 3.930 . 0 0 "[ . 1 . 2]" 1 779 1 59 ILE HA 1 59 ILE HG12 . . 4.030 2.687 2.461 2.827 . 0 0 "[ . 1 . 2]" 1 780 1 59 ILE HA 1 59 ILE HG13 . . 4.070 2.922 2.714 3.195 . 0 0 "[ . 1 . 2]" 1 781 1 59 ILE HA 1 59 ILE MG . . 3.250 2.339 2.245 2.465 . 0 0 "[ . 1 . 2]" 1 782 1 59 ILE HA 1 60 VAL H . . 3.150 2.187 2.141 2.304 . 0 0 "[ . 1 . 2]" 1 783 1 59 ILE HA 1 60 VAL HB . . 5.140 4.717 4.565 4.868 . 0 0 "[ . 1 . 2]" 1 784 1 59 ILE HA 1 60 VAL MG2 . . 4.190 3.718 3.393 4.082 . 0 0 "[ . 1 . 2]" 1 785 1 59 ILE HA 1 69 VAL HA . . 4.390 2.673 2.436 3.252 . 0 0 "[ . 1 . 2]" 1 786 1 59 ILE HA 1 69 VAL MG2 . . 4.110 2.638 2.263 3.132 . 0 0 "[ . 1 . 2]" 1 787 1 59 ILE HB 1 59 ILE MD . . 3.090 2.323 2.146 2.499 . 0 0 "[ . 1 . 2]" 1 788 1 59 ILE HB 1 60 VAL H . . 4.860 4.336 3.999 4.479 . 0 0 "[ . 1 . 2]" 1 789 1 59 ILE MD 1 67 HIS HB3 . . 4.720 4.378 3.944 4.718 . 0 0 "[ . 1 . 2]" 1 790 1 59 ILE HG13 1 59 ILE MG . . 3.630 3.182 3.138 3.200 . 0 0 "[ . 1 . 2]" 1 791 1 59 ILE HG13 1 69 VAL MG2 . . 3.790 3.201 2.677 3.784 . 0 0 "[ . 1 . 2]" 1 792 1 59 ILE MG 1 60 VAL H . . 3.700 3.068 2.390 3.460 . 0 0 "[ . 1 . 2]" 1 793 1 59 ILE MG 1 67 HIS HB2 . . 3.920 3.561 3.273 3.780 . 0 0 "[ . 1 . 2]" 1 794 1 59 ILE MG 1 67 HIS HB3 . . 3.460 2.221 1.985 2.419 . 0 0 "[ . 1 . 2]" 1 795 1 59 ILE MG 1 67 HIS HD2 . . 5.210 4.840 4.480 5.134 . 0 0 "[ . 1 . 2]" 1 796 1 59 ILE MG 1 68 CYS H . . 4.240 3.125 2.695 3.434 . 0 0 "[ . 1 . 2]" 1 797 1 60 VAL H 1 60 VAL HB . . 3.670 2.617 2.431 2.754 . 0 0 "[ . 1 . 2]" 1 798 1 60 VAL H 1 60 VAL MG1 . . 4.430 3.791 3.754 3.857 . 0 0 "[ . 1 . 2]" 1 799 1 60 VAL H 1 60 VAL MG2 . . 3.490 2.248 1.920 2.724 . 0 0 "[ . 1 . 2]" 1 800 1 60 VAL H 1 61 PRO HD2 . . 4.840 4.806 4.744 4.841 0.001 2 0 "[ . 1 . 2]" 1 801 1 60 VAL H 1 68 CYS H . . 3.980 3.467 2.894 3.908 . 0 0 "[ . 1 . 2]" 1 802 1 60 VAL H 1 68 CYS HB3 . . 4.640 3.887 3.510 4.211 . 0 0 "[ . 1 . 2]" 1 803 1 60 VAL H 1 69 VAL HA . . 4.790 3.171 2.873 3.659 . 0 0 "[ . 1 . 2]" 1 804 1 60 VAL HA 1 60 VAL MG1 . . 3.380 2.347 2.190 2.462 . 0 0 "[ . 1 . 2]" 1 805 1 60 VAL HA 1 60 VAL MG2 . . 3.360 2.430 2.279 2.526 . 0 0 "[ . 1 . 2]" 1 806 1 60 VAL HA 1 61 PRO HD2 . . 3.130 2.083 1.992 2.176 . 0 0 "[ . 1 . 2]" 1 807 1 60 VAL HA 1 61 PRO HD3 . . 3.160 2.271 2.253 2.310 . 0 0 "[ . 1 . 2]" 1 808 1 60 VAL HA 1 61 PRO HG2 . . 4.550 4.259 4.188 4.332 . 0 0 "[ . 1 . 2]" 1 809 1 60 VAL HA 1 61 PRO QG . . 3.900 3.826 3.785 3.871 . 0 0 "[ . 1 . 2]" 1 810 1 60 VAL HA 1 61 PRO HG3 . . 4.550 4.331 4.315 4.359 . 0 0 "[ . 1 . 2]" 1 811 1 60 VAL HB 1 61 PRO HD2 . . 4.300 4.048 3.821 4.266 . 0 0 "[ . 1 . 2]" 1 812 1 60 VAL HB 1 67 HIS HA . . 5.500 5.339 4.900 5.503 0.003 9 0 "[ . 1 . 2]" 1 813 1 60 VAL HB 1 68 CYS H . . 4.380 3.556 3.267 3.769 . 0 0 "[ . 1 . 2]" 1 814 1 60 VAL HB 1 68 CYS HB2 . . 4.010 3.969 3.810 4.015 0.005 18 0 "[ . 1 . 2]" 1 815 1 60 VAL HB 1 68 CYS HB3 . . 3.510 2.543 2.090 2.771 . 0 0 "[ . 1 . 2]" 1 816 1 60 VAL MG1 1 61 PRO HD2 . . 3.310 1.925 1.806 2.133 . 0 0 "[ . 1 . 2]" 1 817 1 60 VAL MG1 1 61 PRO HD3 . . 3.810 3.290 3.141 3.466 . 0 0 "[ . 1 . 2]" 1 818 1 60 VAL MG2 1 61 PRO HD2 . . 3.980 3.616 3.352 3.806 . 0 0 "[ . 1 . 2]" 1 819 1 60 VAL MG2 1 68 CYS HB2 . . 5.180 5.001 4.664 5.171 . 0 0 "[ . 1 . 2]" 1 820 1 60 VAL MG2 1 68 CYS HB3 . . 4.040 3.567 3.113 3.807 . 0 0 "[ . 1 . 2]" 1 821 1 60 VAL MG2 1 70 ARG H . . 4.380 3.447 2.988 3.878 . 0 0 "[ . 1 . 2]" 1 822 1 60 VAL MG2 1 70 ARG HB2 . . 4.850 4.107 3.035 4.827 . 0 0 "[ . 1 . 2]" 1 823 1 60 VAL MG2 1 70 ARG QB . . 4.020 3.406 2.967 3.813 . 0 0 "[ . 1 . 2]" 1 824 1 60 VAL MG2 1 70 ARG HB3 . . 4.850 4.006 3.174 4.850 . 0 0 "[ . 1 . 2]" 1 825 1 60 VAL MG2 1 70 ARG HD2 . . 4.180 2.921 2.121 4.004 . 0 0 "[ . 1 . 2]" 1 826 1 60 VAL MG2 1 70 ARG QD . . 3.560 2.402 1.968 2.943 . 0 0 "[ . 1 . 2]" 1 827 1 60 VAL MG2 1 70 ARG HD3 . . 4.180 3.127 2.061 4.134 . 0 0 "[ . 1 . 2]" 1 828 1 60 VAL MG2 1 70 ARG HE . . 4.550 3.509 1.857 4.538 . 0 0 "[ . 1 . 2]" 1 829 1 61 PRO HA 1 62 MET H . . 3.000 2.216 2.152 2.404 . 0 0 "[ . 1 . 2]" 1 830 1 61 PRO HA 1 63 GLY H . . 4.790 4.303 3.727 4.631 . 0 0 "[ . 1 . 2]" 1 831 1 61 PRO HA 1 67 HIS HA . . 4.710 3.759 3.077 4.508 . 0 0 "[ . 1 . 2]" 1 832 1 61 PRO QB 1 62 MET H . . 3.920 3.603 3.189 3.902 . 0 0 "[ . 1 . 2]" 1 833 1 61 PRO QB 1 63 GLY H . . 5.340 4.543 3.016 5.265 . 0 0 "[ . 1 . 2]" 1 834 1 61 PRO HB2 1 62 MET H . . 4.640 3.888 3.383 4.249 . 0 0 "[ . 1 . 2]" 1 835 1 61 PRO HB3 1 62 MET H . . 4.640 4.260 3.902 4.545 . 0 0 "[ . 1 . 2]" 1 836 1 62 MET H 1 62 MET HB2 . . 3.750 2.348 2.182 2.621 . 0 0 "[ . 1 . 2]" 1 837 1 62 MET H 1 62 MET HB3 . . 3.750 3.591 3.485 3.751 0.001 3 0 "[ . 1 . 2]" 1 838 1 62 MET H 1 62 MET HG2 . . 3.960 3.339 2.658 3.895 . 0 0 "[ . 1 . 2]" 1 839 1 62 MET H 1 62 MET HG3 . . 3.960 3.351 2.675 3.973 0.013 6 0 "[ . 1 . 2]" 1 840 1 62 MET H 1 67 HIS HA . . 3.530 2.795 2.142 3.442 . 0 0 "[ . 1 . 2]" 1 841 1 62 MET H 1 68 CYS H . . 4.660 3.865 3.227 4.668 0.008 3 0 "[ . 1 . 2]" 1 842 1 62 MET HA 1 62 MET HG2 . . 4.060 2.478 2.164 3.039 . 0 0 "[ . 1 . 2]" 1 843 1 62 MET HA 1 62 MET HG3 . . 4.060 3.384 2.998 3.807 . 0 0 "[ . 1 . 2]" 1 844 1 62 MET QB 1 62 MET QG . . 2.340 2.043 1.990 2.086 . 0 0 "[ . 1 . 2]" 1 845 1 62 MET QB 1 63 GLY H . . 3.990 2.445 1.959 3.908 . 0 0 "[ . 1 . 2]" 1 846 1 62 MET QB 1 66 SER QB . . 3.270 2.147 1.854 3.195 . 0 0 "[ . 1 . 2]" 1 847 1 62 MET QB 1 68 CYS HB2 . . 4.850 4.014 3.395 4.414 . 0 0 "[ . 1 . 2]" 1 848 1 62 MET HB2 1 66 SER HB2 . . 4.410 2.956 2.272 4.097 . 0 0 "[ . 1 . 2]" 1 849 1 62 MET HB2 1 66 SER HB3 . . 4.410 2.622 2.131 4.009 . 0 0 "[ . 1 . 2]" 1 850 1 62 MET HB3 1 66 SER HB2 . . 4.410 3.171 2.294 4.022 . 0 0 "[ . 1 . 2]" 1 851 1 62 MET HB3 1 66 SER HB3 . . 4.410 2.846 2.071 4.411 0.001 11 0 "[ . 1 . 2]" 1 852 1 62 MET ME 1 62 MET QG . . 3.420 2.085 1.962 2.292 . 0 0 "[ . 1 . 2]" 1 853 1 62 MET ME 1 68 CYS HB2 . . 4.050 2.543 1.852 3.275 . 0 0 "[ . 1 . 2]" 1 854 1 62 MET ME 1 68 CYS HB3 . . 4.180 3.267 2.221 3.979 . 0 0 "[ . 1 . 2]" 1 855 1 62 MET QG 1 63 GLY H . . 5.340 4.109 3.713 4.671 . 0 0 "[ . 1 . 2]" 1 856 1 62 MET QG 1 67 HIS HA . . 4.130 2.903 2.351 4.019 . 0 0 "[ . 1 . 2]" 1 857 1 62 MET QG 1 68 CYS HB2 . . 3.540 2.174 1.825 2.785 . 0 0 "[ . 1 . 2]" 1 858 1 62 MET HG2 1 67 HIS HA . . 4.790 3.995 2.518 4.793 0.003 19 0 "[ . 1 . 2]" 1 859 1 62 MET HG2 1 68 CYS H . . 4.470 3.716 2.493 4.458 . 0 0 "[ . 1 . 2]" 1 860 1 62 MET HG2 1 68 CYS HB2 . . 4.210 2.837 2.069 3.617 . 0 0 "[ . 1 . 2]" 1 861 1 62 MET HG2 1 68 CYS HB3 . . 4.250 3.537 2.786 4.097 . 0 0 "[ . 1 . 2]" 1 862 1 62 MET HG3 1 67 HIS HA . . 4.790 3.135 2.493 4.721 . 