NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
523394 | 2lky | 18016 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lky 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 1713 _Distance_constraint_stats_list.Viol_count 1555 _Distance_constraint_stats_list.Viol_total 421.153 _Distance_constraint_stats_list.Viol_max 0.594 _Distance_constraint_stats_list.Viol_rms 0.0135 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0009 _Distance_constraint_stats_list.Viol_average_violations_only 0.0159 _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 4 SER 0.000 0.000 . 0 "[ . 1 . ]" 1 5 MET 0.197 0.034 17 0 "[ . 1 . ]" 1 6 VAL 0.545 0.026 4 0 "[ . 1 . ]" 1 7 ASN 0.524 0.026 4 0 "[ . 1 . ]" 1 8 ALA 0.009 0.006 10 0 "[ . 1 . ]" 1 9 PHE 1.129 0.367 12 0 "[ . 1 . ]" 1 10 LEU 0.285 0.016 12 0 "[ . 1 . ]" 1 11 ALA 0.112 0.012 15 0 "[ . 1 . ]" 1 12 LYS 0.109 0.042 13 0 "[ . 1 . ]" 1 13 ILE 0.114 0.042 13 0 "[ . 1 . ]" 1 14 ALA 0.146 0.019 8 0 "[ . 1 . ]" 1 15 ALA 0.022 0.007 12 0 "[ . 1 . ]" 1 16 TRP 0.287 0.016 4 0 "[ . 1 . ]" 1 17 LEU 0.377 0.016 4 0 "[ . 1 . ]" 1 18 ASN 0.225 0.023 9 0 "[ . 1 . ]" 1 19 ALA 0.015 0.007 7 0 "[ . 1 . ]" 1 20 GLY 0.012 0.005 9 0 "[ . 1 . ]" 1 21 TYR 1.375 0.512 15 1 "[ . 1 + ]" 1 22 PRO 0.013 0.004 5 0 "[ . 1 . ]" 1 23 GLU 0.005 0.003 6 0 "[ . 1 . ]" 1 24 GLY 0.088 0.014 17 0 "[ . 1 . ]" 1 25 VAL 1.114 0.091 15 0 "[ . 1 . ]" 1 26 PRO 12.824 0.594 4 5 "[* *+. * - ]" 1 27 GLY 0.010 0.004 4 0 "[ . 1 . ]" 1 28 PRO 0.085 0.010 10 0 "[ . 1 . ]" 1 29 ASP 6.769 0.594 4 5 "[* *+. - * ]" 1 30 ARG 6.029 0.541 15 1 "[ . 1 + ]" 1 31 VAL 0.500 0.023 4 0 "[ . 1 . ]" 1 32 PRO 0.088 0.008 14 0 "[ . 1 . ]" 1 33 LEU 0.262 0.015 15 0 "[ . 1 . ]" 1 34 LEU 0.228 0.015 8 0 "[ . 1 . ]" 1 35 ALA 0.190 0.015 8 0 "[ . 1 . ]" 1 36 LEU 0.292 0.021 9 0 "[ . 1 . ]" 1 37 LEU 0.113 0.012 3 0 "[ . 1 . ]" 1 38 THR 0.249 0.025 17 0 "[ . 1 . ]" 1 39 ARG 0.300 0.025 17 0 "[ . 1 . ]" 1 40 ARG 0.590 0.030 16 0 "[ . 1 . ]" 1 41 LEU 1.179 0.367 12 0 "[ . 1 . ]" 1 42 THR 0.081 0.014 4 0 "[ . 1 . ]" 1 43 ASN 0.099 0.015 4 0 "[ . 1 . ]" 1 44 ASP 0.060 0.013 17 0 "[ . 1 . ]" 1 45 GLU 0.152 0.014 4 0 "[ . 1 . ]" 1 46 ILE 0.266 0.015 4 0 "[ . 1 . ]" 1 47 LYS 0.432 0.018 8 0 "[ . 1 . ]" 1 48 ALA 0.016 0.005 6 0 "[ . 1 . ]" 1 49 ILE 0.211 0.017 1 0 "[ . 1 . ]" 1 50 ALA 0.128 0.014 12 0 "[ . 1 . ]" 1 51 GLU 0.376 0.015 3 0 "[ . 1 . ]" 1 52 ASP 0.093 0.015 3 0 "[ . 1 . ]" 1 53 LEU 0.215 0.019 8 0 "[ . 1 . ]" 1 54 GLU 0.134 0.015 8 0 "[ . 1 . ]" 1 55 LYS 0.003 0.002 14 0 "[ . 1 . ]" 1 56 ARG 0.015 0.006 8 0 "[ . 1 . ]" 1 57 ALA 0.003 0.002 2 0 "[ . 1 . ]" 1 59 PHE 0.003 0.002 2 0 "[ . 1 . ]" 1 60 ASP 0.027 0.020 9 0 "[ . 1 . ]" 1 61 HIS 0.007 0.007 15 0 "[ . 1 . ]" 1 62 ILE 0.209 0.020 6 0 "[ . 1 . ]" 1 63 ASP 0.049 0.020 6 0 "[ . 1 . ]" 1 64 ILE 0.802 0.023 14 0 "[ . 1 . ]" 1 65 GLY 0.131 0.018 3 0 "[ . 1 . ]" 1 66 VAL 0.016 0.006 16 0 "[ . 1 . ]" 1 67 LEU 0.429 0.023 14 0 "[ . 1 . ]" 1 68 ILE 0.081 0.011 11 0 "[ . 1 . ]" 1 69 THR 0.141 0.013 17 0 "[ . 1 . ]" 1 70 GLN 0.355 0.014 8 0 "[ . 1 . ]" 1 71 MET 0.288 0.012 17 0 "[ . 1 . ]" 1 72 THR 0.242 0.018 1 0 "[ . 1 . ]" 1 73 ASP 0.289 0.018 1 0 "[ . 1 . ]" 1 74 GLU 0.100 0.015 17 0 "[ . 1 . ]" 1 75 MET 0.232 0.017 15 0 "[ . 1 . ]" 1 76 PRO 0.676 0.023 4 0 "[ . 1 . ]" 1 77 ARG 0.374 0.031 13 0 "[ . 1 . ]" 1 78 GLU 0.253 0.031 13 0 "[ . 1 . ]" 1 79 GLU 0.057 0.016 7 0 "[ . 1 . ]" 1 80 ASP 0.148 0.013 6 0 "[ . 1 . ]" 1 81 ILE 0.198 0.012 4 0 "[ . 1 . ]" 1 82 GLU 0.157 0.027 6 0 "[ . 1 . ]" 1 83 ARG 0.006 0.002 12 0 "[ . 1 . ]" 1 84 VAL 0.045 0.008 17 0 "[ . 1 . ]" 1 85 ARG 0.318 0.017 12 0 "[ . 1 . ]" 1 86 ARG 0.248 0.021 9 0 "[ . 1 . ]" 1 87 HIS 0.098 0.011 13 0 "[ . 1 . ]" 1 88 LEU 0.420 0.017 12 0 "[ . 1 . ]" 1 89 ALA 0.008 0.003 17 0 "[ . 1 . ]" 1 90 LEU 0.094 0.011 16 0 "[ . 1 . ]" 1 91 GLN 0.120 0.020 7 0 "[ . 1 . ]" 1 92 GLY 0.094 0.011 16 0 "[ . 1 . ]" 1 93 TRP 0.185 0.010 2 0 "[ . 1 . ]" 1 94 PRO 0.060 0.010 6 0 "[ . 1 . ]" 1 95 LEU 0.304 0.018 14 0 "[ . 1 . ]" 1 96 ASP 0.027 0.006 1 0 "[ . 1 . ]" 1 97 ASP 0.185 0.029 16 0 "[ . 1 . ]" 1 98 PRO 0.254 0.029 16 0 "[ . 1 . ]" 1 99 ARG 0.573 0.033 2 0 "[ . 1 . ]" 1 100 ASP 0.488 0.033 2 0 "[ . 1 . ]" 1 101 GLY 0.072 0.017 15 0 "[ . 1 . ]" 1 102 GLU 0.151 0.031 1 0 "[ . 1 . ]" 1 103 GLU 0.261 0.038 14 0 "[ . 1 . ]" 1 104 PRO 0.175 0.038 14 0 "[ . 1 . ]" 1 105 ASP 0.012 0.012 12 0 "[ . 1 . ]" 1 106 GLY 0.045 0.017 14 0 "[ . 1 . ]" 1 107 GLU 0.043 0.017 14 0 "[ . 1 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 5 MET HB3 1 6 VAL H 4.560 . 4.610 3.488 1.973 4.420 . 0 0 "[ . 1 . ]" 1 2 1 5 MET HB2 1 6 VAL H 4.560 . 4.610 3.849 2.072 4.611 0.001 10 0 "[ . 1 . ]" 1 3 1 5 MET HA 1 6 VAL MG2 4.850 . 4.900 4.376 3.183 4.907 0.007 12 0 "[ . 1 . ]" 1 4 1 7 ASN HB3 1 8 ALA H 4.480 . 4.520 2.941 2.463 3.767 . 0 0 "[ . 1 . ]" 1 5 1 7 ASN HB3 1 10 LEU H 4.790 . 4.840 2.892 1.943 3.386 . 0 0 "[ . 1 . ]" 1 6 1 6 VAL HB 1 7 ASN HB2 4.310 . 4.350 3.615 3.434 3.873 . 0 0 "[ . 1 . ]" 1 7 1 6 VAL HB 1 7 ASN HB3 5.280 . 5.330 4.665 3.414 5.225 . 0 0 "[ . 1 . ]" 1 8 1 7 ASN HB2 1 10 LEU HB2 4.860 . 4.910 3.023 2.617 3.381 . 0 0 "[ . 1 . ]" 1 9 1 7 ASN HB2 1 8 ALA MB 5.500 . 5.550 5.336 5.150 5.476 . 0 0 "[ . 1 . ]" 1 10 1 7 ASN HB2 1 48 ALA MB 5.500 . 5.550 4.670 4.266 5.040 . 0 0 "[ . 1 . ]" 1 11 1 7 ASN HB3 1 8 ALA MB 4.800 . 4.850 4.194 3.765 4.851 0.001 8 0 "[ . 1 . ]" 1 12 1 7 ASN HB2 1 10 LEU HB3 4.860 . 4.910 4.534 4.168 4.916 0.006 8 0 "[ . 1 . ]" 1 13 1 7 ASN HB2 1 10 LEU HG 3.970 . 4.010 3.364 3.022 4.012 0.002 8 0 "[ . 1 . ]" 1 14 1 7 ASN HB3 1 10 LEU HG 4.800 . 4.850 4.371 3.127 4.864 0.014 12 0 "[ . 1 . ]" 1 15 1 7 ASN HB3 1 10 LEU MD2 4.580 . 4.630 2.327 1.791 2.747 0.009 5 0 "[ . 1 . ]" 1 16 1 7 ASN HB2 1 10 LEU MD2 4.580 . 4.630 1.997 1.784 2.588 0.016 12 0 "[ . 1 . ]" 1 17 1 9 PHE HA 1 12 LYS H 4.960 . 5.010 3.606 3.508 3.795 . 0 0 "[ . 1 . ]" 1 18 1 9 PHE HA 1 9 PHE QD 4.340 . 4.380 2.867 2.600 3.242 . 0 0 "[ . 1 . ]" 1 19 1 7 ASN HB3 1 9 PHE HA 5.500 . 5.550 5.417 5.077 5.564 0.014 6 0 "[ . 1 . ]" 1 20 1 8 ALA MB 1 9 PHE HA 4.940 . 4.990 3.818 3.762 3.862 . 0 0 "[ . 1 . ]" 1 21 1 8 ALA H 1 8 ALA MB 3.150 . 3.180 2.233 2.222 2.246 . 0 0 "[ . 1 . ]" 1 22 1 8 ALA MB 1 9 PHE H 3.210 . 3.240 2.383 2.227 2.556 . 0 0 "[ . 1 . ]" 1 23 1 10 LEU HA 1 13 ILE H 4.630 . 4.680 3.247 3.104 3.426 . 0 0 "[ . 1 . ]" 1 24 1 10 LEU HA 1 10 LEU MD1 3.420 . 3.450 1.967 1.897 2.071 . 0 0 "[ . 1 . ]" 1 25 1 10 LEU HA 1 13 ILE MD 4.740 . 4.790 4.338 4.021 4.768 . 0 0 "[ . 1 . ]" 1 26 1 9 PHE QD 1 10 LEU HG 5.500 . 5.550 4.623 4.400 4.879 . 0 0 "[ . 1 . ]" 1 27 1 10 LEU HG 1 45 GLU HG2 4.200 . 4.240 3.702 3.397 4.030 . 0 0 "[ . 1 . ]" 1 28 1 6 VAL HB 1 10 LEU HG 3.660 . 3.700 3.195 2.795 3.705 0.005 10 0 "[ . 1 . ]" 1 29 1 11 ALA H 1 11 ALA MB 2.710 . 2.740 2.235 2.224 2.246 . 0 0 "[ . 1 . ]" 1 30 1 11 ALA MB 1 12 LYS H 3.010 . 3.040 2.525 2.379 2.645 . 0 0 "[ . 1 . ]" 1 31 1 6 VAL MG2 1 11 ALA MB 2.960 . 2.990 2.298 2.117 2.547 . 0 0 "[ . 1 . ]" 1 32 1 11 ALA HA 1 15 ALA H 4.600 . 4.650 4.000 3.857 4.124 . 0 0 "[ . 1 . ]" 1 33 1 6 VAL MG2 1 11 ALA HA 3.880 . 3.920 2.514 2.334 2.754 . 0 0 "[ . 1 . ]" 1 34 1 11 ALA HA 1 49 ILE MD 4.620 . 4.670 4.413 4.169 4.675 0.005 1 0 "[ . 1 . ]" 1 35 1 12 LYS HA 1 12 LYS HG2 4.140 . 4.180 3.445 2.462 3.895 . 0 0 "[ . 1 . ]" 1 36 1 12 LYS HA 1 12 LYS HG3 4.140 . 4.180 2.908 2.425 3.779 . 0 0 "[ . 1 . ]" 1 37 1 12 LYS HB2 1 13 ILE H 4.680 . 4.730 3.517 2.563 4.027 . 0 0 "[ . 1 . ]" 1 38 1 12 LYS HB3 1 13 ILE H 4.680 . 4.730 2.828 2.377 3.852 . 0 0 "[ . 1 . ]" 1 39 1 12 LYS H 1 12 LYS HG2 5.500 . 5.550 4.170 2.045 4.634 . 0 0 "[ . 1 . ]" 1 40 1 12 LYS H 1 12 LYS HG3 5.500 . 5.550 4.209 2.547 4.528 . 0 0 "[ . 1 . ]" 1 41 1 13 ILE HA 1 16 TRP H 4.090 . 4.130 3.660 3.416 3.876 . 0 0 "[ . 1 . ]" 1 42 1 13 ILE HA 1 16 TRP HE3 3.520 . 3.560 2.108 1.808 2.394 . 0 0 "[ . 1 . ]" 1 43 1 13 ILE HA 1 15 ALA MB 5.500 . 5.550 5.193 4.950 5.345 . 0 0 "[ . 1 . ]" 1 44 1 13 ILE HA 1 13 ILE HG12 3.610 . 3.650 3.023 2.940 3.157 . 0 0 "[ . 1 . ]" 1 45 1 12 LYS H 1 13 ILE HB 5.240 . 5.290 4.897 4.742 5.012 . 0 0 "[ . 1 . ]" 1 46 1 13 ILE H 1 13 ILE HB 3.440 . 3.470 2.561 2.506 2.641 . 0 0 "[ . 1 . ]" 1 47 1 10 LEU HA 1 13 ILE HB 3.910 . 3.950 2.713 2.549 2.899 . 0 0 "[ . 1 . ]" 1 48 1 13 ILE HB 1 14 ALA MB 4.750 . 4.800 3.868 3.721 3.943 . 0 0 "[ . 1 . ]" 1 49 1 13 ILE H 1 13 ILE HG12 3.430 . 3.460 2.126 2.009 2.214 . 0 0 "[ . 1 . ]" 1 50 1 12 LYS H 1 13 ILE HG12 4.860 . 4.910 4.318 4.143 4.515 . 0 0 "[ . 1 . ]" 1 51 1 13 ILE HG12 1 14 ALA H 4.850 . 4.900 4.176 4.058 4.278 . 0 0 "[ . 1 . ]" 1 52 1 13 ILE HG13 1 14 ALA H 5.420 . 5.470 4.780 4.676 4.884 . 0 0 "[ . 1 . ]" 1 53 1 10 LEU HA 1 13 ILE HG13 4.280 . 4.320 3.058 2.709 3.585 . 0 0 "[ . 1 . ]" 1 54 1 13 ILE MG 1 16 TRP HE3 3.240 . 3.270 2.241 2.030 2.622 . 0 0 "[ . 1 . ]" 1 55 1 13 ILE HA 1 13 ILE MG 3.180 . 3.210 2.434 2.384 2.474 . 0 0 "[ . 1 . ]" 1 56 1 13 ILE MG 1 17 LEU MD1 3.510 . 3.550 2.295 2.053 2.540 . 0 0 "[ . 1 . ]" 1 57 1 9 PHE QD 1 13 ILE MD 4.140 . 4.180 3.783 3.446 3.949 . 0 0 "[ . 1 . ]" 1 58 1 13 ILE MD 1 16 TRP HE3 3.550 . 3.590 2.966 2.769 3.539 . 0 0 "[ . 1 . ]" 1 59 1 12 LYS H 1 13 ILE MD 5.500 . 5.550 5.295 5.027 5.549 . 0 0 "[ . 1 . ]" 1 60 1 13 ILE MD 1 16 TRP H 5.500 . 5.550 5.179 4.867 5.413 . 0 0 "[ . 1 . ]" 1 61 1 13 ILE MD 1 14 ALA H 4.790 . 4.840 4.658 4.593 4.700 . 0 0 "[ . 1 . ]" 1 62 1 13 ILE MD 1 16 TRP HZ3 4.770 . 4.820 3.001 2.526 3.626 . 0 0 "[ . 1 . ]" 1 63 1 13 ILE HA 1 13 ILE MD 3.100 . 3.130 2.074 1.981 2.135 . 0 0 "[ . 1 . ]" 1 64 1 13 ILE HB 1 13 ILE MD 3.330 . 3.360 3.240 3.231 3.245 . 0 0 "[ . 1 . ]" 1 65 1 13 ILE MD 1 13 ILE MG 2.660 . 2.690 1.987 1.964 2.049 . 0 0 "[ . 1 . ]" 1 66 1 14 ALA HA 1 17 LEU HB2 3.560 . 3.600 2.974 2.741 3.102 . 0 0 "[ . 1 . ]" 1 67 1 14 ALA HA 1 17 LEU HB3 4.320 . 4.360 4.155 3.809 4.364 0.004 7 0 "[ . 1 . ]" 1 68 1 13 ILE MG 1 14 ALA HA 4.070 . 4.110 3.331 3.196 3.434 . 0 0 "[ . 1 . ]" 1 69 1 14 ALA HA 1 49 ILE MD 3.130 . 3.160 3.141 2.857 3.169 0.009 6 0 "[ . 1 . ]" 1 70 1 14 ALA HA 1 17 LEU MD1 3.700 . 3.740 3.592 3.400 3.742 0.002 6 0 "[ . 1 . ]" 1 71 1 14 ALA H 1 14 ALA MB 2.760 . 2.790 2.229 2.222 2.234 . 0 0 "[ . 1 . ]" 1 72 1 14 ALA MB 1 15 ALA H 2.970 . 3.000 2.446 2.391 2.554 . 0 0 "[ . 1 . ]" 1 73 1 14 ALA MB 1 49 ILE MD 2.800 . 2.830 2.615 2.360 2.753 . 0 0 "[ . 1 . ]" 1 74 1 15 ALA HA 1 18 ASN H 3.880 . 3.920 3.475 3.291 3.601 . 0 0 "[ . 1 . ]" 1 75 1 16 TRP HA 1 16 TRP HD1 5.130 . 5.180 3.144 2.988 3.352 . 0 0 "[ . 1 . ]" 1 76 1 16 TRP HA 1 19 ALA MB 4.060 . 4.100 2.861 2.596 3.165 . 0 0 "[ . 1 . ]" 1 77 1 16 TRP HB2 1 17 LEU H 4.200 . 4.240 4.007 3.954 4.126 . 0 0 "[ . 1 . ]" 1 78 1 15 ALA MB 1 16 TRP HB3 5.030 . 5.080 4.256 4.063 4.376 . 0 0 "[ . 1 . ]" 1 79 1 15 ALA MB 1 16 TRP HB2 5.030 . 5.080 4.259 4.168 4.327 . 0 0 "[ . 1 . ]" 1 80 1 17 LEU HA 1 17 LEU MD2 3.380 . 3.410 2.057 1.966 2.175 . 0 0 "[ . 1 . ]" 1 81 1 15 ALA HA 1 17 LEU HB2 5.500 . 5.550 5.534 5.458 5.557 0.007 12 0 "[ . 1 . ]" 1 82 1 16 TRP HE3 1 17 LEU HG 4.320 . 4.360 2.986 2.701 3.235 . 0 0 "[ . 1 . ]" 1 83 1 17 LEU HA 1 17 LEU HG 4.180 . 4.220 2.526 2.441 2.596 . 0 0 "[ . 1 . ]" 1 84 1 17 LEU HB2 1 17 LEU HG 2.920 . 2.950 2.537 2.516 2.559 . 0 0 "[ . 1 . ]" 1 85 1 17 LEU H 1 17 LEU MD2 4.550 . 4.600 4.117 4.027 4.213 . 0 0 "[ . 1 . ]" 1 86 1 17 LEU MD2 1 18 ASN H 5.040 . 5.090 4.506 4.473 4.550 . 0 0 "[ . 1 . ]" 1 87 1 16 TRP HE3 1 17 LEU MD2 5.230 . 5.280 4.541 4.297 4.753 . 0 0 "[ . 1 . ]" 1 88 1 16 TRP HZ2 1 17 LEU MD2 5.500 . 5.550 4.804 4.468 5.208 . 0 0 "[ . 1 . ]" 1 89 1 17 LEU MD2 1 21 TYR HE2 4.900 . 4.950 2.981 2.421 3.371 . 0 0 "[ . 1 . ]" 1 90 1 16 TRP HZ3 1 17 LEU MD2 4.630 . 4.680 4.051 3.638 4.353 . 0 0 "[ . 1 . ]" 1 91 1 17 LEU HB2 1 17 LEU MD2 3.350 . 3.380 3.191 3.182 3.198 . 0 0 "[ . 1 . ]" 1 92 1 17 LEU MD2 1 88 LEU HB3 5.500 . 5.550 4.772 4.617 4.964 . 0 0 "[ . 1 . ]" 1 93 1 17 LEU HB3 1 17 LEU MD2 3.620 . 3.660 2.296 2.272 2.323 . 0 0 "[ . 1 . ]" 1 94 1 17 LEU MD2 1 88 LEU MD1 3.500 . 3.540 1.905 1.797 2.151 0.003 10 0 "[ . 1 . ]" 1 95 1 88 LEU HG 1 89 ALA H 5.370 . 5.420 5.184 5.121 5.298 . 0 0 "[ . 1 . ]" 1 96 1 88 LEU HG 1 93 TRP HZ3 5.500 . 5.550 5.332 5.184 5.500 . 0 0 "[ . 1 . ]" 1 97 1 16 TRP HH2 1 88 LEU HG 4.930 . 4.980 3.911 3.635 4.157 . 0 0 "[ . 1 . ]" 1 98 1 33 LEU HA 1 88 LEU HG 5.130 . 5.180 4.666 4.323 4.909 . 0 0 "[ . 1 . ]" 1 99 1 33 LEU MD2 1 88 LEU HG 3.450 . 3.480 2.246 1.974 2.589 . 0 0 "[ . 1 . ]" 1 100 1 17 LEU HG 1 18 ASN H 4.900 . 4.950 4.896 4.822 4.957 0.007 8 0 "[ . 1 . ]" 1 101 1 16 TRP HZ2 1 17 LEU HG 5.130 . 5.180 4.834 4.751 4.920 . 0 0 "[ . 1 . ]" 1 102 1 17 LEU H 1 18 ASN HB3 5.200 . 5.250 4.899 4.712 5.116 . 0 0 "[ . 1 . ]" 1 103 1 18 ASN HB2 1 19 ALA H 4.360 . 4.400 3.999 3.778 4.154 . 0 0 "[ . 1 . ]" 1 104 1 17 LEU H 1 18 ASN HB2 5.500 . 5.550 4.979 4.712 5.154 . 0 0 "[ . 1 . ]" 1 105 1 15 ALA HA 1 18 ASN HB2 4.210 . 4.250 3.622 2.738 4.056 . 0 0 "[ . 1 . ]" 1 106 1 15 ALA HA 1 18 ASN HB3 3.800 . 3.840 2.629 2.310 2.870 . 0 0 "[ . 1 . ]" 1 107 1 15 ALA MB 1 18 ASN HB2 5.500 . 5.550 5.085 4.352 5.447 . 0 0 "[ . 1 . ]" 1 108 1 18 ASN HB2 1 19 ALA MB 5.500 . 5.550 5.404 5.190 5.540 . 0 0 "[ . 1 . ]" 1 109 1 15 ALA MB 1 18 ASN HB3 4.490 . 4.530 4.148 3.706 4.389 . 0 0 "[ . 1 . ]" 1 110 1 18 ASN HB3 1 19 ALA MB 4.830 . 4.880 4.134 3.840 4.327 . 0 0 "[ . 1 . ]" 1 111 1 18 ASN HA 1 18 ASN HD21 3.650 . 3.690 2.337 1.860 3.713 0.023 9 0 "[ . 1 . ]" 1 112 1 17 LEU H 1 18 ASN HA 5.500 . 5.550 5.249 5.190 5.329 . 0 0 "[ . 1 . ]" 1 113 1 17 LEU MD2 1 18 ASN HA 4.800 . 4.850 4.859 4.854 4.863 0.013 6 0 "[ . 1 . ]" 1 114 1 18 ASN H 1 19 ALA HA 5.500 . 5.550 5.242 5.149 5.345 . 0 0 "[ . 1 . ]" 1 115 1 19 ALA HA 1 91 GLN HG2 4.890 . 4.940 4.494 4.230 4.942 0.002 2 0 "[ . 1 . ]" 1 116 1 19 ALA H 1 19 ALA MB 2.940 . 2.970 2.252 2.241 2.277 . 0 0 "[ . 1 . ]" 1 117 1 19 ALA MB 1 20 GLY H 3.380 . 3.410 2.665 2.471 2.874 . 0 0 "[ . 1 . ]" 1 118 1 20 GLY HA3 1 91 GLN HE22 4.930 . 4.980 3.828 3.293 4.447 . 0 0 "[ . 1 . ]" 1 119 1 19 ALA MB 1 20 GLY HA3 4.510 . 4.560 4.188 4.078 4.318 . 0 0 "[ . 1 . ]" 1 120 1 19 ALA MB 1 20 GLY HA2 4.510 . 4.560 3.932 3.870 4.024 . 0 0 "[ . 1 . ]" 1 121 1 21 TYR HA 1 21 TYR HD1 4.680 . 4.730 2.709 2.576 2.943 . 0 0 "[ . 1 . ]" 1 122 1 21 TYR HA 1 22 PRO HD3 4.000 . 4.040 2.851 2.706 3.058 . 0 0 "[ . 1 . ]" 1 123 1 21 TYR HA 1 22 PRO HD2 4.000 . 4.040 2.133 1.920 2.326 . 0 0 "[ . 1 . ]" 1 124 1 21 TYR HA 1 22 PRO HG2 4.920 . 4.970 4.291 4.097 4.450 . 0 0 "[ . 1 . ]" 1 125 1 21 TYR HA 1 22 PRO HG3 5.480 . 5.530 4.681 4.489 4.893 . 0 0 "[ . 1 . ]" 1 126 1 21 TYR HB3 1 24 GLY H 4.040 . 4.080 2.761 2.481 3.251 . 0 0 "[ . 1 . ]" 1 127 1 21 TYR HB2 1 25 VAL HA 5.500 . 5.550 4.608 4.111 4.931 . 0 0 "[ . 1 . ]" 1 128 1 21 TYR HB3 1 25 VAL HA 4.810 . 4.860 3.475 3.064 3.719 . 0 0 "[ . 1 . ]" 1 129 1 18 ASN HD21 1 22 PRO HA 4.100 . 4.140 2.856 2.276 4.141 0.001 3 0 "[ . 1 . ]" 1 130 1 18 ASN HD22 1 22 PRO HA 4.290 . 4.330 2.690 2.014 3.719 . 0 0 "[ . 1 . ]" 1 131 1 21 TYR H 1 22 PRO HD3 4.240 . 4.280 3.330 2.794 3.772 . 0 0 "[ . 1 . ]" 1 132 1 23 GLU HB2 1 24 GLY H 5.040 . 5.090 4.098 3.444 4.487 . 0 0 "[ . 1 . ]" 1 133 1 23 GLU H 1 23 GLU HG2 3.850 . 3.890 2.404 1.906 3.870 . 0 0 "[ . 1 . ]" 1 134 1 23 GLU H 1 23 GLU HG3 3.850 . 3.890 3.151 1.929 3.892 0.002 9 0 "[ . 1 . ]" 1 135 1 23 GLU HG2 1 24 GLY H 5.500 . 5.550 3.644 2.402 5.291 . 0 0 "[ . 1 . ]" 1 136 1 23 GLU HG3 1 24 GLY H 5.500 . 5.550 3.889 2.520 5.553 0.003 6 0 "[ . 1 . ]" 1 137 1 25 VAL HA 1 30 ARG QG 4.840 . 4.890 4.036 3.969 4.380 . 0 0 "[ . 1 . ]" 1 138 1 25 VAL HA 1 25 VAL MG1 3.380 . 3.410 2.340 2.261 3.214 . 0 0 "[ . 1 . ]" 1 139 1 25 VAL H 1 25 VAL HB 3.940 . 3.980 2.830 2.727 3.354 . 0 0 "[ . 1 . ]" 1 140 1 25 VAL HB 1 30 ARG QG 4.510 . 4.560 1.929 1.746 4.007 0.054 17 0 "[ . 1 . ]" 1 141 1 25 VAL HB 1 33 LEU HG 5.410 . 5.460 4.861 4.459 5.270 . 0 0 "[ . 1 . ]" 1 142 1 21 TYR HE2 1 25 VAL HB 5.500 . 5.550 5.497 4.327 5.576 0.026 2 0 "[ . 1 . ]" 1 143 1 21 TYR HE1 1 25 VAL HB 5.500 . 5.550 5.493 4.280 5.579 0.029 9 0 "[ . 1 . ]" 1 144 1 25 VAL H 1 25 VAL MG1 4.050 . 4.090 3.771 2.196 3.948 . 0 0 "[ . 1 . ]" 1 145 1 21 TYR HE2 1 25 VAL MG1 4.560 . 4.610 3.153 2.942 4.619 0.009 15 0 "[ . 1 . ]" 1 146 1 25 VAL MG1 1 26 PRO HD2 5.000 . 5.050 2.376 1.989 4.299 . 0 0 "[ . 1 . ]" 1 147 1 25 VAL MG1 1 30 ARG HA 4.100 . 4.140 2.562 2.235 3.709 . 0 0 "[ . 1 . ]" 1 148 1 25 VAL MG1 1 30 ARG QG 4.100 . 4.140 2.289 1.980 2.434 . 0 0 "[ . 1 . ]" 1 149 1 26 PRO HA 1 27 GLY HA2 4.510 . 4.560 4.300 4.269 4.325 . 0 0 "[ . 1 . ]" 1 150 1 26 PRO HA 1 28 PRO HD2 4.690 . 4.740 3.870 3.622 4.078 . 0 0 "[ . 1 . ]" 1 151 1 26 PRO HB3 1 29 ASP H 5.210 . 5.260 5.080 5.011 5.178 . 0 0 "[ . 1 . ]" 1 152 1 26 PRO HB3 1 28 PRO HD3 5.030 . 5.080 5.071 5.016 5.090 0.010 10 0 "[ . 1 . ]" 1 153 1 26 PRO HB3 1 28 PRO HD2 3.850 . 3.890 3.691 3.554 3.831 . 0 0 "[ . 1 . ]" 1 154 1 26 PRO HB2 1 28 PRO HD2 3.590 . 3.630 1.994 1.867 2.108 . 0 0 "[ . 1 . ]" 1 155 1 26 PRO HB2 1 28 PRO HD3 4.190 . 4.230 3.551 3.480 3.582 . 0 0 "[ . 1 . ]" 1 156 1 26 PRO HB2 1 29 ASP H 4.050 . 4.090 3.603 3.541 3.711 . 0 0 "[ . 1 . ]" 1 157 1 25 VAL HA 1 26 PRO HD2 3.610 . 3.650 2.158 2.094 2.310 . 0 0 "[ . 1 . ]" 1 158 1 21 TYR HB3 1 26 PRO HD2 5.500 . 5.550 5.282 4.844 5.649 0.099 7 0 "[ . 1 . ]" 1 159 1 25 VAL MG2 1 26 PRO HD2 5.000 . 5.050 3.941 2.129 4.109 . 0 0 "[ . 1 . ]" 1 160 1 26 PRO HD3 1 30 ARG QG 4.650 . 4.700 5.016 4.967 5.241 0.541 15 1 "[ . 1 + ]" 1 161 1 26 PRO HD3 1 29 ASP HB3 4.810 . 4.860 5.256 5.007 5.454 0.594 4 5 "[* *+. - * ]" 1 162 1 26 PRO HD3 1 29 ASP HB2 4.810 . 4.860 4.062 3.907 4.186 . 0 0 "[ . 1 . ]" 1 163 1 25 VAL HA 1 26 PRO HD3 3.670 . 3.710 2.416 2.257 2.474 . 0 0 "[ . 1 . ]" 1 164 1 21 TYR HE1 1 26 PRO HD3 3.930 . 3.970 3.420 3.046 4.482 0.512 15 1 "[ . 1 + ]" 1 165 1 21 TYR HE1 1 26 PRO HG2 5.500 . 5.550 4.182 3.715 4.988 . 0 0 "[ . 1 . ]" 1 166 1 21 TYR HE1 1 26 PRO HG3 5.500 . 5.550 4.195 3.796 5.228 . 0 0 "[ . 1 . ]" 1 167 1 26 PRO HG2 1 29 ASP H 4.700 . 4.750 3.018 2.916 3.123 . 0 0 "[ . 1 . ]" 1 168 1 27 GLY HA3 1 30 ARG QG 5.500 . 5.550 4.404 3.854 4.707 . 0 0 "[ . 1 . ]" 1 169 1 27 GLY HA2 1 30 ARG QG 4.540 . 4.590 2.957 2.385 3.231 . 0 0 "[ . 1 . ]" 1 170 1 27 GLY HA2 1 30 ARG HD2 4.750 . 4.800 4.038 3.484 4.501 . 0 0 "[ . 1 . ]" 1 171 1 26 PRO HA 1 27 GLY HA3 4.740 . 4.790 4.504 4.480 4.522 . 0 0 "[ . 1 . ]" 1 172 1 27 GLY HA2 1 29 ASP H 5.050 . 5.100 3.959 3.881 4.087 . 0 0 "[ . 1 . ]" 1 173 1 27 GLY HA2 1 30 ARG H 4.780 . 4.830 3.193 3.037 3.283 . 0 0 "[ . 1 . ]" 1 174 1 28 PRO HA 1 30 ARG H 5.070 . 5.120 4.465 4.344 4.580 . 0 0 "[ . 1 . ]" 1 175 1 27 GLY HA3 1 28 PRO HD3 3.990 . 4.030 2.543 2.350 2.880 . 0 0 "[ . 1 . ]" 1 176 1 26 PRO HG2 1 28 PRO HD2 3.440 . 3.470 3.466 3.366 3.477 0.007 10 0 "[ . 1 . ]" 1 177 1 29 ASP HA 1 32 PRO HG3 4.650 . 4.700 2.860 2.609 3.107 . 0 0 "[ . 1 . ]" 1 178 1 29 ASP HA 1 32 PRO HD3 4.650 . 4.700 4.060 3.868 4.290 . 0 0 "[ . 1 . ]" 1 179 1 21 TYR HE2 1 29 ASP HB3 5.500 . 5.550 4.325 3.968 4.557 . 0 0 "[ . 1 . ]" 1 180 1 21 TYR HE1 1 29 ASP HB3 5.500 . 5.550 3.759 3.134 4.576 . 0 0 "[ . 1 . ]" 1 181 1 21 TYR HE2 1 29 ASP HB2 5.500 . 5.550 5.515 5.205 5.553 0.003 12 0 "[ . 1 . ]" 1 182 1 21 TYR HE1 1 29 ASP HB2 5.500 . 5.550 3.843 3.290 4.409 . 0 0 "[ . 1 . ]" 1 183 1 30 ARG HA 1 34 LEU H 4.780 . 4.830 4.016 3.897 4.117 . 0 0 "[ . 1 . ]" 1 184 1 30 ARG HA 1 30 ARG HD3 5.000 . 5.050 4.684 4.527 4.888 . 0 0 "[ . 1 . ]" 1 185 1 30 ARG HA 1 30 ARG HD2 5.000 . 5.050 4.355 4.142 4.804 . 0 0 "[ . 1 . ]" 1 186 1 30 ARG HA 1 33 LEU HB2 3.760 . 3.800 2.995 2.750 3.156 . 0 0 "[ . 1 . ]" 1 187 1 30 ARG HA 1 33 LEU HB3 3.790 . 3.830 2.485 2.348 2.629 . 0 0 "[ . 1 . ]" 1 188 1 30 ARG HA 1 30 ARG QG 3.670 . 3.710 2.346 2.278 2.461 . 0 0 "[ . 1 . ]" 1 189 1 30 ARG HA 1 67 LEU HG 3.890 . 3.930 3.604 3.511 3.779 . 0 0 "[ . 1 . ]" 1 190 1 30 ARG HA 1 67 LEU MD2 4.190 . 4.230 4.009 3.842 4.190 . 0 0 "[ . 1 . ]" 1 191 1 30 ARG H 1 30 ARG HB2 3.980 . 4.020 2.405 2.335 2.563 . 0 0 "[ . 1 . ]" 1 192 1 30 ARG H 1 30 ARG HD2 5.040 . 5.090 4.900 4.613 5.029 . 0 0 "[ . 1 . ]" 1 193 1 30 ARG H 1 30 ARG HD3 5.040 . 5.090 4.740 3.895 5.096 0.006 15 0 "[ . 1 . ]" 1 194 1 27 GLY HA2 1 30 ARG HD3 4.750 . 4.800 3.713 1.874 4.699 . 0 0 "[ . 1 . ]" 1 195 1 30 ARG HD3 1 62 ILE HB 5.500 . 5.550 3.283 1.835 5.558 0.008 9 0 "[ . 1 . ]" 1 196 1 30 ARG HD2 1 62 ILE HB 5.500 . 5.550 3.519 2.585 5.513 . 0 0 "[ . 1 . ]" 1 197 1 30 ARG HD2 1 67 LEU MD2 4.360 . 4.400 2.439 1.809 4.088 . 0 0 "[ . 1 . ]" 1 198 1 30 ARG HD3 1 67 LEU MD2 4.360 . 4.400 3.569 3.072 3.900 . 0 0 "[ . 1 . ]" 1 199 1 31 VAL HA 1 34 LEU H 4.310 . 4.350 3.779 3.710 3.892 . 0 0 "[ . 1 . ]" 1 200 1 31 VAL HA 1 34 LEU HB2 3.980 . 4.020 3.269 3.091 3.434 . 0 0 "[ . 1 . ]" 1 201 1 31 VAL HA 1 67 LEU MD2 4.690 . 4.740 4.365 4.156 4.538 . 0 0 "[ . 1 . ]" 1 202 1 68 ILE HA 1 71 MET H 4.260 . 4.300 3.361 3.198 3.549 . 0 0 "[ . 1 . ]" 1 203 1 68 ILE HA 1 72 THR H 5.260 . 5.310 4.054 3.754 4.379 . 0 0 "[ . 1 . ]" 1 204 1 68 ILE HA 1 71 MET HB3 4.760 . 4.810 4.199 3.949 4.814 0.004 8 0 "[ . 1 . ]" 1 205 1 68 ILE HA 1 71 MET HB2 3.800 . 3.840 2.590 2.346 3.192 . 0 0 "[ . 1 . ]" 1 206 1 68 ILE HA 1 68 ILE HG13 3.630 . 3.670 3.115 3.060 3.167 . 0 0 "[ . 1 . ]" 1 207 1 32 PRO HD3 1 33 LEU H 4.440 . 4.480 3.913 3.857 3.957 . 0 0 "[ . 1 . ]" 1 208 1 32 PRO HD2 1 33 LEU H 4.830 . 4.880 2.750 2.657 2.813 . 0 0 "[ . 1 . ]" 1 209 1 30 ARG H 1 32 PRO HD3 4.850 . 4.900 4.893 4.846 4.908 0.008 14 0 "[ . 1 . ]" 1 210 1 30 ARG H 1 32 PRO HD2 5.240 . 5.290 3.346 3.275 3.415 . 0 0 "[ . 1 . ]" 1 211 1 31 VAL HB 1 32 PRO HD2 3.620 . 3.660 2.738 2.703 2.800 . 0 0 "[ . 1 . ]" 1 212 1 31 VAL HB 1 32 PRO HD3 3.280 . 3.310 1.982 1.908 2.044 . 0 0 "[ . 1 . ]" 1 213 1 31 VAL MG1 1 32 PRO HD3 4.370 . 4.410 3.316 3.194 3.384 . 0 0 "[ . 1 . ]" 1 214 1 31 VAL MG1 1 32 PRO HD2 4.170 . 4.210 4.047 4.000 4.104 . 0 0 "[ . 1 . ]" 1 215 1 31 VAL MG2 1 32 PRO HD2 4.180 . 4.220 3.476 3.358 3.561 . 0 0 "[ . 1 . ]" 1 216 1 31 VAL H 1 32 PRO HG3 4.780 . 4.830 4.815 4.774 4.835 0.005 14 0 "[ . 1 . ]" 1 217 1 32 PRO HG3 1 80 ASP HB2 4.430 . 4.470 3.347 2.889 3.825 . 0 0 "[ . 1 . ]" 1 218 1 31 VAL MG1 1 32 PRO HG3 5.220 . 5.270 5.151 4.996 5.234 . 0 0 "[ . 1 . ]" 1 219 1 31 VAL HB 1 76 PRO HD3 4.220 . 4.260 4.080 3.962 4.257 . 0 0 "[ . 1 . ]" 1 220 1 32 PRO HG2 1 33 LEU H 4.670 . 4.720 2.386 2.331 2.419 . 0 0 "[ . 1 . ]" 1 221 1 33 LEU HA 1 84 VAL MG1 4.190 . 4.230 2.402 2.206 2.622 . 0 0 "[ . 1 . ]" 1 222 1 33 LEU HB3 1 67 LEU MD2 4.800 . 4.850 4.860 4.853 4.865 0.015 15 0 "[ . 1 . ]" 1 223 1 33 LEU HB3 1 84 VAL MG1 5.280 . 5.330 4.577 4.307 4.901 . 0 0 "[ . 1 . ]" 1 224 1 33 LEU HB3 1 84 VAL MG2 5.280 . 5.330 3.694 3.465 3.938 . 0 0 "[ . 1 . ]" 1 225 1 17 LEU HA 1 33 LEU MD1 5.500 . 5.550 5.213 5.044 5.436 . 0 0 "[ . 1 . ]" 1 226 1 17 LEU HA 1 33 LEU MD2 5.500 . 5.550 4.551 4.422 4.715 . 0 0 "[ . 1 . ]" 1 227 1 33 LEU MD2 1 88 LEU HA 5.500 . 5.550 5.163 4.946 5.460 . 0 0 "[ . 1 . ]" 1 228 1 33 LEU HB2 1 33 LEU MD2 3.460 . 3.490 2.526 2.493 2.550 . 0 0 "[ . 1 . ]" 1 229 1 33 LEU MD1 1 34 LEU HB2 4.630 . 4.680 4.277 4.128 4.362 . 0 0 "[ . 1 . ]" 1 230 1 17 LEU MD2 1 33 LEU MD1 3.130 . 3.160 2.046 1.882 2.280 . 0 0 "[ . 1 . ]" 1 231 1 33 LEU MD2 1 88 LEU MD1 4.280 . 4.320 2.643 2.409 2.855 . 0 0 "[ . 1 . ]" 1 232 1 25 VAL MG1 1 33 LEU HG 3.980 . 4.020 2.993 2.643 3.909 . 0 0 "[ . 1 . ]" 1 233 1 34 LEU HA 1 67 LEU HB3 5.190 . 5.240 5.166 5.027 5.241 0.001 8 0 "[ . 1 . ]" 1 234 1 34 LEU HA 1 34 LEU MD1 3.600 . 3.640 1.902 1.867 1.935 . 0 0 "[ . 1 . ]" 1 235 1 34 LEU HA 1 34 LEU MD2 4.050 . 4.090 2.400 2.313 2.483 . 0 0 "[ . 1 . ]" 1 236 1 34 LEU HB2 1 35 ALA H 4.620 . 4.670 2.862 2.790 2.990 . 0 0 "[ . 1 . ]" 1 237 1 34 LEU HB3 1 35 ALA H 5.060 . 5.110 3.253 3.197 3.354 . 0 0 "[ . 1 . ]" 1 238 1 34 LEU HB2 1 67 LEU HB3 4.490 . 4.530 2.341 2.190 2.455 . 0 0 "[ . 1 . ]" 1 239 1 34 LEU HA 1 34 LEU HG 4.120 . 4.160 3.646 3.626 3.665 . 0 0 "[ . 1 . ]" 1 240 1 34 LEU HG 1 67 LEU HB3 3.670 . 3.710 2.753 2.597 3.069 . 0 0 "[ . 1 . ]" 1 241 1 34 LEU HG 1 65 GLY HA2 5.500 . 5.550 4.810 4.574 5.110 . 0 0 "[ . 1 . ]" 1 242 1 34 LEU HG 1 68 ILE HA 5.500 . 5.550 4.425 4.134 4.716 . 0 0 "[ . 1 . ]" 1 243 1 34 LEU MD1 1 65 GLY HA2 5.500 . 5.550 4.194 3.830 4.481 . 0 0 "[ . 1 . ]" 1 244 1 34 LEU MD1 1 68 ILE HA 5.500 . 5.550 4.378 4.168 4.611 . 0 0 "[ . 1 . ]" 1 245 1 34 LEU HB2 1 34 LEU MD2 3.480 . 3.510 2.365 2.341 2.380 . 0 0 "[ . 1 . ]" 1 246 1 34 LEU HB3 1 34 LEU MD1 3.580 . 3.620 2.359 2.334 2.379 . 0 0 "[ . 1 . ]" 1 247 1 34 LEU MD1 1 67 LEU HB3 4.610 . 4.660 4.251 4.124 4.473 . 0 0 "[ . 1 . ]" 1 248 1 34 LEU MD2 1 67 LEU HB3 4.750 . 4.800 3.057 2.821 3.297 . 0 0 "[ . 1 . ]" 1 249 1 34 LEU H 1 34 LEU MD2 5.240 . 5.290 2.460 2.364 2.622 . 0 0 "[ . 1 . ]" 1 250 1 34 LEU MD1 1 68 ILE H 5.500 . 5.550 4.019 3.871 4.194 . 0 0 "[ . 1 . ]" 1 251 1 34 LEU HB3 1 35 ALA HA 3.980 . 4.020 4.030 4.024 4.035 0.015 8 0 "[ . 1 . ]" 1 252 1 35 ALA HA 1 81 ILE MD 5.250 . 5.300 4.729 4.371 4.984 . 0 0 "[ . 1 . ]" 1 253 1 31 VAL MG1 1 35 ALA HA 5.500 . 5.550 5.260 5.080 5.361 . 0 0 "[ . 1 . ]" 1 254 1 35 ALA HA 1 81 ILE HG12 5.500 . 5.550 5.399 5.092 5.554 0.004 16 0 "[ . 1 . ]" 1 255 1 35 ALA MB 1 81 ILE MD 2.840 . 2.870 2.460 2.173 2.641 . 0 0 "[ . 1 . ]" 1 256 1 35 ALA MB 1 36 LEU H 2.930 . 2.960 2.506 2.405 2.649 . 0 0 "[ . 1 . ]" 1 257 1 36 LEU HA 1 39 ARG HG2 4.740 . 4.790 2.892 2.421 4.150 . 0 0 "[ . 1 . ]" 1 258 1 36 LEU HA 1 81 ILE MG 3.500 . 3.540 3.202 2.849 3.542 0.002 16 0 "[ . 1 . ]" 1 259 1 36 LEU HB3 1 81 ILE MG 4.300 . 4.340 3.864 3.445 4.288 . 0 0 "[ . 1 . ]" 1 260 1 36 LEU HB2 1 81 ILE MD 4.880 . 4.930 4.558 4.093 4.934 0.004 4 0 "[ . 1 . ]" 1 261 1 36 LEU HB2 1 81 ILE MG 4.650 . 4.700 2.299 1.860 2.738 . 0 0 "[ . 1 . ]" 1 262 1 33 LEU HA 1 33 LEU MD2 3.280 . 3.310 2.000 1.965 2.024 . 0 0 "[ . 1 . ]" 1 263 1 36 LEU HA 1 39 ARG HG3 4.740 . 4.790 3.006 2.590 3.535 . 0 0 "[ . 1 . ]" 1 264 1 37 LEU H 1 37 LEU HG 4.690 . 4.740 4.097 2.832 4.547 . 0 0 "[ . 1 . ]" 1 265 1 34 LEU HA 1 37 LEU HG 5.130 . 5.180 4.630 3.644 5.188 0.008 8 0 "[ . 1 . ]" 1 266 1 16 TRP HZ3 1 37 LEU MD1 4.930 . 4.980 2.799 1.812 4.196 . 0 0 "[ . 1 . ]" 1 267 1 16 TRP HZ3 1 37 LEU MD2 4.930 . 4.980 3.153 1.802 4.345 . 0 0 "[ . 1 . ]" 1 268 1 37 LEU HA 1 37 LEU MD1 4.270 . 4.310 3.120 1.996 3.824 . 0 0 "[ . 1 . ]" 1 269 1 37 LEU HA 1 37 LEU MD2 4.270 . 4.310 2.746 1.913 3.803 . 0 0 "[ . 1 . ]" 1 270 1 38 THR HA 1 41 LEU H 5.140 . 5.190 3.489 3.048 4.071 . 0 0 "[ . 1 . ]" 1 271 1 38 THR HA 1 39 ARG HB2 5.470 . 5.520 5.516 5.440 5.545 0.025 17 0 "[ . 1 . ]" 1 272 1 38 THR H 1 38 THR HB 4.020 . 4.060 3.621 3.597 3.643 . 0 0 "[ . 1 . ]" 1 273 1 38 THR HB 1 71 MET ME 4.810 . 4.860 3.635 3.367 3.825 . 0 0 "[ . 1 . ]" 1 274 1 38 THR HB 1 68 ILE MD 4.820 . 4.870 4.265 3.751 4.872 0.002 4 0 "[ . 1 . ]" 1 275 1 38 THR H 1 38 THR MG 3.080 . 3.110 2.356 2.261 2.454 . 0 0 "[ . 1 . ]" 1 276 1 38 THR HA 1 38 THR MG 2.910 . 2.940 2.318 2.278 2.362 . 0 0 "[ . 1 . ]" 1 277 1 34 LEU HB3 1 38 THR MG 3.210 . 3.240 2.960 2.709 3.225 . 0 0 "[ . 1 . ]" 1 278 1 38 THR MG 1 68 ILE MD 2.750 . 2.780 2.481 2.244 2.749 . 0 0 "[ . 1 . ]" 1 279 1 38 THR MG 1 68 ILE MG 2.960 . 2.990 2.982 2.901 2.996 0.006 2 0 "[ . 1 . ]" 1 280 1 40 ARG H 1 40 ARG HB3 3.990 . 4.030 3.729 3.635 3.937 . 0 0 "[ . 1 . ]" 1 281 1 39 ARG H 1 40 ARG HB2 5.500 . 5.550 5.264 4.818 5.492 . 0 0 "[ . 1 . ]" 1 282 1 40 ARG H 1 40 ARG HB2 3.970 . 4.010 2.604 2.422 2.935 . 0 0 "[ . 1 . ]" 1 283 1 40 ARG HB2 1 41 LEU H 4.390 . 4.430 3.511 2.604 4.441 0.011 5 0 "[ . 1 . ]" 1 284 1 40 ARG HB3 1 40 ARG HG2 2.870 . 2.900 2.390 2.247 2.469 . 0 0 "[ . 1 . ]" 1 285 1 40 ARG HB2 1 95 LEU HB3 4.290 . 4.330 3.629 2.785 4.341 0.011 11 0 "[ . 1 . ]" 1 286 1 40 ARG HB2 1 95 LEU HG 4.330 . 4.370 2.498 1.794 3.323 0.006 13 0 "[ . 1 . ]" 1 287 1 39 ARG H 1 39 ARG HB3 3.620 . 3.660 3.583 3.548 3.597 . 0 0 "[ . 1 . ]" 1 288 1 39 ARG HB3 1 40 ARG H 4.260 . 4.300 3.552 3.348 3.950 . 0 0 "[ . 1 . ]" 1 289 1 39 ARG HA 1 39 ARG HG2 3.880 . 3.920 3.030 2.423 3.279 . 0 0 "[ . 1 . ]" 1 290 1 39 ARG HA 1 39 ARG HG3 3.880 . 3.920 3.689 3.096 3.803 . 0 0 "[ . 1 . ]" 1 291 1 39 ARG H 1 39 ARG HD2 5.500 . 5.550 3.771 3.104 4.602 . 0 0 "[ . 1 . ]" 1 292 1 39 ARG H 1 39 ARG HD3 5.500 . 5.550 4.222 3.462 4.734 . 0 0 "[ . 1 . ]" 1 293 1 39 ARG H 1 40 ARG HG3 5.500 . 5.550 4.829 4.188 5.565 0.015 17 0 "[ . 1 . ]" 1 294 1 40 ARG HD2 1 95 LEU HB3 5.180 . 5.230 3.345 1.958 4.498 . 0 0 "[ . 1 . ]" 1 295 1 40 ARG HD3 1 95 LEU HB3 5.180 . 5.230 2.677 1.816 3.759 . 0 0 "[ . 1 . ]" 1 296 1 40 ARG H 1 40 ARG HD3 4.740 . 4.790 4.368 3.444 4.820 0.030 16 0 "[ . 1 . ]" 1 297 1 40 ARG H 1 40 ARG HD2 4.740 . 4.790 4.309 2.477 4.816 0.026 2 0 "[ . 1 . ]" 1 298 1 41 LEU HB3 1 42 THR H 5.280 . 5.330 3.181 2.720 3.833 . 0 0 "[ . 1 . ]" 1 299 1 41 LEU HB3 1 95 LEU MD1 5.500 . 5.550 5.356 4.209 5.568 0.018 14 0 "[ . 1 . ]" 1 300 1 41 LEU H 1 41 LEU HG 5.500 . 5.550 4.151 3.568 4.896 . 0 0 "[ . 1 . ]" 1 301 1 42 THR HA 1 42 THR MG 3.360 . 3.390 2.391 2.361 2.417 . 0 0 "[ . 1 . ]" 1 302 1 42 THR H 1 42 THR MG 2.950 . 2.980 2.264 2.141 2.470 . 0 0 "[ . 1 . ]" 1 303 1 42 THR MG 1 43 ASN H 3.990 . 4.030 3.704 3.604 3.816 . 0 0 "[ . 1 . ]" 1 304 1 42 THR MG 1 44 ASP H 4.740 . 4.790 4.296 4.226 4.423 . 0 0 "[ . 1 . ]" 1 305 1 42 THR MG 1 45 GLU H 4.300 . 4.340 4.104 4.075 4.122 . 0 0 "[ . 1 . ]" 1 306 1 42 THR MG 1 45 GLU HB2 3.970 . 4.010 4.005 3.926 4.024 0.014 4 0 "[ . 1 . ]" 1 307 1 43 ASN HB2 1 46 ILE MG 4.800 . 4.850 4.137 3.833 4.373 . 0 0 "[ . 1 . ]" 1 308 1 43 ASN HB3 1 46 ILE MG 4.800 . 4.850 3.796 3.484 4.289 . 0 0 "[ . 1 . ]" 1 309 1 44 ASP H 1 44 ASP HB2 3.680 . 3.720 2.541 2.371 2.714 . 0 0 "[ . 1 . ]" 1 310 1 44 ASP HB3 1 45 GLU H 4.070 . 4.110 2.912 2.427 3.697 . 0 0 "[ . 1 . ]" 1 311 1 44 ASP HB2 1 45 GLU H 4.070 . 4.110 3.417 2.442 3.946 . 0 0 "[ . 1 . ]" 1 312 1 44 ASP HB3 1 47 LYS HB2 5.500 . 5.550 5.227 4.382 5.563 0.013 17 0 "[ . 1 . ]" 1 313 1 44 ASP HB2 1 47 LYS HB2 5.500 . 5.550 5.323 5.119 5.551 0.001 8 0 "[ . 1 . ]" 1 314 1 45 GLU HA 1 45 GLU HG3 3.350 . 3.380 2.864 2.586 2.942 . 0 0 "[ . 1 . ]" 1 315 1 45 GLU HA 1 45 GLU HG2 3.360 . 3.390 2.516 2.471 2.704 . 0 0 "[ . 1 . ]" 1 316 1 10 LEU HG 1 45 GLU HA 3.450 . 3.480 3.383 3.106 3.488 0.008 17 0 "[ . 1 . ]" 1 317 1 10 LEU MD1 1 45 GLU HA 3.750 . 3.790 2.137 1.797 2.674 0.003 17 0 "[ . 1 . ]" 1 318 1 45 GLU HA 1 46 ILE MG 4.930 . 4.980 4.964 4.907 4.983 0.003 13 0 "[ . 1 . ]" 1 319 1 41 LEU HG 1 45 GLU HB2 5.090 . 5.140 3.397 2.162 4.166 . 0 0 "[ . 1 . ]" 1 320 1 41 LEU HG 1 45 GLU HB3 5.420 . 5.470 3.202 2.355 3.875 . 0 0 "[ . 1 . ]" 1 321 1 10 LEU HG 1 45 GLU HB3 5.160 . 5.210 4.421 3.986 4.722 . 0 0 "[ . 1 . ]" 1 322 1 41 LEU MD1 1 45 GLU HB2 5.150 . 5.200 4.496 2.948 5.112 . 0 0 "[ . 1 . ]" 1 323 1 41 LEU MD1 1 45 GLU HB3 5.420 . 5.470 4.198 2.284 5.015 . 0 0 "[ . 1 . ]" 1 324 1 45 GLU HB2 1 46 ILE MG 4.850 . 4.900 4.074 3.939 4.175 . 0 0 "[ . 1 . ]" 1 325 1 42 THR H 1 45 GLU HG3 4.890 . 4.940 3.418 3.238 3.706 . 0 0 "[ . 1 . ]" 1 326 1 45 GLU H 1 45 GLU HG3 3.720 . 3.760 2.428 2.284 2.588 . 0 0 "[ . 1 . ]" 1 327 1 45 GLU HG2 1 46 ILE H 5.050 . 5.100 5.020 4.969 5.087 . 0 0 "[ . 1 . ]" 1 328 1 42 THR H 1 45 GLU HG2 5.060 . 5.110 4.419 4.213 4.685 . 0 0 "[ . 1 . ]" 1 329 1 45 GLU HG2 1 48 ALA MB 4.980 . 5.030 4.092 3.964 4.372 . 0 0 "[ . 1 . ]" 1 330 1 42 THR MG 1 45 GLU HG2 4.820 . 4.870 4.823 4.748 4.874 0.004 9 0 "[ . 1 . ]" 1 331 1 10 LEU MD1 1 45 GLU HG2 4.260 . 4.300 2.403 1.853 3.023 . 0 0 "[ . 1 . ]" 1 332 1 10 LEU MD2 1 45 GLU HG2 4.420 . 4.460 2.113 1.796 2.659 0.004 5 0 "[ . 1 . ]" 1 333 1 10 LEU MD2 1 45 GLU HG3 4.160 . 4.200 3.662 3.346 4.153 . 0 0 "[ . 1 . ]" 1 334 1 46 ILE HA 1 50 ALA H 4.980 . 5.030 4.689 4.427 4.930 . 0 0 "[ . 1 . ]" 1 335 1 46 ILE HA 1 49 ILE H 4.040 . 4.080 3.496 3.331 3.641 . 0 0 "[ . 1 . ]" 1 336 1 46 ILE HA 1 48 ALA H 5.070 . 5.120 4.458 4.332 4.588 . 0 0 "[ . 1 . ]" 1 337 1 46 ILE HA 1 49 ILE HB 3.430 . 3.460 3.144 2.984 3.318 . 0 0 "[ . 1 . ]" 1 338 1 46 ILE HA 1 46 ILE MG 3.240 . 3.270 3.220 3.208 3.228 . 0 0 "[ . 1 . ]" 1 339 1 46 ILE H 1 46 ILE HB 3.100 . 3.130 2.648 2.562 2.765 . 0 0 "[ . 1 . ]" 1 340 1 45 GLU H 1 46 ILE HB 5.500 . 5.550 5.364 5.229 5.552 0.002 16 0 "[ . 1 . ]" 1 341 1 43 ASN HA 1 46 ILE HB 4.300 . 4.340 4.094 4.003 4.318 . 0 0 "[ . 1 . ]" 1 342 1 45 GLU HB2 1 46 ILE HB 5.160 . 5.210 4.545 4.400 4.738 . 0 0 "[ . 1 . ]" 1 343 1 45 GLU HB3 1 46 ILE HB 5.500 . 5.550 5.111 4.930 5.322 . 0 0 "[ . 1 . ]" 1 344 1 46 ILE MD 1 47 LYS H 3.510 . 3.550 3.119 2.903 3.310 . 0 0 "[ . 1 . ]" 1 345 1 43 ASN HA 1 46 ILE MD 4.230 . 4.270 4.192 4.035 4.272 0.002 13 0 "[ . 1 . ]" 1 346 1 46 ILE HA 1 46 ILE MD 3.810 . 3.850 3.401 3.322 3.497 . 0 0 "[ . 1 . ]" 1 347 1 46 ILE HB 1 46 ILE MD 3.210 . 3.240 3.218 3.203 3.233 . 0 0 "[ . 1 . ]" 1 348 1 46 ILE MD 1 47 LYS HG2 3.610 . 3.650 3.541 3.400 3.653 0.003 2 0 "[ . 1 . ]" 1 349 1 46 ILE MD 1 47 LYS HG3 3.610 . 3.650 3.551 3.335 3.661 0.011 10 0 "[ . 1 . ]" 1 350 1 46 ILE H 1 46 ILE MG 3.600 . 3.640 2.003 1.925 2.065 . 0 0 "[ . 1 . ]" 1 351 1 46 ILE MG 1 47 LYS H 3.870 . 3.910 2.062 1.934 2.130 . 0 0 "[ . 1 . ]" 1 352 1 43 ASN HA 1 46 ILE MG 4.470 . 4.510 1.839 1.785 1.981 0.015 4 0 "[ . 1 . ]" 1 353 1 46 ILE MG 1 47 LYS HA 3.870 . 3.910 3.542 3.387 3.742 . 0 0 "[ . 1 . ]" 1 354 1 47 LYS HA 1 50 ALA H 5.190 . 5.240 3.277 3.164 3.464 . 0 0 "[ . 1 . ]" 1 355 1 47 LYS HA 1 49 ILE HB 4.990 . 5.040 4.784 4.538 4.999 . 0 0 "[ . 1 . ]" 1 356 1 47 LYS HA 1 64 ILE MG 4.790 . 4.840 3.814 3.530 3.949 . 0 0 "[ . 1 . ]" 1 357 1 47 LYS HA 1 64 ILE MD 5.500 . 5.550 4.967 4.828 5.096 . 0 0 "[ . 1 . ]" 1 358 1 47 LYS H 1 47 LYS HB3 4.000 . 4.040 3.602 3.557 3.639 . 0 0 "[ . 1 . ]" 1 359 1 48 ALA HA 1 51 GLU H 3.800 . 3.840 3.296 3.166 3.441 . 0 0 "[ . 1 . ]" 1 360 1 48 ALA HA 1 50 ALA H 5.100 . 5.150 4.302 4.188 4.568 . 0 0 "[ . 1 . ]" 1 361 1 48 ALA HA 1 51 GLU HB2 3.620 . 3.660 2.509 2.249 2.858 . 0 0 "[ . 1 . ]" 1 362 1 48 ALA HA 1 51 GLU HB3 4.420 . 4.460 4.013 3.770 4.330 . 0 0 "[ . 1 . ]" 1 363 1 48 ALA HA 1 51 GLU HG3 4.310 . 4.350 2.622 2.367 2.804 . 0 0 "[ . 1 . ]" 1 364 1 10 LEU HG 1 48 ALA HA 5.470 . 5.520 5.166 4.626 5.522 0.002 12 0 "[ . 1 . ]" 1 365 1 48 ALA HA 1 49 ILE MD 5.500 . 5.550 5.314 5.148 5.535 . 0 0 "[ . 1 . ]" 1 366 1 48 ALA H 1 48 ALA MB 2.640 . 2.670 2.242 2.233 2.252 . 0 0 "[ . 1 . ]" 1 367 1 10 LEU HG 1 48 ALA MB 2.860 . 2.890 2.375 1.910 2.660 . 0 0 "[ . 1 . ]" 1 368 1 49 ILE HA 1 52 ASP H 4.210 . 4.250 3.713 3.541 3.821 . 0 0 "[ . 1 . ]" 1 369 1 49 ILE HA 1 52 ASP HB2 4.010 . 4.050 3.949 3.609 4.058 0.008 1 0 "[ . 1 . ]" 1 370 1 49 ILE HA 1 52 ASP HB3 3.940 . 3.980 3.349 3.091 3.800 . 0 0 "[ . 1 . ]" 1 371 1 14 ALA MB 1 49 ILE HA 4.040 . 4.080 3.377 3.055 3.600 . 0 0 "[ . 1 . ]" 1 372 1 49 ILE HA 1 49 ILE MD 3.930 . 3.970 1.960 1.879 2.019 . 0 0 "[ . 1 . ]" 1 373 1 49 ILE HB 1 50 ALA H 3.680 . 3.720 2.574 2.382 2.720 . 0 0 "[ . 1 . ]" 1 374 1 49 ILE H 1 49 ILE HB 3.270 . 3.300 2.567 2.509 2.609 . 0 0 "[ . 1 . ]" 1 375 1 49 ILE HB 1 64 ILE HG12 4.600 . 4.650 4.648 4.528 4.667 0.017 1 0 "[ . 1 . ]" 1 376 1 49 ILE HB 1 49 ILE MD 3.400 . 3.430 3.238 3.221 3.247 . 0 0 "[ . 1 . ]" 1 377 1 49 ILE H 1 49 ILE MG 3.870 . 3.910 3.790 3.778 3.798 . 0 0 "[ . 1 . ]" 1 378 1 49 ILE MG 1 50 ALA H 3.660 . 3.700 3.390 3.188 3.492 . 0 0 "[ . 1 . ]" 1 379 1 49 ILE MG 1 53 LEU H 4.410 . 4.450 4.163 3.902 4.448 . 0 0 "[ . 1 . ]" 1 380 1 49 ILE MG 1 52 ASP H 4.970 . 5.020 4.824 4.515 5.020 . 0 0 "[ . 1 . ]" 1 381 1 14 ALA HA 1 49 ILE MG 3.240 . 3.270 2.874 2.528 3.072 . 0 0 "[ . 1 . ]" 1 382 1 49 ILE HA 1 49 ILE MG 3.250 . 3.280 2.432 2.401 2.486 . 0 0 "[ . 1 . ]" 1 383 1 46 ILE HA 1 49 ILE MG 4.650 . 4.700 4.310 4.199 4.475 . 0 0 "[ . 1 . ]" 1 384 1 49 ILE MG 1 52 ASP HB3 4.450 . 4.490 4.267 3.782 4.497 0.007 12 0 "[ . 1 . ]" 1 385 1 14 ALA MB 1 49 ILE MG 3.020 . 3.050 2.861 2.578 3.054 0.004 6 0 "[ . 1 . ]" 1 386 1 49 ILE MD 1 53 LEU H 5.500 . 5.550 5.431 5.143 5.555 0.005 3 0 "[ . 1 . ]" 1 387 1 12 LYS H 1 49 ILE MD 5.500 . 5.550 5.260 5.058 5.471 . 0 0 "[ . 1 . ]" 1 388 1 13 ILE H 1 49 ILE MD 4.330 . 4.370 3.808 3.697 3.952 . 0 0 "[ . 1 . ]" 1 389 1 9 PHE QD 1 49 ILE MD 4.780 . 4.830 4.523 4.129 4.777 . 0 0 "[ . 1 . ]" 1 390 1 10 LEU HA 1 49 ILE MD 3.430 . 3.460 2.440 2.219 2.625 . 0 0 "[ . 1 . ]" 1 391 1 45 GLU HB3 1 49 ILE MD 4.670 . 4.720 4.379 4.165 4.571 . 0 0 "[ . 1 . ]" 1 392 1 13 ILE HB 1 49 ILE MD 2.820 . 2.850 1.887 1.795 2.012 0.005 5 0 "[ . 1 . ]" 1 393 1 13 ILE MD 1 49 ILE MD 4.340 . 4.380 4.001 3.873 4.199 . 0 0 "[ . 1 . ]" 1 394 1 50 ALA HA 1 52 ASP H 4.910 . 4.960 4.363 4.218 4.552 . 0 0 "[ . 1 . ]" 1 395 1 49 ILE MG 1 50 ALA HA 3.600 . 3.640 3.394 3.234 3.506 . 0 0 "[ . 1 . ]" 1 396 1 50 ALA HA 1 53 LEU HG 4.330 . 4.370 4.067 3.800 4.377 0.007 8 0 "[ . 1 . ]" 1 397 1 50 ALA H 1 50 ALA MB 2.850 . 2.880 2.246 2.238 2.261 . 0 0 "[ . 1 . ]" 1 398 1 50 ALA MB 1 51 GLU H 3.110 . 3.140 2.418 2.274 2.570 . 0 0 "[ . 1 . ]" 1 399 1 51 GLU HA 1 54 GLU H 3.950 . 3.990 3.852 3.413 3.992 0.002 4 0 "[ . 1 . ]" 1 400 1 51 GLU H 1 51 GLU HB2 3.240 . 3.270 2.533 2.395 2.708 . 0 0 "[ . 1 . ]" 1 401 1 51 GLU HB2 1 52 ASP H 3.670 . 3.710 2.653 2.479 2.797 . 0 0 "[ . 1 . ]" 1 402 1 48 ALA MB 1 51 GLU HG3 4.180 . 4.220 4.128 3.866 4.225 0.005 6 0 "[ . 1 . ]" 1 403 1 50 ALA MB 1 51 GLU HG2 4.650 . 4.700 3.163 2.819 3.798 . 0 0 "[ . 1 . ]" 1 404 1 51 GLU HA 1 51 GLU HG2 3.650 . 3.690 2.824 2.469 3.068 . 0 0 "[ . 1 . ]" 1 405 1 51 GLU HA 1 51 GLU HG3 3.950 . 3.990 3.703 3.324 3.860 . 0 0 "[ . 1 . ]" 1 406 1 48 ALA HA 1 51 GLU HG2 4.720 . 4.770 3.384 2.940 4.294 . 0 0 "[ . 1 . ]" 1 407 1 51 GLU HG2 1 52 ASP H 4.770 . 4.820 4.404 4.022 4.835 0.015 3 0 "[ . 1 . ]" 1 408 1 48 ALA H 1 51 GLU HG3 4.920 . 4.970 4.433 4.014 4.680 . 0 0 "[ . 1 . ]" 1 409 1 51 GLU HG3 1 52 ASP H 5.330 . 5.380 4.669 4.102 4.948 . 0 0 "[ . 1 . ]" 1 410 1 51 GLU H 1 51 GLU HG3 3.380 . 3.410 3.064 2.069 3.411 0.001 4 0 "[ . 1 . ]" 1 411 1 51 GLU H 1 51 GLU HG2 3.680 . 3.720 2.250 1.824 3.038 . 