0 0 "[ . 1 . 2]" 1 863 1 62 MET HG3 1 68 CYS H . . 4.470 3.044 2.481 4.157 . 0 0 "[ . 1 . 2]" 1 864 1 62 MET HG3 1 68 CYS HB2 . . 4.210 2.297 2.007 2.896 . 0 0 "[ . 1 . 2]" 1 865 1 62 MET HG3 1 68 CYS HB3 . . 4.250 3.404 2.492 3.866 . 0 0 "[ . 1 . 2]" 1 866 1 64 LYS HA 1 64 LYS QD . . 4.530 4.020 2.423 4.442 . 0 0 "[ . 1 . 2]" 1 867 1 64 LYS HA 1 64 LYS HG2 . . 4.080 3.309 2.286 3.766 . 0 0 "[ . 1 . 2]" 1 868 1 64 LYS HA 1 64 LYS QG . . 3.470 2.835 2.139 3.343 . 0 0 "[ . 1 . 2]" 1 869 1 64 LYS HA 1 64 LYS HG3 . . 4.080 3.210 2.174 3.927 . 0 0 "[ . 1 . 2]" 1 870 1 64 LYS HA 1 65 ASN HA . . 4.920 4.402 4.321 4.543 . 0 0 "[ . 1 . 2]" 1 871 1 64 LYS HA 1 66 SER H . . 4.280 3.948 3.347 4.307 0.027 11 0 "[ . 1 . 2]" 1 872 1 64 LYS QG 1 65 ASN QB . . 4.380 3.576 2.390 4.376 . 0 0 "[ . 1 . 2]" 1 873 1 65 ASN H 1 66 SER H . . 3.810 2.832 2.299 3.380 . 0 0 "[ . 1 . 2]" 1 874 1 65 ASN HA 1 66 SER H . . 3.560 2.879 2.706 3.444 . 0 0 "[ . 1 . 2]" 1 875 1 65 ASN QB 1 65 ASN QD . . 3.070 2.160 2.066 2.465 . 0 0 "[ . 1 . 2]" 1 876 1 65 ASN HB2 1 66 SER H . . 5.040 4.374 3.999 4.590 . 0 0 "[ . 1 . 2]" 1 877 1 65 ASN HB3 1 66 SER H . . 5.040 4.526 4.043 4.662 . 0 0 "[ . 1 . 2]" 1 878 1 66 SER H 1 66 SER HB2 . . 3.800 2.736 2.203 3.690 . 0 0 "[ . 1 . 2]" 1 879 1 66 SER H 1 66 SER QB . . 3.160 2.586 2.182 3.138 . 0 0 "[ . 1 . 2]" 1 880 1 66 SER H 1 66 SER HB3 . . 3.800 3.584 2.589 3.801 0.001 15 0 "[ . 1 . 2]" 1 881 1 66 SER H 1 67 HIS H . . 4.560 4.399 4.194 4.580 0.020 14 0 "[ . 1 . 2]" 1 882 1 66 SER HA 1 67 HIS H . . 2.830 2.215 2.139 2.308 . 0 0 "[ . 1 . 2]" 1 883 1 66 SER HA 1 67 HIS HA . . 4.470 4.440 4.394 4.473 0.003 1 0 "[ . 1 . 2]" 1 884 1 66 SER HA 1 67 HIS HD2 . . 4.640 3.739 3.112 4.346 . 0 0 "[ . 1 . 2]" 1 885 1 66 SER QB 1 67 HIS H . . 3.690 3.027 2.622 3.591 . 0 0 "[ . 1 . 2]" 1 886 1 66 SER HB2 1 67 HIS H . . 4.460 4.049 2.861 4.369 . 0 0 "[ . 1 . 2]" 1 887 1 66 SER HB3 1 67 HIS H . . 4.460 3.193 2.669 4.069 . 0 0 "[ . 1 . 2]" 1 888 1 67 HIS H 1 67 HIS HB2 . . 3.600 2.792 2.510 2.905 . 0 0 "[ . 1 . 2]" 1 889 1 67 HIS H 1 67 HIS HB3 . . 4.070 3.856 3.693 3.928 . 0 0 "[ . 1 . 2]" 1 890 1 67 HIS H 1 67 HIS HD2 . . 4.060 3.673 3.240 4.011 . 0 0 "[ . 1 . 2]" 1 891 1 67 HIS HA 1 68 CYS H . . 3.240 2.224 2.180 2.320 . 0 0 "[ . 1 . 2]" 1 892 1 67 HIS HB2 1 68 CYS H . . 4.320 4.064 3.833 4.197 . 0 0 "[ . 1 . 2]" 1 893 1 67 HIS HB3 1 68 CYS H . . 3.730 2.955 2.641 3.121 . 0 0 "[ . 1 . 2]" 1 894 1 67 HIS HB3 1 68 CYS HA . . 4.480 4.433 4.352 4.478 . 0 0 "[ . 1 . 2]" 1 895 1 68 CYS H 1 68 CYS HB2 . . 3.840 2.921 2.768 3.208 . 0 0 "[ . 1 . 2]" 1 896 1 68 CYS H 1 68 CYS HB3 . . 3.750 2.891 2.510 3.021 . 0 0 "[ . 1 . 2]" 1 897 1 68 CYS HA 1 69 VAL H . . 3.110 2.166 2.139 2.210 . 0 0 "[ . 1 . 2]" 1 898 1 68 CYS HA 1 69 VAL HB . . 4.820 4.600 4.403 4.802 . 0 0 "[ . 1 . 2]" 1 899 1 68 CYS HA 1 69 VAL MG2 . . 4.220 3.671 3.158 4.139 . 0 0 "[ . 1 . 2]" 1 900 1 68 CYS HB2 1 69 VAL H . . 4.550 4.356 4.207 4.537 . 0 0 "[ . 1 . 2]" 1 901 1 68 CYS HB3 1 69 VAL H . . 4.610 3.998 3.710 4.472 . 0 0 "[ . 1 . 2]" 1 902 1 69 VAL H 1 69 VAL HB . . 3.710 2.569 2.378 2.794 . 0 0 "[ . 1 . 2]" 1 903 1 69 VAL H 1 69 VAL MG2 . . 3.480 2.651 2.224 3.001 . 0 0 "[ . 1 . 2]" 1 904 1 69 VAL HA 1 69 VAL MG1 . . 3.440 2.399 2.238 2.550 . 0 0 "[ . 1 . 2]" 1 905 1 69 VAL HA 1 69 VAL MG2 . . 3.360 2.368 2.124 2.578 . 0 0 "[ . 1 . 2]" 1 906 1 69 VAL HA 1 70 ARG H . . 3.160 2.154 2.140 2.202 . 0 0 "[ . 1 . 2]" 1 907 1 69 VAL HB 1 70 ARG H . . 4.380 4.248 4.117 4.384 0.004 14 0 "[ . 1 . 2]" 1 908 1 69 VAL MG1 1 70 ARG H . . 3.570 2.625 2.197 2.904 . 0 0 "[ . 1 . 2]" 1 909 1 69 VAL MG1 1 70 ARG HA . . 4.710 3.727 3.273 4.099 . 0 0 "[ . 1 . 2]" 1 910 1 69 VAL MG1 1 71 PHE QB . . 4.420 3.281 3.078 3.379 . 0 0 "[ . 1 . 2]" 1 911 1 69 VAL MG1 1 71 PHE QD . . 3.840 1.965 1.835 2.217 . 0 0 "[ . 1 . 2]" 1 912 1 69 VAL MG1 1 71 PHE QE . . 4.130 2.331 1.893 3.057 . 0 0 "[ . 1 . 2]" 1 913 1 69 VAL MG1 1 71 PHE HZ . . 4.730 4.229 3.803 4.683 . 0 0 "[ . 1 . 2]" 1 914 1 69 VAL MG2 1 70 ARG H . . 4.330 4.034 3.728 4.264 . 0 0 "[ . 1 . 2]" 1 915 1 70 ARG H 1 70 ARG HB2 . . 3.780 3.249 2.389 3.786 0.006 5 0 "[ . 1 . 2]" 1 916 1 70 ARG H 1 70 ARG QB . . 3.250 2.767 2.358 3.102 . 0 0 "[ . 1 . 2]" 1 917 1 70 ARG H 1 70 ARG HB3 . . 3.780 3.338 2.833 3.783 0.003 12 0 "[ . 1 . 2]" 1 918 1 70 ARG H 1 70 ARG HD2 . . 4.880 4.535 4.146 4.881 0.001 4 0 "[ . 1 . 2]" 1 919 1 70 ARG H 1 70 ARG QD . . 4.110 4.002 3.641 4.119 0.009 9 0 "[ . 1 . 2]" 1 920 1 70 ARG H 1 70 ARG HD3 . . 4.880 4.540 3.830 4.882 0.002 18 0 "[ . 1 . 2]" 1 921 1 70 ARG H 1 70 ARG HG2 . . 4.270 2.842 1.926 4.097 . 0 0 "[ . 1 . 2]" 1 922 1 70 ARG H 1 70 ARG HG3 . . 4.270 2.909 2.660 3.272 . 0 0 "[ . 1 . 2]" 1 923 1 70 ARG H 1 71 PHE H . . 4.890 4.341 4.246 4.430 . 0 0 "[ . 1 . 2]" 1 924 1 70 ARG HA 1 70 ARG QD . . 5.120 4.245 4.011 4.539 . 0 0 "[ . 1 . 2]" 1 925 1 70 ARG HA 1 70 ARG QG . . 3.510 2.984 2.368 3.344 . 0 0 "[ . 1 . 2]" 1 926 1 70 ARG HA 1 71 PHE H . . 2.940 2.144 2.139 2.153 . 0 0 "[ . 1 . 2]" 1 927 1 70 ARG HA 1 71 PHE QB . . 5.500 4.450 4.389 4.484 . 0 0 "[ . 1 . 2]" 1 928 1 70 ARG HA 1 71 PHE QD . . 4.830 3.806 3.115 4.398 . 0 0 "[ . 1 . 2]" 1 929 1 70 ARG QB 1 70 ARG QD . . 3.180 2.157 2.098 2.344 . 0 0 "[ . 1 . 2]" 1 930 1 70 ARG HB2 1 71 PHE H . . 4.420 3.746 3.310 4.390 . 0 0 "[ . 1 . 2]" 1 931 1 70 ARG HB3 1 71 PHE H . . 4.420 3.894 3.280 4.285 . 0 0 "[ . 1 . 2]" 1 932 1 70 ARG QG 1 71 PHE H . . 4.290 4.224 4.085 4.296 0.006 9 0 "[ . 1 . 2]" 1 933 1 71 PHE H 1 71 PHE QB . . 3.900 3.263 3.217 3.288 . 0 0 "[ . 1 . 2]" 1 934 1 71 PHE H 1 71 PHE QD . . 3.770 3.112 2.456 3.420 . 0 0 "[ . 1 . 2]" 1 935 1 71 PHE H 1 72 VAL H . . 4.780 4.377 4.371 4.387 . 0 0 "[ . 1 . 2]" 1 936 1 71 PHE HA 1 71 PHE QD . . 4.190 3.703 3.675 3.725 . 0 0 "[ . 1 . 2]" 1 937 1 71 PHE HA 1 72 VAL H . . 3.120 2.446 2.430 2.452 . 0 0 "[ . 1 . 2]" 1 938 1 71 PHE HA 1 72 VAL MG2 . . 4.140 3.319 3.134 3.534 . 0 0 "[ . 1 . 2]" 1 939 1 71 PHE QB 1 72 VAL H . . 3.370 2.318 2.298 2.353 . 0 0 "[ . 1 . 2]" 1 940 1 71 PHE QB 1 72 VAL MG2 . . 4.630 4.126 3.952 4.313 . 0 0 "[ . 1 . 2]" 1 941 1 71 PHE QB 1 73 PRO HD2 . . 5.500 5.278 5.166 5.380 . 0 0 "[ . 1 . 2]" 1 942 1 71 PHE QB 1 73 PRO HD3 . . 4.700 4.113 3.965 4.262 . 0 0 "[ . 1 . 2]" 1 943 1 71 PHE QD 1 72 VAL H . . 4.250 3.279 3.147 3.417 . 0 0 "[ . 1 . 2]" 1 944 1 71 PHE QD 1 72 VAL HB . . 5.210 5.029 4.867 5.186 . 0 0 "[ . 1 . 2]" 1 945 1 71 PHE QD 1 73 PRO HA . . 4.480 3.223 3.072 3.370 . 0 0 "[ . 1 . 2]" 1 946 1 71 PHE QD 1 73 PRO HB3 . . 4.670 3.300 3.071 3.594 . 0 0 "[ . 1 . 2]" 1 947 1 71 PHE QD 1 73 PRO HD2 . . 4.910 3.925 3.515 4.612 . 0 0 "[ . 1 . 2]" 1 948 1 71 PHE QD 1 73 PRO HD3 . . 4.960 2.435 1.993 3.265 . 0 0 "[ . 1 . 2]" 1 949 1 71 PHE QD 1 73 PRO HG3 . . 4.780 4.075 3.745 4.632 . 0 0 "[ . 1 . 2]" 1 950 1 71 PHE QE 1 73 PRO HA . . 4.430 3.474 2.979 3.746 . 0 0 "[ . 1 . 2]" 1 951 1 71 PHE QE 1 73 PRO HB2 . . 4.770 3.750 3.687 3.859 . 0 0 "[ . 1 . 2]" 1 952 1 71 PHE QE 1 73 PRO HB3 . . 4.340 2.042 1.998 2.147 . 0 0 "[ . 1 . 2]" 1 953 1 71 PHE QE 1 73 PRO HG3 . . 4.550 3.169 2.798 3.740 . 0 0 "[ . 1 . 2]" 1 954 1 71 PHE QE 1 97 PHE HZ . . 4.640 2.792 2.327 3.655 . 0 0 "[ . 1 . 2]" 1 955 1 71 PHE HZ 1 97 PHE QE . . 4.750 3.534 2.881 4.275 . 0 0 "[ . 1 . 2]" 1 956 1 71 PHE HZ 1 97 PHE HZ . . 5.370 3.629 2.623 4.353 . 0 0 "[ . 1 . 2]" 1 957 1 72 VAL H 1 72 VAL HB . . 3.350 2.669 2.552 2.808 . 0 0 "[ . 1 . 2]" 1 958 1 72 VAL H 1 72 VAL MG1 . . 4.240 3.841 3.815 3.862 . 0 0 "[ . 1 . 2]" 1 959 1 72 VAL H 1 72 VAL MG2 . . 3.610 2.406 2.152 2.693 . 0 0 "[ . 1 . 2]" 1 960 1 72 VAL H 1 73 PRO HD2 . . 4.940 4.488 4.441 4.536 . 0 0 "[ . 1 . 2]" 1 961 1 72 VAL HA 1 72 VAL MG1 . . 3.540 2.258 2.118 2.364 . 0 0 "[ . 1 . 2]" 1 962 1 72 VAL HA 1 72 VAL MG2 . . 3.520 2.445 2.290 2.572 . 0 0 "[ . 1 . 2]" 1 963 1 72 VAL HA 1 73 PRO HD2 . . 3.670 1.928 1.919 1.939 . 0 0 "[ . 1 . 2]" 1 964 1 72 VAL HA 1 73 PRO HD3 . . 3.610 2.609 2.569 2.649 . 0 0 "[ . 1 . 2]" 1 965 1 72 VAL HA 1 73 PRO HG2 . . 4.630 4.120 4.116 4.125 . 0 0 "[ . 1 . 2]" 1 966 1 72 VAL HA 1 73 PRO HG3 . . 4.610 4.444 4.420 4.469 . 0 0 "[ . 1 . 2]" 1 967 1 72 VAL HB 1 74 GLN QE . . 5.230 3.722 2.476 5.132 . 0 0 "[ . 1 . 2]" 1 968 1 72 VAL MG1 1 73 PRO HD2 . . 4.070 3.002 2.920 3.067 . 0 0 "[ . 1 . 2]" 1 969 1 72 VAL MG1 1 73 PRO HD3 . . 4.150 4.157 4.098 4.182 0.032 11 0 "[ . 1 . 2]" 1 970 1 72 VAL MG1 1 74 GLN HE21 . . 4.250 2.929 1.878 3.789 . 0 0 "[ . 1 . 2]" 1 971 1 72 VAL MG1 1 74 GLN HE22 . . 4.250 3.468 2.563 4.057 . 0 0 "[ . 1 . 2]" 1 972 1 72 VAL MG1 1 74 GLN QG . . 4.630 2.858 1.870 4.229 . 0 0 "[ . 1 . 2]" 1 973 1 72 VAL MG2 1 73 PRO HD3 . . 4.790 4.487 4.398 4.558 . 0 0 "[ . 1 . 2]" 1 974 1 73 PRO HA 1 74 GLN H . . 3.180 2.384 2.329 2.408 . 0 0 "[ . 1 . 2]" 1 975 1 73 PRO HB2 1 79 HIS HD2 . . 4.960 2.174 2.003 2.552 . 0 0 "[ . 1 . 2]" 1 976 1 73 PRO HB2 1 99 VAL MG1 . . 3.970 3.496 3.188 3.935 . 0 0 "[ . 1 . 2]" 1 977 1 73 PRO HB2 1 99 VAL MG2 . . 3.670 2.423 2.053 2.723 . 0 0 "[ . 1 . 2]" 1 978 1 73 PRO HB3 1 99 VAL MG2 . . 3.890 3.741 3.284 3.892 0.002 4 0 "[ . 1 . 2]" 1 979 1 73 PRO HG2 1 99 VAL MG1 . . 3.890 3.210 2.904 3.528 . 0 0 "[ . 1 . 2]" 1 980 1 73 PRO HG2 1 99 VAL MG2 . . 4.100 3.332 2.727 3.726 . 0 0 "[ . 1 . 2]" 1 981 1 74 GLN H 1 74 GLN HB2 . . 4.190 3.271 2.420 3.778 . 0 0 "[ . 1 . 2]" 1 982 1 74 GLN H 1 74 GLN QB . . 3.490 2.766 2.384 3.114 . 0 0 "[ . 1 . 2]" 1 983 1 74 GLN H 1 74 GLN HB3 . . 4.190 3.165 2.506 3.639 . 0 0 "[ . 1 . 2]" 1 984 1 74 GLN H 1 74 GLN QG . . 4.420 2.769 1.890 4.096 . 0 0 "[ . 1 . 2]" 1 985 1 74 GLN HA 1 74 GLN QG . . 3.630 2.891 2.183 3.340 . 0 0 "[ . 1 . 2]" 1 986 1 74 GLN QB 1 74 GLN QE . . 3.650 2.837 1.910 3.572 . 0 0 "[ . 1 . 2]" 1 987 1 75 GLU H 1 75 GLU HB2 . . 4.030 2.836 2.654 3.116 . 0 0 "[ . 1 . 2]" 1 988 1 75 GLU H 1 75 GLU QB . . 3.390 2.713 2.597 2.910 . 0 0 "[ . 1 . 2]" 1 989 1 75 GLU H 1 75 GLU HB3 . . 4.030 3.651 2.926 3.926 . 0 0 "[ . 1 . 2]" 1 990 1 75 GLU H 1 75 GLU QG . . 4.270 3.659 2.660 4.359 0.089 11 0 "[ . 1 . 2]" 1 991 1 75 GLU H 1 76 MET H . . 4.750 4.394 4.384 4.423 . 0 0 "[ . 1 . 2]" 1 992 1 75 GLU HA 1 75 GLU HG2 . . 4.110 3.326 2.784 3.627 . 0 0 "[ . 1 . 2]" 1 993 1 75 GLU HA 1 75 GLU HG3 . . 4.110 3.030 2.200 3.932 . 0 0 "[ . 1 . 2]" 1 994 1 75 GLU HA 1 76 MET H . . 2.950 2.575 2.483 2.607 . 0 0 "[ . 1 . 2]" 1 995 1 75 GLU HA 1 76 MET QG . . 3.800 3.647 3.376 3.774 . 0 0 "[ . 1 . 2]" 1 996 1 75 GLU QB 1 76 MET H . . 3.380 2.244 1.991 3.053 . 0 0 "[ . 1 . 2]" 1 997 1 75 GLU QB 1 79 HIS HD1 . . 4.870 3.244 2.933 3.514 . 0 0 "[ . 1 . 2]" 1 998 1 75 GLU QB 1 79 HIS HE1 . . 3.840 2.495 2.034 2.838 . 0 0 "[ . 1 . 2]" 1 999 1 75 GLU QG 1 76 MET H . . 4.730 3.312 1.889 4.215 . 0 0 "[ . 1 . 2]" 1 1000 1 76 MET H 1 76 MET HB2 . . 3.770 2.551 2.382 3.536 . 0 0 "[ . 1 . 2]" 1 1001 1 76 MET H 1 76 MET QB . . 3.190 2.469 2.351 3.043 . 0 0 "[ . 1 . 2]" 1 1002 1 76 MET H 1 76 MET HB3 . . 3.770 3.611 3.271 3.703 . 0 0 "[ . 1 . 2]" 1 1003 1 76 MET H 1 76 MET HG2 . . 3.820 3.008 2.070 3.741 . 0 0 "[ . 1 . 2]" 1 1004 1 76 MET H 1 76 MET QG . . 3.320 2.652 1.902 2.863 . 0 0 "[ . 1 . 2]" 1 1005 1 76 MET H 1 76 MET HG3 . . 3.820 3.280 2.105 3.815 . 0 0 "[ . 1 . 2]" 1 1006 1 76 MET H 1 77 GLY H . . 4.890 2.400 2.155 2.611 . 0 0 "[ . 1 . 2]" 1 1007 1 76 MET HA 1 76 MET HG2 . . 4.050 2.686 2.327 3.604 . 0 0 "[ . 1 . 2]" 1 1008 1 76 MET HA 1 76 MET QG . . 3.280 2.601 2.281 3.252 . 0 0 "[ . 1 . 2]" 1 1009 1 76 MET HA 1 76 MET HG3 . . 4.050 3.588 3.185 3.830 . 0 0 "[ . 1 . 2]" 1 1010 1 76 MET HA 1 77 GLY H . . 3.240 3.180 3.050 3.280 0.040 16 0 "[ . 1 . 2]" 1 1011 1 76 MET HA 1 77 GLY HA2 . . 4.420 4.424 4.396 4.449 0.029 9 0 "[ . 1 . 2]" 1 1012 1 76 MET HA 1 79 HIS HE1 . . 5.400 5.188 4.898 5.380 . 0 0 "[ . 1 . 2]" 1 1013 1 76 MET QB 1 77 GLY H . . 3.720 3.557 3.454 3.763 0.043 9 0 "[ . 1 . 2]" 1 1014 1 76 MET QB 1 77 GLY HA2 . . 5.340 4.502 4.422 4.600 . 0 0 "[ . 1 . 2]" 1 1015 1 76 MET HB2 1 77 GLY H . . 4.530 3.778 3.637 4.024 . 0 0 "[ . 1 . 2]" 1 1016 1 76 MET HB3 1 77 GLY H . . 4.530 4.345 4.283 4.524 . 0 0 "[ . 1 . 2]" 1 1017 1 76 MET ME 1 76 MET HG2 . . 3.910 2.635 2.037 3.373 . 0 0 "[ . 1 . 2]" 1 1018 1 76 MET ME 1 76 MET QG . . 3.430 2.185 2.004 2.356 . 0 0 "[ . 1 . 2]" 1 1019 1 76 MET ME 1 76 MET HG3 . . 3.910 2.644 2.151 3.271 . 0 0 "[ . 1 . 2]" 1 1020 1 77 GLY H 1 79 HIS HE1 . . 4.880 3.536 3.197 4.059 . 0 0 "[ . 1 . 2]" 1 1021 1 77 GLY HA2 1 78 VAL H . . 3.380 3.168 2.986 3.334 . 0 0 "[ . 1 . 2]" 1 1022 1 77 GLY HA2 1 78 VAL HA . . 4.610 4.422 4.373 4.484 . 0 0 "[ . 1 . 2]" 1 1023 1 77 GLY HA2 1 78 VAL HB . . 5.500 5.003 4.885 5.116 . 0 0 "[ . 1 . 2]" 1 1024 1 77 GLY HA3 1 78 VAL H . . 3.270 2.157 2.137 2.223 . 0 0 "[ . 1 . 2]" 1 1025 1 78 VAL H 1 78 VAL HB . . 3.050 2.719 2.439 3.018 . 0 0 "[ . 1 . 2]" 1 1026 1 78 VAL H 1 78 VAL MG1 . . 3.140 2.105 1.886 2.349 . 0 0 "[ . 1 . 2]" 1 1027 1 78 VAL H 1 78 VAL MG2 . . 4.090 3.789 3.754 3.830 . 0 0 "[ . 1 . 2]" 1 1028 1 78 VAL H 1 79 HIS H . . 4.810 4.574 4.493 4.614 . 0 0 "[ . 1 . 2]" 1 1029 1 78 VAL HA 1 78 VAL MG1 . . 3.370 3.193 3.178 3.202 . 0 0 "[ . 1 . 2]" 1 1030 1 78 VAL HA 1 78 VAL MG2 . . 3.440 2.295 2.157 2.456 . 0 0 "[ . 1 . 