0 0 "[ . 1 . ]" 1 412 1 50 ALA H 1 51 GLU HG2 5.280 . 5.330 4.330 3.801 5.338 0.008 8 0 "[ . 1 . ]" 1 413 1 50 ALA H 1 51 GLU HG3 5.250 . 5.300 5.047 4.129 5.314 0.014 12 0 "[ . 1 . ]" 1 414 1 52 ASP HB3 1 53 LEU H 3.680 . 3.720 2.497 2.319 2.721 . 0 0 "[ . 1 . ]" 1 415 1 52 ASP H 1 52 ASP HB2 3.280 . 3.310 2.533 2.419 2.647 . 0 0 "[ . 1 . ]" 1 416 1 52 ASP HB2 1 53 LEU H 3.840 . 3.880 3.757 3.630 3.883 0.003 10 0 "[ . 1 . ]" 1 417 1 51 GLU HB2 1 52 ASP HB3 5.340 . 5.390 5.035 4.858 5.195 . 0 0 "[ . 1 . ]" 1 418 1 51 GLU HB2 1 52 ASP HB2 4.340 . 4.380 4.174 3.945 4.378 . 0 0 "[ . 1 . ]" 1 419 1 14 ALA MB 1 52 ASP HB3 4.060 . 4.100 3.375 2.738 3.890 . 0 0 "[ . 1 . ]" 1 420 1 6 VAL MG1 1 52 ASP HB3 4.600 . 4.650 3.420 3.105 4.123 . 0 0 "[ . 1 . ]" 1 421 1 49 ILE MD 1 52 ASP HB3 5.450 . 5.500 4.326 4.079 4.724 . 0 0 "[ . 1 . ]" 1 422 1 52 ASP HB3 1 53 LEU HG 4.900 . 4.950 3.274 3.023 4.952 0.002 8 0 "[ . 1 . ]" 1 423 1 14 ALA MB 1 52 ASP HB2 5.060 . 5.110 4.329 3.627 4.986 . 0 0 "[ . 1 . ]" 1 424 1 6 VAL MG1 1 52 ASP HB2 4.250 . 4.290 2.087 1.795 2.750 0.005 15 0 "[ . 1 . ]" 1 425 1 49 ILE MD 1 52 ASP HB2 4.930 . 4.980 4.694 4.415 4.849 . 0 0 "[ . 1 . ]" 1 426 1 14 ALA H 1 53 LEU MD1 5.500 . 5.550 5.512 5.232 5.569 0.019 8 0 "[ . 1 . ]" 1 427 1 14 ALA H 1 53 LEU MD2 5.500 . 5.550 5.147 4.386 5.493 . 0 0 "[ . 1 . ]" 1 428 1 53 LEU MD1 1 54 GLU H 5.500 . 5.550 4.753 4.414 5.058 . 0 0 "[ . 1 . ]" 1 429 1 53 LEU MD2 1 54 GLU H 5.500 . 5.550 4.663 4.059 4.744 . 0 0 "[ . 1 . ]" 1 430 1 53 LEU H 1 53 LEU HG 4.870 . 4.920 2.461 2.176 3.898 . 0 0 "[ . 1 . ]" 1 431 1 16 TRP HZ2 1 17 LEU MD1 5.500 . 5.550 5.558 5.554 5.566 0.016 4 0 "[ . 1 . ]" 1 432 1 54 GLU HA 1 54 GLU HG3 4.190 . 4.230 3.433 3.035 3.725 . 0 0 "[ . 1 . ]" 1 433 1 54 GLU H 1 54 GLU HG2 3.940 . 3.980 3.058 2.306 3.583 . 0 0 "[ . 1 . ]" 1 434 1 54 GLU HG2 1 55 LYS H 5.100 . 5.150 4.367 3.469 5.152 0.002 14 0 "[ . 1 . ]" 1 435 1 54 GLU H 1 54 GLU HG3 3.940 . 3.980 2.519 2.001 3.657 . 0 0 "[ . 1 . ]" 1 436 1 54 GLU HG3 1 55 LYS H 5.100 . 5.150 3.377 1.893 5.092 . 0 0 "[ . 1 . ]" 1 437 1 54 GLU HA 1 54 GLU HG2 4.190 . 4.230 3.316 2.382 4.236 0.006 12 0 "[ . 1 . ]" 1 438 1 53 LEU HB2 1 54 GLU HG2 5.330 . 5.380 4.901 3.600 5.395 0.015 3 0 "[ . 1 . ]" 1 439 1 53 LEU HB2 1 54 GLU HG3 5.330 . 5.380 4.701 3.722 5.395 0.015 8 0 "[ . 1 . ]" 1 440 1 43 ASN HA 1 46 ILE H 4.110 . 4.150 3.585 3.479 3.707 . 0 0 "[ . 1 . ]" 1 441 1 43 ASN HA 1 47 LYS H 4.540 . 4.590 3.906 3.745 4.072 . 0 0 "[ . 1 . ]" 1 442 1 56 ARG HA 1 56 ARG HG3 3.990 . 4.030 3.265 2.902 3.927 . 0 0 "[ . 1 . ]" 1 443 1 56 ARG HA 1 56 ARG HD3 4.970 . 5.020 4.239 2.127 4.717 . 0 0 "[ . 1 . ]" 1 444 1 56 ARG HA 1 56 ARG HD2 4.970 . 5.020 4.296 2.003 5.006 . 0 0 "[ . 1 . ]" 1 445 1 56 ARG H 1 56 ARG HG2 4.120 . 4.160 3.222 1.877 3.944 . 0 0 "[ . 1 . ]" 1 446 1 56 ARG H 1 56 ARG HG3 4.120 . 4.160 2.613 2.011 3.796 . 0 0 "[ . 1 . ]" 1 447 1 56 ARG HA 1 56 ARG HG2 3.990 . 4.030 2.765 2.448 3.364 . 0 0 "[ . 1 . ]" 1 448 1 60 ASP H 1 60 ASP HB3 4.040 . 4.080 3.012 2.468 4.100 0.020 9 0 "[ . 1 . ]" 1 449 1 60 ASP HB3 1 61 HIS H 4.650 . 4.700 3.627 2.683 4.622 . 0 0 "[ . 1 . ]" 1 450 1 60 ASP HB2 1 61 HIS H 4.650 . 4.700 3.578 2.215 4.433 . 0 0 "[ . 1 . ]" 1 451 1 60 ASP H 1 60 ASP HB2 4.040 . 4.080 3.114 2.299 4.063 . 0 0 "[ . 1 . ]" 1 452 1 82 GLU H 1 82 GLU HB3 3.740 . 3.780 2.507 2.287 2.681 . 0 0 "[ . 1 . ]" 1 453 1 82 GLU HB2 1 83 ARG H 4.260 . 4.300 3.860 3.725 4.042 . 0 0 "[ . 1 . ]" 1 454 1 82 GLU HB3 1 83 ARG H 4.260 . 4.300 3.551 2.311 4.057 . 0 0 "[ . 1 . ]" 1 455 1 64 ILE HA 1 67 LEU H 4.600 . 4.650 3.868 3.751 4.017 . 0 0 "[ . 1 . ]" 1 456 1 64 ILE HA 1 67 LEU HB2 3.670 . 3.710 3.723 3.712 3.733 0.023 14 0 "[ . 1 . ]" 1 457 1 64 ILE HA 1 64 ILE MG 3.500 . 3.540 3.213 3.205 3.231 . 0 0 "[ . 1 . ]" 1 458 1 50 ALA HA 1 64 ILE HB 5.040 . 5.090 4.682 4.359 5.079 . 0 0 "[ . 1 . ]" 1 459 1 64 ILE HB 1 65 GLY H 4.230 . 4.270 4.091 3.869 4.171 . 0 0 "[ . 1 . ]" 1 460 1 64 ILE HG13 1 65 GLY H 4.540 . 4.590 4.597 4.589 4.608 0.018 3 0 "[ . 1 . ]" 1 461 1 64 ILE HG12 1 65 GLY H 4.090 . 4.130 3.942 3.853 4.033 . 0 0 "[ . 1 . ]" 1 462 1 34 LEU MD2 1 64 ILE HG13 3.570 . 3.610 1.842 1.792 2.347 0.008 11 0 "[ . 1 . ]" 1 463 1 64 ILE HG12 1 65 GLY HA2 4.500 . 4.540 3.749 3.647 3.851 . 0 0 "[ . 1 . ]" 1 464 1 47 LYS HA 1 64 ILE HG12 5.320 . 5.370 5.349 5.211 5.381 0.011 15 0 "[ . 1 . ]" 1 465 1 64 ILE MG 1 65 GLY H 3.560 . 3.600 2.261 2.007 2.418 . 0 0 "[ . 1 . ]" 1 466 1 47 LYS H 1 64 ILE MG 5.380 . 5.430 5.373 5.154 5.448 0.018 8 0 "[ . 1 . ]" 1 467 1 50 ALA HA 1 64 ILE MG 3.850 . 3.890 2.877 2.562 3.270 . 0 0 "[ . 1 . ]" 1 468 1 64 ILE MG 1 65 GLY HA2 3.690 . 3.730 3.384 3.205 3.506 . 0 0 "[ . 1 . ]" 1 469 1 64 ILE HG12 1 64 ILE MG 2.960 . 2.990 2.268 2.242 2.297 . 0 0 "[ . 1 . ]" 1 470 1 64 ILE MD 1 65 GLY H 5.050 . 5.100 4.871 4.671 4.970 . 0 0 "[ . 1 . ]" 1 471 1 47 LYS H 1 64 ILE MD 5.500 . 5.550 5.486 5.319 5.555 0.005 1 0 "[ . 1 . ]" 1 472 1 64 ILE HA 1 64 ILE MD 3.610 . 3.650 3.660 3.648 3.668 0.018 14 0 "[ . 1 . ]" 1 473 1 65 GLY HA3 1 68 ILE HB 5.100 . 5.150 4.869 4.673 5.040 . 0 0 "[ . 1 . ]" 1 474 1 65 GLY HA2 1 68 ILE HB 3.830 . 3.870 3.764 3.541 3.874 0.004 8 0 "[ . 1 . ]" 1 475 1 64 ILE MG 1 65 GLY HA3 4.440 . 4.480 3.540 3.264 3.701 . 0 0 "[ . 1 . ]" 1 476 1 66 VAL HA 1 66 VAL MG1 3.400 . 3.430 2.765 2.427 3.231 . 0 0 "[ . 1 . ]" 1 477 1 66 VAL HA 1 66 VAL MG2 3.400 . 3.430 2.366 2.318 2.401 . 0 0 "[ . 1 . ]" 1 478 1 67 LEU HA 1 70 GLN H 4.740 . 4.790 3.292 3.033 3.442 . 0 0 "[ . 1 . ]" 1 479 1 67 LEU HA 1 67 LEU MD1 3.390 . 3.420 1.888 1.829 1.949 . 0 0 "[ . 1 . ]" 1 480 1 67 LEU HA 1 70 GLN HB2 4.110 . 4.150 3.031 2.458 3.283 . 0 0 "[ . 1 . ]" 1 481 1 67 LEU HB2 1 68 ILE H 4.680 . 4.730 2.767 2.678 2.952 . 0 0 "[ . 1 . ]" 1 482 1 67 LEU H 1 67 LEU HG 4.970 . 5.020 4.051 4.003 4.102 . 0 0 "[ . 1 . ]" 1 483 1 64 ILE HA 1 67 LEU HG 4.910 . 4.960 4.493 4.333 4.730 . 0 0 "[ . 1 . ]" 1 484 1 34 LEU HB2 1 67 LEU HG 3.750 . 3.790 3.325 2.875 3.634 . 0 0 "[ . 1 . ]" 1 485 1 33 LEU HB3 1 67 LEU HG 4.720 . 4.770 4.431 4.244 4.587 . 0 0 "[ . 1 . ]" 1 486 1 67 LEU H 1 67 LEU MD1 4.930 . 4.980 3.050 2.925 3.226 . 0 0 "[ . 1 . ]" 1 487 1 67 LEU HB2 1 67 LEU MD1 3.250 . 3.280 3.185 3.168 3.208 . 0 0 "[ . 1 . ]" 1 488 1 67 LEU HB3 1 67 LEU MD1 3.550 . 3.590 2.623 2.550 2.676 . 0 0 "[ . 1 . ]" 1 489 1 68 ILE H 1 68 ILE HB 3.200 . 3.230 2.599 2.546 2.653 . 0 0 "[ . 1 . ]" 1 490 1 68 ILE HB 1 69 THR H 3.660 . 3.700 2.794 2.657 2.869 . 0 0 "[ . 1 . ]" 1 491 1 68 ILE HB 1 69 THR HA 5.390 . 5.440 4.258 4.192 4.352 . 0 0 "[ . 1 . ]" 1 492 1 68 ILE HA 1 68 ILE HG12 3.690 . 3.730 2.544 2.493 2.590 . 0 0 "[ . 1 . ]" 1 493 1 68 ILE H 1 68 ILE HG12 3.960 . 4.000 3.231 3.132 3.354 . 0 0 "[ . 1 . ]" 1 494 1 65 GLY HA2 1 68 ILE HG13 4.130 . 4.170 3.071 2.797 3.480 . 0 0 "[ . 1 . ]" 1 495 1 34 LEU HG 1 68 ILE HG13 3.330 . 3.360 3.012 2.778 3.317 . 0 0 "[ . 1 . ]" 1 496 1 68 ILE HG12 1 68 ILE MG 3.150 . 3.180 2.424 2.401 2.448 . 0 0 "[ . 1 . ]" 1 497 1 38 THR MG 1 68 ILE HG12 4.330 . 4.370 2.237 1.916 2.614 . 0 0 "[ . 1 . ]" 1 498 1 68 ILE H 1 68 ILE MG 3.820 . 3.860 3.785 3.779 3.794 . 0 0 "[ . 1 . ]" 1 499 1 68 ILE MG 1 69 THR H 4.000 . 4.040 3.649 3.505 3.753 . 0 0 "[ . 1 . ]" 1 500 1 68 ILE MG 1 72 THR H 4.350 . 4.390 3.981 3.733 4.341 . 0 0 "[ . 1 . ]" 1 501 1 68 ILE MG 1 70 GLN H 5.150 . 5.200 4.910 4.790 4.993 . 0 0 "[ . 1 . ]" 1 502 1 68 ILE MG 1 71 MET H 5.030 . 5.080 4.686 4.511 4.872 . 0 0 "[ . 1 . ]" 1 503 1 43 ASN HD21 1 68 ILE MG 5.200 . 5.250 4.186 3.449 4.872 . 0 0 "[ . 1 . ]" 1 504 1 68 ILE MG 1 69 THR HA 3.770 . 3.810 3.598 3.485 3.769 . 0 0 "[ . 1 . ]" 1 505 1 68 ILE HA 1 68 ILE MG 3.130 . 3.160 2.403 2.360 2.455 . 0 0 "[ . 1 . ]" 1 506 1 68 ILE HG13 1 68 ILE MG 3.340 . 3.370 3.215 3.210 3.220 . 0 0 "[ . 1 . ]" 1 507 1 68 ILE H 1 68 ILE MD 3.720 . 3.760 3.606 3.569 3.666 . 0 0 "[ . 1 . ]" 1 508 1 46 ILE H 1 68 ILE MD 5.500 . 5.550 5.272 5.051 5.561 0.011 11 0 "[ . 1 . ]" 1 509 1 47 LYS H 1 68 ILE MD 5.500 . 5.550 5.067 4.604 5.500 . 0 0 "[ . 1 . ]" 1 510 1 65 GLY H 1 68 ILE MD 5.500 . 5.550 5.131 4.895 5.470 . 0 0 "[ . 1 . ]" 1 511 1 68 ILE MD 1 69 THR H 5.220 . 5.270 4.739 4.621 4.814 . 0 0 "[ . 1 . ]" 1 512 1 43 ASN HD21 1 68 ILE MD 4.200 . 4.240 3.638 2.928 4.246 0.006 4 0 "[ . 1 . ]" 1 513 1 43 ASN HD22 1 68 ILE MD 4.460 . 4.500 3.955 3.163 4.422 . 0 0 "[ . 1 . ]" 1 514 1 43 ASN HA 1 68 ILE MD 5.090 . 5.140 4.030 3.589 4.643 . 0 0 "[ . 1 . ]" 1 515 1 65 GLY HA3 1 68 ILE MD 4.660 . 4.710 4.095 3.755 4.508 . 0 0 "[ . 1 . ]" 1 516 1 65 GLY HA2 1 68 ILE MD 3.360 . 3.390 2.776 2.522 3.137 . 0 0 "[ . 1 . ]" 1 517 1 68 ILE HB 1 68 ILE MD 2.920 . 2.950 2.460 2.448 2.471 . 0 0 "[ . 1 . ]" 1 518 1 69 THR HA 1 72 THR HB 4.210 . 4.250 3.711 3.239 4.169 . 0 0 "[ . 1 . ]" 1 519 1 69 THR H 1 69 THR HB 3.320 . 3.350 2.559 2.416 2.624 . 0 0 "[ . 1 . ]" 1 520 1 66 VAL HA 1 69 THR HB 3.780 . 3.820 3.204 3.040 3.452 . 0 0 "[ . 1 . ]" 1 521 1 69 THR H 1 69 THR MG 3.980 . 4.020 3.768 3.741 3.783 . 0 0 "[ . 1 . ]" 1 522 1 69 THR MG 1 70 GLN H 4.050 . 4.090 3.766 3.515 3.842 . 0 0 "[ . 1 . ]" 1 523 1 69 THR HA 1 69 THR MG 3.030 . 3.060 2.383 2.338 2.460 . 0 0 "[ . 1 . ]" 1 524 1 66 VAL HA 1 69 THR MG 4.550 . 4.600 4.351 4.193 4.605 0.005 8 0 "[ . 1 . ]" 1 525 1 70 GLN HA 1 73 ASP H 3.920 . 3.960 3.747 3.637 3.856 . 0 0 "[ . 1 . ]" 1 526 1 69 THR MG 1 70 GLN HA 4.630 . 4.680 3.800 3.621 3.947 . 0 0 "[ . 1 . ]" 1 527 1 70 GLN HA 1 72 THR MG 4.900 . 4.950 4.095 3.911 4.473 . 0 0 "[ . 1 . ]" 1 528 1 69 THR H 1 70 GLN HB2 5.500 . 5.550 4.882 4.563 5.007 . 0 0 "[ . 1 . ]" 1 529 1 70 GLN HB2 1 72 THR H 5.500 . 5.550 4.978 4.850 5.122 . 0 0 "[ . 1 . ]" 1 530 1 31 VAL MG2 1 70 GLN HB2 3.790 . 3.830 3.355 3.233 3.596 . 0 0 "[ . 1 . ]" 1 531 1 31 VAL MG1 1 70 GLN HB2 4.090 . 4.130 2.891 2.551 3.025 . 0 0 "[ . 1 . ]" 1 532 1 67 LEU MD1 1 70 GLN HB2 4.230 . 4.270 3.592 3.159 3.854 . 0 0 "[ . 1 . ]" 1 533 1 67 LEU MD1 1 70 GLN HB3 5.270 . 5.320 4.473 3.721 4.786 . 0 0 "[ . 1 . ]" 1 534 1 31 VAL MG1 1 70 GLN HB3 4.140 . 4.180 3.550 2.626 3.738 . 0 0 "[ . 1 . ]" 1 535 1 31 VAL MG2 1 70 GLN HB3 3.760 . 3.800 3.718 3.245 3.810 0.010 17 0 "[ . 1 . ]" 1 536 1 70 GLN HB3 1 71 MET H 3.920 . 3.960 3.672 3.443 3.777 . 0 0 "[ . 1 . ]" 1 537 1 70 GLN HB3 1 73 ASP H 5.490 . 5.540 5.326 5.177 5.468 . 0 0 "[ . 1 . ]" 1 538 1 70 GLN HG3 1 71 MET H 4.540 . 4.590 3.952 3.724 4.484 . 0 0 "[ . 1 . ]" 1 539 1 69 THR H 1 70 GLN HG3 4.950 . 5.000 4.082 3.728 5.012 0.012 8 0 "[ . 1 . ]" 1 540 1 70 GLN HA 1 70 GLN HG3 3.750 . 3.790 3.515 3.413 3.793 0.003 8 0 "[ . 1 . ]" 1 541 1 69 THR H 1 70 GLN HG2 4.830 . 4.880 4.792 3.857 4.893 0.013 17 0 "[ . 1 . ]" 1 542 1 70 GLN HG2 1 71 MET H 4.560 . 4.610 4.564 4.173 4.617 0.007 13 0 "[ . 1 . ]" 1 543 1 70 GLN HA 1 70 GLN HG2 3.450 . 3.480 2.610 2.515 2.815 . 0 0 "[ . 1 . ]" 1 544 1 69 THR MG 1 70 GLN HG2 5.010 . 5.060 4.121 3.933 4.320 . 0 0 "[ . 1 . ]" 1 545 1 31 VAL MG2 1 70 GLN HG2 5.120 . 5.170 4.908 4.686 5.028 . 0 0 "[ . 1 . ]" 1 546 1 67 LEU MD1 1 70 GLN HG2 4.640 . 4.690 4.351 3.427 4.652 . 0 0 "[ . 1 . ]" 1 547 1 67 LEU MD1 1 70 GLN HG3 4.570 . 4.620 3.091 2.146 3.443 . 0 0 "[ . 1 . ]" 1 548 1 31 VAL MG1 1 70 GLN HG3 4.620 . 4.670 4.565 3.662 4.681 0.011 5 0 "[ . 1 . ]" 1 549 1 31 VAL MG2 1 70 GLN HG3 4.290 . 4.330 4.066 3.208 4.337 0.007 5 0 "[ . 1 . ]" 1 550 1 69 THR MG 1 70 GLN HG3 5.380 . 5.430 4.807 4.639 5.434 0.004 8 0 "[ . 1 . ]" 1 551 1 71 MET HA 1 73 ASP H 4.890 . 4.940 3.952 3.776 4.107 . 0 0 "[ . 1 . ]" 1 552 1 75 MET H 1 75 MET HB3 3.770 . 3.810 2.934 2.488 3.617 . 0 0 "[ . 1 . ]" 1 553 1 75 MET HB3 1 76 PRO HD2 4.790 . 4.840 3.260 2.248 3.726 . 0 0 "[ . 1 . ]" 1 554 1 75 MET HB2 1 76 PRO HD2 4.790 . 4.840 2.799 1.990 4.220 . 0 0 "[ . 1 . ]" 1 555 1 75 MET H 1 75 MET HG3 4.080 . 4.120 3.164 2.209 3.803 . 0 0 "[ . 1 . ]" 1 556 1 75 MET HG3 1 76 PRO HD2 4.700 . 4.750 4.084 3.550 4.752 0.002 8 0 "[ . 1 . ]" 1 557 1 71 MET H 1 72 THR HA 5.430 . 5.480 5.354 5.298 5.454 . 0 0 "[ . 1 . ]" 1 558 1 71 MET HB2 1 72 THR HA 4.310 . 4.350 4.304 4.155 4.358 0.008 2 0 "[ . 1 . ]" 1 559 1 72 THR HA 1 72 THR MG 3.230 . 3.260 3.215 3.188 3.223 . 0 0 "[ . 1 . ]" 1 560 1 72 THR H 1 72 THR HB 3.020 . 3.050 2.390 2.268 2.464 . 0 0 "[ . 1 . ]" 1 561 1 72 THR HB 1 73 ASP HB2 5.500 . 5.550 5.563 5.557 5.568 0.018 1 0 "[ . 1 . ]" 1 562 1 72 THR MG 1 73 ASP H 3.260 . 3.290 2.430 2.305 2.535 . 0 0 "[ . 1 . ]" 1 563 1 71 MET H 1 72 THR MG 4.550 . 4.600 4.267 4.095 4.538 . 0 0 "[ . 1 . ]" 1 564 1 69 THR HA 1 72 THR MG 3.000 . 3.030 2.512 2.313 2.759 . 0 0 "[ . 1 . ]" 1 565 1 72 THR MG 1 73 ASP HA 4.730 . 4.780 3.209 3.075 3.378 . 0 0 "[ . 1 . ]" 1 566 1 72 THR MG 1 73 ASP HB2 4.200 . 4.240 2.790 2.661 2.930 . 0 0 "[ . 1 . ]" 1 567 1 70 GLN HA 1 73 ASP HB2 4.180 . 4.220 4.107 3.840 4.227 0.007 13 0 "[ . 1 . ]" 1 568 1 70 GLN HA 1 73 ASP HB3 4.610 . 4.660 3.227 3.012 3.424 . 0 0 "[ . 1 . ]" 1 569 1 73 ASP HB3 1 74 GLU HA 4.650 . 4.700 4.698 4.653 4.709 0.009 3 0 "[ . 1 . ]" 1 570 1 73 ASP H 1 73 ASP HB2 2.810 . 2.840 2.722 2.605 2.831 . 0 0 "[ . 1 . ]" 1 571 1 74 GLU HA 1 75 MET H 2.660 . 2.690 2.171 2.143 2.193 . 0 0 "[ . 1 . ]" 1 572 1 74 GLU HA 1 74 GLU HG2 3.770 . 3.810 3.178 2.984 3.778 . 0 0 "[ . 1 . ]" 1 573 1 74 GLU HA 1 74 GLU HG3 3.770 . 3.810 2.681 2.518 2.969 . 0 0 "[ . 1 . ]" 1 574 1 74 GLU H 1 74 GLU HG3 4.810 . 4.860 4.797 4.446 4.862 0.002 4 0 "[ . 1 . ]" 1 575 1 74 GLU H 1 74 GLU HG2 4.810 . 4.860 4.460 4.333 4.875 0.015 17 0 "[ . 1 . ]" 1 576 1 71 MET H 1 71 MET HG3 4.270 . 4.310 2.454 2.345 2.527 . 0 0 "[ . 1 . ]" 1 577 1 71 MET HG3 1 72 THR H 4.710 . 4.760 4.559 4.455 4.633 . 0 0 "[ . 1 . ]" 1 578 1 71 MET H 1 71 MET HG2 4.220 . 4.260 3.850 3.783 3.895 . 0 0 "[ . 1 . ]" 1 579 1 71 MET HG2 1 72 THR H 5.390 . 5.440 5.172 5.036 5.231 . 0 0 "[ . 1 . ]" 1 580 1 71 MET HA 1 71 MET HG2 3.800 . 3.840 2.966 2.885 3.268 . 0 0 "[ . 1 . ]" 1 581 1 68 ILE HA 1 71 MET HG3 4.660 . 4.710 3.997 3.764 4.444 . 0 0 "[ . 1 . ]" 1 582 1 71 MET HA 1 71 MET HG3 3.710 . 3.750 2.573 2.481 2.651 . 0 0 "[ . 1 . ]" 1 583 1 35 ALA MB 1 71 MET HG3 4.700 . 4.750 3.756 3.047 4.069 . 0 0 "[ . 1 . ]" 1 584 1 71 MET HG3 1 76 PRO HB3 5.360 . 5.410 5.417 5.410 5.422 0.012 17 0 "[ . 1 . ]" 1 585 1 31 VAL MG1 1 71 MET HG2 3.720 . 3.760 2.890 2.700 3.412 . 0 0 "[ . 1 . ]" 1 586 1 35 ALA MB 1 71 MET HG2 4.500 . 4.540 2.338 1.799 2.613 0.001 8 0 "[ . 1 . ]" 1 587 1 71 MET ME 1 72 THR H 4.190 . 4.230 4.068 3.848 4.231 0.001 2 0 "[ . 1 . ]" 1 588 1 71 MET H 1 71 MET ME 3.930 . 3.970 3.935 3.668 3.980 0.010 12 0 "[ . 1 . ]" 1 589 1 35 ALA HA 1 71 MET ME 3.140 . 3.170 1.855 1.796 1.954 0.004 7 0 "[ . 1 . ]" 1 590 1 68 ILE MG 1 71 MET ME 3.010 . 3.040 2.704 2.497 2.821 . 0 0 "[ . 1 . ]" 1 591 1 38 THR MG 1 71 MET ME 2.780 . 2.810 2.197 2.015 2.548 . 0 0 "[ . 1 . ]" 1 592 1 71 MET ME 1 71 MET HG3 3.510 . 3.550 3.389 3.375 3.405 . 0 0 "[ . 1 . ]" 1 593 1 71 MET ME 1 71 MET HG2 2.830 . 2.860 2.665 2.591 2.722 . 0 0 "[ . 1 . ]" 1 594 1 75 MET ME 1 76 PRO HD2 3.660 . 3.700 3.266 1.912 3.705 0.005 13 0 "[ . 1 . ]" 1 595 1 75 MET H 1 75 MET ME 4.690 . 4.740 4.724 4.683 4.749 0.009 8 0 "[ . 1 . ]" 1 596 1 75 MET ME 1 81 ILE MD 3.460 . 3.490 2.572 2.147 2.825 . 0 0 "[ . 1 . ]" 1 597 1 31 VAL MG1 1 76 PRO HA 4.950 . 5.000 3.406 3.254 3.666 . 0 0 "[ . 1 . ]" 1 598 1 76 PRO HB3 1 77 ARG H 3.890 . 3.930 3.389 3.326 3.460 . 0 0 "[ . 1 . ]" 1 599 1 76 PRO HB2 1 80 ASP HB2 4.510 . 4.560 3.203 2.728 3.448 . 0 0 "[ . 1 . ]" 1 600 1 76 PRO HB3 1 80 ASP HB2 5.130 . 5.180 4.893 4.371 5.121 . 0 0 "[ . 1 . ]" 1 601 1 31 VAL MG1 1 76 PRO HB2 3.470 . 3.500 3.509 3.503 3.523 0.023 4 0 "[ . 1 . ]" 1 602 1 76 PRO HB2 1 81 ILE MD 4.910 . 4.960 4.922 4.603 4.967 0.007 3 0 "[ . 1 . ]" 1 603 1 76 PRO HG2 1 77 ARG H 3.520 . 3.560 1.879 1.793 2.023 0.007 4 0 "[ . 1 . ]" 1 604 1 76 PRO HG2 1 78 GLU H 5.500 . 5.550 5.435 5.252 5.552 0.002 7 0 "[ . 1 . ]" 1 605 1 76 PRO HG2 1 80 ASP H 5.500 . 5.550 5.453 5.299 5.555 0.005 7 0 "[ . 1 . ]" 1 606 1 31 VAL MG1 1 76 PRO HD2 3.970 . 4.010 3.274 3.231 3.335 . 0 0 "[ . 1 . ]" 1 607 1 75 MET HG2 1 76 PRO HD2 4.700 . 4.750 4.314 3.376 4.763 0.013 16 0 "[ . 1 . ]" 1 608 1 71 MET HG2 1 76 PRO HD2 4.410 . 4.450 3.743 3.449 4.259 . 0 0 "[ . 1 . ]" 1 609 1 35 ALA MB 1 76 PRO HD2 4.340 . 4.380 3.080 2.690 3.407 . 0 0 "[ . 1 . ]" 1 610 1 35 ALA MB 1 76 PRO HD3 4.410 . 4.450 3.424 3.055 3.822 . 0 0 "[ . 1 . ]" 1 611 1 71 MET HG2 1 76 PRO HD3 4.200 . 4.240 3.120 2.778 4.000 . 0 0 "[ . 1 . ]" 1 612 1 71 MET HG3 1 76 PRO HD3 4.580 . 4.630 3.484 3.300 3.735 . 0 0 "[ . 1 . ]" 1 613 1 75 MET HG2 1 76 PRO HD3 5.500 . 5.550 5.232 4.198 5.567 0.017 15 0 "[ . 1 . ]" 1 614 1 75 MET HG3 1 76 PRO HD3 5.500 . 5.550 5.114 4.769 5.560 0.010 14 0 "[ . 1 . ]" 1 615 1 71 MET HG3 1 76 PRO HD2 5.170 . 5.220 4.735 4.230 5.153 . 0 0 "[ . 1 . ]" 1 616 1 77 ARG HA 1 77 ARG HD2 5.380 . 5.430 3.952 2.156 4.887 . 0 0 "[ . 1 . ]" 1 617 1 77 ARG HA 1 77 ARG HD3 5.380 . 5.430 3.677 1.917 4.755 . 0 0 "[ . 1 . ]" 1 618 1 77 ARG HB2 1 79 GLU H 5.030 . 5.080 4.150 3.698 4.761 . 0 0 "[ . 1 . ]" 1 619 1 77 ARG HB2 1 78 GLU H 4.550 . 4.600 4.130 3.880 4.395 . 0 0 "[ . 1 . ]" 1 620 1 77 ARG HB3 1 79 GLU H 4.530 . 4.580 2.831 2.387 3.548 . 0 0 "[ . 1 . ]" 1 621 1 77 ARG H 1 77 ARG HB3 3.810 . 3.850 3.604 2.971 3.859 0.009 5 0 "[ . 1 . ]" 1 622 1 77 ARG HB3 1 80 ASP H 4.000 . 4.040 2.312 2.028 2.699 . 0 0 "[ . 1 . ]" 1 623 1 77 ARG HB3 1 77 ARG HD2 4.080 . 4.120 2.754 2.333 3.844 . 0 0 "[ . 1 . ]" 1 624 1 77 ARG HB3 1 77 ARG HD3 4.080 . 4.120 2.990 2.356 3.734 . 0 0 "[ . 1 . ]" 1 625 1 77 ARG HD2 1 78 GLU H 5.500 . 5.550 4.692 2.862 5.570 0.020 3 0 "[ . 1 . ]" 1 626 1 77 ARG HD3 1 78 GLU H 5.500 . 5.550 4.572 3.466 5.195 . 0 0 "[ . 1 . ]" 1 627 1 77 ARG HB2 1 77 ARG HD2 3.900 . 3.940 2.978 2.355 3.739 . 0 0 "[ . 1 . ]" 1 628 1 77 ARG HB2 1 77 ARG HD3 3.900 . 3.940 3.377 2.343 3.950 0.010 11 0 "[ . 1 . ]" 1 629 1 77 ARG HA 1 78 GLU HA 4.540 . 4.590 4.367 4.317 4.425 . 0 0 "[ . 1 . ]" 1 630 1 78 GLU HA 1 78 GLU HG2 3.540 . 3.580 2.652 2.443 3.582 0.002 11 0 "[ . 1 . ]" 1 631 1 78 GLU HA 1 81 ILE HG13 4.200 . 4.240 3.021 2.638 3.373 . 0 0 "[ . 1 . ]" 1 632 1 78 GLU HA 1 81 ILE MG 4.350 . 4.390 3.778 3.350 3.959 . 0 0 "[ . 1 . ]" 1 633 1 78 GLU HA 1 81 ILE MD 3.250 . 3.280 2.167 1.906 2.418 . 0 0 "[ . 1 . ]" 1 634 1 79 GLU HA 1 82 GLU H 3.930 . 3.970 3.651 3.499 3.818 . 0 0 "[ . 1 . ]" 1 635 1 79 GLU HA 1 81 ILE H 5.020 . 5.070 4.473 4.364 4.696 . 0 0 "[ . 1 . ]" 1 636 1 79 GLU HA 1 83 ARG H 5.300 . 5.350 4.077 3.921 4.253 . 0 0 "[ . 1 . ]" 1 637 1 77 ARG HA 1 78 GLU HG3 4.480 . 4.520 4.031 3.845 4.530 0.010 9 0 "[ . 1 . ]" 1 638 1 78 GLU HG3 1 81 ILE MD 4.920 . 4.970 3.746 2.287 4.258 . 0 0 "[ . 1 . ]" 1 639 1 78 GLU HG2 1 81 ILE MG 5.030 . 5.080 4.933 4.387 5.091 0.011 11 0 "[ . 1 . ]" 1 640 1 79 GLU HG2 1 80 ASP H 5.500 . 5.550 3.893 2.869 5.017 . 0 0 "[ . 1 . ]" 1 641 1 79 GLU HG3 1 80 ASP H 5.500 . 5.550 4.179 1.851 5.041 . 0 0 "[ . 1 . ]" 1 642 1 79 GLU HB2 1 80 ASP H 4.680 . 4.730 3.595 2.460 3.931 . 0 0 "[ . 