2]" 1 1031 1 78 VAL HA 1 79 HIS H . . 2.890 2.228 2.167 2.316 . 0 0 "[ . 1 . 2]" 1 1032 1 78 VAL HA 1 79 HIS HD1 . . 4.870 2.610 2.405 2.836 . 0 0 "[ . 1 . 2]" 1 1033 1 78 VAL HA 1 97 PHE H . . 5.500 5.455 5.221 5.505 0.005 15 0 "[ . 1 . 2]" 1 1034 1 78 VAL HA 1 98 THR HA . . 3.780 3.429 3.024 3.734 . 0 0 "[ . 1 . 2]" 1 1035 1 78 VAL HA 1 99 VAL H . . 4.520 4.102 3.668 4.438 . 0 0 "[ . 1 . 2]" 1 1036 1 78 VAL HB 1 79 HIS H . . 4.410 4.040 3.897 4.178 . 0 0 "[ . 1 . 2]" 1 1037 1 78 VAL MG1 1 79 HIS H . . 4.040 3.733 3.356 3.954 . 0 0 "[ . 1 . 2]" 1 1038 1 78 VAL MG2 1 79 HIS H . . 3.610 2.143 1.898 2.516 . 0 0 "[ . 1 . 2]" 1 1039 1 78 VAL MG2 1 96 GLN HA . . 4.760 3.833 3.571 4.034 . 0 0 "[ . 1 . 2]" 1 1040 1 78 VAL MG2 1 96 GLN HE21 . . 4.540 3.607 2.862 4.537 . 0 0 "[ . 1 . 2]" 1 1041 1 78 VAL MG2 1 96 GLN QE . . 3.950 3.346 2.819 3.950 . 0 0 "[ . 1 . 2]" 1 1042 1 78 VAL MG2 1 96 GLN HE22 . . 4.540 4.185 3.707 4.517 . 0 0 "[ . 1 . 2]" 1 1043 1 78 VAL MG2 1 96 GLN HG2 . . 4.590 2.634 2.137 3.128 . 0 0 "[ . 1 . 2]" 1 1044 1 78 VAL MG2 1 96 GLN QG . . 3.850 2.581 2.055 3.078 . 0 0 "[ . 1 . 2]" 1 1045 1 78 VAL MG2 1 96 GLN HG3 . . 4.590 3.761 2.663 4.587 . 0 0 "[ . 1 . 2]" 1 1046 1 78 VAL MG2 1 97 PHE H . . 4.150 3.160 2.976 3.449 . 0 0 "[ . 1 . 2]" 1 1047 1 78 VAL MG2 1 99 VAL H . . 5.040 4.686 4.137 5.040 . 9 0 "[ . 1 . 2]" 1 1048 1 79 HIS H 1 79 HIS HB2 . . 3.590 2.542 2.435 2.632 . 0 0 "[ . 1 . 2]" 1 1049 1 79 HIS H 1 79 HIS HB3 . . 3.900 3.692 3.637 3.751 . 0 0 "[ . 1 . 2]" 1 1050 1 79 HIS H 1 79 HIS HD1 . . 3.870 2.151 1.937 2.377 . 0 0 "[ . 1 . 2]" 1 1051 1 79 HIS H 1 80 THR H . . 4.950 4.493 4.431 4.559 . 0 0 "[ . 1 . 2]" 1 1052 1 79 HIS H 1 97 PHE H . . 3.930 3.755 3.515 3.928 . 0 0 "[ . 1 . 2]" 1 1053 1 79 HIS H 1 98 THR HA . . 3.830 3.357 2.962 3.610 . 0 0 "[ . 1 . 2]" 1 1054 1 79 HIS H 1 99 VAL H . . 4.610 4.176 3.702 4.587 . 0 0 "[ . 1 . 2]" 1 1055 1 79 HIS HA 1 79 HIS HD1 . . 4.780 3.215 3.044 3.459 . 0 0 "[ . 1 . 2]" 1 1056 1 79 HIS HA 1 79 HIS HD2 . . 4.400 4.234 4.039 4.406 0.006 10 0 "[ . 1 . 2]" 1 1057 1 79 HIS HA 1 80 THR H . . 3.070 2.189 2.154 2.247 . 0 0 "[ . 1 . 2]" 1 1058 1 79 HIS HA 1 80 THR HA . . 4.820 4.416 4.397 4.437 . 0 0 "[ . 1 . 2]" 1 1059 1 79 HIS HB2 1 80 THR H . . 4.220 4.059 3.895 4.198 . 0 0 "[ . 1 . 2]" 1 1060 1 79 HIS HB2 1 97 PHE H . . 4.640 3.830 3.286 4.150 . 0 0 "[ . 1 . 2]" 1 1061 1 79 HIS HB2 1 98 THR HA . . 5.130 4.500 3.955 5.122 . 0 0 "[ . 1 . 2]" 1 1062 1 79 HIS HB3 1 80 THR H . . 3.820 3.089 2.853 3.275 . 0 0 "[ . 1 . 2]" 1 1063 1 79 HIS HD1 1 99 VAL H . . 4.400 3.675 3.351 4.061 . 0 0 "[ . 1 . 2]" 1 1064 1 79 HIS HD1 1 99 VAL HB . . 4.970 4.139 3.695 4.593 . 0 0 "[ . 1 . 2]" 1 1065 1 79 HIS HD1 1 99 VAL MG2 . . 4.450 2.855 2.402 3.321 . 0 0 "[ . 1 . 2]" 1 1066 1 79 HIS HD2 1 99 VAL MG2 . . 4.950 3.062 2.625 3.660 . 0 0 "[ . 1 . 2]" 1 1067 1 79 HIS HE1 1 99 VAL H . . 4.920 4.234 3.874 4.748 . 0 0 "[ . 1 . 2]" 1 1068 1 79 HIS HE1 1 99 VAL HB . . 3.790 3.208 2.617 3.627 . 0 0 "[ . 1 . 2]" 1 1069 1 79 HIS HE1 1 99 VAL MG1 . . 4.500 4.313 3.777 4.500 . 15 0 "[ . 1 . 2]" 1 1070 1 79 HIS HE1 1 99 VAL MG2 . . 4.050 3.108 2.758 3.644 . 0 0 "[ . 1 . 2]" 1 1071 1 80 THR H 1 80 THR HB . . 3.490 2.880 2.705 3.067 . 0 0 "[ . 1 . 2]" 1 1072 1 80 THR H 1 80 THR MG . . 4.130 3.941 3.888 3.986 . 0 0 "[ . 1 . 2]" 1 1073 1 80 THR H 1 81 VAL H . . 4.950 4.242 4.082 4.436 . 0 0 "[ . 1 . 2]" 1 1074 1 80 THR HA 1 80 THR MG . . 3.350 2.264 2.105 2.438 . 0 0 "[ . 1 . 2]" 1 1075 1 80 THR HA 1 81 VAL H . . 2.920 2.158 2.141 2.218 . 0 0 "[ . 1 . 2]" 1 1076 1 80 THR HA 1 81 VAL HA . . 5.160 4.392 4.376 4.415 . 0 0 "[ . 1 . 2]" 1 1077 1 80 THR HA 1 81 VAL HB . . 5.000 4.705 4.562 5.000 . 0 0 "[ . 1 . 2]" 1 1078 1 80 THR HA 1 96 GLN HA . . 3.250 2.523 2.297 2.778 . 0 0 "[ . 1 . 2]" 1 1079 1 80 THR HA 1 96 GLN HG2 . . 4.620 3.779 2.931 4.549 . 0 0 "[ . 1 . 2]" 1 1080 1 80 THR HA 1 96 GLN QG . . 3.960 3.354 2.801 3.905 . 0 0 "[ . 1 . 2]" 1 1081 1 80 THR HA 1 96 GLN HG3 . . 4.620 3.799 3.330 4.437 . 0 0 "[ . 1 . 2]" 1 1082 1 80 THR HA 1 97 PHE H . . 3.900 3.584 3.143 3.897 . 0 0 "[ . 1 . 2]" 1 1083 1 80 THR HB 1 81 VAL H . . 4.270 4.082 3.724 4.274 0.004 15 0 "[ . 1 . 2]" 1 1084 1 80 THR HB 1 94 PRO HB2 . . 4.900 4.380 3.637 4.834 . 0 0 "[ . 1 . 2]" 1 1085 1 80 THR HB 1 94 PRO QG . . 5.500 4.887 3.973 5.494 . 0 0 "[ . 1 . 2]" 1 1086 1 80 THR MG 1 81 VAL H . . 3.730 2.587 2.137 2.941 . 0 0 "[ . 1 . 2]" 1 1087 1 80 THR MG 1 94 PRO HB2 . . 3.190 2.010 1.842 2.223 . 0 0 "[ . 1 . 2]" 1 1088 1 80 THR MG 1 94 PRO HB3 . . 3.630 3.092 2.818 3.273 . 0 0 "[ . 1 . 2]" 1 1089 1 80 THR MG 1 94 PRO QG . . 4.100 2.648 2.139 3.066 . 0 0 "[ . 1 . 2]" 1 1090 1 80 THR MG 1 96 GLN HA . . 4.560 3.045 2.292 3.633 . 0 0 "[ . 1 . 2]" 1 1091 1 80 THR MG 1 96 GLN QE . . 4.410 3.882 3.084 4.411 0.001 3 0 "[ . 1 . 2]" 1 1092 1 80 THR MG 1 96 GLN HG2 . . 4.020 3.346 2.467 4.015 . 0 0 "[ . 1 . 2]" 1 1093 1 80 THR MG 1 96 GLN QG . . 3.520 2.405 1.955 3.006 . 0 0 "[ . 1 . 2]" 1 1094 1 80 THR MG 1 96 GLN HG3 . . 4.020 2.472 2.005 3.109 . 0 0 "[ . 1 . 2]" 1 1095 1 81 VAL H 1 81 VAL HB . . 3.690 2.602 2.448 2.942 . 0 0 "[ . 1 . 2]" 1 1096 1 81 VAL H 1 81 VAL MG2 . . 3.480 2.444 2.043 2.672 . 0 0 "[ . 1 . 2]" 1 1097 1 81 VAL H 1 82 SER H . . 5.170 4.386 4.105 4.564 . 0 0 "[ . 1 . 2]" 1 1098 1 81 VAL H 1 95 PHE H . . 3.820 3.074 2.776 3.338 . 0 0 "[ . 1 . 2]" 1 1099 1 81 VAL H 1 95 PHE QB . . 4.300 3.128 2.901 3.403 . 0 0 "[ . 1 . 2]" 1 1100 1 81 VAL H 1 95 PHE QD . . 4.770 4.504 4.139 4.768 . 0 0 "[ . 1 . 2]" 1 1101 1 81 VAL H 1 96 GLN HA . . 4.200 3.716 3.405 3.921 . 0 0 "[ . 1 . 2]" 1 1102 1 81 VAL HA 1 81 VAL MG1 . . 3.610 2.334 2.071 2.464 . 0 0 "[ . 1 . 2]" 1 1103 1 81 VAL HA 1 82 SER H . . 3.100 2.155 2.141 2.213 . 0 0 "[ . 1 . 2]" 1 1104 1 81 VAL HA 1 82 SER HA . . 4.430 4.398 4.379 4.432 0.002 16 0 "[ . 1 . 2]" 1 1105 1 81 VAL HB 1 95 PHE H . . 4.280 3.099 2.577 3.411 . 0 0 "[ . 1 . 2]" 1 1106 1 81 VAL HB 1 95 PHE HB2 . . 4.450 2.247 2.003 2.622 . 0 0 "[ . 1 . 2]" 1 1107 1 81 VAL HB 1 95 PHE QB . . 3.760 2.234 1.993 2.602 . 0 0 "[ . 1 . 2]" 1 1108 1 81 VAL HB 1 95 PHE HB3 . . 4.450 3.925 3.530 4.342 . 0 0 "[ . 1 . 2]" 1 1109 1 81 VAL HB 1 95 PHE QD . . 4.130 2.714 2.262 3.057 . 0 0 "[ . 1 . 2]" 1 1110 1 81 VAL HB 1 97 PHE QE . . 4.870 4.193 3.590 4.638 . 0 0 "[ . 1 . 2]" 1 1111 1 81 VAL MG1 1 82 SER H . . 3.650 2.669 2.064 3.134 . 0 0 "[ . 1 . 2]" 1 1112 1 81 VAL MG1 1 83 VAL MG2 . . 3.040 2.010 1.753 2.341 . 0 0 "[ . 1 . 2]" 1 1113 1 81 VAL MG1 1 95 PHE H . . 4.760 4.118 3.624 4.623 . 0 0 "[ . 1 . 2]" 1 1114 1 81 VAL MG1 1 95 PHE QB . . 4.540 3.605 3.312 3.910 . 0 0 "[ . 1 . 2]" 1 1115 1 81 VAL MG1 1 95 PHE QD . . 3.760 3.039 2.397 3.458 . 0 0 "[ . 1 . 2]" 1 1116 1 81 VAL MG1 1 95 PHE QE . . 4.620 4.297 3.650 4.614 . 0 0 "[ . 1 . 2]" 1 1117 1 81 VAL MG2 1 95 PHE H . . 5.240 4.292 3.839 4.609 . 0 0 "[ . 1 . 2]" 1 1118 1 81 VAL MG2 1 95 PHE HB2 . . 4.850 3.087 2.330 3.706 . 0 0 "[ . 1 . 2]" 1 1119 1 81 VAL MG2 1 95 PHE QB . . 4.120 2.997 2.293 3.596 . 0 0 "[ . 1 . 2]" 1 1120 1 81 VAL MG2 1 95 PHE HB3 . . 4.850 4.078 3.422 4.852 0.002 20 0 "[ . 1 . 2]" 1 1121 1 81 VAL MG2 1 97 PHE QB . . 5.020 4.680 4.321 4.995 . 0 0 "[ . 1 . 2]" 1 1122 1 81 VAL MG2 1 97 PHE QD . . 3.800 3.010 2.674 3.381 . 0 0 "[ . 1 . 2]" 1 1123 1 81 VAL MG2 1 97 PHE QE . . 3.650 1.938 1.772 2.273 . 0 0 "[ . 1 . 2]" 1 1124 1 81 VAL MG2 1 97 PHE HZ . . 4.390 3.497 3.029 4.059 . 0 0 "[ . 1 . 2]" 1 1125 1 82 SER H 1 82 SER HB2 . . 3.980 2.528 2.222 3.771 . 0 0 "[ . 1 . 2]" 1 1126 1 82 SER H 1 82 SER QB . . 3.390 2.396 2.199 2.715 . 0 0 "[ . 1 . 2]" 1 1127 1 82 SER H 1 82 SER HB3 . . 3.980 3.401 2.572 3.709 . 0 0 "[ . 1 . 2]" 1 1128 1 82 SER H 1 83 VAL H . . 5.000 4.182 3.966 4.397 . 0 0 "[ . 1 . 2]" 1 1129 1 82 SER H 1 83 VAL MG2 . . 4.860 3.931 3.644 4.169 . 0 0 "[ . 1 . 2]" 1 1130 1 82 SER HA 1 83 VAL H . . 3.150 2.184 2.139 2.239 . 0 0 "[ . 1 . 2]" 1 1131 1 82 SER HA 1 83 VAL MG2 . . 4.580 3.809 3.491 4.070 . 0 0 "[ . 1 . 2]" 1 1132 1 82 SER HA 1 89 HIS HE1 . . 4.430 3.230 2.574 3.833 . 0 0 "[ . 1 . 2]" 1 1133 1 82 SER HA 1 93 SER HG . . 4.290 3.465 2.901 4.122 . 0 0 "[ . 1 . 2]" 1 1134 1 82 SER HA 1 94 PRO HA . . 3.830 2.994 2.705 3.459 . 0 0 "[ . 1 . 2]" 1 1135 1 82 SER HA 1 94 PRO HB2 . . 4.510 3.563 3.253 3.976 . 0 0 "[ . 1 . 2]" 1 1136 1 82 SER HA 1 94 PRO HB3 . . 4.330 2.387 2.012 2.974 . 0 0 "[ . 1 . 2]" 1 1137 1 82 SER HA 1 95 PHE H . . 4.660 3.881 3.559 4.395 . 0 0 "[ . 1 . 2]" 1 1138 1 82 SER QB 1 83 VAL H . . 4.110 3.686 3.412 4.008 . 0 0 "[ . 1 . 2]" 1 1139 1 82 SER QB 1 83 VAL MG2 . . 5.340 4.508 4.312 4.673 . 0 0 "[ . 1 . 2]" 1 1140 1 82 SER QB 1 84 LYS QE . . 3.930 3.090 2.594 3.603 . 0 0 "[ . 1 . 2]" 1 1141 1 82 SER QB 1 84 LYS HG3 . . 4.170 3.690 3.360 4.165 . 0 0 "[ . 1 . 2]" 1 1142 1 82 SER QB 1 89 HIS HE1 . . 3.590 3.099 2.387 3.588 . 0 0 "[ . 1 . 2]" 1 1143 1 82 SER QB 1 94 PRO HB3 . . 4.440 3.769 3.219 4.134 . 0 0 "[ . 1 . 2]" 1 1144 1 82 SER HB2 1 83 VAL H . . 4.760 4.461 3.792 4.637 . 0 0 "[ . 1 . 2]" 1 1145 1 82 SER HB3 1 83 VAL H . . 4.760 3.963 3.559 4.543 . 0 0 "[ . 1 . 2]" 1 1146 1 83 VAL H 1 83 VAL HB . . 3.880 2.646 2.490 2.770 . 0 0 "[ . 1 . 2]" 1 1147 1 83 VAL H 1 83 VAL MG1 . . 4.680 3.851 3.782 3.909 . 0 0 "[ . 1 . 2]" 1 1148 1 83 VAL H 1 83 VAL MG2 . . 3.760 2.588 2.233 2.776 . 0 0 "[ . 1 . 2]" 1 1149 1 83 VAL H 1 84 LYS H . . 5.160 4.181 4.013 4.300 . 0 0 "[ . 1 . 2]" 1 1150 1 83 VAL H 1 90 VAL MG2 . . 4.940 3.956 3.600 4.374 . 0 0 "[ . 1 . 2]" 1 1151 1 83 VAL H 1 93 SER HA . . 5.080 4.433 4.140 4.746 . 0 0 "[ . 1 . 2]" 1 1152 1 83 VAL H 1 93 SER HB2 . . 4.590 4.297 3.881 4.572 . 0 0 "[ . 1 . 2]" 1 1153 1 83 VAL H 1 93 SER HB3 . . 4.330 4.154 3.928 4.310 . 0 0 "[ . 1 . 2]" 1 1154 1 83 VAL H 1 93 SER HG . . 3.560 2.109 1.920 2.278 . 0 0 "[ . 1 . 2]" 1 1155 1 83 VAL H 1 94 PRO HA . . 4.420 2.995 2.771 3.325 . 0 0 "[ . 1 . 2]" 1 1156 1 83 VAL H 1 95 PHE H . . 5.500 4.152 3.606 4.501 . 0 0 "[ . 1 . 2]" 1 1157 1 83 VAL HA 1 83 VAL MG1 . . 3.420 2.329 2.193 2.462 . 0 0 "[ . 1 . 2]" 1 1158 1 83 VAL HA 1 83 VAL MG2 . . 3.480 2.419 2.295 2.533 . 0 0 "[ . 1 . 2]" 1 1159 1 83 VAL HA 1 84 LYS H . . 2.930 2.162 2.141 2.197 . 0 0 "[ . 1 . 2]" 1 1160 1 83 VAL HB 1 84 LYS H . . 4.930 4.338 4.157 4.434 . 0 0 "[ . 1 . 2]" 1 1161 1 83 VAL HB 1 90 VAL H . . 4.580 4.009 3.649 4.356 . 0 0 "[ . 1 . 2]" 1 1162 1 83 VAL HB 1 90 VAL MG2 . . 3.260 2.314 2.013 2.818 . 0 0 "[ . 1 . 2]" 1 1163 1 83 VAL HB 1 93 SER HB2 . . 4.190 3.566 3.268 3.821 . 0 0 "[ . 1 . 2]" 1 1164 1 83 VAL HB 1 93 SER HB3 . . 4.560 4.334 3.985 4.554 . 0 0 "[ . 1 . 2]" 1 1165 1 83 VAL HB 1 95 PHE QD . . 4.440 3.650 3.085 3.955 . 0 0 "[ . 1 . 2]" 1 1166 1 83 VAL HB 1 95 PHE QE . . 3.950 2.423 2.070 3.056 . 0 0 "[ . 1 . 2]" 1 1167 1 83 VAL MG1 1 84 LYS H . . 3.530 3.076 2.819 3.288 . 0 0 "[ . 1 . 2]" 1 1168 1 83 VAL MG1 1 95 PHE QE . . 4.690 3.266 2.757 3.743 . 0 0 "[ . 1 . 2]" 1 1169 1 83 VAL MG2 1 95 PHE H . . 5.390 4.184 3.770 4.529 . 0 0 "[ . 1 . 2]" 1 1170 1 83 VAL MG2 1 95 PHE QD . . 3.580 2.420 2.093 2.793 . 0 0 "[ . 1 . 2]" 1 1171 1 83 VAL MG2 1 95 PHE QE . . 3.640 2.404 1.990 3.023 . 0 0 "[ . 1 . 2]" 1 1172 1 84 LYS H 1 84 LYS HB2 . . 3.510 2.575 2.420 2.731 . 0 0 "[ . 1 . 2]" 1 1173 1 84 LYS H 1 84 LYS HB3 . . 3.950 3.727 3.616 3.828 . 0 0 "[ . 1 . 2]" 1 1174 1 84 LYS H 1 84 LYS QD . . 5.340 4.517 4.129 4.844 . 0 0 "[ . 1 . 2]" 1 1175 1 84 LYS H 1 84 LYS HG2 . . 4.270 3.996 3.744 4.258 . 0 0 "[ . 1 . 2]" 1 1176 1 84 LYS H 1 84 LYS HG3 . . 3.540 2.982 2.642 3.386 . 0 0 "[ . 1 . 2]" 1 1177 1 84 LYS H 1 85 TYR H . . 4.930 4.477 4.383 4.532 . 0 0 "[ . 1 . 2]" 1 1178 1 84 LYS HA 1 84 LYS HD2 . . 4.860 4.410 4.145 4.591 . 0 0 "[ . 1 . 2]" 1 1179 1 84 LYS HA 1 84 LYS QD . . 4.180 3.978 3.843 4.069 . 0 0 "[ . 1 . 2]" 1 1180 1 84 LYS HA 1 84 LYS HD3 . . 4.860 4.554 4.213 4.763 . 0 0 "[ . 1 . 2]" 1 1181 1 84 LYS HA 1 84 LYS HG2 . . 3.810 2.523 2.310 2.698 . 0 0 "[ . 1 . 2]" 1 1182 1 84 LYS HA 1 84 LYS HG3 . . 4.060 3.072 2.884 3.233 . 0 0 "[ . 1 . 2]" 1 1183 1 84 LYS HA 1 85 TYR H . . 2.830 2.282 2.166 2.458 . 0 0 "[ . 1 . 2]" 1 1184 1 84 LYS HA 1 85 TYR QB . . 4.810 3.981 3.935 4.035 . 0 0 "[ . 1 . 2]" 1 1185 1 84 LYS HA 1 88 GLN H . . 4.100 3.610 3.346 3.843 . 0 0 "[ . 1 . 2]" 1 1186 1 84 LYS HA 1 89 HIS H . . 4.840 4.285 4.021 4.628 . 0 0 "[ . 1 . 2]" 1 1187 1 84 LYS HA 1 89 HIS HA . . 3.740 2.324 2.018 2.590 . 0 0 "[ . 1 . 2]" 1 1188 1 84 LYS HA 1 90 VAL H . . 3.650 2.840 2.495 3.206 . 0 0 "[ . 1 . 2]" 1 1189 1 84 LYS HA 1 90 VAL MG1 . . 3.770 3.083 2.684 3.643 . 0 0 "[ . 1 . 2]" 1 1190 1 84 LYS HA 1 90 VAL MG2 . . 4.900 3.957 3.657 4.194 . 0 0 "[ . 1 . 2]" 1 1191 1 84 LYS HB2 1 84 LYS HD2 . . 3.900 2.607 2.283 2.939 . 0 0 "[ . 1 . 2]" 1 1192 1 84 LYS HB2 1 84 LYS QD . . 3.410 2.549 2.246 2.852 . 0 0 "[ . 1 . 2]" 1 1193 1 84 LYS HB2 1 84 LYS HD3 . . 3.900 3.604 3.313 3.854 . 0 0 "[ . 1 . 2]" 1 1194 1 84 LYS HB2 1 85 TYR H . . 4.220 3.893 3.356 4.193 . 0 0 "[ . 1 . 2]" 1 1195 1 84 LYS HB2 1 87 GLY H . . 4.520 3.893 3.486 4.261 . 0 0 "[ . 1 . 2]" 1 1196 1 84 LYS HB2 1 88 GLN H . . 4.180 3.871 3.433 4.064 . 0 0 "[ . 1 . 2]" 1 1197 1 84 LYS HB3 1 84 LYS QD . . 3.320 2.352 2.177 2.499 . 0 0 "[ . 1 . 2]" 1 1198 1 84 LYS HB3 1 85 TYR H . . 