1 . ]" 1 643 1 79 GLU HB3 1 80 ASP H 4.680 . 4.730 2.847 2.393 4.049 . 0 0 "[ . 1 . ]" 1 644 1 32 PRO HD3 1 80 ASP HB2 5.230 . 5.280 4.336 3.883 4.695 . 0 0 "[ . 1 . ]" 1 645 1 77 ARG HB3 1 80 ASP HB2 3.460 . 3.490 3.203 2.327 3.503 0.013 6 0 "[ . 1 . ]" 1 646 1 32 PRO HG3 1 80 ASP HB3 3.430 . 3.460 2.001 1.796 2.250 0.004 16 0 "[ . 1 . ]" 1 647 1 80 ASP HB3 1 81 ILE H 4.060 . 4.100 3.572 3.361 3.661 . 0 0 "[ . 1 . ]" 1 648 1 81 ILE HA 1 85 ARG H 5.000 . 5.050 3.931 3.794 4.093 . 0 0 "[ . 1 . ]" 1 649 1 81 ILE HA 1 84 VAL HB 4.120 . 4.160 4.129 3.943 4.166 0.006 7 0 "[ . 1 . ]" 1 650 1 81 ILE HA 1 81 ILE HG13 3.800 . 3.840 2.934 2.897 3.012 . 0 0 "[ . 1 . ]" 1 651 1 81 ILE HA 1 81 ILE MG 3.150 . 3.180 2.486 2.446 2.564 . 0 0 "[ . 1 . ]" 1 652 1 81 ILE HA 1 81 ILE MD 3.940 . 3.980 3.835 3.810 3.872 . 0 0 "[ . 1 . ]" 1 653 1 80 ASP H 1 81 ILE HB 4.870 . 4.920 4.735 4.512 4.862 . 0 0 "[ . 1 . ]" 1 654 1 78 GLU HA 1 81 ILE HB 3.710 . 3.750 2.390 1.928 2.600 . 0 0 "[ . 1 . ]" 1 655 1 81 ILE HB 1 81 ILE MD 3.390 . 3.420 2.426 2.396 2.455 . 0 0 "[ . 1 . ]" 1 656 1 81 ILE HA 1 81 ILE HG12 4.190 . 4.230 2.519 2.465 2.592 . 0 0 "[ . 1 . ]" 1 657 1 81 ILE MG 1 82 GLU H 3.690 . 3.730 3.274 3.066 3.443 . 0 0 "[ . 1 . ]" 1 658 1 36 LEU H 1 81 ILE MG 4.260 . 4.300 3.560 3.088 3.846 . 0 0 "[ . 1 . ]" 1 659 1 81 ILE H 1 81 ILE MG 3.840 . 3.880 3.776 3.753 3.792 . 0 0 "[ . 1 . ]" 1 660 1 82 GLU H 1 82 GLU HG3 4.220 . 4.260 3.413 2.391 4.279 0.019 2 0 "[ . 1 . ]" 1 661 1 83 ARG H 1 83 ARG HB2 3.580 . 3.620 2.630 2.193 3.568 . 0 0 "[ . 1 . ]" 1 662 1 83 ARG H 1 83 ARG HB3 3.580 . 3.620 2.710 2.019 3.622 0.002 16 0 "[ . 1 . ]" 1 663 1 83 ARG HG3 1 84 VAL H 5.030 . 5.080 4.220 2.317 4.943 . 0 0 "[ . 1 . ]" 1 664 1 84 VAL HA 1 86 ARG H 5.050 . 5.100 4.492 4.395 4.629 . 0 0 "[ . 1 . ]" 1 665 1 84 VAL HA 1 87 HIS HB2 4.210 . 4.250 3.386 3.025 3.772 . 0 0 "[ . 1 . ]" 1 666 1 84 VAL HA 1 84 VAL MG1 3.240 . 3.270 3.232 3.227 3.237 . 0 0 "[ . 1 . ]" 1 667 1 84 VAL HA 1 87 HIS HB3 3.850 . 3.890 2.549 2.363 2.914 . 0 0 "[ . 1 . ]" 1 668 1 84 VAL HB 1 85 ARG H 3.830 . 3.870 3.845 3.783 3.875 0.005 8 0 "[ . 1 . ]" 1 669 1 85 ARG HA 1 89 ALA H 4.830 . 4.880 4.076 3.947 4.142 . 0 0 "[ . 1 . ]" 1 670 1 85 ARG HA 1 88 LEU H 4.690 . 4.740 3.445 3.316 3.643 . 0 0 "[ . 1 . ]" 1 671 1 85 ARG HA 1 93 TRP HZ3 3.780 . 3.820 2.715 2.473 3.002 . 0 0 "[ . 1 . ]" 1 672 1 85 ARG HA 1 93 TRP HH2 4.420 . 4.460 3.955 3.633 4.377 . 0 0 "[ . 1 . ]" 1 673 1 85 ARG HA 1 88 LEU HB2 3.890 . 3.930 2.513 2.340 2.714 . 0 0 "[ . 1 . ]" 1 674 1 85 ARG HA 1 85 ARG HG2 3.940 . 3.980 3.808 3.765 3.841 . 0 0 "[ . 1 . ]" 1 675 1 85 ARG HA 1 85 ARG HG3 3.940 . 3.980 3.723 3.597 3.782 . 0 0 "[ . 1 . ]" 1 676 1 84 VAL MG1 1 85 ARG HA 4.870 . 4.920 3.080 3.018 3.146 . 0 0 "[ . 1 . ]" 1 677 1 85 ARG HA 1 88 LEU HG 3.930 . 3.970 3.766 3.567 3.981 0.011 16 0 "[ . 1 . ]" 1 678 1 36 LEU HG 1 85 ARG HB2 4.390 . 4.430 2.574 2.228 3.099 . 0 0 "[ . 1 . ]" 1 679 1 36 LEU HG 1 85 ARG HB3 4.570 . 4.620 1.892 1.791 2.147 0.009 10 0 "[ . 1 . ]" 1 680 1 85 ARG HB2 1 86 ARG H 4.200 . 4.240 3.871 3.717 4.020 . 0 0 "[ . 1 . ]" 1 681 1 85 ARG HB3 1 86 ARG H 4.470 . 4.510 3.843 3.658 3.956 . 0 0 "[ . 1 . ]" 1 682 1 85 ARG HG2 1 87 HIS H 5.320 . 5.370 4.834 4.549 5.075 . 0 0 "[ . 1 . ]" 1 683 1 85 ARG HG3 1 87 HIS H 5.320 . 5.370 4.834 4.614 5.077 . 0 0 "[ . 1 . ]" 1 684 1 86 ARG HA 1 89 ALA H 3.970 . 4.010 3.143 2.889 3.357 . 0 0 "[ . 1 . ]" 1 685 1 86 ARG HA 1 89 ALA MB 2.880 . 2.910 2.314 2.036 2.540 . 0 0 "[ . 1 . ]" 1 686 1 86 ARG HB2 1 87 HIS H 4.550 . 4.600 3.873 3.776 3.993 . 0 0 "[ . 1 . ]" 1 687 1 86 ARG HB3 1 87 HIS H 4.550 . 4.600 3.926 3.797 4.035 . 0 0 "[ . 1 . ]" 1 688 1 86 ARG HA 1 86 ARG HG2 4.030 . 4.070 3.779 3.718 3.847 . 0 0 "[ . 1 . ]" 1 689 1 86 ARG H 1 86 ARG HG2 3.880 . 3.920 2.252 2.142 2.457 . 0 0 "[ . 1 . ]" 1 690 1 86 ARG HA 1 86 ARG HG3 3.770 . 3.810 3.770 3.703 3.813 0.003 13 0 "[ . 1 . ]" 1 691 1 86 ARG H 1 86 ARG HG3 3.590 . 3.630 3.459 3.227 3.634 0.004 13 0 "[ . 1 . ]" 1 692 1 86 ARG HG3 1 87 HIS HB2 3.480 . 3.510 3.464 3.316 3.521 0.011 13 0 "[ . 1 . ]" 1 693 1 86 ARG HD2 1 87 HIS H 5.500 . 5.550 4.731 4.416 5.100 . 0 0 "[ . 1 . ]" 1 694 1 86 ARG HD3 1 87 HIS H 5.500 . 5.550 4.597 4.291 5.092 . 0 0 "[ . 1 . ]" 1 695 1 86 ARG H 1 86 ARG HD2 5.460 . 5.510 4.203 3.676 4.885 . 0 0 "[ . 1 . ]" 1 696 1 86 ARG H 1 86 ARG HD3 5.460 . 5.510 4.545 4.107 4.957 . 0 0 "[ . 1 . ]" 1 697 1 86 ARG HG3 1 87 HIS HA 4.500 . 4.540 3.402 3.178 3.513 . 0 0 "[ . 1 . ]" 1 698 1 87 HIS HA 1 90 LEU HB2 5.060 . 5.110 4.052 3.838 4.498 . 0 0 "[ . 1 . ]" 1 699 1 87 HIS HA 1 90 LEU HG 3.570 . 3.610 2.733 2.446 3.102 . 0 0 "[ . 1 . ]" 1 700 1 87 HIS H 1 88 LEU HA 5.310 . 5.360 5.225 5.133 5.336 . 0 0 "[ . 1 . ]" 1 701 1 88 LEU HA 1 88 LEU MD2 3.450 . 3.480 2.202 2.133 2.272 . 0 0 "[ . 1 . ]" 1 702 1 16 TRP HZ2 1 88 LEU HB3 4.770 . 4.820 1.978 1.798 2.118 0.002 15 0 "[ . 1 . ]" 1 703 1 16 TRP HZ2 1 88 LEU MD1 4.820 . 4.870 2.846 2.646 3.034 . 0 0 "[ . 1 . ]" 1 704 1 84 VAL HA 1 88 LEU MD2 4.750 . 4.800 3.027 2.682 3.217 . 0 0 "[ . 1 . ]" 1 705 1 17 LEU HA 1 88 LEU MD1 3.340 . 3.370 2.516 2.372 2.757 . 0 0 "[ . 1 . ]" 1 706 1 88 LEU MD1 1 91 GLN HG2 5.500 . 5.550 4.102 3.857 4.362 . 0 0 "[ . 1 . ]" 1 707 1 88 LEU MD2 1 91 GLN HG2 5.500 . 5.550 5.434 5.079 5.555 0.005 8 0 "[ . 1 . ]" 1 708 1 17 LEU HG 1 88 LEU MD1 4.370 . 4.410 2.921 2.545 3.254 . 0 0 "[ . 1 . ]" 1 709 1 33 LEU HG 1 88 LEU MD1 4.960 . 5.010 4.095 3.772 4.557 . 0 0 "[ . 1 . ]" 1 710 1 89 ALA MB 1 90 LEU H 3.600 . 3.640 2.866 2.785 2.975 . 0 0 "[ . 1 . ]" 1 711 1 87 HIS H 1 89 ALA MB 4.550 . 4.600 4.577 4.500 4.603 0.003 17 0 "[ . 1 . ]" 1 712 1 89 ALA H 1 89 ALA MB 2.650 . 2.680 2.235 2.223 2.244 . 0 0 "[ . 1 . ]" 1 713 1 88 LEU H 1 89 ALA MB 4.440 . 4.480 4.146 4.116 4.164 . 0 0 "[ . 1 . ]" 1 714 1 91 GLN HB2 1 91 GLN HE21 4.340 . 4.380 1.898 1.794 2.641 0.006 17 0 "[ . 1 . ]" 1 715 1 91 GLN HB2 1 91 GLN HE22 4.890 . 4.940 3.460 3.409 3.704 . 0 0 "[ . 1 . ]" 1 716 1 16 TRP HE1 1 91 GLN HB3 4.550 . 4.600 4.581 4.485 4.604 0.004 1 0 "[ . 1 . ]" 1 717 1 16 TRP HD1 1 91 GLN HB3 4.100 . 4.140 2.681 2.485 2.853 . 0 0 "[ . 1 . ]" 1 718 1 19 ALA MB 1 91 GLN HG3 3.520 . 3.560 2.769 2.544 3.119 . 0 0 "[ . 1 . ]" 1 719 1 91 GLN H 1 91 GLN HG3 4.270 . 4.310 3.688 3.598 3.840 . 0 0 "[ . 1 . ]" 1 720 1 91 GLN H 1 91 GLN HG2 4.690 . 4.740 3.976 3.927 4.083 . 0 0 "[ . 1 . ]" 1 721 1 20 GLY HA2 1 91 GLN HG2 4.650 . 4.700 2.939 2.449 3.522 . 0 0 "[ . 1 . ]" 1 722 1 20 GLY HA3 1 91 GLN HG2 4.650 . 4.700 3.153 2.637 3.539 . 0 0 "[ . 1 . ]" 1 723 1 19 ALA MB 1 91 GLN HG2 3.450 . 3.480 2.319 2.098 2.879 . 0 0 "[ . 1 . ]" 1 724 1 13 ILE MD 1 95 LEU HA 4.440 . 4.480 3.639 2.491 4.369 . 0 0 "[ . 1 . ]" 1 725 1 40 ARG HB3 1 95 LEU HG 4.790 . 4.840 3.884 3.330 4.841 0.001 2 0 "[ . 1 . ]" 1 726 1 13 ILE MD 1 95 LEU MD1 3.780 . 3.820 2.249 1.897 3.339 . 0 0 "[ . 1 . ]" 1 727 1 95 LEU HA 1 95 LEU MD1 3.610 . 3.650 2.305 2.020 2.489 . 0 0 "[ . 1 . ]" 1 728 1 39 ARG H 1 95 LEU MD2 5.000 . 5.050 4.050 3.395 4.653 . 0 0 "[ . 1 . ]" 1 729 1 96 ASP H 1 96 ASP HB2 3.640 . 3.680 2.662 2.387 3.606 . 0 0 "[ . 1 . ]" 1 730 1 96 ASP HB3 1 97 ASP H 4.790 . 4.840 2.897 2.402 3.824 . 0 0 "[ . 1 . ]" 1 731 1 97 ASP HB2 1 98 PRO HD3 4.940 . 4.990 4.437 3.738 4.978 . 0 0 "[ . 1 . ]" 1 732 1 97 ASP HB3 1 98 PRO HD3 4.940 . 4.990 4.734 4.359 4.998 0.008 4 0 "[ . 1 . ]" 1 733 1 98 PRO HB2 1 100 ASP H 4.840 . 4.890 3.195 2.524 4.141 . 0 0 "[ . 1 . ]" 1 734 1 98 PRO HB3 1 100 ASP H 4.840 . 4.890 4.147 3.340 4.897 0.007 15 0 "[ . 1 . ]" 1 735 1 98 PRO HB3 1 99 ARG H 3.960 . 4.000 3.605 2.498 4.021 0.021 6 0 "[ . 1 . ]" 1 736 1 97 ASP HB2 1 98 PRO HD2 4.940 . 4.990 4.239 2.468 4.992 0.002 7 0 "[ . 1 . ]" 1 737 1 97 ASP HB3 1 98 PRO HD2 4.940 . 4.990 4.490 3.855 4.995 0.005 14 0 "[ . 1 . ]" 1 738 1 9 PHE QD 1 99 ARG HA 4.630 . 4.680 4.243 3.583 4.639 . 0 0 "[ . 1 . ]" 1 739 1 99 ARG HA 1 99 ARG HD2 5.380 . 5.530 3.947 2.678 4.899 . 0 0 "[ . 1 . ]" 1 740 1 99 ARG HA 1 99 ARG HD3 5.380 . 5.530 3.810 1.800 5.538 0.008 5 0 "[ . 1 . ]" 1 741 1 99 ARG HA 1 99 ARG HG2 3.790 . 4.790 3.325 2.341 4.241 . 0 0 "[ . 1 . ]" 1 742 1 9 PHE QD 1 99 ARG HB3 5.500 . 5.550 4.151 2.918 5.154 . 0 0 "[ . 1 . ]" 1 743 1 9 PHE QD 1 99 ARG HB2 5.500 . 5.550 3.981 2.697 4.973 . 0 0 "[ . 1 . ]" 1 744 1 99 ARG H 1 99 ARG HG2 4.160 . 4.200 2.838 1.909 4.120 . 0 0 "[ . 1 . ]" 1 745 1 9 PHE QD 1 99 ARG HG2 4.760 . 4.810 3.167 1.798 4.731 0.002 10 0 "[ . 1 . ]" 1 746 1 99 ARG HA 1 99 ARG HG3 3.790 . 4.790 3.638 3.047 3.812 . 0 0 "[ . 1 . ]" 1 747 1 9 PHE QD 1 99 ARG HG3 4.760 . 4.810 3.868 2.747 4.557 . 0 0 "[ . 1 . ]" 1 748 1 99 ARG HG3 1 100 ASP H 5.220 . 5.270 3.737 1.800 5.275 0.005 14 0 "[ . 1 . ]" 1 749 1 99 ARG H 1 99 ARG HG3 4.160 . 4.200 3.190 1.980 4.161 . 0 0 "[ . 1 . ]" 1 750 1 99 ARG H 1 99 ARG HD2 5.500 . 5.550 4.617 3.963 5.361 . 0 0 "[ . 1 . ]" 1 751 1 99 ARG H 1 99 ARG HD3 5.500 . 5.550 4.537 2.833 5.424 . 0 0 "[ . 1 . ]" 1 752 1 102 GLU H 1 102 GLU HB3 3.730 . 3.770 2.960 2.461 3.751 . 0 0 "[ . 1 . ]" 1 753 1 102 GLU H 1 102 GLU HB2 3.730 . 3.770 2.916 2.282 3.766 . 0 0 "[ . 1 . ]" 1 754 1 102 GLU HB3 1 103 GLU H 4.380 . 4.420 4.024 3.082 4.420 . 0 0 "[ . 1 . ]" 1 755 1 102 GLU H 1 102 GLU HG2 5.340 . 5.390 3.864 1.947 5.270 . 0 0 "[ . 1 . ]" 1 756 1 102 GLU H 1 102 GLU HG3 5.340 . 5.390 3.983 1.902 4.867 . 0 0 "[ . 1 . ]" 1 757 1 103 GLU H 1 103 GLU HB2 3.870 . 3.910 2.782 2.322 3.635 . 0 0 "[ . 1 . ]" 1 758 1 103 GLU H 1 103 GLU HG2 5.420 . 5.470 3.839 2.110 4.570 . 0 0 "[ . 1 . ]" 1 759 1 103 GLU H 1 103 GLU HG3 5.420 . 5.470 3.374 2.062 4.937 . 0 0 "[ . 1 . ]" 1 760 1 62 ILE MG 1 63 ASP H 4.270 . 4.310 4.254 3.902 4.330 0.020 6 0 "[ . 1 . ]" 1 761 1 25 VAL H 1 62 ILE MG 4.360 . 4.400 2.573 1.856 3.178 . 0 0 "[ . 1 . ]" 1 762 1 24 GLY H 1 62 ILE MG 5.500 . 5.550 5.390 4.563 5.560 0.010 16 0 "[ . 1 . ]" 1 763 1 62 ILE HA 1 62 ILE MG 3.520 . 3.560 2.350 2.281 2.398 . 0 0 "[ . 1 . ]" 1 764 1 30 ARG HD3 1 62 ILE MG 4.700 . 4.750 2.807 1.857 3.719 . 0 0 "[ . 1 . ]" 1 765 1 30 ARG HD2 1 62 ILE MG 4.700 . 4.750 3.410 1.809 4.635 . 0 0 "[ . 1 . ]" 1 766 1 25 VAL H 1 62 ILE MD 4.580 . 4.630 2.803 1.946 3.658 . 0 0 "[ . 1 . ]" 1 767 1 24 GLY H 1 62 ILE MD 5.210 . 5.260 4.713 4.151 5.274 0.014 17 0 "[ . 1 . ]" 1 768 1 25 VAL HA 1 62 ILE MD 5.500 . 5.550 5.119 4.411 5.556 0.006 15 0 "[ . 1 . ]" 1 769 1 62 ILE HB 1 63 ASP H 5.090 . 5.140 4.256 3.504 4.438 . 0 0 "[ . 1 . ]" 1 770 1 25 VAL H 1 62 ILE HB 5.250 . 5.300 3.696 2.991 5.183 . 0 0 "[ . 1 . ]" 1 771 1 62 ILE HB 1 62 ILE MD 3.630 . 3.670 2.492 2.408 3.228 . 0 0 "[ . 1 . ]" 1 772 1 31 VAL MG2 1 71 MET H 5.380 . 5.430 5.007 4.866 5.300 . 0 0 "[ . 1 . ]" 1 773 1 31 VAL H 1 31 VAL MG2 3.060 . 3.090 1.967 1.875 2.040 . 0 0 "[ . 1 . ]" 1 774 1 31 VAL MG2 1 70 GLN HE21 4.530 . 4.580 2.390 1.873 2.907 . 0 0 "[ . 1 . ]" 1 775 1 31 VAL MG2 1 70 GLN HE22 4.630 . 4.680 2.694 1.912 3.958 . 0 0 "[ . 1 . ]" 1 776 1 31 VAL MG2 1 67 LEU HA 4.630 . 4.680 3.598 3.351 3.863 . 0 0 "[ . 1 . ]" 1 777 1 31 VAL HA 1 31 VAL MG2 3.000 . 3.030 2.444 2.409 2.479 . 0 0 "[ . 1 . ]" 1 778 1 31 VAL MG2 1 76 PRO HD3 4.460 . 4.500 4.512 4.507 4.519 0.019 14 0 "[ . 1 . ]" 1 779 1 31 VAL MG2 1 76 PRO HB3 3.610 . 3.650 3.436 3.180 3.642 . 0 0 "[ . 1 . ]" 1 780 1 31 VAL MG2 1 67 LEU MD1 2.950 . 2.980 1.938 1.799 2.166 0.001 13 0 "[ . 1 . ]" 1 781 1 46 ILE H 1 46 ILE HG13 4.790 . 4.840 4.721 4.685 4.758 . 0 0 "[ . 1 . ]" 1 782 1 46 ILE H 1 46 ILE HG12 4.790 . 4.840 4.495 4.465 4.529 . 0 0 "[ . 1 . ]" 1 783 1 13 ILE HG12 1 94 PRO HB3 4.870 . 4.920 4.549 3.589 4.926 0.006 13 0 "[ . 1 . ]" 1 784 1 13 ILE HG12 1 94 PRO HB2 4.870 . 4.920 3.695 3.174 3.997 . 0 0 "[ . 1 . ]" 1 785 1 88 LEU HB3 1 94 PRO HD2 5.500 . 5.550 5.402 5.066 5.560 0.010 6 0 "[ . 1 . ]" 1 786 1 16 TRP HZ2 1 94 PRO HD2 5.060 . 5.110 4.069 3.724 4.318 . 0 0 "[ . 1 . ]" 1 787 1 16 TRP HZ2 1 94 PRO HD3 5.500 . 5.550 4.790 4.343 5.379 . 0 0 "[ . 1 . ]" 1 788 1 63 ASP HA 1 65 GLY H 4.400 . 4.440 3.910 3.549 4.359 . 0 0 "[ . 1 . ]" 1 789 1 55 LYS H 1 55 LYS HG2 4.960 . 5.010 3.650 1.955 4.645 . 0 0 "[ . 1 . ]" 1 790 1 55 LYS H 1 55 LYS HG3 4.960 . 5.010 3.511 1.999 4.538 . 0 0 "[ . 1 . ]" 1 791 1 55 LYS HA 1 55 LYS HD2 5.460 . 5.510 3.834 2.122 4.889 . 0 0 "[ . 1 . ]" 1 792 1 55 LYS HA 1 55 LYS HD3 5.460 . 5.510 4.059 2.156 5.020 . 0 0 "[ . 1 . ]" 1 793 1 57 ALA MB 1 59 PHE QD 3.620 . 3.660 2.641 1.799 3.406 0.001 4 0 "[ . 1 . ]" 1 794 1 57 ALA HA 1 59 PHE QD 5.390 . 5.440 4.478 3.076 5.419 . 0 0 "[ . 1 . ]" 1 795 1 90 LEU H 1 90 LEU MD1 4.610 . 4.660 3.640 3.583 3.686 . 0 0 "[ . 1 . ]" 1 796 1 90 LEU H 1 90 LEU MD2 4.610 . 4.660 3.203 3.130 3.288 . 0 0 "[ . 1 . ]" 1 797 1 9 PHE QD 1 10 LEU MD2 3.720 . 3.760 1.923 1.792 2.327 0.008 12 0 "[ . 1 . ]" 1 798 1 10 LEU MD1 1 45 GLU HB3 4.350 . 4.390 2.037 1.797 2.488 0.003 9 0 "[ . 1 . ]" 1 799 1 36 LEU HG 1 85 ARG H 4.600 . 4.650 3.814 3.357 4.160 . 0 0 "[ . 1 . ]" 1 800 1 36 LEU HG 1 86 ARG H 5.500 . 5.550 5.555 5.473 5.571 0.021 9 0 "[ . 1 . ]" 1 801 1 36 LEU H 1 36 LEU HG 4.880 . 4.930 4.583 4.564 4.601 . 0 0 "[ . 1 . ]" 1 802 1 36 LEU HG 1 93 TRP HH2 4.010 . 4.050 2.918 2.715 3.394 . 0 0 "[ . 1 . ]" 1 803 1 36 LEU HA 1 36 LEU HG 3.820 . 3.860 3.739 3.712 3.768 . 0 0 "[ . 1 . ]" 1 804 1 36 LEU HG 1 85 ARG HA 4.310 . 4.350 3.107 2.863 3.599 . 0 0 "[ . 1 . ]" 1 805 1 41 LEU MD1 1 46 ILE HA 5.460 . 5.510 5.269 4.290 5.522 0.012 3 0 "[ . 1 . ]" 1 806 1 47 LYS H 1 47 LYS HD2 5.500 . 5.550 4.400 3.896 4.977 . 0 0 "[ . 1 . ]" 1 807 1 47 LYS H 1 47 LYS HD3 5.500 . 5.550 4.950 4.435 5.128 . 0 0 "[ . 1 . ]" 1 808 1 44 ASP HA 1 47 LYS HD2 5.500 . 5.550 3.402 2.027 4.794 . 0 0 "[ . 1 . ]" 1 809 1 44 ASP HA 1 47 LYS HD3 5.500 . 5.550 4.664 3.478 5.138 . 0 0 "[ . 1 . ]" 1 810 1 31 VAL MG1 1 71 MET HB3 4.710 . 4.760 4.397 4.225 4.530 . 0 0 "[ . 1 . ]" 1 811 1 35 ALA H 1 81 ILE MD 5.450 . 5.500 5.158 4.863 5.419 . 0 0 "[ . 1 . ]" 1 812 1 36 LEU H 1 81 ILE MD 4.850 . 4.900 4.543 4.178 4.877 . 0 0 "[ . 1 . ]" 1 813 1 81 ILE H 1 81 ILE MD 3.650 . 3.690 3.589 3.465 3.647 . 0 0 "[ . 1 . ]" 1 814 1 80 ASP H 1 81 ILE MD 5.180 . 5.230 5.182 5.057 5.236 0.006 16 0 "[ . 1 . ]" 1 815 1 76 PRO HD2 1 81 ILE MD 3.470 . 3.500 3.105 2.708 3.390 . 0 0 "[ . 1 . ]" 1 816 1 80 ASP HB2 1 81 ILE MD 5.110 . 5.160 4.967 4.501 5.160 . 0 0 "[ . 1 . ]" 1 817 1 78 GLU HG2 1 81 ILE MD 3.800 . 3.840 3.089 2.418 3.697 . 0 0 "[ . 1 . ]" 1 818 1 25 VAL H 1 25 VAL MG2 4.050 . 4.090 2.257 1.900 3.887 . 0 0 "[ . 1 . ]" 1 819 1 21 TYR HD2 1 25 VAL MG2 4.820 . 4.870 2.634 2.446 3.675 . 0 0 "[ . 1 . ]" 1 820 1 21 TYR HE2 1 25 VAL MG2 4.560 . 4.610 3.391 3.264 3.630 . 0 0 "[ . 1 . ]" 1 821 1 25 VAL HA 1 25 VAL MG2 3.380 . 3.410 2.620 2.470 2.667 . 0 0 "[ . 1 . ]" 1 822 1 25 VAL MG2 1 30 ARG HA 4.100 . 4.140 3.883 2.879 4.143 0.003 2 0 "[ . 1 . ]" 1 823 1 25 VAL MG2 1 30 ARG QG 4.100 . 4.140 3.086 1.869 3.431 . 0 0 "[ . 1 . ]" 1 824 1 25 VAL MG2 1 33 LEU HG 3.980 . 4.020 3.173 2.722 3.750 . 0 0 "[ . 1 . ]" 1 825 1 31 VAL H 1 31 VAL MG1 3.840 . 3.880 3.806 3.785 3.819 . 0 0 "[ . 1 . ]" 1 826 1 31 VAL MG1 1 35 ALA H 4.750 . 4.800 4.197 4.158 4.273 . 0 0 "[ . 1 . ]" 1 827 1 31 VAL MG1 1 71 MET HA 3.750 . 3.790 3.361 3.104 3.472 . 0 0 "[ . 1 . ]" 1 828 1 31 VAL HA 1 31 VAL MG1 3.160 . 3.190 2.369 2.322 2.405 . 0 0 "[ . 1 . ]" 1 829 1 31 VAL MG1 1 76 PRO HD3 3.100 . 3.130 1.918 1.794 2.104 0.006 10 0 "[ . 1 . ]" 1 830 1 31 VAL MG1 1 71 MET HG3 3.740 . 3.780 2.197 2.089 2.430 . 0 0 "[ . 1 . ]" 1 831 1 31 VAL MG1 1 76 PRO HB3 2.880 . 2.910 2.144 2.107 2.186 . 0 0 "[ . 1 . ]" 1 832 1 36 LEU MD1 1 85 ARG H 5.500 . 5.550 4.971 4.620 5.239 . 0 0 "[ . 1 . ]" 1 833 1 36 LEU MD2 1 85 ARG H 5.500 . 5.550 4.671 4.175 5.239 . 0 0 "[ . 1 . ]" 1 834 1 36 LEU H 1 36 LEU MD1 5.500 . 5.550 4.175 4.134 4.222 . 0 0 "[ . 1 . ]" 1 835 1 36 LEU H 1 36 LEU MD2 5.500 . 5.550 4.068 4.021 4.095 . 0 0 "[ . 1 . ]" 1 836 1 41 LEU MD2 1 46 ILE HA 5.460 . 5.510 3.089 2.548 3.534 . 0 0 "[ . 1 . ]" 1 837 1 41 LEU MD2 1 45 GLU HB2 5.150 . 5.200 3.356 2.712 3.966 . 0 0 "[ . 1 . ]" 1 838 1 41 LEU MD2 1 45 GLU HB3 5.420 . 5.470 2.679 2.142 3.843 . 0 0 "[ . 1 . ]" 1 839 1 67 LEU H 1 67 LEU MD2 4.030 . 4.070 1.945 1.846 2.069 . 0 0 "[ . 1 . ]" 1 840 1 84 VAL MG2 1 85 ARG H 4.210 . 4.250 3.632 3.554 3.699 . 0 0 "[ . 1 . ]" 1 841 1 33 LEU H 1 84 VAL MG2 4.020 . 4.060 3.170 2.909 3.389 . 0 0 "[ . 1 . ]" 1 842 1 84 VAL H 1 84 VAL MG2 3.780 . 3.820 3.795 3.773 3.814 . 0 0 "[ . 1 . ]" 1 843 1 33 LEU HA 1 84 VAL MG2 4.190 . 4.230 2.505 2.203 2.775 . 0 0 "[ . 1 . ]" 1 844 1 84 VAL MG2 1 85 ARG HA 4.870 . 4.920 3.710 3.599 3.812 . 0 0 "[ . 1 . ]" 1 845 1 84 VAL HA 1 84 VAL MG2 3.240 . 3.270 2.304 2.286 2.349 . 0 0 "[ . 1 . ]" 1 846 1 6 VAL HA 1 6 VAL MG1 2.840 . 2.870 2.301 2.274 2.334 . 0 0 "[ . 1 . ]" 1 847 1 6 VAL HA 1 7 ASN HB2 4.580 . 4.630 4.620 4.518 4.656 0.026 4 0 "[ . 1 . ]" 1 848 1 6 VAL H 1 6 VAL HB 3.820 . 3.860 3.703 3.599 3.877 0.017 4 0 "[ . 1 . ]" 1 849 1 6 VAL HA 1 6 VAL MG2 3.340 . 3.370 3.208 3.197 3.225 . 0 0 "[ . 1 . ]" 1 850 1 6 VAL H 1 6 VAL MG1 3.780 . 3.820 2.749 2.207 3.564 . 0 0 "[ . 1 . ]" 1 851 1 6 VAL MG1 1 7 ASN H 4.330 . 4.370 3.379 3.228 3.535 . 0 0 "[ . 1 . ]" 1 852 1 6 VAL MG1 1 11 ALA H 4.890 . 4.940 4.940 4.876 4.952 0.012 15 0 "[ . 1 . ]" 1 853 1 5 MET ME 1 6 VAL H 3.820 . 3.860 3.622 2.721 3.876 0.016 1 0 "[ . 1 . ]" 1 854 1 68 ILE HA 1 71 MET ME 3.260 . 3.290 2.367 2.169 2.562 . 0 0 "[ . 1 . ]" 1 855 1 5 MET ME 1 6 VAL HA 3.920 . 3.960 3.689 2.957 3.968 0.008 16 0 "[ . 1 . ]" 1 856 1 87 HIS HD2 1 88 LEU H 4.800 . 4.850 4.115 3.718 4.558 . 0 0 "[ . 1 . ]" 1 857 1 87 HIS H 1 87 HIS HD2 5.430 . 5.480 5.074 4.995 5.212 . 0 0 "[ . 1 . ]" 1 858 1 87 HIS HD2 1 88 LEU HA 4.290 . 4.330 3.704 3.084 4.232 . 0 0 "[ . 1 . ]" 1 859 1 87 HIS HB3 1 87 HIS HD2 3.970 . 4.010 2.998 2.715 3.770 . 0 0 "[ . 1 . ]" 1 860 1 87 HIS HD2 1 88 LEU MD2 3.780 . 3.820 2.413 1.799 3.829 0.009 4 0 "[ . 1 . ]" 1 861 1 21 TYR HE1 1 26 PRO HD2 4.440 . 4.480 2.602 2.214 3.457 . 0 0 "[ . 1 . ]" 1 862 1 21 TYR HE1 1 25 VAL HA 4.440 . 4.480 3.325 3.118 4.104 . 0 0 "[ . 1 . ]" 1 863 1 21 TYR HB3 1 21 TYR HE1 5.030 . 5.080 4.736 4.694 4.768 . 0 0 "[ . 1 . ]" 1 864 1 21 TYR HE2 1 33 LEU MD2 4.040 . 4.080 2.947 2.600 3.626 . 0 0 "[ . 1 . ]" 1 865 1 21 TYR HE2 1 33 LEU HG 4.320 . 4.360 3.254 2.881 3.866 . 0 0 "[ . 1 . ]" 1 866 1 21 TYR HE2 1 88 LEU HG 4.070 . 4.110 3.862 3.587 4.108 . 0 0 "[ . 1 . ]" 1 867 1 21 TYR HE2 1 88 LEU MD2 3.380 . 3.410 2.020 1.792 2.862 0.008 8 0 "[ . 1 . ]" 1 868 1 21 TYR HD2 1 25 VAL MG1 4.820 . 4.870 3.737 3.522 3.854 . 0 0 "[ . 1 . ]" 1 869 1 17 LEU MD2 1 21 TYR HD2 3.940 . 3.980 2.372 2.197 2.511 . 0 0 "[ . 1 . ]" 1 870 1 21 TYR HD2 1 33 LEU HG 4.330 . 4.370 4.290 3.916 4.383 0.013 9 0 "[ . 1 . ]" 1 871 1 21 TYR HB2 1 21 TYR HD2 3.510 . 3.550 2.353 2.325 2.400 . 0 0 "[ . 1 . ]" 1 872 1 21 TYR HB3 1 21 TYR HD1 3.660 . 3.700 2.567 2.491 2.621 . 0 0 "[ . 1 . ]" 1 873 1 21 TYR HD1 1 25 VAL HA 3.670 . 3.710 2.805 2.566 3.203 . 0 0 "[ . 1 . ]" 1 874 1 21 TYR HD1 1 26 PRO HD2 4.650 . 4.700 3.625 3.078 4.033 . 0 0 "[ . 