3.550 2.779 2.370 3.195 . 0 0 "[ . 1 . 2]" 1 1199 1 84 LYS HB3 1 87 GLY H . . 4.260 3.041 2.778 3.268 . 0 0 "[ . 1 . 2]" 1 1200 1 84 LYS HB3 1 88 GLN H . . 3.550 2.238 1.954 2.547 . 0 0 "[ . 1 . 2]" 1 1201 1 84 LYS HB3 1 89 HIS H . . 5.330 4.364 3.856 4.882 . 0 0 "[ . 1 . 2]" 1 1202 1 84 LYS HB3 1 89 HIS HA . . 4.960 3.843 3.378 4.164 . 0 0 "[ . 1 . 2]" 1 1203 1 84 LYS QD 1 87 GLY H . . 4.570 4.205 3.672 4.473 . 0 0 "[ . 1 . 2]" 1 1204 1 84 LYS QD 1 87 GLY QA . . 4.150 3.091 2.637 3.334 . 0 0 "[ . 1 . 2]" 1 1205 1 84 LYS QD 1 89 HIS H . . 5.340 3.963 3.564 4.447 . 0 0 "[ . 1 . 2]" 1 1206 1 84 LYS QE 1 84 LYS HG2 . . 3.580 3.025 2.586 3.290 . 0 0 "[ . 1 . 2]" 1 1207 1 84 LYS QE 1 89 HIS HE1 . . 3.820 3.130 2.387 3.796 . 0 0 "[ . 1 . 2]" 1 1208 1 84 LYS HE2 1 84 LYS HG2 . . 4.130 3.546 2.652 4.121 . 0 0 "[ . 1 . 2]" 1 1209 1 84 LYS HE2 1 84 LYS HG3 . . 3.800 2.977 2.202 3.611 . 0 0 "[ . 1 . 2]" 1 1210 1 84 LYS HE3 1 84 LYS HG2 . . 4.130 3.406 2.723 3.868 . 0 0 "[ . 1 . 2]" 1 1211 1 84 LYS HE3 1 84 LYS HG3 . . 3.800 2.413 2.109 2.942 . 0 0 "[ . 1 . 2]" 1 1212 1 84 LYS HG2 1 85 TYR H . . 4.300 4.091 3.596 4.301 0.001 20 0 "[ . 1 . 2]" 1 1213 1 84 LYS HG2 1 89 HIS H . . 4.600 3.386 2.722 3.695 . 0 0 "[ . 1 . 2]" 1 1214 1 84 LYS HG2 1 89 HIS HA . . 3.620 2.346 2.050 2.647 . 0 0 "[ . 1 . 2]" 1 1215 1 84 LYS HG2 1 90 VAL H . . 4.410 4.201 3.872 4.411 0.001 17 0 "[ . 1 . 2]" 1 1216 1 84 LYS HG3 1 89 HIS H . . 5.500 5.110 4.415 5.458 . 0 0 "[ . 1 . 2]" 1 1217 1 84 LYS HG3 1 89 HIS HA . . 4.210 3.584 3.216 4.053 . 0 0 "[ . 1 . 2]" 1 1218 1 85 TYR H 1 85 TYR HB2 . . 3.730 3.236 3.014 3.391 . 0 0 "[ . 1 . 2]" 1 1219 1 85 TYR H 1 85 TYR QB . . 3.170 2.424 2.273 2.552 . 0 0 "[ . 1 . 2]" 1 1220 1 85 TYR H 1 85 TYR HB3 . . 3.730 2.505 2.323 2.638 . 0 0 "[ . 1 . 2]" 1 1221 1 85 TYR H 1 85 TYR QD . . 4.300 4.215 4.053 4.305 0.005 2 0 "[ . 1 . 2]" 1 1222 1 85 TYR H 1 87 GLY H . . 4.700 3.638 3.292 4.082 . 0 0 "[ . 1 . 2]" 1 1223 1 85 TYR H 1 88 GLN H . . 3.280 2.402 2.160 2.682 . 0 0 "[ . 1 . 2]" 1 1224 1 85 TYR H 1 88 GLN QB . . 4.880 3.455 3.022 4.161 . 0 0 "[ . 1 . 2]" 1 1225 1 85 TYR H 1 89 HIS H . . 5.420 4.609 4.311 4.895 . 0 0 "[ . 1 . 2]" 1 1226 1 85 TYR H 1 89 HIS HA . . 4.040 3.813 3.507 4.018 . 0 0 "[ . 1 . 2]" 1 1227 1 85 TYR H 1 90 VAL H . . 4.480 4.041 3.533 4.376 . 0 0 "[ . 1 . 2]" 1 1228 1 85 TYR H 1 90 VAL MG1 . . 3.520 3.221 2.788 3.482 . 0 0 "[ . 1 . 2]" 1 1229 1 85 TYR HA 1 85 TYR QD . . 3.420 2.415 2.083 2.813 . 0 0 "[ . 1 . 2]" 1 1230 1 85 TYR HA 1 85 TYR QE . . 5.500 4.627 4.431 4.816 . 0 0 "[ . 1 . 2]" 1 1231 1 85 TYR HA 1 86 ARG H . . 3.270 2.194 2.142 2.242 . 0 0 "[ . 1 . 2]" 1 1232 1 85 TYR HA 1 86 ARG HA . . 4.640 4.392 4.366 4.420 . 0 0 "[ . 1 . 2]" 1 1233 1 85 TYR HA 1 87 GLY H . . 4.480 3.908 3.739 4.140 . 0 0 "[ . 1 . 2]" 1 1234 1 85 TYR HA 1 88 GLN H . . 4.710 4.414 4.179 4.636 . 0 0 "[ . 1 . 2]" 1 1235 1 85 TYR QB 1 86 ARG H . . 4.440 3.969 3.874 4.019 . 0 0 "[ . 1 . 2]" 1 1236 1 85 TYR HB2 1 86 ARG H . . 5.320 4.397 4.271 4.508 . 0 0 "[ . 1 . 2]" 1 1237 1 85 TYR HB2 1 90 VAL MG1 . . 3.500 2.771 2.333 3.496 . 0 0 "[ . 1 . 2]" 1 1238 1 85 TYR HB3 1 86 ARG H . . 5.320 4.521 4.426 4.587 . 0 0 "[ . 1 . 2]" 1 1239 1 85 TYR HB3 1 90 VAL MG1 . . 3.500 2.878 2.507 3.313 . 0 0 "[ . 1 . 2]" 1 1240 1 85 TYR QD 1 86 ARG H . . 4.270 3.296 2.753 4.064 . 0 0 "[ . 1 . 2]" 1 1241 1 85 TYR QD 1 86 ARG QB . . 4.590 3.630 3.165 3.978 . 0 0 "[ . 1 . 2]" 1 1242 1 85 TYR QD 1 86 ARG QD . . 4.730 3.845 3.623 4.305 . 0 0 "[ . 1 . 2]" 1 1243 1 85 TYR QD 1 86 ARG HG2 . . 4.750 4.252 3.465 4.698 . 0 0 "[ . 1 . 2]" 1 1244 1 85 TYR QD 1 86 ARG QG . . 4.020 2.783 2.072 3.147 . 0 0 "[ . 1 . 2]" 1 1245 1 85 TYR QD 1 86 ARG HG3 . . 4.750 2.826 2.085 3.205 . 0 0 "[ . 1 . 2]" 1 1246 1 85 TYR QD 1 90 VAL MG1 . . 4.980 3.951 3.460 4.474 . 0 0 "[ . 1 . 2]" 1 1247 1 85 TYR QE 1 86 ARG QB . . 4.550 3.856 3.290 4.277 . 0 0 "[ . 1 . 2]" 1 1248 1 85 TYR QE 1 86 ARG HD2 . . 4.040 3.167 2.145 4.038 . 0 0 "[ . 1 . 2]" 1 1249 1 85 TYR QE 1 86 ARG QD . . 3.490 2.636 2.133 3.240 . 0 0 "[ . 1 . 2]" 1 1250 1 85 TYR QE 1 86 ARG HD3 . . 4.040 3.213 2.335 4.036 . 0 0 "[ . 1 . 2]" 1 1251 1 85 TYR QE 1 86 ARG HG2 . . 4.580 3.970 3.338 4.458 . 0 0 "[ . 1 . 2]" 1 1252 1 85 TYR QE 1 86 ARG QG . . 3.910 2.708 2.086 3.229 . 0 0 "[ . 1 . 2]" 1 1253 1 85 TYR QE 1 86 ARG HG3 . . 4.580 2.766 2.102 3.315 . 0 0 "[ . 1 . 2]" 1 1254 1 86 ARG H 1 86 ARG HG2 . . 4.150 3.549 3.072 4.085 . 0 0 "[ . 1 . 2]" 1 1255 1 86 ARG H 1 86 ARG QG . . 3.620 2.871 2.754 3.077 . 0 0 "[ . 1 . 2]" 1 1256 1 86 ARG H 1 86 ARG HG3 . . 4.150 3.053 2.849 3.244 . 0 0 "[ . 1 . 2]" 1 1257 1 86 ARG H 1 87 GLY H . . 3.810 2.636 2.535 2.734 . 0 0 "[ . 1 . 2]" 1 1258 1 86 ARG HA 1 86 ARG HD2 . . 4.910 4.648 4.215 4.893 . 0 0 "[ . 1 . 2]" 1 1259 1 86 ARG HA 1 86 ARG QD . . 4.250 4.115 3.938 4.253 0.003 14 0 "[ . 1 . 2]" 1 1260 1 86 ARG HA 1 86 ARG HD3 . . 4.910 4.628 4.191 4.916 0.006 4 0 "[ . 1 . 2]" 1 1261 1 86 ARG HA 1 86 ARG HG2 . . 3.840 2.509 2.299 2.741 . 0 0 "[ . 1 . 2]" 1 1262 1 86 ARG HA 1 86 ARG QG . . 3.210 2.399 2.243 2.645 . 0 0 "[ . 1 . 2]" 1 1263 1 86 ARG HA 1 86 ARG HG3 . . 3.840 3.088 2.661 3.484 . 0 0 "[ . 1 . 2]" 1 1264 1 86 ARG HA 1 87 GLY H . . 3.320 2.921 2.810 2.979 . 0 0 "[ . 1 . 2]" 1 1265 1 86 ARG QB 1 87 GLY H . . 4.260 3.787 3.748 3.852 . 0 0 "[ . 1 . 2]" 1 1266 1 86 ARG HB2 1 86 ARG HD2 . . 3.810 3.391 2.422 3.811 0.001 14 0 "[ . 1 . 2]" 1 1267 1 86 ARG HB2 1 86 ARG HD3 . . 3.810 2.840 2.303 3.803 . 0 0 "[ . 1 . 2]" 1 1268 1 86 ARG HB2 1 87 GLY H . . 4.970 4.118 4.028 4.245 . 0 0 "[ . 1 . 2]" 1 1269 1 86 ARG HB3 1 86 ARG HD2 . . 3.810 3.349 2.316 3.789 . 0 0 "[ . 1 . 2]" 1 1270 1 86 ARG HB3 1 86 ARG HD3 . . 3.810 2.983 2.211 3.766 . 0 0 "[ . 1 . 2]" 1 1271 1 86 ARG HB3 1 87 GLY H . . 4.970 4.426 4.292 4.563 . 0 0 "[ . 1 . 2]" 1 1272 1 87 GLY H 1 88 GLN H . . 3.360 2.387 2.197 2.612 . 0 0 "[ . 1 . 2]" 1 1273 1 88 GLN H 1 88 GLN QB . . 3.180 2.926 2.769 3.168 . 0 0 "[ . 1 . 2]" 1 1274 1 88 GLN H 1 88 GLN HG2 . . 4.290 3.470 2.753 4.286 . 0 0 "[ . 1 . 2]" 1 1275 1 88 GLN H 1 88 GLN QG . . 3.470 3.138 2.709 3.471 0.001 13 0 "[ . 1 . 2]" 1 1276 1 88 GLN H 1 88 GLN HG3 . . 4.290 3.951 3.552 4.266 . 0 0 "[ . 1 . 2]" 1 1277 1 88 GLN H 1 89 HIS H . . 4.480 3.941 3.807 4.197 . 0 0 "[ . 1 . 2]" 1 1278 1 88 GLN H 1 89 HIS HA . . 5.050 4.485 4.411 4.639 . 0 0 "[ . 1 . 2]" 1 1279 1 88 GLN HA 1 88 GLN HG2 . . 4.110 2.922 2.305 3.784 . 0 0 "[ . 1 . 2]" 1 1280 1 88 GLN HA 1 88 GLN HG3 . . 4.110 3.535 3.096 3.855 . 0 0 "[ . 1 . 2]" 1 1281 1 88 GLN HA 1 89 HIS H . . 3.030 2.146 2.139 2.157 . 0 0 "[ . 1 . 2]" 1 1282 1 88 GLN QB 1 88 GLN QG . . 2.340 2.057 2.014 2.086 . 0 0 "[ . 1 . 2]" 1 1283 1 88 GLN QB 1 89 HIS H . . 3.520 3.417 3.164 3.521 0.001 16 0 "[ . 1 . 2]" 1 1284 1 89 HIS H 1 89 HIS HB2 . . 3.270 2.267 2.196 2.361 . 0 0 "[ . 1 . 2]" 1 1285 1 89 HIS H 1 89 HIS HB3 . . 3.680 3.540 3.502 3.571 . 0 0 "[ . 1 . 2]" 1 1286 1 89 HIS H 1 89 HIS HD2 . . 3.690 3.003 2.554 3.546 . 0 0 "[ . 1 . 2]" 1 1287 1 89 HIS H 1 90 VAL H . . 4.670 4.502 4.330 4.596 . 0 0 "[ . 1 . 2]" 1 1288 1 89 HIS HA 1 90 VAL H . . 2.790 2.151 2.140 2.185 . 0 0 "[ . 1 . 2]" 1 1289 1 89 HIS HA 1 90 VAL MG1 . . 4.350 3.709 3.491 3.907 . 0 0 "[ . 1 . 2]" 1 1290 1 89 HIS HA 1 90 VAL MG2 . . 4.670 3.737 3.553 3.929 . 0 0 "[ . 1 . 2]" 1 1291 1 89 HIS HB2 1 89 HIS HD2 . . 3.770 2.782 2.693 2.988 . 0 0 "[ . 1 . 2]" 1 1292 1 89 HIS HB2 1 90 VAL H . . 4.660 4.406 4.257 4.535 . 0 0 "[ . 1 . 2]" 1 1293 1 89 HIS HB2 1 93 SER HB2 . . 5.500 5.454 5.324 5.501 0.001 11 0 "[ . 1 . 2]" 1 1294 1 89 HIS HB2 1 93 SER HB3 . . 4.710 3.869 3.777 3.951 . 0 0 "[ . 1 . 2]" 1 1295 1 89 HIS HB3 1 90 VAL H . . 3.940 3.454 3.160 3.814 . 0 0 "[ . 1 . 2]" 1 1296 1 89 HIS HB3 1 93 SER H . . 4.150 3.936 3.655 4.133 . 0 0 "[ . 1 . 2]" 1 1297 1 89 HIS HB3 1 93 SER HB2 . . 4.150 3.764 3.639 3.837 . 0 0 "[ . 1 . 2]" 1 1298 1 89 HIS HB3 1 93 SER HB3 . . 4.080 2.139 2.044 2.223 . 0 0 "[ . 1 . 2]" 1 1299 1 89 HIS HB3 1 93 SER HG . . 4.430 3.684 3.370 3.976 . 0 0 "[ . 1 . 2]" 1 1300 1 89 HIS HE1 1 93 SER HG . . 4.170 3.972 3.611 4.171 0.001 20 0 "[ . 1 . 2]" 1 1301 1 89 HIS HE1 1 94 PRO HB2 . . 5.120 4.802 4.187 5.071 . 0 0 "[ . 1 . 2]" 1 1302 1 89 HIS HE1 1 94 PRO HB3 . . 4.310 3.058 2.457 3.311 . 0 0 "[ . 1 . 2]" 1 1303 1 89 HIS HE1 1 94 PRO QD . . 4.260 3.159 2.555 3.697 . 0 0 "[ . 1 . 2]" 1 1304 1 89 HIS HE1 1 94 PRO QG . . 4.210 3.783 3.231 4.204 . 0 0 "[ . 1 . 2]" 1 1305 1 90 VAL H 1 90 VAL HB . . 4.130 3.621 3.611 3.644 . 0 0 "[ . 1 . 2]" 1 1306 1 90 VAL H 1 90 VAL MG1 . . 3.090 2.200 2.021 2.690 . 0 0 "[ . 1 . 2]" 1 1307 1 90 VAL H 1 90 VAL MG2 . . 3.260 2.030 1.907 2.228 . 0 0 "[ . 1 . 2]" 1 1308 1 90 VAL H 1 93 SER H . . 5.440 5.053 4.711 5.286 . 0 0 "[ . 1 . 2]" 1 1309 1 90 VAL H 1 93 SER HB2 . . 4.050 3.163 2.841 3.507 . 0 0 "[ . 1 . 2]" 1 1310 1 90 VAL H 1 93 SER HB3 . . 3.930 2.918 2.449 3.252 . 0 0 "[ . 1 . 2]" 1 1311 1 90 VAL H 1 93 SER HG . . 4.720 3.492 2.735 4.125 . 0 0 "[ . 1 . 2]" 1 1312 1 90 VAL HA 1 90 VAL MG1 . . 3.150 2.371 2.169 2.447 . 0 0 "[ . 1 . 2]" 1 1313 1 90 VAL HA 1 91 THR H . . 2.810 2.583 2.500 2.640 . 0 0 "[ . 1 . 2]" 1 1314 1 90 VAL HA 1 91 THR HA . . 4.630 4.309 4.299 4.318 . 0 0 "[ . 1 . 2]" 1 1315 1 90 VAL HB 1 91 THR H . . 2.940 2.037 1.917 2.180 . 0 0 "[ . 1 . 2]" 1 1316 1 90 VAL HB 1 91 THR HB . . 4.520 4.096 3.920 4.294 . 0 0 "[ . 1 . 2]" 1 1317 1 90 VAL MG1 1 91 THR H . . 3.610 3.556 3.431 3.607 . 0 0 "[ . 1 . 2]" 1 1318 1 90 VAL MG2 1 91 THR H . . 3.400 3.025 2.776 3.259 . 0 0 "[ . 1 . 2]" 1 1319 1 90 VAL MG2 1 91 THR HB . . 4.470 4.175 3.835 4.455 . 0 0 "[ . 1 . 2]" 1 1320 1 90 VAL MG2 1 93 SER H . . 4.110 3.809 3.249 4.066 . 0 0 "[ . 1 . 2]" 1 1321 1 90 VAL MG2 1 93 SER HA . . 5.030 3.969 3.768 4.339 . 0 0 "[ . 1 . 2]" 1 1322 1 90 VAL MG2 1 93 SER HB2 . . 3.560 1.907 1.774 2.082 . 0 0 "[ . 1 . 2]" 1 1323 1 90 VAL MG2 1 93 SER HB3 . . 3.950 2.863 2.591 3.052 . 0 0 "[ . 1 . 2]" 1 1324 1 90 VAL MG2 1 95 PHE QE . . 3.740 2.571 2.259 2.976 . 0 0 "[ . 1 . 2]" 1 1325 1 90 VAL MG2 1 95 PHE HZ . . 4.860 2.532 1.951 3.568 . 0 0 "[ . 1 . 2]" 1 1326 1 91 THR H 1 91 THR HB . . 3.040 2.653 2.346 2.804 . 0 0 "[ . 1 . 2]" 1 1327 1 91 THR H 1 91 THR MG . . 3.790 3.693 2.489 3.770 . 0 0 "[ . 1 . 2]" 1 1328 1 91 THR HA 1 91 THR MG . . 3.290 2.348 2.148 3.192 . 0 0 "[ . 1 . 2]" 1 1329 1 91 THR HA 1 92 GLY H . . 2.810 2.185 2.145 2.265 . 0 0 "[ . 1 . 2]" 1 1330 1 91 THR HA 1 92 GLY HA2 . . 4.610 4.402 4.385 4.426 . 0 0 "[ . 1 . 2]" 1 1331 1 91 THR HA 1 92 GLY QA . . 4.050 3.943 3.911 3.986 . 0 0 "[ . 1 . 2]" 1 1332 1 91 THR HA 1 92 GLY HA3 . . 4.610 4.452 4.395 4.535 . 0 0 "[ . 1 . 2]" 1 1333 1 91 THR HA 1 93 SER H . . 3.860 3.617 3.335 3.845 . 0 0 "[ . 1 . 2]" 1 1334 1 91 THR HB 1 92 GLY H . . 4.190 4.044 3.688 4.190 . 16 0 "[ . 1 . 2]" 1 1335 1 91 THR MG 1 92 GLY H . . 3.700 2.452 2.078 3.588 . 0 0 "[ . 1 . 2]" 1 1336 1 92 GLY H 1 93 SER H . . 3.500 2.673 2.308 3.047 . 0 0 "[ . 1 . 2]" 1 1337 1 92 GLY QA 1 95 PHE QE . . 3.740 2.751 2.347 3.025 . 0 0 "[ . 1 . 2]" 1 1338 1 92 GLY HA2 1 95 PHE QE . . 4.610 4.328 3.925 4.523 . 0 0 "[ . 1 . 2]" 1 1339 1 92 GLY HA3 1 95 PHE QE . . 4.610 2.783 2.365 3.075 . 0 0 "[ . 1 . 2]" 1 1340 1 93 SER H 1 93 SER HB2 . . 3.440 2.709 2.597 2.817 . 0 0 "[ . 1 . 2]" 1 1341 1 93 SER H 1 93 SER HB3 . . 3.230 2.930 2.843 2.983 . 0 0 "[ . 1 . 2]" 1 1342 1 93 SER H 1 93 SER HG . . 4.710 4.654 4.563 4.721 0.011 15 0 "[ . 1 . 2]" 1 1343 1 93 SER H 1 94 PRO HA . . 5.360 4.805 4.800 4.808 . 0 0 "[ . 1 . 2]" 1 1344 1 93 SER HA 1 94 PRO HA . . 3.440 2.213 2.199 2.217 . 0 0 "[ . 1 . 2]" 1 1345 1 93 SER HA 1 94 PRO HB2 . . 5.010 4.307 4.301 4.309 . 0 0 "[ . 1 . 2]" 1 1346 1 93 SER HA 1 94 PRO HB3 . . 4.860 4.353 4.342 4.357 . 0 0 "[ . 1 . 2]" 1 1347 1 93 SER HA 1 95 PHE H . . 3.910 3.270 2.858 3.629 . 0 0 "[ . 1 . 2]" 1 1348 1 93 SER HA 1 95 PHE QD . . 4.080 3.634 3.344 3.768 . 0 0 "[ . 1 . 2]" 1 1349 1 93 SER HA 1 95 PHE QE . . 4.590 3.880 3.595 4.156 . 0 0 "[ . 1 . 2]" 1 1350 1 93 SER HB2 1 94 PRO HA . . 4.460 3.804 3.772 3.808 . 0 0 "[ . 1 . 2]" 1 1351 1 93 SER HB2 1 95 PHE QD . . 4.660 4.466 4.089 4.659 . 0 0 "[ . 1 . 2]" 1 1352 1 93 SER HB2 1 95 PHE QE . . 3.970 3.345 2.857 3.586 . 0 0 "[ . 1 . 2]" 1 1353 1 93 SER HB3 1 94 PRO HA . . 4.960 3.471 3.449 3.567 . 0 0 "[ . 1 . 2]" 1 1354 1 93 SER HB3 1 95 PHE QE . . 5.070 4.727 4.334 4.997 . 0 0 "[ . 1 . 2]" 1 1355 1 93 SER HG 1 94 PRO HA . . 4.290 2.480 2.027 3.057 . 0 0 "[ . 1 . 2]" 1 1356 1 94 PRO HA 1 95 PHE H . . 3.200 2.414 2.252 2.609 . 0 0 "[ . 1 . 2]" 1 1357 1 94 PRO HA 1 95 PHE QD . . 4.450 3.738 3.441 4.015 . 0 0 "[ . 1 . 2]" 1 1358 1 94 PRO HB2 1 95 PHE H . . 3.930 2.590 2.136 3.035 . 0 0 "[ . 1 . 2]" 1 1359 1 94 PRO HB3 1 95 PHE H . . 4.280 3.447 3.234 3.686 . 0 0 "[ . 1 . 2]" 1 1360 1 94 PRO QG 1 95 PHE H . . 4.970 4.143 3.807 4.427 . 0 0 "[ . 1 . 2]" 1 1361 1 95 PHE H 1 95 PHE HB2 . . 4.160 2.533 2.401 2.677 . 0 0 "[ . 1 . 2]" 1 1362 1 95 PHE H 1 95 PHE QB . . 3.530 2.491 2.369 2.625 . 0 0 "[ . 1 . 2]" 1 1363 1 95 PHE H 1 95 PHE HB3 . . 4.160 3.691 3.615 3.793 . 0 0 "[ . 1 . 2]" 1 1364 1 95 PHE H 1 95 PHE QD . . 3.550 2.729 2.402 2.945 . 0 0 "[ . 1 . 2]" 1 1365 1 95 PHE HA 1 95 PHE QD . . 