1 . ]" 1 875 1 21 TYR H 1 21 TYR HD2 4.240 . 4.280 3.470 3.160 3.799 . 0 0 "[ . 1 . ]" 1 876 1 16 TRP H 1 16 TRP HD1 5.500 . 5.550 5.190 5.116 5.267 . 0 0 "[ . 1 . ]" 1 877 1 16 TRP HD1 1 91 GLN H 5.500 . 5.550 4.259 4.040 4.506 . 0 0 "[ . 1 . ]" 1 878 1 16 TRP HD1 1 91 GLN HB2 4.100 . 4.140 2.434 2.177 2.652 . 0 0 "[ . 1 . ]" 1 879 1 16 TRP HD1 1 94 PRO HD3 4.110 . 4.150 3.580 3.319 3.891 . 0 0 "[ . 1 . ]" 1 880 1 16 TRP HD1 1 19 ALA MB 4.730 . 4.780 4.516 4.152 4.787 0.007 7 0 "[ . 1 . ]" 1 881 1 93 TRP HD1 1 95 LEU HB3 4.860 . 4.910 4.649 3.863 4.920 0.010 2 0 "[ . 1 . ]" 1 882 1 16 TRP HZ2 1 93 TRP HZ3 4.030 . 4.070 3.955 3.710 4.072 0.002 2 0 "[ . 1 . ]" 1 883 1 16 TRP HZ2 1 88 LEU HB2 3.860 . 3.900 2.994 2.899 3.119 . 0 0 "[ . 1 . ]" 1 884 1 16 TRP HZ2 1 88 LEU HG 4.150 . 4.190 3.145 2.764 3.377 . 0 0 "[ . 1 . ]" 1 885 1 93 TRP HZ2 1 95 LEU HB3 4.630 . 4.680 4.150 3.296 4.684 0.004 12 0 "[ . 1 . ]" 1 886 1 89 ALA MB 1 93 TRP HE3 4.040 . 4.080 2.687 2.366 3.128 . 0 0 "[ . 1 . ]" 1 887 1 16 TRP HH2 1 37 LEU HG 3.510 . 3.550 3.514 3.144 3.562 0.012 3 0 "[ . 1 . ]" 1 888 1 16 TRP HZ3 1 17 LEU HB2 4.970 . 5.020 4.576 4.191 4.842 . 0 0 "[ . 1 . ]" 1 889 1 16 TRP HZ3 1 17 LEU MD1 3.880 . 3.920 2.853 2.655 3.090 . 0 0 "[ . 1 . ]" 1 890 1 16 TRP HZ3 1 37 LEU HG 3.510 . 3.550 3.190 2.824 3.559 0.009 4 0 "[ . 1 . ]" 1 891 1 13 ILE MG 1 16 TRP HZ3 3.430 . 3.460 2.083 1.835 2.463 . 0 0 "[ . 1 . ]" 1 892 1 16 TRP HE3 1 17 LEU HB2 3.990 . 4.030 3.587 3.317 3.752 . 0 0 "[ . 1 . ]" 1 893 1 16 TRP HE3 1 17 LEU MD1 4.110 . 4.150 3.426 3.282 3.589 . 0 0 "[ . 1 . ]" 1 894 1 16 TRP HE3 1 17 LEU HA 4.840 . 4.890 4.318 4.054 4.536 . 0 0 "[ . 1 . ]" 1 895 1 88 LEU HB2 1 93 TRP HZ3 4.280 . 4.320 3.627 3.408 3.774 . 0 0 "[ . 1 . ]" 1 896 1 89 ALA MB 1 93 TRP HZ3 4.200 . 4.240 3.325 2.965 3.874 . 0 0 "[ . 1 . ]" 1 897 1 88 LEU HB3 1 93 TRP HZ3 4.250 . 4.290 4.281 4.167 4.297 0.007 8 0 "[ . 1 . ]" 1 898 1 5 MET H 1 6 VAL H 4.460 . 4.500 2.869 1.852 4.200 . 0 0 "[ . 1 . ]" 1 899 1 4 SER HB2 1 5 MET H 5.500 . 5.550 3.623 1.878 4.622 . 0 0 "[ . 1 . ]" 1 900 1 4 SER HB3 1 5 MET H 5.500 . 5.550 3.726 1.824 4.618 . 0 0 "[ . 1 . ]" 1 901 1 5 MET H 1 5 MET HG2 4.820 . 4.870 3.955 2.105 4.904 0.034 17 0 "[ . 1 . ]" 1 902 1 5 MET H 1 5 MET HG3 4.820 . 4.870 4.124 2.077 4.888 0.018 10 0 "[ . 1 . ]" 1 903 1 7 ASN HA 1 8 ALA H 3.370 . 3.400 2.342 2.224 2.448 . 0 0 "[ . 1 . ]" 1 904 1 7 ASN HB2 1 8 ALA H 4.150 . 4.190 4.017 3.797 4.196 0.006 10 0 "[ . 1 . ]" 1 905 1 8 ALA H 1 9 PHE H 3.720 . 3.760 2.908 2.728 3.073 . 0 0 "[ . 1 . ]" 1 906 1 9 PHE H 1 10 LEU H 3.380 . 3.410 2.749 2.640 2.905 . 0 0 "[ . 1 . ]" 1 907 1 9 PHE H 1 9 PHE QD 5.100 . 5.150 4.197 4.149 4.224 . 0 0 "[ . 1 . ]" 1 908 1 9 PHE H 1 10 LEU HA 5.500 . 5.550 5.343 5.259 5.453 . 0 0 "[ . 1 . ]" 1 909 1 9 PHE H 1 99 ARG HA 5.500 . 5.550 5.336 4.342 5.573 0.023 2 0 "[ . 1 . ]" 1 910 1 9 PHE H 1 9 PHE HB2 3.200 . 3.230 2.539 2.431 2.689 . 0 0 "[ . 1 . ]" 1 911 1 9 PHE H 1 9 PHE HB3 3.200 . 3.230 2.531 2.422 2.673 . 0 0 "[ . 1 . ]" 1 912 1 7 ASN HB2 1 9 PHE H 4.670 . 4.720 4.421 4.012 4.729 0.009 8 0 "[ . 1 . ]" 1 913 1 9 PHE H 1 10 LEU MD2 4.660 . 4.710 3.588 3.381 3.767 . 0 0 "[ . 1 . ]" 1 914 1 10 LEU H 1 12 LYS H 4.660 . 4.710 4.025 3.730 4.266 . 0 0 "[ . 1 . ]" 1 915 1 9 PHE QD 1 10 LEU H 4.000 . 4.040 3.333 3.060 3.610 . 0 0 "[ . 1 . ]" 1 916 1 9 PHE HB2 1 10 LEU H 3.940 . 3.980 3.822 3.749 3.962 . 0 0 "[ . 1 . ]" 1 917 1 9 PHE HB3 1 10 LEU H 3.940 . 3.980 2.495 2.351 2.689 . 0 0 "[ . 1 . ]" 1 918 1 7 ASN HB2 1 10 LEU H 4.440 . 4.480 3.436 3.043 3.853 . 0 0 "[ . 1 . ]" 1 919 1 10 LEU H 1 10 LEU HB2 3.780 . 3.820 2.327 2.230 2.406 . 0 0 "[ . 1 . ]" 1 920 1 10 LEU H 1 10 LEU HB3 3.780 . 3.820 3.554 3.513 3.580 . 0 0 "[ . 1 . ]" 1 921 1 10 LEU H 1 10 LEU HG 4.140 . 4.180 3.853 3.783 3.942 . 0 0 "[ . 1 . ]" 1 922 1 10 LEU H 1 10 LEU MD2 3.700 . 3.740 1.980 1.811 2.155 . 0 0 "[ . 1 . ]" 1 923 1 10 LEU H 1 11 ALA H 3.370 . 3.400 2.678 2.572 2.813 . 0 0 "[ . 1 . ]" 1 924 1 11 ALA H 1 12 LYS H 3.340 . 3.370 2.720 2.544 2.886 . 0 0 "[ . 1 . ]" 1 925 1 7 ASN HB2 1 11 ALA H 5.500 . 5.550 4.793 4.352 5.049 . 0 0 "[ . 1 . ]" 1 926 1 7 ASN HB3 1 11 ALA H 5.500 . 5.550 4.518 3.537 5.057 . 0 0 "[ . 1 . ]" 1 927 1 6 VAL HB 1 11 ALA H 4.160 . 4.200 3.992 3.823 4.195 . 0 0 "[ . 1 . ]" 1 928 1 10 LEU HB2 1 11 ALA H 3.870 . 3.910 2.628 2.504 2.782 . 0 0 "[ . 1 . ]" 1 929 1 10 LEU HB3 1 11 ALA H 3.870 . 3.910 3.412 3.141 3.613 . 0 0 "[ . 1 . ]" 1 930 1 10 LEU HG 1 11 ALA H 5.110 . 5.160 5.011 4.849 5.155 . 0 0 "[ . 1 . ]" 1 931 1 6 VAL MG2 1 11 ALA H 3.920 . 3.960 2.372 2.209 2.654 . 0 0 "[ . 1 . ]" 1 932 1 72 THR HB 1 73 ASP H 4.200 . 4.240 3.955 3.791 4.059 . 0 0 "[ . 1 . ]" 1 933 1 12 LYS H 1 13 ILE H 3.430 . 3.460 2.681 2.531 2.768 . 0 0 "[ . 1 . ]" 1 934 1 12 LYS HG2 1 13 ILE H 5.500 . 5.550 4.385 3.526 5.201 . 0 0 "[ . 1 . ]" 1 935 1 12 LYS HG3 1 13 ILE H 5.500 . 5.550 4.382 3.290 5.114 . 0 0 "[ . 1 . ]" 1 936 1 13 ILE H 1 13 ILE MD 4.200 . 4.240 3.292 3.106 3.422 . 0 0 "[ . 1 . ]" 1 937 1 14 ALA H 1 15 ALA H 3.440 . 3.470 2.781 2.682 2.858 . 0 0 "[ . 1 . ]" 1 938 1 12 LYS H 1 14 ALA H 4.880 . 4.930 4.237 4.077 4.404 . 0 0 "[ . 1 . ]" 1 939 1 14 ALA H 1 16 TRP H 5.190 . 5.240 4.207 4.056 4.337 . 0 0 "[ . 1 . ]" 1 940 1 13 ILE H 1 14 ALA H 3.340 . 3.370 2.737 2.661 2.798 . 0 0 "[ . 1 . ]" 1 941 1 11 ALA HA 1 14 ALA H 3.720 . 3.760 3.499 3.294 3.700 . 0 0 "[ . 1 . ]" 1 942 1 13 ILE HB 1 14 ALA H 3.320 . 3.350 2.445 2.337 2.527 . 0 0 "[ . 1 . ]" 1 943 1 13 ILE MG 1 14 ALA H 3.730 . 3.770 3.301 3.164 3.438 . 0 0 "[ . 1 . ]" 1 944 1 14 ALA H 1 49 ILE MD 3.510 . 3.550 2.742 2.561 2.920 . 0 0 "[ . 1 . ]" 1 945 1 14 ALA H 1 17 LEU MD1 5.150 . 5.200 4.983 4.782 5.172 . 0 0 "[ . 1 . ]" 1 946 1 50 ALA HA 1 54 GLU H 4.980 . 5.030 3.922 3.704 4.145 . 0 0 "[ . 1 . ]" 1 947 1 15 ALA H 1 15 ALA MB 2.800 . 2.830 2.246 2.235 2.253 . 0 0 "[ . 1 . ]" 1 948 1 13 ILE HB 1 15 ALA H 5.500 . 5.550 5.041 4.907 5.134 . 0 0 "[ . 1 . ]" 1 949 1 15 ALA H 1 16 TRP H 3.330 . 3.360 2.630 2.546 2.705 . 0 0 "[ . 1 . ]" 1 950 1 16 TRP H 1 16 TRP HB2 3.220 . 3.250 2.799 2.732 2.876 . 0 0 "[ . 1 . ]" 1 951 1 16 TRP H 1 16 TRP HB3 3.220 . 3.250 2.176 2.103 2.210 . 0 0 "[ . 1 . ]" 1 952 1 16 TRP H 1 17 LEU HB2 4.870 . 4.920 4.611 4.501 4.698 . 0 0 "[ . 1 . ]" 1 953 1 15 ALA MB 1 16 TRP H 3.190 . 3.220 2.457 2.336 2.557 . 0 0 "[ . 1 . ]" 1 954 1 17 LEU H 1 18 ASN H 3.320 . 3.350 2.640 2.563 2.742 . 0 0 "[ . 1 . ]" 1 955 1 16 TRP H 1 17 LEU H 3.350 . 3.380 2.772 2.661 2.845 . 0 0 "[ . 1 . ]" 1 956 1 15 ALA H 1 17 LEU H 4.730 . 4.780 4.185 4.125 4.248 . 0 0 "[ . 1 . ]" 1 957 1 17 LEU H 1 20 GLY H 4.940 . 4.990 4.800 4.519 4.995 0.005 9 0 "[ . 1 . ]" 1 958 1 14 ALA HA 1 17 LEU H 4.120 . 4.160 3.744 3.567 3.823 . 0 0 "[ . 1 . ]" 1 959 1 16 TRP HB3 1 17 LEU H 4.200 . 4.240 2.698 2.611 2.885 . 0 0 "[ . 1 . ]" 1 960 1 17 LEU H 1 17 LEU HB2 2.870 . 2.900 2.098 2.072 2.122 . 0 0 "[ . 1 . ]" 1 961 1 15 ALA MB 1 17 LEU H 4.980 . 5.030 4.571 4.490 4.631 . 0 0 "[ . 1 . ]" 1 962 1 17 LEU H 1 19 ALA MB 5.410 . 5.460 4.721 4.572 4.912 . 0 0 "[ . 1 . ]" 1 963 1 17 LEU H 1 17 LEU HB3 3.610 . 3.650 3.397 3.335 3.433 . 0 0 "[ . 1 . ]" 1 964 1 13 ILE MG 1 17 LEU H 4.280 . 4.320 3.955 3.830 4.137 . 0 0 "[ . 1 . ]" 1 965 1 17 LEU H 1 17 LEU HG 3.700 . 3.740 3.282 3.161 3.446 . 0 0 "[ . 1 . ]" 1 966 1 17 LEU H 1 17 LEU MD1 3.730 . 3.770 3.763 3.712 3.776 0.006 3 0 "[ . 1 . ]" 1 967 1 18 ASN H 1 19 ALA H 3.530 . 3.570 2.616 2.508 2.738 . 0 0 "[ . 1 . ]" 1 968 1 18 ASN H 1 20 GLY H 5.110 . 5.160 4.098 3.870 4.335 . 0 0 "[ . 1 . ]" 1 969 1 18 ASN H 1 18 ASN HD21 5.170 . 5.220 4.464 4.395 4.608 . 0 0 "[ . 1 . ]" 1 970 1 14 ALA HA 1 18 ASN H 5.040 . 5.090 3.952 3.844 4.022 . 0 0 "[ . 1 . ]" 1 971 1 18 ASN H 1 18 ASN HB3 3.340 . 3.370 2.570 2.470 2.786 . 0 0 "[ . 1 . ]" 1 972 1 18 ASN H 1 18 ASN HB2 3.290 . 3.320 2.496 2.275 2.595 . 0 0 "[ . 1 . ]" 1 973 1 17 LEU HB2 1 18 ASN H 3.600 . 3.640 2.886 2.773 3.019 . 0 0 "[ . 1 . ]" 1 974 1 15 ALA MB 1 18 ASN H 5.110 . 5.160 4.640 4.485 4.749 . 0 0 "[ . 1 . ]" 1 975 1 18 ASN H 1 19 ALA MB 5.380 . 5.430 4.313 4.220 4.422 . 0 0 "[ . 1 . ]" 1 976 1 17 LEU HB3 1 18 ASN H 4.030 . 4.070 3.037 2.967 3.136 . 0 0 "[ . 1 . ]" 1 977 1 17 LEU MD1 1 18 ASN H 4.970 . 5.020 4.644 4.562 4.756 . 0 0 "[ . 1 . ]" 1 978 1 17 LEU H 1 19 ALA H 4.980 . 5.030 3.968 3.815 4.094 . 0 0 "[ . 1 . ]" 1 979 1 19 ALA H 1 20 GLY H 3.490 . 3.520 2.521 2.391 2.655 . 0 0 "[ . 1 . ]" 1 980 1 16 TRP HA 1 19 ALA H 4.270 . 4.310 3.746 3.517 4.050 . 0 0 "[ . 1 . ]" 1 981 1 17 LEU HA 1 19 ALA H 5.080 . 5.130 4.171 4.007 4.308 . 0 0 "[ . 1 . ]" 1 982 1 18 ASN HB3 1 19 ALA H 3.750 . 3.790 2.888 2.575 3.132 . 0 0 "[ . 1 . ]" 1 983 1 20 GLY H 1 88 LEU MD1 4.370 . 4.410 3.890 3.582 4.162 . 0 0 "[ . 1 . ]" 1 984 1 17 LEU MD2 1 20 GLY H 5.280 . 5.330 4.540 4.296 4.821 . 0 0 "[ . 1 . ]" 1 985 1 20 GLY H 1 91 GLN HG2 4.780 . 4.830 2.859 2.409 3.259 . 0 0 "[ . 1 . ]" 1 986 1 20 GLY H 1 21 TYR HB2 4.950 . 5.000 4.791 4.556 5.003 0.003 15 0 "[ . 1 . ]" 1 987 1 17 LEU HA 1 20 GLY H 4.020 . 4.060 3.384 3.152 3.646 . 0 0 "[ . 1 . ]" 1 988 1 16 TRP HA 1 20 GLY H 5.040 . 5.090 4.587 4.186 4.976 . 0 0 "[ . 1 . ]" 1 989 1 20 GLY H 1 21 TYR H 3.230 . 3.260 2.387 2.182 2.520 . 0 0 "[ . 1 . ]" 1 990 1 21 TYR H 1 22 PRO HD2 4.240 . 4.280 4.124 3.765 4.284 0.004 5 0 "[ . 1 . ]" 1 991 1 21 TYR H 1 21 TYR HB3 4.140 . 4.180 3.819 3.753 3.883 . 0 0 "[ . 1 . ]" 1 992 1 21 TYR H 1 21 TYR HB2 3.740 . 3.780 2.715 2.603 2.823 . 0 0 "[ . 1 . ]" 1 993 1 23 GLU H 1 24 GLY H 3.050 . 3.080 2.248 2.023 2.479 . 0 0 "[ . 1 . ]" 1 994 1 21 TYR HA 1 23 GLU H 4.290 . 4.330 3.206 2.823 3.910 . 0 0 "[ . 1 . ]" 1 995 1 22 PRO HD2 1 23 GLU H 4.210 . 4.250 2.608 2.381 2.923 . 0 0 "[ . 1 . ]" 1 996 1 22 PRO HD3 1 23 GLU H 4.210 . 4.250 3.802 3.658 3.991 . 0 0 "[ . 1 . ]" 1 997 1 22 PRO HG2 1 23 GLU H 3.250 . 3.280 2.726 2.060 3.112 . 0 0 "[ . 1 . ]" 1 998 1 24 GLY H 1 25 VAL H 4.710 . 4.760 4.354 4.015 4.510 . 0 0 "[ . 1 . ]" 1 999 1 23 GLU HB3 1 24 GLY H 5.040 . 5.090 4.355 3.948 4.564 . 0 0 "[ . 1 . ]" 1 1000 1 21 TYR HB2 1 24 GLY H 4.960 . 5.010 4.034 3.758 4.497 . 0 0 "[ . 1 . ]" 1 1001 1 26 PRO HA 1 27 GLY H 3.150 . 3.180 2.315 2.280 2.344 . 0 0 "[ . 1 . ]" 1 1002 1 27 GLY H 1 28 PRO HD3 3.920 . 3.960 2.979 2.768 3.282 . 0 0 "[ . 1 . ]" 1 1003 1 27 GLY H 1 28 PRO HD2 4.020 . 4.060 2.669 2.332 2.934 . 0 0 "[ . 1 . ]" 1 1004 1 26 PRO HB3 1 27 GLY H 4.130 . 4.170 3.655 3.569 3.734 . 0 0 "[ . 1 . ]" 1 1005 1 27 GLY H 1 28 PRO HG2 5.500 . 5.550 4.841 4.610 5.031 . 0 0 "[ . 1 . ]" 1 1006 1 27 GLY H 1 28 PRO HG3 5.500 . 5.550 5.049 4.868 5.201 . 0 0 "[ . 1 . ]" 1 1007 1 29 ASP H 1 31 VAL H 5.100 . 5.150 4.022 3.892 4.171 . 0 0 "[ . 1 . ]" 1 1008 1 29 ASP H 1 30 ARG H 3.030 . 3.060 2.070 1.964 2.126 . 0 0 "[ . 1 . ]" 1 1009 1 28 PRO HD3 1 29 ASP H 4.460 . 4.500 4.003 3.935 4.146 . 0 0 "[ . 1 . ]" 1 1010 1 29 ASP H 1 30 ARG HA 4.710 . 4.760 4.744 4.659 4.765 0.005 11 0 "[ . 1 . ]" 1 1011 1 28 PRO HD2 1 29 ASP H 4.000 . 4.040 2.920 2.831 3.094 . 0 0 "[ . 1 . ]" 1 1012 1 29 ASP H 1 29 ASP HB2 3.780 . 3.820 2.447 2.392 2.497 . 0 0 "[ . 1 . ]" 1 1013 1 29 ASP H 1 29 ASP HB3 3.780 . 3.820 3.659 3.624 3.698 . 0 0 "[ . 1 . ]" 1 1014 1 29 ASP H 1 30 ARG QG 3.970 . 4.010 3.875 3.649 3.928 . 0 0 "[ . 1 . ]" 1 1015 1 28 PRO HB2 1 29 ASP H 4.120 . 4.160 3.308 2.920 3.815 . 0 0 "[ . 1 . ]" 1 1016 1 29 ASP HB2 1 30 ARG H 4.830 . 4.880 2.950 2.769 3.092 . 0 0 "[ . 1 . ]" 1 1017 1 29 ASP HB3 1 30 ARG H 4.830 . 4.880 3.806 3.626 3.942 . 0 0 "[ . 1 . ]" 1 1018 1 30 ARG H 1 30 ARG QG 3.290 . 3.320 2.471 2.268 2.544 . 0 0 "[ . 1 . ]" 1 1019 1 30 ARG H 1 30 ARG HB3 3.980 . 4.020 3.593 3.561 3.628 . 0 0 "[ . 1 . ]" 1 1020 1 30 ARG H 1 67 LEU MD1 4.540 . 4.590 4.468 4.334 4.594 0.004 8 0 "[ . 1 . ]" 1 1021 1 30 ARG H 1 31 VAL H 3.940 . 3.980 2.732 2.682 2.776 . 0 0 "[ . 1 . ]" 1 1022 1 29 ASP HA 1 31 VAL H 5.310 . 5.360 4.542 4.416 4.660 . 0 0 "[ . 1 . ]" 1 1023 1 31 VAL H 1 32 PRO HD2 3.470 . 3.500 2.194 2.152 2.236 . 0 0 "[ . 1 . ]" 1 1024 1 31 VAL H 1 32 PRO HD3 3.330 . 3.360 3.263 3.207 3.318 . 0 0 "[ . 1 . ]" 1 1025 1 31 VAL H 1 31 VAL HB 3.190 . 3.220 2.693 2.637 2.748 . 0 0 "[ . 1 . ]" 1 1026 1 30 ARG HB2 1 31 VAL H 4.160 . 4.200 2.520 2.360 2.672 . 0 0 "[ . 1 . ]" 1 1027 1 30 ARG HB3 1 31 VAL H 4.160 . 4.200 3.382 3.252 3.486 . 0 0 "[ . 1 . ]" 1 1028 1 31 VAL H 1 67 LEU MD1 4.550 . 4.600 3.159 2.983 3.377 . 0 0 "[ . 1 . ]" 1 1029 1 36 LEU H 1 37 LEU H 3.830 . 3.870 2.599 2.535 2.681 . 0 0 "[ . 1 . ]" 1 1030 1 36 LEU H 1 36 LEU HB3 3.550 . 3.590 2.508 2.463 2.579 . 0 0 "[ . 1 . ]" 1 1031 1 35 ALA H 1 36 LEU H 3.720 . 3.760 2.773 2.672 2.844 . 0 0 "[ . 1 . ]" 1 1032 1 35 ALA H 1 35 ALA MB 3.110 . 3.140 2.245 2.235 2.252 . 0 0 "[ . 1 . ]" 1 1033 1 33 LEU MD1 1 35 ALA H 5.260 . 5.310 4.911 4.847 4.972 . 0 0 "[ . 1 . ]" 1 1034 1 35 ALA H 1 81 ILE HG12 5.500 . 5.550 4.830 4.504 5.017 . 0 0 "[ . 1 . ]" 1 1035 1 34 LEU MD1 1 35 ALA H 5.070 . 5.120 4.620 4.580 4.664 . 0 0 "[ . 1 . ]" 1 1036 1 34 LEU MD2 1 35 ALA H 5.430 . 5.480 4.272 4.206 4.379 . 0 0 "[ . 1 . ]" 1 1037 1 34 LEU HA 1 37 LEU H 4.260 . 4.300 3.123 2.985 3.293 . 0 0 "[ . 1 . ]" 1 1038 1 36 LEU HB2 1 37 LEU H 3.940 . 3.980 3.777 3.661 3.865 . 0 0 "[ . 1 . ]" 1 1039 1 37 LEU H 1 37 LEU MD1 4.950 . 5.000 3.780 2.293 4.223 . 0 0 "[ . 1 . ]" 1 1040 1 37 LEU H 1 37 LEU MD2 4.950 . 5.000 3.738 2.246 4.283 . 0 0 "[ . 1 . ]" 1 1041 1 34 LEU MD1 1 37 LEU H 4.820 . 4.870 4.346 4.168 4.515 . 0 0 "[ . 1 . ]" 1 1042 1 34 LEU HA 1 38 THR H 4.750 . 4.800 3.527 3.322 3.767 . 0 0 "[ . 1 . ]" 1 1043 1 38 THR H 1 39 ARG HB2 4.950 . 5.000 4.988 4.939 5.006 0.006 1 0 "[ . 1 . ]" 1 1044 1 34 LEU HB3 1 38 THR H 4.740 . 4.790 4.493 4.324 4.604 . 0 0 "[ . 1 . ]" 1 1045 1 38 THR H 1 95 LEU MD2 5.100 . 5.150 4.888 4.359 5.142 . 0 0 "[ . 1 . ]" 1 1046 1 38 THR H 1 39 ARG H 3.600 . 3.640 2.663 2.620 2.702 . 0 0 "[ . 1 . ]" 1 1047 1 39 ARG H 1 40 ARG H 3.340 . 3.370 2.787 2.506 2.990 . 0 0 "[ . 1 . ]" 1 1048 1 38 THR HB 1 39 ARG H 4.640 . 4.690 4.136 4.075 4.191 . 0 0 "[ . 1 . ]" 1 1049 1 36 LEU HA 1 39 ARG H 4.170 . 4.210 4.131 3.901 4.224 0.014 16 0 "[ . 1 . ]" 1 1050 1 39 ARG H 1 39 ARG HG2 3.600 . 3.640 2.292 2.055 3.344 . 0 0 "[ . 1 . ]" 1 1051 1 39 ARG H 1 39 ARG HB2 3.270 . 3.300 2.491 2.426 2.529 . 0 0 "[ . 1 . ]" 1 1052 1 39 ARG H 1 39 ARG HG3 3.600 . 3.640 3.442 2.216 3.659 0.019 17 0 "[ . 1 . ]" 1 1053 1 38 THR MG 1 39 ARG H 4.540 . 4.590 4.236 4.188 4.300 . 0 0 "[ . 1 . ]" 1 1054 1 38 THR HA 1 40 ARG H 4.310 . 4.350 4.164 3.637 4.363 0.013 11 0 "[ . 1 . ]" 1 1055 1 37 LEU HA 1 40 ARG H 4.770 . 4.820 4.270 3.750 4.668 . 0 0 "[ . 1 . ]" 1 1056 1 39 ARG HB2 1 40 ARG H 3.510 . 3.550 2.503 2.340 2.912 . 0 0 "[ . 1 . ]" 1 1057 1 40 ARG H 1 40 ARG HG3 3.590 . 3.630 2.764 2.467 3.649 0.019 17 0 "[ . 1 . ]" 1 1058 1 40 ARG H 1 41 LEU HB2 4.770 . 4.820 4.055 3.375 4.420 . 0 0 "[ . 1 . ]" 1 1059 1 40 ARG H 1 95 LEU HB3 5.500 . 5.550 5.375 4.857 5.566 0.016 13 0 "[ . 1 . ]" 1 1060 1 40 ARG HB3 1 41 LEU H 4.180 . 4.220 4.099 3.616 4.241 0.021 13 0 "[ . 1 . ]" 1 1061 1 41 LEU H 1 41 LEU HB2 3.700 . 3.740 2.615 2.280 3.241 . 0 0 "[ . 1 . ]" 1 1062 1 41 LEU H 1 41 LEU MD1 4.990 . 5.040 2.847 1.896 4.184 . 0 0 "[ . 1 . ]" 1 1063 1 41 LEU H 1 41 LEU MD2 4.990 . 5.040 4.413 4.010 4.974 . 0 0 "[ . 1 . ]" 1 1064 1 41 LEU H 1 42 THR H 5.090 . 5.140 4.427 4.085 4.624 . 0 0 "[ . 1 . ]" 1 1065 1 42 THR H 1 45 GLU HB2 3.640 . 3.680 2.396 2.138 2.602 . 0 0 "[ . 1 . ]" 1 1066 1 41 LEU HB2 1 42 THR H 4.390 . 4.430 4.193 3.921 4.434 0.004 15 0 "[ . 1 . ]" 1 1067 1 43 ASN H 1 43 ASN HD21 5.270 . 5.320 4.146 3.077 4.807 . 0 0 "[ . 1 . ]" 1 1068 1 42 THR HB 1 43 ASN H 3.450 . 3.480 2.341 2.167 2.527 . 0 0 "[ . 1 . ]" 1 1069 1 42 THR HA 1 43 ASN H 3.140 . 3.170 2.456 2.391 2.546 . 0 0 "[ . 1 . ]" 1 1070 1 43 ASN H 1 43 ASN HB2 3.780 . 3.820 2.460 2.371 2.555 . 0 0 "[ . 1 . ]" 1 1071 1 43 ASN H 1 43 ASN HB3 3.780 . 3.820 3.264 2.515 3.623 . 0 0 "[ . 1 . ]" 1 1072 1 43 ASN H 1 46 ILE MG 5.220 . 5.270 3.903 3.828 3.952 . 0 0 "[ . 1 . ]" 1 1073 1 43 ASN H 1 44 ASP H 3.650 . 3.690 2.634 2.539 2.770 . 0 0 "[ . 1 . ]" 1 1074 1 44 ASP H 1 45 GLU H 3.490 . 3.520 2.711 2.652 2.791 . 0 0 "[ . 1 . ]" 1 1075 1 42 THR HB 1 44 ASP H 3.920 . 3.960 2.781 2.713 2.928 . 0 0 "[ . 1 . ]" 1 1076 1 43 ASN HB2 1 44 ASP H 3.790 . 3.830 3.076 2.570 3.840 0.010 12 0 "[ . 1 . ]" 1 1077 1 43 ASN HB3 1 44 ASP H 3.790 . 3.830 3.278 2.552 3.723 . 0 0 "[ . 1 . ]" 1 1078 1 44 ASP H 1 44 ASP HB3 3.680 . 3.720 2.883 2.374 3.610 . 0 0 "[ . 1 . ]" 1 1079 1 42 THR H 1 45 GLU H 4.400 . 4.440 3.670 3.525 3.884 . 0 0 "[ . 1 . ]" 1 1080 1 43 ASN H 1 45 GLU H 4.930 . 4.980 4.167 4.042 4.267 . 0 0 "[ . 1 . ]" 1 1081 1 42 THR HB 1 45 GLU H 4.900 . 4.950 3.587 3.517 3.713 . 0 0 "[ . 1 . ]" 1 1082 1 45 GLU H 1 45 GLU HB2 3.010 . 3.040 2.362 2.297 2.416 . 0 0 "[ . 1 . ]" 1 1083 1 45 GLU H 1 45 GLU HG2 4.100 . 4.140 3.680 3.521 3.923 . 0 0 "[ . 1 . ]" 1 1084 1 10 LEU MD1 1 45 GLU H 4.810 . 4.860 4.341 4.224 4.600 . 0 0 "[ . 1 . ]" 1 1085 1 45 GLU H 1 46 ILE MG 4.680 . 4.730 3.793 3.682 3.857 . 0 0 "[ . 1 . ]" 1 1086 1 45 GLU H 1 46 ILE H 3.540 . 3.580 2.801 2.724 2.853 . 0 0 "[ . 1 . ]" 1 1087 1 44 ASP HA 1 47 LYS H 4.590 . 4.640 3.815 3.548 3.956 . 0 0 "[ . 1 . ]" 1 1088 1 45 GLU HB2 1 46 ILE H 4.040 . 4.080 2.540 2.446 2.654 . 0 0 "[ . 1 . ]" 1 1089 1 47 LYS H 1 47 LYS HB2 3.540 . 3.580 2.397 2.283 2.607 . 0 0 "[ . 1 . ]" 1 1090 1 48 ALA H 1 50 ALA H 4.760 . 4.810 4.208 4.105 4.310 . 0 0 "[ . 1 . ]" 1 1091 1 47 LYS H 1 48 ALA H 3.290 . 3.320 2.715 2.617 2.823 . 0 0 "[ . 1 . ]" 1 1092 1 48 ALA H 1 49 ILE H 3.260 . 3.290 2.757 2.690 2.803 . 0 0 "[ . 1 . ]" 1 1093 1 44 ASP HA 1 48 ALA H 4.630 . 4.680 4.078 3.945 4.209 . 0 0 "[ . 1 . ]" 1 1094 1 45 GLU HA 1 48 ALA H 3.870 . 3.910 3.260 3.149 3.407 . 0 0 "[ . 1 . ]" 1 1095 1 47 LYS HB3 1 48 ALA H 3.570 . 3.610 3.408 3.259 3.519 . 0 0 "[ . 1 . ]" 1 1096 1 47 LYS HB2 1 48 ALA H 3.260 . 3.290 2.593 2.356 2.777 . 0 0 "[ . 1 . ]" 1 1097 1 10 LEU HG 1 48 ALA H 5.360 . 5.410 5.112 4.551 5.409 . 0 0 "[ . 1 . ]" 1 1098 1 10 LEU MD1 1 48 ALA H 4.770 . 4.820 3.999 3.520 4.524 . 0 0 "[ . 1 . ]" 1 1099 1 46 ILE MG 1 48 ALA H 4.420 . 4.460 4.344 4.289 4.460 . 0 0 "[ . 1 . ]" 1 1100 1 49 ILE H 1 50 ALA H 3.550 . 3.590 2.754 2.684 2.824 . 0 0 "[ . 1 . ]" 1 1101 1 48 ALA MB 1 49 ILE H 3.280 . 3.310 2.577 2.496 2.643 . 0 0 "[ . 1 . ]" 1 1102 1 49 ILE H 1 49 ILE MD 3.570 . 3.610 3.093 2.933 3.249 . 0 0 "[ . 1 . ]" 1 1103 1 50 ALA H 1 52 ASP H 5.500 . 5.550 4.152 3.967 4.387 . 0 0 "[ . 1 . ]" 1 1104 1 49 ILE MD 1 50 ALA H 4.690 . 4.740 4.592 4.533 4.653 . 0 0 "[ . 1 . ]" 1 1105 1 50 ALA H 1 51 GLU H 3.810 . 3.850 2.584 2.465 2.739 . 0 0 "[ . 1 . ]" 1 1106 1 51 GLU H 1 52 ASP H 3.640 . 3.680 2.738 2.646 2.805 . 0 0 "[ . 1 . ]" 1 1107 1 51 GLU H 1 51 GLU HB3 3.700 . 3.740 3.561 3.538 3.599 . 0 0 "[ . 1 . ]" 1 1108 1 52 ASP H 1 52 ASP HB3 3.330 . 3.360 2.613 2.494 2.783 . 0 0 "[ . 1 . ]" 1 1109 1 51 GLU HB3 1 52 ASP H 3.880 . 3.920 3.727 3.515 3.925 0.005 17 0 "[ . 1 . ]" 1 1110 1 48 ALA MB 1 52 ASP H 5.110 . 5.160 4.599 4.308 4.921 . 0 0 "[ . 1 . ]" 1 1111 1 52 ASP H 1 53 LEU HB2 5.500 . 5.550 4.712 4.619 4.867 . 0 0 "[ . 1 . ]" 1 1112 1 52 ASP H 1 53 LEU H 3.960 . 4.000 2.569 2.502 2.739 . 0 0 "[ . 1 . ]" 1 1113 1 50 ALA HA 1 53 LEU H 4.700 . 4.750 3.593 3.434 3.840 . 0 0 "[ . 1 . ]" 1 1114 1 53 LEU H 1 53 LEU HB2 3.960 . 4.000 2.433 2.315 2.500 . 0 0 "[ . 1 . ]" 1 1115 1 54 GLU H 1 55 LYS H 5.000 . 5.050 2.626 2.500 2.749 . 0 0 "[ . 1 . ]" 1 1116 1 54 GLU HB2 1 55 LYS H 5.500 . 5.550 3.495 2.641 4.104 . 0 0 "[ . 1 . ]" 1 1117 1 54 GLU HB3 1 55 LYS H 5.500 . 5.550 3.975 3.621 4.187 . 0 0 "[ . 1 . ]" 1 1118 1 55 LYS H 1 56 ARG H 4.670 . 4.720 2.566 2.399 2.769 . 0 0 "[ . 1 . ]" 1 1119 1 55 LYS HB2 1 56 ARG H 5.500 . 5.550 3.365 2.757 4.108 . 0 0 "[ . 1 . ]" 1 1120 1 55 LYS HB3 1 56 ARG H 5.500 . 5.550 3.537 2.649 4.114 . 0 0 "[ . 1 . ]" 1 1121 1 81 ILE H 1 82 GLU H 3.440 . 3.470 2.757 2.666 2.832 . 0 0 "[ . 1 . ]" 1 1122 1 82 GLU H 1 83 ARG H 3.630 . 3.670 2.569 2.476 2.708 . 0 0 "[ . 1 . ]" 1 1123 1 78 GLU HA 1 82 GLU H 4.500 . 4.540 3.979 3.794 4.069 . 0 0 "[ . 1 . ]" 1 1124 1 82 GLU H 1 82 GLU HG2 4.220 . 5.220 2.979 2.022 4.485 . 0 0 "[ . 1 . ]" 1 1125 1 82 GLU H 1 82 GLU HB2 3.740 . 3.780 3.378 2.481 3.666 . 0 0 "[ . 1 . ]" 1 1126 1 81 ILE HB 1 82 GLU H 3.020 . 3.050 2.587 2.434 2.694 . 0 0 "[ . 1 . ]" 1 1127 1 81 ILE HG13 1 82 GLU H 4.500 . 4.540 4.337 4.241 4.443 . 0 0 "[ . 1 . ]" 1 1128 1 81 ILE MD 1 82 GLU H 4.830 . 4.880 4.588 4.475 4.671 . 0 0 "[ . 1 . ]" 1 1129 1 65 GLY H 1 66 VAL H 3.260 . 3.290 2.610 2.523 2.742 . 0 0 "[ . 1 . ]" 1 1130 1 66 VAL H 1 68 ILE H 4.640 . 4.690 4.398 4.110 4.538 . 0 0 "[ . 1 . ]" 1 1131 1 65 GLY HA3 1 66 VAL H 3.550 . 3.590 2.862 2.816 2.995 . 0 0 "[ . 1 . ]" 1 1132 1 63 ASP HB2 1 66 VAL H 4.740 . 4.790 4.515 3.084 4.760 . 0 0 "[ . 1 . ]" 1 1133 1 63 ASP HB3 1 66 VAL H 4.740 . 4.790 3.274 3.001 3.665 . 0 0 "[ . 1 . ]" 1 1134 1 66 VAL H 1 66 VAL HB 2.940 . 2.970 2.537 2.502 2.590 . 0 0 "[ . 1 . ]" 1 1135 1 66 VAL H 1 67 LEU HB2 4.860 . 4.910 4.873 4.708 4.916 0.006 16 0 "[ . 1 . ]" 1 1136 1 66 VAL H 1 67 LEU MD2 4.670 . 4.720 3.553 3.387 3.738 . 0 0 "[ . 1 . ]" 1 1137 1 68 ILE H 1 69 THR H 4.110 . 4.150 2.643 2.607 2.704 . 0 0 "[ . 1 . ]" 1 1138 1 67 LEU H 1 68 ILE H 4.240 . 4.280 2.745 2.706 2.824 . 0 0 "[ . 1 . ]" 1 1139 1 65 GLY HA3 1 68 ILE H 5.050 . 5.100 4.815 4.659 4.944 . 0 0 "[ . 1 . ]" 1 1140 1 68 ILE H 1 68 ILE HG13 3.570 . 3.610 2.045 1.955 2.136 . 0 0 "[ . 1 . ]" 1 1141 1 67 LEU HB3 1 68 ILE H 4.700 . 4.750 3.554 3.430 3.720 . 0 0 "[ . 1 . ]" 1 1142 1 34 LEU HG 1 68 ILE H 4.060 . 4.100 3.300 3.079 3.553 . 0 0 "[ . 1 . ]" 1 1143 1 67 LEU MD1 1 68 ILE H 4.660 . 4.710 4.544 4.503 4.627 . 0 0 "[ . 1 . ]" 1 1144 1 66 VAL HA 1 69 THR H 4.640 . 4.690 3.428 3.288 3.602 . 0 0 "[ . 1 . ]" 1 1145 1 68 ILE H 1 70 GLN H 4.740 . 4.790 4.040 3.910 4.126 . 0 0 "[ . 1 . ]" 1 1146 1 70 GLN H 1 71 MET H 3.330 . 3.360 2.504 2.425 2.699 . 0 0 "[ . 1 . ]" 1 1147 1 69 THR H 1 70 GLN H 3.260 . 3.290 2.485 2.411 2.572 . 0 0 "[ . 1 . ]" 1 1148 1 69 THR HB 1 70 GLN H 3.320 . 3.350 2.863 2.710 2.958 . 0 0 "[ . 1 . ]" 1 1149 1 66 VAL HA 1 70 GLN H 5.420 . 5.470 4.763 4.501 4.968 . 0 0 "[ . 1 . ]" 1 1150 1 70 GLN H 1 70 GLN HG3 3.370 . 3.400 2.343 2.039 3.300 . 0 0 "[ . 1 . ]" 1 1151 1 70 GLN H 1 70 GLN HG2 3.670 . 3.710 2.831 2.163 2.988 . 0 0 "[ . 1 . ]" 1 1152 1 70 GLN H 1 70 GLN HB2 3.100 . 3.130 2.627 2.448 2.709 . 0 0 "[ . 1 . ]" 1 1153 1 70 GLN H 1 70 GLN HB3 3.660 . 3.700 3.613 3.556 3.642 . 0 0 "[ . 1 . ]" 1 1154 1 70 GLN H 1 72 THR MG 4.700 . 4.750 4.269 4.162 4.574 . 0 0 "[ . 1 . ]" 1 1155 1 31 VAL MG2 1 70 GLN H 5.500 . 5.550 5.376 5.239 5.557 0.007 8 0 "[ . 1 . ]" 1 1156 1 31 VAL MG1 1 70 GLN H 5.290 . 5.340 4.951 4.723 5.075 . 0 0 "[ . 1 . ]" 1 1157 1 67 LEU MD1 1 70 GLN H 4.680 . 4.730 4.552 4.326 4.668 . 0 0 "[ . 1 . ]" 1 1158 1 71 MET H 1 72 THR H 3.620 . 3.660 2.780 2.699 2.885 . 0 0 "[ . 1 . ]" 1 1159 1 71 MET H 1 71 MET HB3 3.770 . 3.810 3.569 3.552 3.601 . 0 0 "[ . 1 . ]" 1 1160 1 70 GLN HB2 1 71 MET H 3.750 . 3.790 2.430 2.306 2.572 . 0 0 "[ . 1 . ]" 1 1161 1 71 MET H 1 71 MET HB2 3.120 . 3.150 2.414 2.368 2.529 . 0 0 "[ . 1 . ]" 1 1162 1 31 VAL MG1 1 71 MET H 4.240 . 4.280 3.647 3.530 3.759 . 0 0 "[ . 1 . ]" 1 1163 1 72 THR H 1 73 ASP HB2 5.000 . 5.050 4.919 4.759 5.053 0.003 3 0 "[ . 1 . ]" 1 1164 1 71 MET HB3 1 72 THR H 4.040 . 4.080 3.536 3.298 3.691 . 0 0 "[ . 1 . ]" 1 1165 1 71 MET HB2 1 72 THR H 4.010 . 4.050 2.627 2.442 2.731 . 0 0 "[ . 1 . ]" 1 1166 1 72 THR H 1 72 THR MG 3.720 . 3.760 2.396 2.212 2.684 . 0 0 "[ . 1 . ]" 1 1167 1 71 MET H 1 73 ASP H 4.860 . 4.910 4.127 3.991 4.228 . 0 0 "[ . 1 . ]" 1 1168 1 71 MET HB2 1 73 ASP H 5.500 . 5.550 4.828 4.741 4.902 . 0 0 "[ . 1 . ]" 1 1169 1 74 GLU H 1 75 MET H 4.350 . 4.390 4.043 3.964 4.159 . 0 0 "[ . 1 . ]" 1 1170 1 73 ASP HA 1 74 GLU H 3.570 . 3.610 3.529 3.472 3.556 . 0 0 "[ . 1 . ]" 1 1171 1 73 ASP H 1 74 GLU H 2.720 . 2.750 2.259 2.033 2.423 . 0 0 "[ . 1 . ]" 1 1172 1 74 GLU H 1 75 MET HA 4.980 . 5.030 4.554 4.452 4.671 . 0 0 "[ . 1 . ]" 1 1173 1 71 MET HA 1 74 GLU H 3.670 . 3.710 3.452 3.160 3.565 . 0 0 "[ . 1 . ]" 1 1174 1 73 ASP HB3 1 74 GLU H 2.970 . 3.000 2.434 2.282 2.807 . 0 0 "[ . 1 . ]" 1 1175 1 72 THR MG 1 74 GLU H 4.740 . 4.790 4.321 4.185 4.438 . 0 0 "[ . 1 . ]" 1 1176 1 71 MET HB3 1 74 GLU H 5.500 . 5.550 5.467 5.172 5.555 0.005 14 0 "[ . 1 . ]" 1 1177 1 75 MET H 1 76 PRO HD2 5.010 . 5.060 4.870 4.773 4.964 . 0 0 "[ . 1 . ]" 1 1178 1 75 MET H 1 76 PRO HD3 5.360 . 5.410 5.044 4.928 5.131 . 0 0 "[ . 1 . ]" 1 1179 1 75 MET H 1 75 MET HG2 4.080 . 4.120 2.750 2.139 3.751 . 0 0 "[ . 1 . ]" 1 1180 1 75 MET H 1 75 MET HB2 3.770 . 3.810 3.206 2.395 3.669 . 0 0 "[ . 1 . ]" 1 1181 1 77 ARG H 1 78 GLU H 4.280 . 4.320 4.239 4.102 4.323 0.003 7 0 "[ . 1 . ]" 1 1182 1 76 PRO HA 1 77 ARG H 3.490 . 3.520 3.473 3.417 3.514 . 0 0 "[ . 1 . ]" 1 1183 1 77 ARG H 1 80 ASP HB2 4.420 . 4.460 2.815 2.354 3.085 . 0 0 "[ . 1 . ]" 1 1184 1 77 ARG H 1 80 ASP HB3 4.780 . 4.830 4.192 3.598 4.555 . 0 0 "[ . 1 . ]" 1 1185 1 76 PRO HB2 1 77 ARG H 3.750 . 3.790 1.919 1.798 2.061 0.002 2 0 "[ . 1 . ]" 1 1186 1 77 ARG H 1 77 ARG HB2 3.720 . 3.760 2.921 2.669 3.317 . 0 0 "[ . 1 . ]" 1 1187 1 76 PRO HG3 1 77 ARG H 3.340 . 3.370 3.321 3.230 3.378 0.008 13 0 "[ . 1 . ]" 1 1188 1 78 GLU H 1 79 GLU H 3.770 . 3.810 2.521 2.411 2.659 . 0 0 "[ . 1 . ]" 1 1189 1 77 ARG HA 1 78 GLU H 2.830 . 2.860 2.234 2.171 2.306 . 0 0 "[ . 1 . ]" 1 1190 1 78 GLU H 1 78 GLU HG2 4.540 . 4.590 3.491 3.286 3.805 . 0 0 "[ . 1 . ]" 1 1191 1 78 GLU H 1 78 GLU HG3 4.780 . 4.830 2.378 2.183 2.926 . 0 0 "[ . 1 . ]" 1 1192 1 77 ARG HB3 1 78 GLU H 3.610 . 3.650 3.219 2.775 3.681 0.031 13 0 "[ . 1 . ]" 1 1193 1 78 GLU H 1 81 ILE MD 4.950 . 5.000 4.077 3.663 4.295 . 0 0 "[ . 1 . ]" 1 1194 1 79 GLU H 1 81 ILE H 4.890 . 4.940 4.053 3.845 4.300 . 0 0 "[ . 1 . ]" 1 1195 1 77 ARG HA 1 79 GLU H 4.250 . 4.290 3.953 3.711 4.232 . 0 0 "[ . 1 . ]" 1 1196 1 77 ARG HD2 1 79 GLU H 5.500 . 5.550 4.308 2.800 5.265 . 0 0 "[ . 1 . ]" 1 1197 1 77 ARG HD3 1 79 GLU H 5.500 . 5.550 4.533 3.814 5.503 . 0 0 "[ . 1 . ]" 1 1198 1 79 GLU H 1 79 GLU HG2 5.080 . 5.130 3.998 1.980 4.598 . 0 0 "[ . 1 . ]" 1 1199 1 79 GLU H 1 79 GLU HG3 5.080 . 5.130 4.037 2.127 4.513 . 0 0 "[ . 1 . ]" 1 1200 1 78 GLU HB2 1 79 GLU H 4.200 . 4.240 2.697 2.459 2.930 . 0 0 "[ . 1 . ]" 1 1201 1 78 GLU HB3 1 79 GLU H 4.200 . 4.240 3.726 3.500 3.966 . 0 0 "[ . 1 . ]" 1 1202 1 79 GLU H 1 79 GLU HB2 3.500 . 3.540 2.626 2.355 3.556 0.016 7 0 "[ . 1 . ]" 1 1203 1 79 GLU H 1 79 GLU HB3 3.500 . 3.540 2.669 2.363 3.549 0.009 8 0 "[ . 1 . ]" 1 1204 1 79 GLU H 1 80 ASP H 3.590 . 3.630 2.735 2.611 2.837 . 0 0 "[ . 1 . ]" 1 1205 1 78 GLU H 1 80 ASP H 5.230 . 5.280 4.073 3.896 4.212 . 0 0 "[ . 1 . ]" 1 1206 1 77 ARG H 1 80 ASP H 4.610 . 4.660 4.091 3.943 4.281 . 0 0 "[ . 1 . ]" 1 1207 1 80 ASP H 1 82 GLU H 4.300 . 4.340 4.218 3.930 4.343 0.003 14 0 "[ . 1 . ]" 1 1208 1 80 ASP H 1 81 ILE H 3.020 . 3.050 2.579 2.488 2.733 . 0 0 "[ . 1 . ]" 1 1209 1 77 ARG HA 1 80 ASP H 5.040 . 5.090 4.306 4.180 4.513 . 0 0 "[ . 1 . ]" 1 1210 1 78 GLU HA 1 80 ASP H 4.580 . 4.630 4.282 4.040 4.453 . 0 0 "[ . 1 . ]" 1 1211 1 80 ASP H 1 81 ILE HA 5.430 . 5.480 5.203 5.124 5.334 . 0 0 "[ . 1 . ]" 1 1212 1 77 ARG HD2 1 80 ASP H 5.500 . 5.550 4.119 3.294 5.483 . 0 0 "[ . 1 . ]" 1 1213 1 77 ARG HD3 1 80 ASP H 5.500 . 5.550 4.738 3.214 5.560 0.010 14 0 "[ . 1 . ]" 1 1214 1 80 ASP H 1 80 ASP HB2 3.210 . 3.240 2.350 2.250 2.594 . 0 0 "[ . 1 . ]" 1 1215 1 80 ASP H 1 80 ASP HB3 3.590 . 3.630 3.578 3.540 3.615 . 0 0 "[ . 1 . ]" 1 1216 1 77 ARG HB2 1 80 ASP H 3.840 . 3.880 2.828 2.045 3.890 0.010 12 0 "[ . 1 . ]" 1 1217 1 80 ASP H 1 81 ILE HG13 4.300 . 4.340 4.276 4.109 4.346 0.006 4 0 "[ . 1 . ]" 1 1218 1 78 GLU HA 1 81 ILE H 3.960 . 4.000 3.170 2.845 3.380 . 0 0 "[ . 1 . ]" 1 1219 1 80 ASP HB2 1 81 ILE H 3.700 . 3.740 2.782 2.380 2.901 . 0 0 "[ . 1 . ]" 1 1220 1 81 ILE H 1 81 ILE HG13 3.280 . 3.310 2.210 2.065 2.304 . 0 0 "[ . 1 . ]" 1 1221 1 81 ILE H 1 81 ILE HG12 3.800 . 3.840 3.492 3.404 3.572 . 0 0 "[ . 1 . ]" 1 1222 1 83 ARG H 1 85 ARG H 4.770 . 4.820 4.356 4.186 4.436 . 0 0 "[ . 1 . ]" 1 1223 1 80 ASP HA 1 83 ARG H 4.550 . 4.600 3.314 3.140 3.600 . 0 0 "[ . 1 . ]" 1 1224 1 81 ILE H 1 81 ILE HB 3.140 . 3.170 2.488 2.409 2.536 . 0 0 "[ . 1 . ]" 1 1225 1 82 GLU H 1 84 VAL H 5.110 . 5.160 4.237 4.091 4.418 . 0 0 "[ . 1 . ]" 1 1226 1 80 ASP HA 1 84 VAL H 4.850 . 4.900 3.879 3.697 4.041 . 0 0 "[ . 1 . ]" 1 1227 1 81 ILE HA 1 84 VAL H 4.340 . 4.380 3.628 3.492 3.754 . 0 0 "[ . 1 . ]" 1 1228 1 84 VAL H 1 84 VAL HB 2.970 . 3.000 2.556 2.489 2.598 . 0 0 "[ . 1 . ]" 1 1229 1 83 ARG HG2 1 84 VAL H 5.030 . 5.080 4.036 2.346 5.080 . 0 0 "[ . 1 . ]" 1 1230 1 84 VAL H 1 84 VAL MG1 3.780 . 3.820 2.177 2.110 2.219 . 0 0 "[ . 1 . ]" 1 1231 1 81 ILE MG 1 84 VAL H 5.080 . 5.130 4.881 4.775 4.998 . 0 0 "[ . 1 . ]" 1 1232 1 85 ARG H 1 86 ARG H 3.510 . 3.550 2.811 2.764 2.856 . 0 0 "[ . 1 . ]" 1 1233 1 84 VAL H 1 85 ARG H 3.250 . 3.280 2.671 2.593 2.822 . 0 0 "[ . 1 . ]" 1 1234 1 82 GLU HA 1 85 ARG H 3.890 . 3.930 3.625 3.356 3.936 0.006 2 0 "[ . 1 . ]" 1 1235 1 85 ARG H 1 85 ARG HB3 2.960 . 2.990 2.414 2.222 2.533 . 0 0 "[ . 1 . ]" 1 1236 1 85 ARG H 1 85 ARG HG2 4.310 . 4.350 2.504 2.266 2.946 . 0 0 "[ . 1 . ]" 1 1237 1 85 ARG H 1 86 ARG HG2 4.690 . 4.740 4.341 4.225 4.458 . 0 0 "[ . 1 . ]" 1 1238 1 85 ARG H 1 85 ARG HG3 4.310 . 4.350 3.670 3.427 4.027 . 0 0 "[ . 1 . ]" 1 1239 1 84 VAL MG1 1 85 ARG H 4.210 . 4.250 1.963 1.874 2.029 . 0 0 "[ . 1 . ]" 1 1240 1 81 ILE MG 1 85 ARG H 4.420 . 4.460 4.049 3.909 4.170 . 0 0 "[ . 1 . ]" 1 1241 1 85 ARG H 1 88 LEU HG 5.500 . 5.550 5.564 5.560 5.567 0.017 12 0 "[ . 1 . ]" 1 1242 1 84 VAL H 1 86 ARG H 4.750 . 4.800 4.206 4.099 4.340 . 0 0 "[ . 1 . ]" 1 1243 1 82 GLU HA 1 86 ARG H 4.220 . 4.260 3.797 3.632 3.995 . 0 0 "[ . 1 . ]" 1 1244 1 83 ARG HA 1 86 ARG H 4.170 . 4.210 4.044 3.838 4.212 0.002 12 0 "[ . 1 . ]" 1 1245 1 86 ARG H 1 87 HIS HB2 4.920 . 4.970 4.916 4.793 4.976 0.006 6 0 "[ . 1 . ]" 1 1246 1 85 ARG HG2 1 86 ARG H 4.460 . 4.500 2.374 2.050 2.649 . 0 0 "[ . 1 . ]" 1 1247 1 85 ARG HG3 1 86 ARG H 4.460 . 4.500 2.443 2.155 2.839 . 0 0 "[ . 1 . ]" 1 1248 1 86 ARG H 1 87 HIS H 3.260 . 3.290 2.557 2.513 2.622 . 0 0 "[ . 1 . ]" 1 1249 1 87 HIS H 1 89 ALA H 4.530 . 4.580 3.897 3.821 3.957 . 0 0 "[ . 1 . ]" 1 1250 1 85 ARG H 1 87 HIS H 5.190 . 5.240 4.150 3.966 4.235 . 0 0 "[ . 1 . ]" 1 1251 1 83 ARG HA 1 87 HIS H 5.040 . 5.090 4.256 4.035 4.522 . 0 0 "[ . 1 . ]" 1 1252 1 85 ARG HA 1 87 HIS H 5.430 . 5.480 4.414 4.181 4.565 . 0 0 "[ . 1 . ]" 1 1253 1 84 VAL HA 1 87 HIS H 3.970 . 4.010 3.479 3.374 3.596 . 0 0 "[ . 1 . ]" 1 1254 1 87 HIS H 1 87 HIS HB3 3.120 . 3.150 2.495 2.418 2.597 . 0 0 "[ . 1 . ]" 1 1255 1 87 HIS H 1 87 HIS HB2 3.130 . 3.160 2.538 2.450 2.616 . 0 0 "[ . 1 . ]" 1 1256 1 86 ARG HG3 1 87 HIS H 3.640 . 3.680 2.517 2.260 2.816 . 0 0 "[ . 1 . ]" 1 1257 1 86 ARG HG2 1 87 HIS H 4.440 . 4.480 2.492 2.057 2.847 . 0 0 "[ . 1 . ]" 1 1258 1 87 HIS H 1 88 LEU HB2 4.650 . 4.700 4.464 4.355 4.597 . 0 0 "[ . 1 . ]" 1 1259 1 87 HIS H 1 88 LEU H 3.400 . 3.430 2.563 2.458 2.696 . 0 0 "[ . 1 . ]" 1 1260 1 84 VAL HA 1 88 LEU H 4.760 . 4.810 4.056 3.855 4.282 . 0 0 "[ . 1 . ]" 1 1261 1 87 HIS HB3 1 88 LEU H 3.530 . 3.570 2.641 2.563 2.743 . 0 0 "[ . 1 . ]" 1 1262 1 87 HIS HB2 1 88 LEU H 3.890 . 3.930 3.877 3.786 3.932 0.002 16 0 "[ . 1 . ]" 1 1263 1 88 LEU H 1 88 LEU HB2 3.350 . 3.380 2.187 2.164 2.233 . 0 0 "[ . 1 . ]" 1 1264 1 88 LEU H 1 88 LEU HB3 3.740 . 3.780 3.492 3.476 3.526 . 0 0 "[ . 1 . ]" 1 1265 1 88 LEU H 1 88 LEU HG 3.950 . 3.990 3.840 3.788 3.879 . 0 0 "[ . 1 . ]" 1 1266 1 88 LEU H 1 88 LEU MD2 4.100 . 4.140 2.320 2.261 2.394 . 0 0 "[ . 1 . ]" 1 1267 1 88 LEU H 1 89 ALA H 3.360 . 3.390 2.467 2.448 2.487 . 0 0 "[ . 1 . ]" 1 1268 1 89 ALA H 1 93 TRP HZ3 4.790 . 4.840 3.935 3.609 4.453 . 0 0 "[ . 1 . ]" 1 1269 1 89 ALA H 1 90 LEU H 3.580 . 3.620 2.656 2.626 2.717 . 0 0 "[ . 1 . ]" 1 1270 1 88 LEU HB2 1 89 ALA H 3.680 . 3.720 2.913 2.853 3.038 . 0 0 "[ . 1 . ]" 1 1271 1 88 LEU HB3 1 89 ALA H 3.930 . 3.970 3.523 3.459 3.623 . 0 0 "[ . 1 . ]" 1 1272 1 88 LEU MD1 1 89 ALA H 5.500 . 5.550 4.829 4.799 4.862 . 0 0 "[ . 1 . ]" 1 1273 1 88 LEU MD2 1 89 ALA H 5.500 . 5.550 4.162 4.117 4.196 . 0 0 "[ . 1 . ]" 1 1274 1 88 LEU H 1 90 LEU H 4.870 . 4.920 4.030 3.951 4.194 . 0 0 "[ . 1 . ]" 1 1275 1 87 HIS HA 1 90 LEU H 4.420 . 4.460 3.833 3.663 4.072 . 0 0 "[ . 1 . ]" 1 1276 1 88 LEU HA 1 90 LEU H 4.770 . 4.820 3.791 3.720 3.871 . 0 0 "[ . 1 . ]" 1 1277 1 90 LEU H 1 90 LEU HB2 3.140 . 3.170 2.510 2.479 2.543 . 0 0 "[ . 1 . ]" 1 1278 1 90 LEU H 1 90 LEU HB3 3.660 . 3.700 3.588 3.576 3.596 . 0 0 "[ . 1 . ]" 1 1279 1 90 LEU H 1 90 LEU HG 3.430 . 3.460 2.233 2.157 2.306 . 0 0 "[ . 1 . ]" 1 1280 1 89 ALA H 1 91 GLN H 5.080 . 5.130 4.391 4.286 4.484 . 0 0 "[ . 1 . ]" 1 1281 1 90 LEU H 1 91 GLN H 3.220 . 3.250 2.697 2.607 2.783 . 0 0 "[ . 1 . ]" 1 1282 1 91 GLN H 1 91 GLN HE22 4.900 . 4.950 2.646 2.504 3.249 . 0 0 "[ . 1 . ]" 1 1283 1 89 ALA HA 1 91 GLN H 4.400 . 4.440 4.144 4.008 4.257 . 0 0 "[ . 1 . ]" 1 1284 1 91 GLN H 1 92 GLY HA2 5.220 . 5.270 4.784 4.676 4.880 . 0 0 "[ . 1 . ]" 1 1285 1 91 GLN H 1 92 GLY HA3 5.220 . 5.270 5.079 4.982 5.167 . 0 0 "[ . 1 . ]" 1 1286 1 88 LEU HA 1 91 GLN H 4.820 . 4.870 3.425 3.365 3.494 . 0 0 "[ . 1 . ]" 1 1287 1 91 GLN H 1 91 GLN HB2 3.700 . 3.740 2.409 2.353 2.443 . 0 0 "[ . 1 . ]" 1 1288 1 91 GLN H 1 91 GLN HB3 3.700 . 3.740 3.613 3.591 3.636 . 0 0 "[ . 1 . ]" 1 1289 1 90 LEU HB2 1 91 GLN H 3.740 . 3.780 2.576 2.433 2.765 . 0 0 "[ . 1 . ]" 1 1290 1 89 ALA MB 1 91 GLN H 4.870 . 4.920 4.670 4.563 4.791 . 0 0 "[ . 1 . ]" 1 1291 1 90 LEU HB3 1 91 GLN H 3.890 . 3.930 3.622 3.508 3.801 . 0 0 "[ . 1 . ]" 1 1292 1 90 LEU HG 1 91 GLN H 4.740 . 4.790 4.299 4.229 4.392 . 0 0 "[ . 1 . ]" 1 1293 1 16 TRP HE1 1 92 GLY H 4.210 . 4.250 2.917 2.738 3.097 . 0 0 "[ . 1 . ]" 1 1294 1 92 GLY H 1 93 TRP H 4.430 . 4.470 4.397 4.344 4.421 . 0 0 "[ . 1 . ]" 1 1295 1 90 LEU H 1 92 GLY H 4.310 . 4.350 3.842 3.764 3.904 . 0 0 "[ . 1 . ]" 1 1296 1 89 ALA HA 1 92 GLY H 3.620 . 3.660 2.921 2.787 2.987 . 0 0 "[ . 1 . ]" 1 1297 1 91 GLN HA 1 92 GLY H 3.550 . 3.590 3.514 3.485 3.534 . 0 0 "[ . 1 . ]" 1 1298 1 90 LEU HA 1 92 GLY H 4.640 . 4.690 4.464 4.319 4.567 . 0 0 "[ . 1 . ]" 1 1299 1 91 GLN HB2 1 92 GLY H 4.450 . 4.490 2.758 2.672 2.892 . 0 0 "[ . 1 . ]" 1 1300 1 91 GLN HB3 1 92 GLY H 4.450 . 4.490 3.669 3.568 3.789 . 0 0 "[ . 1 . ]" 1 1301 1 90 LEU HB2 1 92 GLY H 5.220 . 5.270 4.791 4.728 4.831 . 0 0 "[ . 1 . ]" 1 1302 1 89 ALA MB 1 92 GLY H 4.830 . 4.880 4.284 4.212 4.372 . 0 0 "[ . 1 . ]" 1 1303 1 90 LEU HB3 1 92 GLY H 5.500 . 5.550 5.555 5.547 5.561 0.011 16 0 "[ . 1 . ]" 1 1304 1 93 TRP H 1 94 PRO HD3 5.210 . 5.260 3.123 2.777 3.650 . 0 0 "[ . 1 . ]" 1 1305 1 9 PHE QD 1 99 ARG H 5.270 . 5.320 2.503 1.793 3.449 0.007 6 0 "[ . 1 . ]" 1 1306 1 98 PRO HA 1 99 ARG H 2.810 . 2.840 2.259 2.054 2.669 . 0 0 "[ . 1 . ]" 1 1307 1 99 ARG H 1 100 ASP HB2 5.500 . 5.550 5.189 4.290 5.583 0.033 2 0 "[ . 1 . ]" 1 1308 1 99 ARG H 1 100 ASP HB3 5.500 . 5.550 5.083 4.553 5.562 0.012 15 0 "[ . 1 . ]" 1 1309 1 98 PRO HB2 1 99 ARG H 3.960 . 4.000 3.303 2.676 3.999 . 0 0 "[ . 1 . ]" 1 1310 1 99 ARG H 1 99 ARG HB2 3.790 . 3.830 2.923 2.250 3.701 . 0 0 "[ . 1 . ]" 1 1311 1 99 ARG H 1 99 ARG HB3 3.790 . 3.830 3.239 2.559 3.774 . 0 0 "[ . 1 . ]" 1 1312 1 99 ARG H 1 100 ASP H 3.420 . 3.450 2.364 1.787 2.682 0.013 15 0 "[ . 1 . ]" 1 1313 1 9 PHE QD 1 100 ASP H 5.500 . 5.550 4.503 3.336 5.035 . 0 0 "[ . 1 . ]" 1 1314 1 98 PRO HA 1 100 ASP H 4.660 . 4.710 3.966 3.536 4.366 . 0 0 "[ . 1 . ]" 1 1315 1 9 PHE HB2 1 100 ASP H 5.030 . 5.080 3.754 1.807 4.810 . 0 0 "[ . 1 . ]" 1 1316 1 9 PHE HB3 1 100 ASP H 5.030 . 5.080 4.370 2.923 5.109 0.029 7 0 "[ . 1 . ]" 1 1317 1 99 ARG HB2 1 100 ASP H 3.750 . 3.790 3.168 2.514 3.799 0.009 2 0 "[ . 1 . ]" 1 1318 1 99 ARG HB3 1 100 ASP H 3.750 . 3.790 3.741 3.305 3.822 0.032 9 0 "[ . 1 . ]" 1 1319 1 99 ARG HG2 1 100 ASP H 5.220 . 5.270 4.056 2.671 5.075 . 0 0 "[ . 1 . ]" 1 1320 1 100 ASP HA 1 101 GLY H 2.820 . 2.850 2.343 2.105 2.867 0.017 15 0 "[ . 1 . ]" 1 1321 1 101 GLY H 1 102 GLU H 3.660 . 3.700 2.890 1.798 3.716 0.016 2 0 "[ . 1 . ]" 1 1322 1 6 VAL H 1 6 VAL MG2 3.050 . 3.080 2.035 1.796 2.494 0.004 14 0 "[ . 1 . ]" 1 1323 1 102 GLU HA 1 103 GLU H 2.690 . 2.720 2.177 2.100 2.366 . 0 0 "[ . 1 . ]" 1 1324 1 35 ALA H 1 71 MET ME 3.580 . 3.620 3.386 3.246 3.614 . 0 0 "[ . 1 . ]" 1 1325 1 102 GLU HB2 1 103 GLU H 4.380 . 4.420 4.071 3.272 4.451 0.031 1 0 "[ . 1 . ]" 1 1326 1 103 GLU H 1 103 GLU HB3 3.870 . 3.910 3.317 2.446 3.889 . 0 0 "[ . 1 . ]" 1 1327 1 105 ASP HA 1 106 GLY H 2.940 . 2.970 2.330 2.111 2.982 0.012 12 0 "[ . 1 . ]" 1 1328 1 107 GLU H 1 107 GLU HG2 5.500 . 5.550 3.898 2.422 4.877 . 0 0 "[ . 1 . ]" 1 1329 1 107 GLU H 1 107 GLU HG3 5.500 . 5.550 3.751 1.827 4.888 . 0 0 "[ . 1 . ]" 1 1330 1 33 LEU HB2 1 34 LEU H 3.830 . 3.870 3.694 3.642 3.718 . 0 0 "[ . 1 . ]" 1 1331 1 34 LEU H 1 34 LEU HB2 3.180 . 3.210 2.184 2.146 2.211 . 0 0 "[ . 1 . ]" 1 1332 1 33 LEU HB3 1 34 LEU H 4.250 . 4.290 2.389 2.362 2.410 . 0 0 "[ . 1 . ]" 1 1333 1 34 LEU H 1 67 LEU MD2 4.890 . 4.940 4.816 4.707 4.904 . 0 0 "[ . 1 . ]" 1 1334 1 33 LEU H 1 34 LEU H 3.550 . 3.590 2.779 2.735 2.831 . 0 0 "[ . 1 . ]" 1 1335 1 33 LEU H 1 35 ALA H 5.110 . 5.160 4.017 3.916 4.127 . 0 0 "[ . 1 . ]" 1 1336 1 31 VAL H 1 33 LEU H 4.990 . 5.040 4.009 3.951 4.049 . 0 0 "[ . 1 . ]" 1 1337 1 30 ARG HA 1 33 LEU H 3.990 . 4.030 3.583 3.460 3.706 . 0 0 "[ . 1 . ]" 1 1338 1 33 LEU H 1 33 LEU HB2 3.180 . 3.210 2.411 2.367 2.459 . 0 0 "[ . 1 . ]" 1 1339 1 32 PRO HG3 1 33 LEU H 3.890 . 3.930 3.922 3.879 3.935 0.005 12 0 "[ . 1 . ]" 1 1340 1 33 LEU H 1 33 LEU HB3 3.250 . 3.280 2.634 2.603 2.679 . 0 0 "[ . 1 . ]" 1 1341 1 33 LEU H 1 84 VAL MG1 4.020 . 4.060 3.105 2.829 3.398 . 0 0 "[ . 1 . ]" 1 1342 1 33 LEU H 1 33 LEU MD1 4.590 . 4.640 4.274 4.248 4.300 . 