3.870 2.785 2.657 2.969 . 0 0 "[ . 1 . 2]" 1 1366 1 95 PHE HA 1 96 GLN H . . 3.110 2.175 2.140 2.309 . 0 0 "[ . 1 . 2]" 1 1367 1 95 PHE QB 1 96 GLN H . . 3.480 3.219 2.624 3.487 0.007 20 0 "[ . 1 . 2]" 1 1368 1 95 PHE HB2 1 96 GLN H . . 4.340 4.211 3.814 4.363 0.023 6 0 "[ . 1 . 2]" 1 1369 1 95 PHE HB3 1 96 GLN H . . 4.340 3.349 2.670 3.670 . 0 0 "[ . 1 . 2]" 1 1370 1 95 PHE QD 1 96 GLN H . . 4.410 4.149 3.608 4.416 0.006 6 0 "[ . 1 . 2]" 1 1371 1 96 GLN H 1 96 GLN HB2 . . 3.730 2.427 2.331 2.606 . 0 0 "[ . 1 . 2]" 1 1372 1 96 GLN H 1 96 GLN QB . . 3.120 2.355 2.246 2.554 . 0 0 "[ . 1 . 2]" 1 1373 1 96 GLN H 1 96 GLN HB3 . . 3.730 3.266 2.846 3.663 . 0 0 "[ . 1 . 2]" 1 1374 1 96 GLN H 1 96 GLN HG2 . . 4.660 4.478 4.199 4.620 . 0 0 "[ . 1 . 2]" 1 1375 1 96 GLN H 1 96 GLN QG . . 3.890 3.640 2.947 3.953 0.063 20 0 "[ . 1 . 2]" 1 1376 1 96 GLN H 1 96 GLN HG3 . . 4.660 3.893 3.010 4.369 . 0 0 "[ . 1 . 2]" 1 1377 1 96 GLN HA 1 96 GLN HG2 . . 4.170 2.494 2.334 2.843 . 0 0 "[ . 1 . 2]" 1 1378 1 96 GLN HA 1 96 GLN QG . . 3.640 2.285 2.235 2.366 . 0 0 "[ . 1 . 2]" 1 1379 1 96 GLN HA 1 96 GLN HG3 . . 4.170 2.691 2.358 2.859 . 0 0 "[ . 1 . 2]" 1 1380 1 96 GLN HA 1 97 PHE H . . 3.020 2.172 2.147 2.216 . 0 0 "[ . 1 . 2]" 1 1381 1 96 GLN QB 1 97 PHE H . . 3.730 3.359 2.979 3.665 . 0 0 "[ . 1 . 2]" 1 1382 1 96 GLN HB2 1 97 PHE H . . 4.590 4.339 4.217 4.416 . 0 0 "[ . 1 . 2]" 1 1383 1 96 GLN HB3 1 97 PHE H . . 4.590 3.512 3.046 3.915 . 0 0 "[ . 1 . 2]" 1 1384 1 96 GLN HG2 1 97 PHE H . . 4.740 3.261 2.433 4.010 . 0 0 "[ . 1 . 2]" 1 1385 1 96 GLN HG3 1 97 PHE H . . 4.740 4.286 3.369 4.734 . 0 0 "[ . 1 . 2]" 1 1386 1 97 PHE H 1 97 PHE HB2 . . 4.200 3.964 3.917 3.993 . 0 0 "[ . 1 . 2]" 1 1387 1 97 PHE H 1 97 PHE HB3 . . 4.200 3.300 3.186 3.403 . 0 0 "[ . 1 . 2]" 1 1388 1 97 PHE H 1 97 PHE QD . . 4.200 2.952 2.459 3.445 . 0 0 "[ . 1 . 2]" 1 1389 1 97 PHE HA 1 98 THR H . . 3.110 2.222 2.170 2.359 . 0 0 "[ . 1 . 2]" 1 1390 1 97 PHE QB 1 98 THR H . . 3.590 2.905 2.511 3.071 . 0 0 "[ . 1 . 2]" 1 1391 1 97 PHE HB2 1 98 THR H . . 4.180 2.971 2.545 3.163 . 0 0 "[ . 1 . 2]" 1 1392 1 97 PHE HB3 1 98 THR H . . 4.180 4.112 3.845 4.184 0.004 11 0 "[ . 1 . 2]" 1 1393 1 97 PHE QD 1 98 THR H . . 4.670 3.681 3.225 4.142 . 0 0 "[ . 1 . 2]" 1 1394 1 98 THR H 1 98 THR HB . . 3.320 2.601 2.530 2.718 . 0 0 "[ . 1 . 2]" 1 1395 1 98 THR H 1 98 THR MG . . 4.230 3.655 2.162 3.843 . 0 0 "[ . 1 . 2]" 1 1396 1 98 THR HA 1 98 THR MG . . 3.420 2.398 2.139 3.199 . 0 0 "[ . 1 . 2]" 1 1397 1 98 THR HA 1 99 VAL H . . 2.910 2.189 2.144 2.249 . 0 0 "[ . 1 . 2]" 1 1398 1 98 THR HA 1 99 VAL HB . . 4.930 4.765 4.624 4.868 . 0 0 "[ . 1 . 2]" 1 1399 1 98 THR HA 1 99 VAL MG2 . . 4.430 3.434 3.246 3.609 . 0 0 "[ . 1 . 2]" 1 1400 1 98 THR HB 1 99 VAL H . . 4.310 4.028 3.787 4.245 . 0 0 "[ . 1 . 2]" 1 1401 1 98 THR MG 1 99 VAL H . . 3.530 2.461 1.890 3.528 . 0 0 "[ . 1 . 2]" 1 1402 1 99 VAL H 1 99 VAL HB . . 3.240 2.686 2.596 2.802 . 0 0 "[ . 1 . 2]" 1 1403 1 99 VAL H 1 99 VAL MG1 . . 4.220 3.847 3.775 3.900 . 0 0 "[ . 1 . 2]" 1 1404 1 99 VAL H 1 99 VAL MG2 . . 3.520 2.421 2.049 2.743 . 0 0 "[ . 1 . 2]" 1 1405 1 99 VAL H 1 100 GLY H . . 4.600 4.541 4.494 4.608 0.008 15 0 "[ . 1 . 2]" 1 1406 1 99 VAL HA 1 99 VAL MG1 . . 3.250 2.265 2.194 2.441 . 0 0 "[ . 1 . 2]" 1 1407 1 99 VAL HA 1 99 VAL MG2 . . 3.480 2.452 2.360 2.543 . 0 0 "[ . 1 . 2]" 1 1408 1 99 VAL HA 1 100 GLY H . . 2.930 2.330 2.218 2.426 . 0 0 "[ . 1 . 2]" 1 1409 1 99 VAL HB 1 100 GLY H . . 4.750 3.598 3.372 3.964 . 0 0 "[ . 1 . 2]" 1 1410 1 99 VAL MG1 1 100 GLY H . . 3.580 1.980 1.805 2.314 . 0 0 "[ . 1 . 2]" 1 1411 1 99 VAL MG1 1 100 GLY HA2 . . 4.760 3.709 3.223 4.005 . 0 0 "[ . 1 . 2]" 1 1412 1 99 VAL MG1 1 100 GLY HA3 . . 4.720 3.906 3.597 4.109 . 0 0 "[ . 1 . 2]" 1 1413 1 99 VAL MG1 1 101 PRO HA . . 5.320 4.528 4.313 4.702 . 0 0 "[ . 1 . 2]" 1 1414 1 99 VAL MG2 1 100 GLY H . . 4.310 3.944 3.823 4.091 . 0 0 "[ . 1 . 2]" 1 1415 1 100 GLY H 1 101 PRO HD2 . . 4.980 4.825 4.790 4.839 . 0 0 "[ . 1 . 2]" 1 1416 1 100 GLY H 1 101 PRO QD . . 4.380 4.325 4.210 4.373 . 0 0 "[ . 1 . 2]" 1 1417 1 100 GLY H 1 101 PRO HD3 . . 4.980 4.890 4.666 4.999 0.019 6 0 "[ . 1 . 2]" 1 1418 1 100 GLY HA2 1 101 PRO HD2 . . 3.370 2.284 2.215 2.409 . 0 0 "[ . 1 . 2]" 1 1419 1 100 GLY HA2 1 101 PRO HD3 . . 3.370 2.266 2.255 2.302 . 0 0 "[ . 1 . 2]" 1 1420 1 100 GLY HA2 1 101 PRO QG . . 4.640 3.931 3.892 4.006 . 0 0 "[ . 1 . 2]" 1 1421 1 100 GLY HA3 1 101 PRO HD2 . . 3.940 2.757 2.620 2.836 . 0 0 "[ . 1 . 2]" 1 1422 1 100 GLY HA3 1 101 PRO QD . . 3.090 2.674 2.549 2.746 . 0 0 "[ . 1 . 2]" 1 1423 1 100 GLY HA3 1 101 PRO HD3 . . 3.940 3.605 3.493 3.669 . 0 0 "[ . 1 . 2]" 1 1424 1 101 PRO HA 1 102 LEU H . . 2.850 2.458 2.217 2.670 . 0 0 "[ . 1 . 2]" 1 1425 1 101 PRO HA 1 102 LEU HA . . 4.510 4.367 4.307 4.496 . 0 0 "[ . 1 . 2]" 1 1426 1 101 PRO QB 1 102 LEU H . . 3.200 2.432 1.989 3.014 . 0 0 "[ . 1 . 2]" 1 1427 1 101 PRO HB2 1 102 LEU H . . 3.790 2.498 2.009 3.170 . 0 0 "[ . 1 . 2]" 1 1428 1 101 PRO HB3 1 102 LEU H . . 3.790 3.408 3.185 3.767 . 0 0 "[ . 1 . 2]" 1 1429 1 102 LEU H 1 102 LEU QB . . 2.940 2.354 2.161 2.933 . 0 0 "[ . 1 . 2]" 1 1430 1 102 LEU H 1 102 LEU QD . . 4.050 3.206 1.857 3.831 . 0 0 "[ . 1 . 2]" 1 1431 1 102 LEU H 1 102 LEU HG . . 4.610 3.805 2.165 4.584 . 0 0 "[ . 1 . 2]" 1 1432 1 102 LEU HA 1 102 LEU MD1 . . 4.590 3.320 2.113 4.082 . 0 0 "[ . 1 . 2]" 1 1433 1 102 LEU HA 1 102 LEU QD . . 3.920 2.682 1.930 3.392 . 0 0 "[ . 1 . 2]" 1 1434 1 102 LEU HA 1 102 LEU MD2 . . 4.590 3.225 1.957 4.103 . 0 0 "[ . 1 . 2]" 1 1435 1 102 LEU HA 1 102 LEU HG . . 4.090 3.011 2.302 3.721 . 0 0 "[ . 1 . 2]" 1 1436 1 102 LEU HA 1 103 GLY H . . 3.050 2.268 2.143 2.546 . 0 0 "[ . 1 . 2]" 1 1437 1 102 LEU QB 1 102 LEU MD1 . . 3.240 2.074 1.962 2.214 . 0 0 "[ . 1 . 2]" 1 1438 1 102 LEU QB 1 102 LEU QD . . 2.810 1.860 1.780 1.980 . 0 0 "[ . 1 . 2]" 1 1439 1 102 LEU QB 1 102 LEU MD2 . . 3.240 2.114 1.963 2.364 . 0 0 "[ . 1 . 2]" 1 1440 1 102 LEU QB 1 103 GLY H . . 3.860 3.140 2.306 3.860 . 0 0 "[ . 1 . 2]" 1 1441 1 102 LEU QD 1 103 GLY H . . 4.340 2.996 2.196 4.142 . 0 0 "[ . 1 . 2]" 1 1442 1 102 LEU MD1 1 103 GLY H . . 5.150 3.826 2.207 5.010 . 0 0 "[ . 1 . 2]" 1 1443 1 102 LEU MD2 1 103 GLY H . . 5.150 3.689 2.423 4.934 . 0 0 "[ . 1 . 2]" 1 1444 1 103 GLY H 1 104 GLU H . . 4.850 3.935 2.107 4.564 . 0 0 "[ . 1 . 2]" 1 1445 1 104 GLU H 1 104 GLU QB . . 3.500 2.497 2.192 3.035 . 0 0 "[ . 1 . 2]" 1 1446 1 104 GLU H 1 104 GLU QG . . 4.670 3.539 2.011 4.411 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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