0 0 "[ . 1 . ]" 1 1343 1 33 LEU H 1 33 LEU MD2 4.840 . 4.890 4.013 3.967 4.053 . 0 0 "[ . 1 . ]" 1 1344 1 33 LEU H 1 33 LEU HG 4.600 . 4.650 4.598 4.578 4.619 . 0 0 "[ . 1 . ]" 1 1345 1 96 ASP H 1 97 ASP H 3.040 . 3.070 2.545 2.151 3.019 . 0 0 "[ . 1 . ]" 1 1346 1 96 ASP H 1 96 ASP HB3 3.640 . 3.680 2.544 2.315 2.706 . 0 0 "[ . 1 . ]" 1 1347 1 95 LEU HG 1 96 ASP H 5.490 . 5.540 5.253 4.678 5.429 . 0 0 "[ . 1 . ]" 1 1348 1 95 LEU HB3 1 96 ASP H 4.140 . 4.180 3.768 2.908 4.056 . 0 0 "[ . 1 . ]" 1 1349 1 95 LEU HB2 1 96 ASP H 4.180 . 4.220 3.600 3.406 4.090 . 0 0 "[ . 1 . ]" 1 1350 1 96 ASP HB2 1 97 ASP H 4.790 . 4.840 4.008 3.752 4.234 . 0 0 "[ . 1 . ]" 1 1351 1 95 LEU HB3 1 97 ASP H 5.500 . 5.550 5.417 5.133 5.560 0.010 12 0 "[ . 1 . ]" 1 1352 1 7 ASN H 1 8 ALA H 4.800 . 4.850 4.633 4.604 4.656 . 0 0 "[ . 1 . ]" 1 1353 1 6 VAL HA 1 7 ASN H 3.170 . 3.200 2.491 2.387 2.631 . 0 0 "[ . 1 . ]" 1 1354 1 7 ASN H 1 7 ASN HB2 3.440 . 3.470 2.178 2.107 2.262 . 0 0 "[ . 1 . ]" 1 1355 1 6 VAL HB 1 7 ASN H 3.830 . 3.870 2.052 1.785 2.270 0.015 7 0 "[ . 1 . ]" 1 1356 1 7 ASN H 1 10 LEU HB2 4.770 . 4.820 2.905 2.433 3.258 . 0 0 "[ . 1 . ]" 1 1357 1 7 ASN H 1 10 LEU HB3 4.770 . 4.820 4.149 3.471 4.656 . 0 0 "[ . 1 . ]" 1 1358 1 7 ASN H 1 10 LEU HG 4.350 . 4.390 3.717 3.130 4.162 . 0 0 "[ . 1 . ]" 1 1359 1 6 VAL MG2 1 7 ASN H 4.150 . 4.190 3.315 3.039 3.536 . 0 0 "[ . 1 . ]" 1 1360 1 7 ASN H 1 10 LEU MD2 4.630 . 4.680 3.452 2.986 3.831 . 0 0 "[ . 1 . ]" 1 1361 1 34 LEU H 1 35 ALA H 3.820 . 3.860 2.596 2.532 2.649 . 0 0 "[ . 1 . ]" 1 1362 1 16 TRP HE1 1 91 GLN H 4.360 . 4.400 4.109 4.005 4.241 . 0 0 "[ . 1 . ]" 1 1363 1 16 TRP HE1 1 93 TRP HE3 4.430 . 4.470 4.091 3.920 4.207 . 0 0 "[ . 1 . ]" 1 1364 1 16 TRP HE1 1 89 ALA HA 4.170 . 4.210 3.472 3.367 3.665 . 0 0 "[ . 1 . ]" 1 1365 1 16 TRP HE1 1 88 LEU HA 4.880 . 4.930 3.598 3.440 3.730 . 0 0 "[ . 1 . ]" 1 1366 1 16 TRP HE1 1 91 GLN HB2 4.550 . 4.600 3.281 3.202 3.429 . 0 0 "[ . 1 . ]" 1 1367 1 16 TRP HE1 1 94 PRO HD3 4.430 . 4.470 3.695 3.431 4.243 . 0 0 "[ . 1 . ]" 1 1368 1 16 TRP HE1 1 89 ALA MB 5.290 . 5.340 4.764 4.694 4.881 . 0 0 "[ . 1 . ]" 1 1369 1 16 TRP HE1 1 94 PRO HD2 4.180 . 4.220 4.104 3.836 4.224 0.004 17 0 "[ . 1 . ]" 1 1370 1 16 TRP HE1 1 88 LEU MD1 4.500 . 4.540 3.129 2.938 3.310 . 0 0 "[ . 1 . ]" 1 1371 1 88 LEU HA 1 91 GLN HE21 4.560 . 4.610 2.100 1.978 2.299 . 0 0 "[ . 1 . ]" 1 1372 1 20 GLY HA2 1 91 GLN HE21 5.150 . 5.200 4.011 3.167 4.801 . 0 0 "[ . 1 . ]" 1 1373 1 91 GLN HA 1 91 GLN HE21 5.190 . 5.240 4.039 3.875 4.746 . 0 0 "[ . 1 . ]" 1 1374 1 91 GLN HA 1 91 GLN HE22 4.980 . 5.030 4.763 4.645 5.039 0.009 2 0 "[ . 1 . ]" 1 1375 1 20 GLY HA3 1 91 GLN HE21 5.150 . 5.200 3.587 2.514 4.264 . 0 0 "[ . 1 . ]" 1 1376 1 91 GLN HB3 1 91 GLN HE21 4.340 . 4.380 3.445 3.384 3.831 . 0 0 "[ . 1 . ]" 1 1377 1 90 LEU HB2 1 91 GLN HE21 5.080 . 5.130 3.629 3.362 4.393 . 0 0 "[ . 1 . ]" 1 1378 1 19 ALA MB 1 91 GLN HE21 5.080 . 5.130 4.631 4.262 4.907 . 0 0 "[ . 1 . ]" 1 1379 1 90 LEU HB3 1 91 GLN HE22 5.390 . 5.440 4.209 3.906 4.750 . 0 0 "[ . 1 . ]" 1 1380 1 90 LEU HB2 1 91 GLN HE22 5.050 . 5.100 2.562 2.307 3.116 . 0 0 "[ . 1 . ]" 1 1381 1 91 GLN HB3 1 91 GLN HE22 4.890 . 4.940 4.830 4.801 4.960 0.020 7 0 "[ . 1 . ]" 1 1382 1 88 LEU HA 1 91 GLN HE22 4.310 . 4.350 2.277 2.078 2.685 . 0 0 "[ . 1 . ]" 1 1383 1 20 GLY HA2 1 91 GLN HE22 4.930 . 4.980 3.862 3.323 4.595 . 0 0 "[ . 1 . ]" 1 1384 1 31 VAL MG1 1 70 GLN HE21 4.230 . 4.270 3.646 2.616 4.132 . 0 0 "[ . 1 . ]" 1 1385 1 31 VAL MG1 1 70 GLN HE22 4.810 . 4.860 4.424 3.660 4.874 0.014 8 0 "[ . 1 . ]" 1 1386 1 67 LEU HA 1 70 GLN HE22 5.350 . 5.400 4.116 3.454 5.410 0.010 8 0 "[ . 1 . ]" 1 1387 1 67 LEU HA 1 70 GLN HE21 5.310 . 5.360 2.769 1.793 4.632 0.007 13 0 "[ . 1 . ]" 1 1388 1 43 ASN HD21 1 46 ILE MG 4.550 . 4.600 3.341 2.552 4.393 . 0 0 "[ . 1 . ]" 1 1389 1 43 ASN HD22 1 46 ILE MG 4.640 . 4.690 4.157 3.729 4.698 0.008 4 0 "[ . 1 . ]" 1 1390 1 43 ASN HD22 1 68 ILE MG 4.540 . 4.590 4.101 3.346 4.593 0.003 5 0 "[ . 1 . ]" 1 1391 1 43 ASN HA 1 43 ASN HD22 5.360 . 5.410 3.758 3.395 4.281 . 0 0 "[ . 1 . ]" 1 1392 1 18 ASN HA 1 18 ASN HD22 4.800 . 4.850 3.703 3.504 4.285 . 0 0 "[ . 1 . ]" 1 1393 1 7 ASN HD21 1 10 LEU HG 4.830 . 4.880 4.514 3.831 4.895 0.015 17 0 "[ . 1 . ]" 1 1394 1 6 VAL HB 1 7 ASN HD21 5.430 . 5.480 5.143 4.105 5.501 0.021 16 0 "[ . 1 . ]" 1 1395 1 7 ASN HB2 1 7 ASN HD22 3.700 . 3.740 3.465 3.417 3.493 . 0 0 "[ . 1 . ]" 1 1396 1 7 ASN HA 1 7 ASN HD22 5.160 . 5.210 4.236 3.789 4.572 . 0 0 "[ . 1 . ]" 1 1397 1 83 ARG HB2 1 83 ARG HE 4.900 . 4.950 3.974 2.174 4.632 . 0 0 "[ . 1 . ]" 1 1398 1 83 ARG HB3 1 83 ARG HE 4.900 . 4.950 3.811 2.396 4.713 . 0 0 "[ . 1 . ]" 1 1399 1 85 ARG HB2 1 85 ARG HE 5.010 . 5.060 3.535 2.057 4.738 . 0 0 "[ . 1 . ]" 1 1400 1 85 ARG HB3 1 85 ARG HE 5.440 . 5.490 3.994 2.938 4.577 . 0 0 "[ . 1 . ]" 1 1401 1 25 VAL HB 1 30 ARG HE 5.500 . 5.550 4.737 3.900 5.554 0.004 15 0 "[ . 1 . ]" 1 1402 1 30 ARG HE 1 62 ILE HB 5.500 . 5.550 4.740 2.923 5.564 0.014 14 0 "[ . 1 . ]" 1 1403 1 93 TRP HE1 1 95 LEU HB3 3.920 . 3.960 3.432 2.683 3.824 . 0 0 "[ . 1 . ]" 1 1404 1 93 TRP HE1 1 95 LEU HB2 4.110 . 4.150 3.629 3.016 4.159 0.009 4 0 "[ . 1 . ]" 1 1405 1 5 MET H 1 5 MET QB 3.620 . 3.660 2.602 2.215 3.316 . 0 0 "[ . 1 . ]" 1 1406 1 5 MET H 1 5 MET QG 4.240 . 4.280 3.528 2.062 4.253 . 0 0 "[ . 1 . ]" 1 1407 1 5 MET HA 1 5 MET QG 3.650 . 3.690 2.859 2.356 3.499 . 0 0 "[ . 1 . ]" 1 1408 1 5 MET QB 1 6 VAL H 4.000 . 4.040 3.107 1.963 4.005 . 0 0 "[ . 1 . ]" 1 1409 1 5 MET QB 1 6 VAL HA 4.740 . 4.790 4.359 4.021 4.793 0.003 4 0 "[ . 1 . ]" 1 1410 1 5 MET QG 1 6 VAL H 4.670 . 4.720 3.319 2.010 4.606 . 0 0 "[ . 1 . ]" 1 1411 1 6 VAL HA 1 10 LEU QB 4.850 . 4.900 4.303 4.015 4.645 . 0 0 "[ . 1 . ]" 1 1412 1 6 VAL HB 1 10 LEU QB 4.190 . 4.230 2.176 1.943 2.493 . 0 0 "[ . 1 . ]" 1 1413 1 6 VAL MG1 1 10 LEU QB 3.830 . 3.870 3.048 2.836 3.363 . 0 0 "[ . 1 . ]" 1 1414 1 6 VAL MG2 1 10 LEU QB 4.650 . 4.700 2.153 1.886 2.537 . 0 0 "[ . 1 . ]" 1 1415 1 7 ASN HB2 1 10 LEU QB 3.980 . 4.020 2.981 2.592 3.322 . 0 0 "[ . 1 . ]" 1 1416 1 7 ASN HB3 1 10 LEU QB 4.180 . 4.220 3.402 2.010 4.046 . 0 0 "[ . 1 . ]" 1 1417 1 9 PHE HA 1 12 LYS QB 4.160 . 4.200 2.711 2.436 3.172 . 0 0 "[ . 1 . ]" 1 1418 1 9 PHE HA 1 12 LYS QE 5.340 . 5.390 4.591 2.636 5.401 0.011 9 0 "[ . 1 . ]" 1 1419 1 9 PHE HA 1 99 ARG QB 5.340 . 5.390 3.489 1.868 4.713 . 0 0 "[ . 1 . ]" 1 1420 1 9 PHE HA 1 99 ARG QG 5.150 . 5.200 3.576 2.348 4.905 . 0 0 "[ . 1 . ]" 1 1421 1 9 PHE QB 1 10 LEU H 3.350 . 3.380 2.463 2.328 2.648 . 0 0 "[ . 1 . ]" 1 1422 1 9 PHE QB 1 99 ARG HA 4.000 . 4.040 3.802 3.204 4.050 0.010 13 0 "[ . 1 . ]" 1 1423 1 9 PHE QB 1 100 ASP H 4.330 . 4.370 3.516 1.795 4.394 0.024 5 0 "[ . 1 . ]" 1 1424 1 9 PHE QD 1 99 ARG QB 4.720 . 4.770 3.315 2.658 3.800 . 0 0 "[ . 1 . ]" 1 1425 1 9 PHE QD 1 99 ARG QG 4.120 . 4.160 2.867 1.793 3.882 0.007 10 0 "[ . 1 . ]" 1 1426 1 9 PHE HE2 1 41 LEU QD 4.240 . 4.280 3.074 1.924 4.647 0.367 12 0 "[ . 1 . ]" 1 1427 1 9 PHE QD 1 41 LEU QD 4.210 . 4.250 3.625 3.263 3.928 . 0 0 "[ . 1 . ]" 1 1428 1 10 LEU H 1 10 LEU QB 3.180 . 3.210 2.297 2.207 2.371 . 0 0 "[ . 1 . ]" 1 1429 1 10 LEU QB 1 11 ALA H 3.330 . 3.360 2.545 2.410 2.696 . 0 0 "[ . 1 . ]" 1 1430 1 10 LEU QB 1 49 ILE MD 4.610 . 4.660 2.542 2.359 2.912 . 0 0 "[ . 1 . ]" 1 1431 1 12 LYS H 1 12 LYS QB 3.340 . 3.370 2.272 2.167 2.586 . 0 0 "[ . 1 . ]" 1 1432 1 12 LYS H 1 12 LYS QG 4.740 . 4.790 3.662 2.034 4.051 . 0 0 "[ . 1 . ]" 1 1433 1 12 LYS HA 1 12 LYS QG 3.500 . 3.540 2.705 2.323 3.118 . 0 0 "[ . 1 . ]" 1 1434 1 12 LYS QB 1 13 ILE H 4.000 . 4.040 2.556 2.344 2.751 . 0 0 "[ . 1 . ]" 1 1435 1 12 LYS QG 1 13 ILE HA 5.340 . 5.590 4.297 3.348 5.632 0.042 13 0 "[ . 1 . ]" 1 1436 1 13 ILE HA 1 16 TRP QB 4.310 . 4.350 2.437 2.245 2.799 . 0 0 "[ . 1 . ]" 1 1437 1 13 ILE HA 1 94 PRO QG 4.740 . 4.790 2.749 2.371 3.048 . 0 0 "[ . 1 . ]" 1 1438 1 13 ILE HG12 1 94 PRO QB 4.070 . 4.110 3.534 2.974 3.831 . 0 0 "[ . 1 . ]" 1 1439 1 13 ILE MD 1 41 LEU QD 3.920 . 3.960 2.550 2.139 3.133 . 0 0 "[ . 1 . ]" 1 1440 1 13 ILE MD 1 94 PRO QB 3.450 . 3.480 2.065 1.844 2.675 . 0 0 "[ . 1 . ]" 1 1441 1 15 ALA MB 1 16 TRP QB 4.290 . 4.330 3.793 3.665 3.855 . 0 0 "[ . 1 . ]" 1 1442 1 16 TRP H 1 16 TRP QB 2.820 . 2.850 2.104 2.054 2.126 . 0 0 "[ . 1 . ]" 1 1443 1 16 TRP QB 1 17 LEU H 3.690 . 3.730 2.658 2.577 2.832 . 0 0 "[ . 1 . ]" 1 1444 1 16 TRP QB 1 19 ALA MB 5.340 . 5.390 4.468 4.233 4.723 . 0 0 "[ . 1 . ]" 1 1445 1 16 TRP QB 1 94 PRO QG 3.970 . 4.010 2.661 2.383 3.076 . 0 0 "[ . 1 . ]" 1 1446 1 16 TRP HD1 1 91 GLN QB 3.410 . 3.440 2.258 2.046 2.430 . 0 0 "[ . 1 . ]" 1 1447 1 16 TRP HE1 1 91 GLN QB 3.990 . 4.030 3.212 3.142 3.340 . 0 0 "[ . 1 . ]" 1 1448 1 16 TRP HE1 1 92 GLY QA 4.690 . 4.740 4.036 3.754 4.316 . 0 0 "[ . 1 . ]" 1 1449 1 16 TRP HZ3 1 37 LEU QD 4.100 . 4.140 2.288 1.793 2.968 0.007 12 0 "[ . 1 . ]" 1 1450 1 18 ASN H 1 53 LEU QD 4.760 . 4.810 4.176 3.906 4.580 . 0 0 "[ . 1 . ]" 1 1451 1 18 ASN HB2 1 53 LEU QD 3.690 . 3.730 3.164 2.801 3.495 . 0 0 "[ . 1 . ]" 1 1452 1 18 ASN HB3 1 53 LEU QD 4.600 . 4.650 4.337 3.939 4.661 0.011 3 0 "[ . 1 . ]" 1 1453 1 19 ALA MB 1 91 GLN QB 3.770 . 3.810 2.746 2.519 3.001 . 0 0 "[ . 1 . ]" 1 1454 1 20 GLY QA 1 21 TYR HD2 5.340 . 5.390 3.818 3.447 4.148 . 0 0 "[ . 1 . ]" 1 1455 1 20 GLY QA 1 88 LEU MD1 3.760 . 3.800 2.898 2.360 3.452 . 0 0 "[ . 1 . ]" 1 1456 1 20 GLY QA 1 88 LEU MD2 4.070 . 4.110 3.610 3.206 4.104 . 0 0 "[ . 1 . ]" 1 1457 1 20 GLY QA 1 91 GLN HG2 3.840 . 3.880 2.677 2.255 2.996 . 0 0 "[ . 1 . ]" 1 1458 1 20 GLY QA 1 91 GLN HG3 4.310 . 4.350 3.676 3.171 3.951 . 0 0 "[ . 1 . ]" 1 1459 1 20 GLY QA 1 91 GLN HE21 4.380 . 4.420 3.328 2.449 3.979 . 0 0 "[ . 1 . ]" 1 1460 1 20 GLY QA 1 91 GLN HE22 4.240 . 4.280 3.400 3.089 4.024 . 0 0 "[ . 1 . ]" 1 1461 1 21 TYR H 1 22 PRO QD 3.700 . 3.740 3.194 2.723 3.539 . 0 0 "[ . 1 . ]" 1 1462 1 21 TYR HA 1 22 PRO QD 3.480 . 3.510 2.076 1.884 2.258 . 0 0 "[ . 1 . ]" 1 1463 1 21 TYR HB2 1 22 PRO QD 5.270 . 5.320 4.423 4.383 4.442 . 0 0 "[ . 1 . ]" 1 1464 1 21 TYR HB2 1 25 VAL QG 4.000 . 4.040 2.604 2.214 3.403 . 0 0 "[ . 1 . ]" 1 1465 1 21 TYR HB3 1 25 VAL QG 3.950 . 3.990 2.636 2.299 3.346 . 0 0 "[ . 1 . ]" 1 1466 1 21 TYR HD2 1 25 VAL QG 3.610 . 3.650 2.572 2.415 3.331 . 0 0 "[ . 1 . ]" 1 1467 1 21 TYR HE2 1 25 VAL QG 3.760 . 3.800 2.869 2.806 3.262 . 0 0 "[ . 1 . ]" 1 1468 1 21 TYR HE2 1 84 VAL QG 4.740 . 4.790 3.123 2.765 3.820 . 0 0 "[ . 1 . ]" 1 1469 1 21 TYR HE1 1 25 VAL QG 4.420 . 4.460 2.818 2.637 3.140 . 0 0 "[ . 1 . ]" 1 1470 1 21 TYR HD1 1 25 VAL QG 5.350 . 5.400 3.146 2.980 3.495 . 0 0 "[ . 1 . ]" 1 1471 1 22 PRO QB 1 23 GLU H 3.880 . 3.920 3.437 2.895 3.657 . 0 0 "[ . 1 . ]" 1 1472 1 22 PRO QD 1 23 GLU H 3.540 . 3.580 2.564 2.353 2.854 . 0 0 "[ . 1 . ]" 1 1473 1 23 GLU H 1 23 GLU QB 3.040 . 3.070 2.805 2.523 3.001 . 0 0 "[ . 1 . ]" 1 1474 1 23 GLU H 1 23 GLU QG 3.150 . 3.180 2.196 1.874 3.051 . 0 0 "[ . 1 . ]" 1 1475 1 23 GLU HA 1 23 GLU QG 3.690 . 3.730 3.310 2.512 3.519 . 0 0 "[ . 1 . ]" 1 1476 1 23 GLU QB 1 24 GLY H 4.330 . 4.370 3.738 3.325 4.031 . 0 0 "[ . 1 . ]" 1 1477 1 23 GLU QG 1 24 GLY H 4.720 . 4.770 3.242 2.384 4.356 . 0 0 "[ . 1 . ]" 1 1478 1 24 GLY QA 1 62 ILE MD 4.480 . 4.520 2.535 2.117 3.310 . 0 0 "[ . 1 . ]" 1 1479 1 25 VAL H 1 25 VAL QG 3.190 . 3.220 2.147 1.895 2.402 . 0 0 "[ . 1 . ]" 1 1480 1 25 VAL H 1 62 ILE QG 5.340 . 5.390 4.481 3.964 4.975 . 0 0 "[ . 1 . ]" 1 1481 1 25 VAL HB 1 30 ARG QD 5.340 . 5.390 3.106 2.574 5.225 . 0 0 "[ . 1 . ]" 1 1482 1 25 VAL QG 1 26 PRO HA 5.440 . 5.490 4.252 3.886 4.326 . 0 0 "[ . 1 . ]" 1 1483 1 25 VAL QG 1 26 PRO HB2 5.240 . 5.290 4.711 4.599 4.874 . 0 0 "[ . 1 . ]" 1 1484 1 25 VAL QG 1 26 PRO HD3 3.770 . 3.810 3.437 3.206 3.589 . 0 0 "[ . 1 . ]" 1 1485 1 25 VAL QG 1 26 PRO HD2 3.820 . 3.860 2.237 1.984 2.464 . 0 0 "[ . 1 . ]" 1 1486 1 25 VAL QG 1 29 ASP H 4.360 . 4.400 3.589 3.497 3.683 . 0 0 "[ . 1 . ]" 1 1487 1 25 VAL QG 1 29 ASP QB 3.070 . 3.100 2.024 1.934 2.152 . 0 0 "[ . 1 . ]" 1 1488 1 25 VAL QG 1 30 ARG H 3.920 . 3.960 2.817 2.683 3.097 . 0 0 "[ . 1 . ]" 1 1489 1 25 VAL QG 1 30 ARG HA 3.450 . 3.480 2.482 2.224 2.882 . 0 0 "[ . 1 . ]" 1 1490 1 25 VAL QG 1 30 ARG QG 3.420 . 3.450 2.221 1.709 2.350 0.091 15 0 "[ . 1 . ]" 1 1491 1 25 VAL QG 1 30 ARG QD 4.420 . 4.460 3.449 2.320 3.684 . 0 0 "[ . 1 . ]" 1 1492 1 25 VAL QG 1 30 ARG HE 5.440 . 5.490 4.505 2.905 5.087 . 0 0 "[ . 1 . ]" 1 1493 1 25 VAL QG 1 33 LEU H 5.010 . 5.060 4.475 4.214 4.854 . 0 0 "[ . 1 . ]" 1 1494 1 25 VAL QG 1 33 LEU HB2 4.270 . 4.310 3.023 2.686 3.492 . 0 0 "[ . 1 . ]" 1 1495 1 25 VAL QG 1 33 LEU HG 3.450 . 3.480 2.723 2.388 3.179 . 0 0 "[ . 1 . ]" 1 1496 1 25 VAL QG 1 33 LEU MD1 4.800 . 4.850 3.409 3.115 3.854 . 0 0 "[ . 1 . ]" 1 1497 1 25 VAL QG 1 33 LEU MD2 5.410 . 5.460 3.617 3.332 3.948 . 0 0 "[ . 1 . ]" 1 1498 1 25 VAL QG 1 84 VAL QG 4.130 . 4.170 3.441 3.171 3.916 . 0 0 "[ . 1 . ]" 1 1499 1 26 PRO HB2 1 29 ASP QB 5.340 . 5.390 4.080 3.936 4.334 . 0 0 "[ . 1 . ]" 1 1500 1 26 PRO HG2 1 29 ASP QB 4.350 . 4.390 2.251 2.038 2.592 . 0 0 "[ . 1 . ]" 1 1501 1 26 PRO HD3 1 29 ASP QB 4.060 . 4.100 3.933 3.777 4.058 . 0 0 "[ . 1 . ]" 1 1502 1 27 GLY H 1 28 PRO QG 4.660 . 4.710 4.398 4.212 4.546 . 0 0 "[ . 1 . ]" 1 1503 1 27 GLY HA2 1 29 ASP QB 5.340 . 5.390 5.290 5.147 5.394 0.004 4 0 "[ . 1 . ]" 1 1504 1 27 GLY HA2 1 30 ARG QD 3.980 . 4.020 3.318 1.868 4.017 . 0 0 "[ . 1 . ]" 1 1505 1 28 PRO HB2 1 29 ASP QB 5.340 . 5.390 4.711 4.386 5.168 . 0 0 "[ . 1 . ]" 1 1506 1 29 ASP H 1 29 ASP QB 3.040 . 3.070 2.412 2.360 2.460 . 0 0 "[ . 1 . ]" 1 1507 1 29 ASP HA 1 84 VAL QG 3.930 . 3.970 3.449 3.032 3.958 . 0 0 "[ . 1 . ]" 1 1508 1 29 ASP QB 1 30 ARG H 4.070 . 4.110 2.854 2.687 2.965 . 0 0 "[ . 1 . ]" 1 1509 1 29 ASP QB 1 30 ARG QG 3.990 . 4.030 3.677 3.449 3.815 . 0 0 "[ . 1 . ]" 1 1510 1 29 ASP QB 1 84 VAL QG 3.470 . 3.500 2.884 2.433 3.443 . 0 0 "[ . 1 . ]" 1 1511 1 30 ARG H 1 30 ARG QB 3.440 . 3.470 2.370 2.306 2.513 . 0 0 "[ . 1 . ]" 1 1512 1 30 ARG H 1 30 ARG QD 4.370 . 4.410 4.269 3.728 4.424 0.014 14 0 "[ . 1 . ]" 1 1513 1 30 ARG HA 1 30 ARG QD 4.400 . 4.440 3.995 3.861 4.218 . 0 0 "[ . 1 . ]" 1 1514 1 30 ARG QB 1 30 ARG QD 3.140 . 3.170 2.300 2.130 2.432 . 0 0 "[ . 1 . ]" 1 1515 1 30 ARG QB 1 31 VAL H 3.420 . 3.450 2.453 2.322 2.588 . 0 0 "[ . 1 . ]" 1 1516 1 30 ARG QB 1 67 LEU HG 4.190 . 4.230 1.977 1.796 2.346 0.004 11 0 "[ . 1 . ]" 1 1517 1 30 ARG QB 1 67 LEU MD1 4.320 . 4.360 2.067 1.848 2.342 . 0 0 "[ . 1 . ]" 1 1518 1 30 ARG QD 1 62 ILE HB 4.640 . 4.690 2.822 1.799 4.470 0.001 4 0 "[ . 1 . ]" 1 1519 1 30 ARG QD 1 62 ILE MG 3.960 . 4.000 2.452 1.797 3.285 0.003 9 0 "[ . 1 . ]" 1 1520 1 30 ARG QD 1 62 ILE MD 4.330 . 4.370 4.070 3.137 4.383 0.013 13 0 "[ . 1 . ]" 1 1521 1 30 ARG QD 1 67 LEU MD1 4.620 . 4.670 3.127 2.681 3.632 . 0 0 "[ . 1 . ]" 1 1522 1 30 ARG QD 1 67 LEU MD2 3.680 . 3.720 2.290 1.803 3.552 . 0 0 "[ . 1 . ]" 1 1523 1 32 PRO HG3 1 84 VAL QG 4.160 . 4.200 3.641 3.381 3.959 . 0 0 "[ . 1 . ]" 1 1524 1 32 PRO HD3 1 84 VAL QG 5.410 . 5.460 4.763 4.549 5.049 . 0 0 "[ . 1 . ]" 1 1525 1 33 LEU H 1 84 VAL QG 3.360 . 3.390 2.788 2.605 2.990 . 0 0 "[ . 1 . ]" 1 1526 1 33 LEU HA 1 84 VAL QG 3.460 . 3.490 2.168 2.040 2.377 . 0 0 "[ . 1 . ]" 1 1527 1 33 LEU HB2 1 84 VAL QG 3.210 . 3.240 2.164 1.872 2.510 . 0 0 "[ . 1 . ]" 1 1528 1 33 LEU HB3 1 84 VAL QG 4.600 . 4.650 3.546 3.331 3.785 . 0 0 "[ . 1 . ]" 1 1529 1 36 LEU H 1 36 LEU QD 4.830 . 4.880 3.669 3.659 3.680 . 0 0 "[ . 1 . ]" 1 1530 1 36 LEU H 1 84 VAL QG 4.650 . 4.700 3.934 3.639 4.189 . 0 0 "[ . 1 . ]" 1 1531 1 36 LEU HA 1 36 LEU QD 3.760 . 3.800 2.002 1.955 2.045 . 0 0 "[ . 1 . ]" 1 1532 1 36 LEU HA 1 39 ARG QG 3.980 . 4.020 2.548 2.319 2.790 . 0 0 "[ . 1 . ]" 1 1533 1 36 LEU HB2 1 84 VAL QG 4.160 . 4.200 3.055 2.618 3.539 . 0 0 "[ . 1 . ]" 1 1534 1 36 LEU QD 1 93 TRP HZ2 4.310 . 4.350 2.797 2.472 3.330 . 0 0 "[ . 1 . ]" 1 1535 1 36 LEU QD 1 93 TRP HH2 4.410 . 4.450 1.838 1.792 2.024 0.008 13 0 "[ . 1 . ]" 1 1536 1 37 LEU H 1 37 LEU QD 4.280 . 4.320 3.177 2.234 3.761 . 0 0 "[ . 1 . ]" 1 1537 1 37 LEU HA 1 37 LEU QD 3.690 . 3.730 2.369 1.898 3.056 . 0 0 "[ . 1 . ]" 1 1538 1 37 LEU HA 1 41 LEU QD 4.600 . 4.650 3.189 2.408 4.019 . 0 0 "[ . 1 . ]" 1 1539 1 38 THR H 1 39 ARG QG 4.330 . 4.370 3.881 3.707 3.988 . 0 0 "[ . 1 . ]" 1 1540 1 39 ARG H 1 39 ARG QG 3.050 . 3.080 2.158 2.042 2.195 . 0 0 "[ . 1 . ]" 1 1541 1 39 ARG H 1 39 ARG QD 4.840 . 4.890 3.459 3.030 4.100 . 0 0 "[ . 1 . ]" 1 1542 1 39 ARG H 1 41 LEU QD 5.440 . 5.490 4.664 4.236 5.219 . 0 0 "[ . 1 . ]" 1 1543 1 39 ARG HA 1 39 ARG QG 3.400 . 3.430 2.894 2.365 3.078 . 0 0 "[ . 1 . ]" 1 1544 1 39 ARG HA 1 39 ARG QD 4.620 . 4.670 2.458 1.931 4.219 . 0 0 "[ . 1 . ]" 1 1545 1 39 ARG HB2 1 39 ARG QD 3.550 . 3.590 3.369 2.499 3.549 . 0 0 "[ . 1 . ]" 1 1546 1 39 ARG HB2 1 40 ARG QD 4.200 . 4.240 3.839 1.994 4.243 0.003 14 0 "[ . 1 . ]" 1 1547 1 39 ARG HB3 1 39 ARG QD 3.410 . 3.440 2.814 2.364 3.160 . 0 0 "[ . 1 . ]" 1 1548 1 39 ARG QG 1 40 ARG H 4.650 . 4.700 4.009 3.897 4.123 . 0 0 "[ . 1 . ]" 1 1549 1 39 ARG QD 1 81 ILE MG 5.170 . 5.220 4.736 4.085 5.207 . 0 0 "[ . 1 . ]" 1 1550 1 39 ARG QD 1 81 ILE MD 5.340 . 5.390 4.674 4.287 5.129 . 0 0 "[ . 1 . ]" 1 1551 1 40 ARG H 1 40 ARG QD 3.950 . 3.990 3.782 2.424 4.011 0.021 11 0 "[ . 1 . ]" 1 1552 1 40 ARG H 1 41 LEU QD 4.260 . 4.300 3.516 2.913 4.314 0.014 13 0 "[ . 1 . ]" 1 1553 1 40 ARG HB2 1 40 ARG QD 3.710 . 3.750 2.351 2.133 2.463 . 0 0 "[ . 1 . ]" 1 1554 1 40 ARG HB2 1 41 LEU QD 4.210 . 4.250 3.042 2.090 4.238 . 0 0 "[ . 1 . ]" 1 1555 1 40 ARG HB3 1 40 ARG QD 3.720 . 3.760 2.769 2.369 3.268 . 0 0 "[ . 1 . ]" 1 1556 1 40 ARG QD 1 41 LEU QD 5.280 . 5.330 4.425 3.449 5.345 0.015 15 0 "[ . 1 . ]" 1 1557 1 40 ARG QD 1 95 LEU HB3 4.480 . 4.520 2.403 1.808 3.342 . 0 0 "[ . 1 . ]" 1 1558 1 40 ARG QD 1 95 LEU HG 4.730 . 4.780 3.109 2.475 4.028 . 0 0 "[ . 1 . ]" 1 1559 1 41 LEU H 1 41 LEU QD 4.200 . 4.240 2.779 1.892 3.964 . 0 0 "[ . 1 . ]" 1 1560 1 41 LEU QD 1 42 THR H 4.120 . 4.160 3.794 3.056 4.127 . 0 0 "[ . 1 . ]" 1 1561 1 41 LEU QD 1 45 GLU H 5.000 . 5.050 4.911 4.386 5.055 0.005 8 0 "[ . 1 . ]" 1 1562 1 41 LEU QD 1 45 GLU HB2 4.020 . 4.060 3.164 2.682 3.381 . 0 0 "[ . 1 . ]" 1 1563 1 41 LEU QD 1 45 GLU HB3 4.280 . 4.320 2.480 2.139 2.984 . 0 0 "[ . 1 . ]" 1 1564 1 41 LEU QD 1 46 ILE HA 4.630 . 4.680 3.066 2.530 3.495 . 0 0 "[ . 1 . ]" 1 1565 1 41 LEU QD 1 95 LEU HG 3.570 . 3.610 2.605 1.833 3.622 0.012 4 0 "[ . 1 . ]" 1 1566 1 43 ASN H 1 43 ASN QB 3.220 . 3.250 2.363 2.237 2.506 . 0 0 "[ . 1 . ]" 1 1567 1 43 ASN QB 1 44 ASP H 3.260 . 3.290 2.601 2.517 2.771 . 0 0 "[ . 1 . ]" 1 1568 1 43 ASN QB 1 46 ILE MG 3.980 . 4.020 3.465 3.330 3.616 . 0 0 "[ . 1 . ]" 1 1569 1 43 ASN QB 1 46 ILE MD 5.340 . 5.390 5.171 4.947 5.403 0.013 12 0 "[ . 1 . ]" 1 1570 1 44 ASP H 1 44 ASP QB 2.970 . 3.000 2.316 2.225 2.535 . 0 0 "[ . 1 . ]" 1 1571 1 44 ASP QB 1 45 GLU H 3.570 . 3.610 2.517 2.401 2.701 . 0 0 "[ . 1 . ]" 1 1572 1 46 ILE MG 1 47 LYS QE 5.340 . 5.390 4.418 3.728 4.992 . 0 0 "[ . 1 . ]" 1 1573 1 46 ILE QG 1 47 LYS H 4.980 . 5.030 4.177 4.074 4.280 . 0 0 "[ . 1 . ]" 1 1574 1 46 ILE QG 1 47 LYS HA 5.220 . 5.270 4.550 4.405 4.692 . 0 0 "[ . 1 . ]" 1 1575 1 46 ILE QG 1 47 LYS QG 5.180 . 5.230 4.903 4.802 4.970 . 0 0 "[ . 1 . ]" 1 1576 1 46 ILE MD 1 47 LYS QG 3.130 . 3.160 3.154 3.030 3.168 0.008 15 0 "[ . 1 . ]" 1 1577 1 47 LYS H 1 47 LYS QG 3.800 . 3.840 2.536 2.137 2.704 . 0 0 "[ . 1 . ]" 1 1578 1 47 LYS HA 1 47 LYS QG 3.680 . 3.720 2.332 2.248 2.565 . 0 0 "[ . 1 . ]" 1 1579 1 47 LYS HB3 1 47 LYS QD 3.530 . 3.570 2.296 2.231 2.474 . 0 0 "[ . 1 . ]" 1 1580 1 47 LYS QD 1 51 GLU HG2 5.040 . 5.090 4.938 4.690 5.104 0.014 17 0 "[ . 1 . ]" 1 1581 1 47 LYS QD 1 51 GLU HG3 4.870 . 4.920 4.918 4.798 4.935 0.015 1 0 "[ . 1 . ]" 1 1582 1 50 ALA HA 1 53 LEU QD 4.560 . 4.610 3.197 2.911 3.609 . 0 0 "[ . 1 . ]" 1 1583 1 51 GLU HA 1 54 GLU QG 3.190 . 3.220 2.666 1.977 3.232 0.012 15 0 "[ . 1 . ]" 1 1584 1 53 LEU HA 1 53 LEU QD 3.750 . 3.790 1.963 1.881 2.049 . 0 0 "[ . 1 . ]" 1 1585 1 53 LEU HA 1 56 ARG QB 4.740 . 4.790 3.360 2.746 4.366 . 0 0 "[ . 1 . ]" 1 1586 1 53 LEU HA 1 56 ARG QG 4.350 . 4.390 2.819 1.902 3.939 . 0 0 "[ . 1 . ]" 1 1587 1 53 LEU HA 1 56 ARG QD 4.570 . 4.620 2.975 1.798 4.624 0.004 9 0 "[ . 1 . ]" 1 1588 1 53 LEU QD 1 56 ARG QB 4.950 . 5.000 3.791 2.991 4.619 . 0 0 "[ . 1 . ]" 1 1589 1 53 LEU QD 1 56 ARG QG 4.110 . 4.150 3.454 2.287 4.133 . 0 0 "[ . 1 . ]" 1 1590 1 53 LEU QD 1 56 ARG QD 4.000 . 4.040 2.836 1.975 4.046 0.006 8 0 "[ . 1 . ]" 1 1591 1 54 GLU H 1 54 GLU QG 3.390 . 3.420 2.314 1.983 2.491 . 0 0 "[ . 1 . ]" 1 1592 1 54 GLU H 1 55 LYS QB 5.340 . 5.390 4.570 4.188 4.897 . 0 0 "[ . 1 . ]" 1 1593 1 54 GLU HA 1 54 GLU QG 3.600 . 3.640 2.918 2.300 3.466 . 0 0 "[ . 1 . ]" 1 1594 1 55 LYS H 1 55 LYS QB 3.630 . 3.670 2.363 2.194 2.617 . 0 0 "[ . 1 . ]" 1 1595 1 55 LYS H 1 55 LYS QG 4.200 . 4.240 3.020 1.944 4.071 . 0 0 "[ . 1 . ]" 1 1596 1 55 LYS H 1 56 ARG QG 4.770 . 4.820 3.988 3.550 4.709 . 0 0 "[ . 1 . ]" 1 1597 1 55 LYS HA 1 55 LYS QG 3.680 . 3.720 2.568 2.310 3.039 . 0 0 "[ . 1 . ]" 1 1598 1 55 LYS HA 1 55 LYS QD 4.690 . 4.740 3.402 2.028 4.251 . 0 0 "[ . 1 . ]" 1 1599 1 55 LYS QE 1 55 LYS QG 3.310 . 3.340 2.412 2.128 2.764 . 0 0 "[ . 1 . ]" 1 1600 1 56 ARG H 1 56 ARG QB 3.410 . 3.440 2.479 2.304 2.686 . 0 0 "[ . 1 . ]" 1 1601 1 56 ARG HA 1 56 ARG QG 3.430 . 3.460 2.619 2.343 3.166 . 0 0 "[ . 1 . ]" 1 1602 1 56 ARG HA 1 56 ARG QD 4.310 . 4.350 3.719 1.994 4.286 . 0 0 "[ . 1 . ]" 1 1603 1 56 ARG QB 1 56 ARG QD 3.130 . 3.160 2.355 2.106 2.815 . 0 0 "[ . 1 . ]" 1 1604 1 57 ALA MB 1 59 PHE QB 5.250 . 5.300 3.986 2.538 5.302 0.002 2 0 "[ . 1 . ]" 1 1605 1 60 ASP H 1 60 ASP QB 3.410 . 3.440 2.599 2.207 3.359 . 0 0 "[ . 1 . ]" 1 1606 1 60 ASP QB 1 61 HIS H 3.980 . 4.020 3.055 2.197 4.027 0.007 15 0 "[ . 1 . ]" 1 1607 1 62 ILE HA 1 62 ILE QG 3.590 . 3.630 3.211 2.476 3.349 . 0 0 "[ . 1 . ]" 1 1608 1 63 ASP H 1 63 ASP QB 3.670 . 3.710 2.400 2.246 3.309 . 0 0 "[ . 1 . ]" 1 1609 1 63 ASP QB 1 66 VAL H 3.910 . 3.950 3.190 2.709 3.551 . 0 0 "[ . 1 . ]" 1 1610 1 63 ASP QB 1 66 VAL HB 3.560 . 3.600 3.063 1.808 3.479 . 0 0 "[ . 1 . ]" 1 1611 1 63 ASP QB 1 66 VAL QG 3.210 . 3.240 2.153 1.862 2.519 . 0 0 "[ . 1 . ]" 1 1612 1 65 GLY H 1 66 VAL QG 4.170 . 4.210 3.841 3.696 3.989 . 0 0 "[ . 1 . ]" 1 1613 1 66 VAL H 1 66 VAL QG 2.810 . 2.840 2.103 1.972 2.197 . 0 0 "[ . 1 . ]" 1 1614 1 66 VAL HA 1 66 VAL QG 2.840 . 2.870 2.207 2.131 2.323 . 0 0 "[ . 1 . ]" 1 1615 1 74 GLU H 1 74 GLU QG 4.170 . 4.210 4.098 4.013 4.140 . 0 0 "[ . 1 . ]" 1 1616 1 74 GLU HA 1 74 GLU QG 3.120 . 3.150 2.543 2.440 2.866 . 0 0 "[ . 1 . ]" 1 1617 1 74 GLU QG 1 75 MET H 3.100 . 3.130 3.042 2.829 3.134 0.004 2 0 "[ . 1 . ]" 1 1618 1 75 MET H 1 75 MET QB 3.150 . 3.180 2.469 2.362 2.608 . 0 0 "[ . 1 . ]" 1 1619 1 75 MET H 1 75 MET QG 3.230 . 3.260 2.309 2.115 2.571 . 0 0 "[ . 1 . ]" 1 1620 1 75 MET QB 1 76 PRO HD2 4.100 . 4.140 2.276 1.979 2.850 . 0 0 "[ . 1 . ]" 1 1621 1 75 MET QB 1 76 PRO HD3 4.620 . 4.670 3.531 3.096 4.097 . 0 0 "[ . 1 . ]" 1 1622 1 75 MET ME 1 75 MET QG 2.710 . 2.740 2.445 2.396 2.484 . 0 0 "[ . 1 . ]" 1 1623 1 75 MET QG 1 76 PRO HD2 3.970 . 4.010 3.570 3.294 3.996 . 0 0 "[ . 1 . ]" 1 1624 1 75 MET QG 1 81 ILE MD 4.360 . 4.400 4.369 4.194 4.412 0.012 4 0 "[ . 1 . ]" 1 1625 1 77 ARG HA 1 77 ARG QD 4.670 . 4.720 3.335 1.899 4.181 . 0 0 "[ . 1 . ]" 1 1626 1 77 ARG HB2 1 77 ARG QD 3.280 . 3.310 2.717 2.290 3.311 0.001 9 0 "[ . 1 . ]" 1 1627 1 77 ARG HB3 1 77 ARG QD 3.520 . 3.560 2.458 2.255 3.301 . 0 0 "[ . 1 . ]" 1 1628 1 78 GLU H 1 78 GLU QB 3.280 . 3.310 2.457 2.408 2.535 . 0 0 "[ . 1 . ]" 1 1629 1 78 GLU QB 1 79 GLU H 3.580 . 3.620 2.637 2.413 2.857 . 0 0 "[ . 1 . ]" 1 1630 1 79 GLU H 1 79 GLU QB 2.910 . 2.940 2.278 2.190 2.524 . 0 0 "[ . 1 . ]" 1 1631 1 79 GLU H 1 79 GLU QG 4.350 . 4.390 3.506 1.969 4.050 . 0 0 "[ . 1 . ]" 1 1632 1 79 GLU HA 1 79 GLU QG 3.720 . 3.760 2.725 2.466 3.430 . 0 0 "[ . 1 . ]" 1 1633 1 79 GLU HA 1 82 GLU QB 4.160 . 4.200 3.655 2.459 4.203 0.003 8 0 "[ . 1 . ]" 1 1634 1 79 GLU QB 1 80 ASP H 4.000 . 4.040 2.578 2.368 3.469 . 0 0 "[ . 1 . ]" 1 1635 1 81 ILE HA 1 84 VAL QG 3.650 . 3.690 2.094 2.018 2.215 . 0 0 "[ . 1 . ]" 1 1636 1 82 GLU H 1 82 GLU QB 3.050 . 3.080 2.430 2.132 2.615 . 0 0 "[ . 1 . ]" 1 1637 1 82 GLU H 1 82 GLU QG 3.520 . 3.860 2.667 2.003 3.887 0.027 6 0 "[ . 1 . ]" 1 1638 1 82 GLU HA 1 82 GLU QG 3.680 . 3.720 3.289 2.919 3.502 . 0 0 "[ . 1 . ]" 1 1639 1 82 GLU QB 1 83 ARG H 3.740 . 3.780 3.204 2.290 3.545 . 0 0 "[ . 1 . ]" 1 1640 1 82 GLU QG 1 83 ARG H 3.500 . 3.540 2.406 1.812 3.272 . 0 0 "[ . 1 . ]" 1 1641 1 82 GLU QG 1 83 ARG HA 3.800 . 3.840 3.337 3.027 3.766 . 0 0 "[ . 1 . ]" 1 1642 1 82 GLU QG 1 86 ARG QD 4.500 . 4.540 3.537 2.759 4.542 0.002 9 0 "[ . 1 . ]" 1 1643 1 83 ARG H 1 83 ARG QB 3.080 . 3.110 2.242 1.998 2.471 . 0 0 "[ . 1 . ]" 1 1644 1 83 ARG H 1 83 ARG QD 4.850 . 4.900 4.276 3.645 4.902 0.002 13 0 "[ . 1 . ]" 1 1645 1 83 ARG H 1 84 VAL QG 4.400 . 4.440 4.049 3.959 4.149 . 0 0 "[ . 1 . ]" 1 1646 1 83 ARG HA 1 83 ARG QG 3.520 . 3.560 2.647 2.387 3.410 . 0 0 "[ . 1 . ]" 1 1647 1 83 ARG HA 1 83 ARG QD 3.940 . 4.940 3.677 2.177 4.266 . 0 0 "[ . 1 . ]" 1 1648 1 83 ARG HA 1 84 VAL QG 5.440 . 5.490 4.926 4.896 4.959 . 0 0 "[ . 1 . ]" 1 1649 1 83 ARG QB 1 83 ARG HE 4.310 . 4.350 3.352 2.152 4.097 . 0 0 "[ . 1 . ]" 1 1650 1 83 ARG QB 1 84 VAL QG 4.860 . 4.910 3.978 3.718 4.631 . 0 0 "[ . 1 . ]" 1 1651 1 83 ARG QG 1 84 VAL H 4.380 . 4.420 3.547 2.221 4.304 . 0 0 "[ . 1 . ]" 1 1652 1 84 VAL H 1 84 VAL QG 2.810 . 2.840 2.164 2.100 2.204 . 0 0 "[ . 1 . ]" 1 1653 1 84 VAL QG 1 85 ARG H 3.140 . 3.170 1.955 1.868 2.020 . 0 0 "[ . 1 . ]" 1 1654 1 84 VAL QG 1 85 ARG HA 3.380 . 3.410 2.937 2.872 2.992 . 0 0 "[ . 1 . ]" 1 1655 1 84 VAL QG 1 85 ARG QG 3.940 . 3.980 3.657 3.425 3.988 0.008 17 0 "[ . 1 . ]" 1 1656 1 84 VAL QG 1 85 ARG QD 4.540 . 4.590 4.307 4.079 4.479 . 0 0 "[ . 1 . ]" 1 1657 1 84 VAL QG 1 86 ARG H 4.270 . 4.310 4.092 4.007 4.142 . 0 0 "[ . 1 . ]" 1 1658 1 84 VAL QG 1 87 HIS H 4.890 . 4.940 4.276 4.211 4.387 . 0 0 "[ . 1 . ]" 1 1659 1 84 VAL QG 1 87 HIS HB2 5.440 . 5.490 4.547 4.235 4.921 . 0 0 "[ . 1 . ]" 1 1660 1 84 VAL QG 1 87 HIS HB3 5.440 . 5.490 3.469 3.202 3.806 . 0 0 "[ . 1 . ]" 1 1661 1 84 VAL QG 1 88 LEU H 4.930 . 4.980 3.835 3.735 3.995 . 0 0 "[ . 1 . ]" 1 1662 1 84 VAL QG 1 88 LEU HG 4.110 . 4.150 2.831 2.550 3.117 . 0 0 "[ . 1 . ]" 1 1663 1 84 VAL QG 1 88 LEU MD2 5.170 . 5.220 2.046 1.904 2.147 . 0 0 "[ . 1 . ]" 1 1664 1 85 ARG H 1 85 ARG QG 3.770 . 3.810 2.463 2.236 2.875 . 0 0 "[ . 1 . ]" 1 1665 1 85 ARG H 1 85 ARG QD 4.990 . 5.040 3.883 3.751 4.023 . 0 0 "[ . 1 . ]" 1 1666 1 85 ARG HB2 1 85 ARG QD 3.610 . 3.650 2.610 2.320 3.062 . 0 0 "[ . 1 . ]" 1 1667 1 85 ARG QG 1 86 ARG H 3.690 . 3.730 2.116 2.006 2.210 . 0 0 "[ . 1 . ]" 1 1668 1 85 ARG QG 1 87 HIS H 4.440 . 4.480 4.299 4.209 4.379 . 0 0 "[ . 1 . ]" 1 1669 1 85 ARG QG 1 93 TRP HZ3 5.340 . 5.390 3.638 3.021 4.095 . 0 0 "[ . 1 . ]" 1 1670 1 85 ARG QG 1 93 TRP HH2 4.360 . 4.400 3.831 3.279 4.235 . 0 0 "[ . 1 . ]" 1 1671 1 86 ARG H 1 86 ARG QB 3.360 . 3.390 2.524 2.399 2.621 . 0 0 "[ . 1 . ]" 1 1672 1 86 ARG H 1 86 ARG QD 4.580 . 4.630 3.828 3.530 4.301 . 0 0 "[ . 1 . ]" 1 1673 1 86 ARG QB 1 87 HIS H 3.920 . 3.960 3.473 3.387 3.569 . 0 0 "[ . 1 . ]" 1 1674 1 88 LEU HA 1 91 GLN QB 4.670 . 4.720 3.512 3.328 3.654 . 0 0 "[ . 1 . ]" 1 1675 1 90 LEU H 1 90 LEU QD 4.000 . 4.040 3.005 2.957 3.059 . 0 0 "[ . 1 . ]" 1 1676 1 90 LEU HA 1 90 LEU QD 3.090 . 3.120 2.014 1.979 2.047 . 0 0 "[ . 1 . ]" 1 1677 1 91 GLN H 1 91 GLN QB 3.130 . 3.160 2.375 2.324 2.406 . 0 0 "[ . 1 . ]" 1 1678 1 91 GLN QB 1 91 GLN HE22 4.190 . 4.230 3.387 3.341 3.606 . 0 0 "[ . 1 . ]" 1 1679 1 91 GLN QB 1 92 GLY H 3.820 . 3.860 2.682 2.606 2.796 . 0 0 "[ . 1 . ]" 1 1680 1 92 GLY QA 1 93 TRP QB 4.250 . 4.290 3.682 3.634 3.746 . 0 0 "[ . 1 . ]" 1 1681 1 92 GLY QA 1 94 PRO HD3 4.280 . 4.320 3.414 3.079 3.737 . 0 0 "[ . 1 . ]" 1 1682 1 93 TRP HD1 1 96 ASP QB 3.830 . 3.870 1.969 1.794 2.592 0.006 1 0 "[ . 1 . ]" 1 1683 1 94 PRO QB 1 95 LEU MD1 5.340 . 5.390 3.382 2.548 4.637 . 0 0 "[ . 1 . ]" 1 1684 1 96 ASP H 1 96 ASP QB 3.010 . 3.040 2.290 2.198 2.401 . 0 0 "[ . 1 . ]" 1 1685 1 96 ASP QB 1 97 ASP H 4.130 . 4.170 2.822 2.376 3.526 . 0 0 "[ . 1 . ]" 1 1686 1 97 ASP H 1 98 PRO QD 4.890 . 4.940 3.837 3.438 4.249 . 0 0 "[ . 1 . ]" 1 1687 1 97 ASP QB 1 98 PRO QD 3.580 . 3.620 3.469 2.412 3.649 0.029 16 0 "[ . 1 . ]" 1 1688 1 98 PRO HA 1 99 ARG QB 4.570 . 4.620 4.407 4.283 4.597 . 0 0 "[ . 1 . ]" 1 1689 1 98 PRO HA 1 99 ARG QG 4.970 . 5.020 4.039 3.730 4.501 . 0 0 "[ . 1 . ]" 1 1690 1 98 PRO QB 1 99 ARG H 3.430 . 3.460 3.017 2.323 3.428 . 0 0 "[ . 1 . ]" 1 1691 1 98 PRO QB 1 99 ARG QB 4.920 . 4.970 4.768 4.449 4.982 0.012 15 0 "[ . 1 . ]" 1 1692 1 98 PRO QG 1 99 ARG H 4.640 . 4.690 4.509 4.170 4.709 0.019 10 0 "[ . 1 . ]" 1 1693 1 99 ARG H 1 99 ARG QB 3.060 . 3.090 2.490 2.226 2.749 . 0 0 "[ . 1 . ]" 1 1694 1 99 ARG H 1 99 ARG QG 3.450 . 3.480 2.406 1.886 3.119 . 0 0 "[ . 1 . ]" 1 1695 1 99 ARG HA 1 99 ARG QD 4.640 . 4.690 3.352 1.790 4.484 0.010 13 0 "[ . 1 . ]" 1 1696 1 99 ARG QB 1 99 ARG QD 3.160 . 3.190 2.293 2.134 2.461 . 0 0 "[ . 1 . ]" 1 1697 1 99 ARG QG 1 100 ASP H 4.570 . 4.620 3.267 1.776 4.388 0.024 7 0 "[ . 1 . ]" 1 1698 1 100 ASP H 1 100 ASP QB 2.950 . 2.980 2.620 2.257 2.970 . 0 0 "[ . 1 . ]" 1 1699 1 100 ASP QB 1 101 GLY H 4.130 . 4.170 3.434 2.482 3.954 . 0 0 "[ . 1 . ]" 1 1700 1 100 ASP QB 1 102 GLU H 5.340 . 5.390 4.330 3.452 5.400 0.010 14 0 "[ . 1 . ]" 1 1701 1 101 GLY QA 1 102 GLU H 2.930 . 2.960 2.560 2.150 2.903 . 0 0 "[ . 1 . ]" 1 1702 1 102 GLU H 1 102 GLU QB 3.150 . 3.180 2.502 2.223 3.109 . 0 0 "[ . 1 . ]" 1 1703 1 102 GLU H 1 102 GLU QG 4.600 . 4.650 3.378 1.884 4.491 . 0 0 "[ . 1 . ]" 1 1704 1 102 GLU HA 1 102 GLU QG 3.740 . 3.780 2.875 2.369 3.533 . 0 0 "[ . 1 . ]" 1 1705 1 102 GLU QB 1 103 GLU H 3.680 . 3.720 3.558 3.001 3.738 0.018 5 0 "[ . 1 . ]" 1 1706 1 103 GLU H 1 103 GLU QB 3.100 . 3.130 2.535 2.253 3.070 . 0 0 "[ . 1 . ]" 1 1707 1 103 GLU H 1 103 GLU QG 4.630 . 4.680 3.043 2.049 4.197 . 0 0 "[ . 1 . ]" 1 1708 1 103 GLU HA 1 104 PRO QD 3.500 . 3.540 2.161 1.788 3.568 0.028 7 0 "[ . 1 . ]" 1 1709 1 103 GLU QB 1 104 PRO QD 3.330 . 3.360 2.728 1.762 3.384 0.038 14 0 "[ . 1 . ]" 1 1710 1 103 GLU QG 1 104 PRO QD 3.670 . 3.710 3.174 1.987 3.733 0.023 2 0 "[ . 1 . ]" 1 1711 1 106 GLY H 1 107 GLU QB 5.070 . 5.120 4.675 3.601 5.137 0.017 14 0 "[ . 1 . ]" 1 1712 1 107 GLU H 1 107 GLU QB 3.330 . 3.360 2.791 2.231 3.369 0.009 16 0 "[ . 1 . ]" 1 1713 1 107 GLU H 1 107 GLU QG 4.700 . 4.750 3.262 1.819 4.251 . 0 0 "[ . 1 . ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 64 _Distance_constraint_stats_list.Viol_count 225 _Distance_constraint_stats_list.Viol_total 31.318 _Distance_constraint_stats_list.Viol_max 0.029 _Distance_constraint_stats_list.Viol_rms 0.0042 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0017 _Distance_constraint_stats_list.Viol_average_violations_only 0.0082 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 9 PHE 0.050 0.014 15 0 "[ . 1 . ]" 1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 11 ALA 0.049 0.015 10 0 "[ . 1 . ]" 1 12 LYS 0.000 0.000 . 0 "[ . 1 . ]" 1 13 ILE 0.055 0.014 15 0 "[ . 1 . ]" 1 14 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 15 ALA 0.054 0.015 10 0 "[ . 1 . ]" 1 16 TRP 0.031 0.007 14 0 "[ . 1 . ]" 1 17 LEU 0.016 0.008 10 0 "[ . 1 . ]" 1 18 ASN 0.000 0.000 . 0 "[ . 1 . ]" 1 19 ALA 0.005 0.003 3 0 "[ . 1 . ]" 1 21 TYR 0.011 0.008 10 0 "[ . 1 . ]" 1 26 PRO 0.047 0.012 16 0 "[ . 1 . ]" 1 27 GLY 0.341 0.029 8 0 "[ . 1 . ]" 1 29 ASP 0.098 0.011 3 0 "[ . 1 . ]" 1 30 ARG 0.082 0.012 16 0 "[ . 1 . ]" 1 31 VAL 0.444 0.029 8 0 "[ . 1 . ]" 1 32 PRO 0.000 0.000 . 0 "[ . 1 . ]" 1 33 LEU 0.115 0.011 3 0 "[ . 1 . ]" 1 34 LEU 0.041 0.011 12 0 "[ . 1 . ]" 1 35 ALA 0.103 0.012 11 0 "[ . 1 . ]" 1 36 LEU 0.000 0.000 . 0 "[ . 1 . ]" 1 37 LEU 0.016 0.011 9 0 "[ . 1 . ]" 1 38 THR 0.005 0.005 1 0 "[ . 1 . ]" 1 42 THR 0.137 0.014 5 0 "[ . 1 . ]" 1 43 ASN 0.176 0.024 10 0 "[ . 1 . ]" 1 44 ASP 0.000 0.000 . 0 "[ . 1 . ]" 1 45 GLU 0.318 0.019 4 0 "[ . 1 . ]" 1 46 ILE 0.013 0.004 4 0 "[ . 1 . ]" 1 47 LYS 0.176 0.024 10 0 "[ . 1 . ]" 1 48 ALA 0.000 0.000 . 0 "[ . 1 . ]" 1 49 ILE 0.194 0.019 4 0 "[ . 1 . ]" 1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]" 1 77 ARG 0.016 0.008 7 0 "[ . 1 . ]" 1 78 GLU 0.028 0.014 14 0 "[ . 1 . ]" 1 80 ASP 0.009 0.005 16 0 "[ . 1 . ]" 1 81 ILE 0.156 0.019 14 0 "[ . 1 . ]" 1 82 GLU 0.128 0.015 12 0 "[ . 1 . ]" 1 84 VAL 0.013 0.005 16 0 "[ . 1 . ]" 1 85 ARG 0.147 0.019 14 0 "[ . 1 . ]" 1 86 ARG 0.100 0.015 12 0 "[ . 1 . ]" 1 88 LEU 0.266 0.020 9 0 "[ . 1 . ]" 1 89 ALA 0.007 0.004 9 0 "[ . 1 . ]" 1 92 GLY 0.231 0.020 9 0 "[ . 1 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 9 PHE O 1 13 ILE H 2.000 . 2.000 1.984 1.906 2.014 0.014 15 0 "[ . 1 . ]" 2 2 1 9 PHE O 1 13 ILE N 3.000 2.700 3.000 2.896 2.813 2.953 . 0 0 "[ . 1 . ]" 2 3 1 10 LEU O 1 14 ALA H 2.000 . 2.000 1.908 1.832 1.959 . 0 0 "[ . 1 . ]" 2 4 1 10 LEU O 1 14 ALA N 3.000 2.700 3.000 2.868 2.801 2.926 . 0 0 "[ . 1 . ]" 2 5 1 11 ALA O 1 15 ALA H 2.000 . 2.000 1.987 1.911 2.015 0.015 10 0 "[ . 1 . ]" 2 6 1 11 ALA O 1 15 ALA N 3.000 2.700 3.000 2.940 2.850 2.985 . 0 0 "[ . 1 . ]" 2 7 1 12 LYS O 1 16 TRP H 2.000 . 2.000 1.870 1.801 1.975 . 0 0 "[ . 1 . ]" 2 8 1 12 LYS O 1 16 TRP N 3.000 2.700 3.000 2.798 2.703 2.930 . 0 0 "[ . 1 . ]" 2 9 1 13 ILE O 1 17 LEU H 2.000 . 2.000 1.896 1.841 2.005 0.005 13 0 "[ . 1 . ]" 2 10 1 13 ILE O 1 17 LEU N 3.000 2.700 3.000 2.844 2.778 2.956 . 0 0 "[ . 1 . ]" 2 11 1 14 ALA O 1 18 ASN H 2.000 . 2.000 1.901 1.849 2.000 . 0 0 "[ . 1 . ]" 2 12 1 14 ALA O 1 18 ASN N 3.000 2.700 3.000 2.830 2.755 2.931 . 0 0 "[ . 1 . ]" 2 13 1 15 ALA O 1 19 ALA H 2.000 . 2.000 1.947 1.885 2.003 0.003 3 0 "[ . 1 . ]" 2 14 1 15 ALA O 1 19 ALA N 3.000 2.700 3.000 2.787 2.705 2.872 . 0 0 "[ . 1 . ]" 2 15 1 17 LEU O 1 21 TYR H 2.000 . 2.000 1.930 1.861 2.008 0.008 10 0 "[ . 1 . ]" 2 16 1 17 LEU O 1 21 TYR N 3.000 2.700 3.000 2.765 2.710 2.823 . 0 0 "[ . 1 . ]" 2 17 1 26 PRO O 1 30 ARG H 2.000 . 2.000 1.877 1.837 1.980 . 0 0 "[ . 1 . ]" 2 18 1 26 PRO O 1 30 ARG N 3.000 2.700 3.000 2.719 2.688 2.837 0.012 16 0 "[ . 1 . ]" 2 19 1 27 GLY O 1 31 VAL H 2.000 . 2.000 2.019 2.002 2.029 0.029 8 0 "[ . 1 . ]" 2 20 1 27 GLY O 1 31 VAL N 3.000 2.700 3.000 2.996 2.972 3.006 0.006 8 0 "[ . 1 . ]" 2 21 1 29 ASP O 1 33 LEU H 2.000 . 2.000 2.006 1.999 2.011 0.011 3 0 "[ . 1 . ]" 2 22 1 29 ASP O 1 33 LEU N 3.000 2.700 3.000 2.845 2.807 2.877 . 0 0 "[ . 1 . ]" 2 23 1 30 ARG O 1 34 LEU H 2.000 . 2.000 1.980 1.928 2.011 0.011 12 0 "[ . 1 . ]" 2 24 1 30 ARG O 1 34 LEU N 3.000 2.700 3.000 2.940 2.881 2.977 . 0 0 "[ . 1 . ]" 2 25 1 31 VAL O 1 35 ALA H 2.000 . 2.000 2.005 1.990 2.012 0.012 11 0 "[ . 1 . ]" 2 26 1 31 VAL O 1 35 ALA N 3.000 2.700 3.000 2.945 2.910 2.973 . 0 0 "[ . 1 . ]" 2 27 1 32 PRO O 1 36 LEU H 2.000 . 2.000 1.922 1.868 1.994 . 0 0 "[ . 1 . ]" 2 28 1 32 PRO O 1 36 LEU N 3.000 2.700 3.000 2.838 2.720 2.955 . 0 0 "[ . 1 . ]" 2 29 1 33 LEU O 1 37 LEU H 2.000 . 2.000 1.963 1.871 2.011 0.011 9 0 "[ . 1 . ]" 2 30 1 33 LEU O 1 37 LEU N 3.000 2.700 3.000 2.879 2.754 2.973 . 0 0 "[ . 1 . ]" 2 31 1 34 LEU O 1 38 THR H 2.000 . 2.000 1.830 1.795 1.879 0.005 1 0 "[ . 1 . ]" 2 32 1 34 LEU O 1 38 THR N 3.000 2.700 3.000 2.792 2.750 2.844 . 0 0 "[ . 1 . ]" 2 33 1 42 THR O 1 46 ILE H 2.000 . 2.000 1.967 1.903 2.004 0.004 4 0 "[ . 1 . ]" 2 34 1 42 THR O 1 46 ILE N 3.000 2.700 3.000 2.947 2.885 2.987 . 0 0 "[ . 1 . ]" 2 35 1 43 ASN O 1 47 LYS H 2.000 . 2.000 2.010 2.002 2.024 0.024 10 0 "[ . 1 . ]" 2 36 1 43 ASN O 1 47 LYS N 3.000 2.700 3.000 2.958 2.925 2.986 . 0 0 "[ . 1 . ]" 2 37 1 44 ASP O 1 48 ALA H 2.000 . 2.000 1.910 1.852 1.980 . 0 0 "[ . 1 . ]" 2 38 1 44 ASP O 1 48 ALA N 3.000 2.700 3.000 2.806 2.719 2.891 . 0 0 "[ . 1 . ]" 2 39 1 45 GLU O 1 49 ILE H 2.000 . 2.000 2.011 2.002 2.019 0.019 4 0 "[ . 1 . ]" 2 40 1 45 GLU O 1 49 ILE N 3.000 2.700 3.000 2.940 2.907 2.962 . 0 0 "[ . 1 . ]" 2 41 1 47 LYS O 1 51 GLU H 2.000 . 2.000 1.879 1.805 1.945 . 0 0 "[ . 1 . ]" 2 42 1 47 LYS O 1 51 GLU N 3.000 2.700 3.000 2.825 2.742 2.908 . 0 0 "[ . 1 . ]" 2 43 1 77 ARG O 1 81 ILE H 2.000 . 2.000 1.962 1.861 2.008 0.008 7 0 "[ . 1 . ]" 2 44 1 77 ARG O 1 81 ILE N 3.000 2.700 3.000 2.869 2.763 2.951 . 0 0 "[ . 1 . ]" 2 45 1 78 GLU O 1 82 GLU H 2.000 . 2.000 1.947 1.865 2.014 0.014 14 0 "[ . 1 . ]" 2 46 1 78 GLU O 1 82 GLU N 3.000 2.700 3.000 2.890 2.788 2.999 . 0 0 "[ . 1 . ]" 2 47 1 80 ASP O 1 84 VAL H 2.000 . 2.000 1.897 1.813 2.005 0.005 16 0 "[ . 1 . ]" 2 48 1 80 ASP O 1 84 VAL N 3.000 2.700 3.000 2.831 2.712 2.983 . 0 0 "[ . 1 . ]" 2 49 1 81 ILE O 1 85 ARG H 2.000 . 2.000 2.008 1.998 2.019 0.019 14 0 "[ . 1 . ]" 2 50 1 81 ILE O 1 85 ARG N 3.000 2.700 3.000 2.968 2.936 2.999 . 0 0 "[ . 1 . ]" 2 51 1 82 GLU O 1 86 ARG H 2.000 . 2.000 2.003 1.977 2.015 0.015 12 0 "[ . 1 . ]" 2 52 1 82 GLU O 1 86 ARG N 3.000 2.700 3.000 2.952 2.906 2.991 . 0 0 "[ . 1 . ]" 2 53 1 84 VAL O 1 88 LEU H 2.000 . 2.000 1.884 1.798 2.002 0.002 14 0 "[ . 1 . ]" 2 54 1 84 VAL O 1 88 LEU N 3.000 2.700 3.000 2.781 2.701 2.888 . 0 0 "[ . 1 . ]" 2 55 1 85 ARG O 1 89 ALA H 2.000 . 2.000 1.934 1.875 2.000 . 0 0 "[ . 1 . ]" 2 56 1 85 ARG O 1 89 ALA N 3.000 2.700 3.000 2.755 2.696 2.836 0.004 9 0 "[ . 1 . ]" 2 57 1 88 LEU O 1 92 GLY H 2.000 . 2.000 2.014 2.008 2.020 0.020 9 0 "[ . 1 . ]" 2 58 1 88 LEU O 1 92 GLY N 3.000 2.700 3.000 2.960 2.929 2.978 . 0 0 "[ . 1 . ]" 2 59 1 16 TRP HE1 1 88 LEU O 2.200 . 2.200 2.187 2.108 2.207 0.007 14 0 "[ . 1 . ]" 2 60 1 16 TRP NE1 1 88 LEU O 3.200 . 3.200 3.022 2.926 3.092 . 0 0 "[ . 1 . ]" 2 61 1 42 THR OG1 1 45 GLU H 2.200 . 2.200 2.207 2.202 2.214 0.014 5 0 "[ . 1 . ]" 2 62 1 42 THR OG1 1 45 GLU N 3.200 . 3.200 3.130 3.110 3.154 . 0 0 "[ . 1 . ]" 2 63 1 26 PRO O 1 29 ASP H 2.200 . 2.200 2.082 1.910 2.188 . 0 0 "[ . 1 . ]" 2 64 1 26 PRO O 1 29 ASP N 3.200 . 3.200 2.917 2.745 3.036 . 0 0 "[ . 1 . ]" 2 stop_ save_
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