NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
603467 | 2n39 | 25638 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n39 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 1271 _Distance_constraint_stats_list.Viol_count 3412 _Distance_constraint_stats_list.Viol_total 5886.364 _Distance_constraint_stats_list.Viol_max 1.000 _Distance_constraint_stats_list.Viol_rms 0.0482 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0116 _Distance_constraint_stats_list.Viol_average_violations_only 0.0863 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 LEU 2.550 0.571 17 2 "[ . - 1 . + 2]" 1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 LEU 1.494 0.171 15 0 "[ . 1 . 2]" 1 7 ASP 2.549 0.098 2 0 "[ . 1 . 2]" 1 8 GLN 8.904 0.752 8 3 "[ .- + 1 . * 2]" 1 9 LYS 2.754 0.548 12 1 "[ . 1 + . 2]" 1 10 THR 5.266 0.548 12 2 "[ . 1 +- . 2]" 1 11 PHE 15.685 0.752 8 3 "[ .- + 1 . * 2]" 1 12 SER 5.851 0.242 8 0 "[ . 1 . 2]" 1 13 ILE 4.085 0.569 20 1 "[ . 1 . +]" 1 14 CYS 7.463 0.543 11 9 "[* *-. *1+* .* **]" 1 15 LYS 2.519 0.102 7 0 "[ . 1 . 2]" 1 16 GLU 0.838 0.108 4 0 "[ . 1 . 2]" 1 17 ARG 2.019 0.569 20 1 "[ . 1 . +]" 1 18 MET 7.412 0.555 7 1 "[ . + 1 . 2]" 1 19 ARG 5.198 0.181 5 0 "[ . 1 . 2]" 1 20 PRO 3.417 0.090 3 0 "[ . 1 . 2]" 1 21 VAL 7.160 0.109 17 0 "[ . 1 . 2]" 1 22 LYS 4.113 0.134 2 0 "[ . 1 . 2]" 1 23 ALA 2.358 0.109 17 0 "[ . 1 . 2]" 1 24 ALA 2.462 0.094 11 0 "[ . 1 . 2]" 1 25 LEU 4.577 0.134 2 0 "[ . 1 . 2]" 1 26 LYS 6.136 0.506 12 1 "[ . 1 + . 2]" 1 27 GLN 8.690 0.506 12 1 "[ . 1 + . 2]" 1 28 LEU 4.036 0.819 5 1 "[ + 1 . 2]" 1 29 ASP 5.185 0.819 5 1 "[ + 1 . 2]" 1 30 ARG 2.264 0.284 7 0 "[ . 1 . 2]" 1 31 PRO 0.165 0.068 13 0 "[ . 1 . 2]" 1 32 GLU 2.791 0.374 10 0 "[ . 1 . 2]" 1 33 LYS 7.102 1.000 15 4 "[-* . 1 + * 2]" 1 34 GLY 1.805 0.374 10 0 "[ . 1 . 2]" 1 35 LEU 5.021 0.215 3 0 "[ . 1 . 2]" 1 36 SER 3.738 0.100 18 0 "[ . 1 . 2]" 1 37 GLU 4.525 0.384 19 0 "[ . 1 . 2]" 1 38 ARG 3.534 0.384 19 0 "[ . 1 . 2]" 1 39 GLU 4.456 0.135 11 0 "[ . 1 . 2]" 1 40 GLN 6.066 0.998 9 1 "[ . +1 . 2]" 1 41 LEU 2.165 0.558 9 1 "[ . +1 . 2]" 1 42 GLU 7.487 0.724 8 3 "[* . + 1 . -2]" 1 43 HIS 8.275 0.998 9 2 "[ . +1 . *2]" 1 44 THR 4.773 0.197 7 0 "[ . 1 . 2]" 1 45 ARG 5.315 0.446 16 0 "[ . 1 . 2]" 1 46 GLN 3.597 0.381 17 0 "[ . 1 . 2]" 1 47 CYS 0.403 0.381 17 0 "[ . 1 . 2]" 1 48 LEU 2.778 0.252 2 0 "[ . 1 . 2]" 1 49 ILE 5.850 0.252 2 0 "[ . 1 . 2]" 1 50 LYS 6.955 0.630 2 2 "[ + . 1 . -2]" 1 51 ILE 12.156 0.114 17 0 "[ . 1 . 2]" 1 52 GLY 4.086 0.101 19 0 "[ . 1 . 2]" 1 53 ASP 10.233 0.630 2 8 "[*+ *. * *1 *. * *2]" 1 54 HIS 9.489 0.623 7 8 "[*- *. + *1 *. * *2]" 1 55 ILE 7.672 0.111 7 0 "[ . 1 . 2]" 1 56 THR 7.438 0.933 16 5 "[ * . 1- * .+ * 2]" 1 57 GLU 11.421 0.933 16 8 "[** . * 1- * .+** 2]" 1 58 CYS 3.421 0.100 1 0 "[ . 1 . 2]" 1 59 LEU 9.686 0.095 14 0 "[ . 1 . 2]" 1 60 LYS 3.126 0.109 17 0 "[ . 1 . 2]" 1 61 GLU 6.844 0.106 20 0 "[ . 1 . 2]" 1 62 TYR 20.973 0.744 19 2 "[ . 1 - +2]" 1 63 THR 2.616 0.128 19 0 "[ . 1 . 2]" 1 64 ASN 2.062 0.088 7 0 "[ . 1 . 2]" 1 65 PRO 1.718 0.082 12 0 "[ . 1 . 2]" 1 66 GLU 1.356 0.104 14 0 "[ . 1 . 2]" 1 67 GLN 10.809 0.744 19 2 "[ . 1 - +2]" 1 68 ILE 9.728 0.108 1 0 "[ . 1 . 2]" 1 69 LYS 0.025 0.025 9 0 "[ . 1 . 2]" 1 70 GLN 3.523 0.516 15 1 "[ . 1 + 2]" 1 71 TRP 9.596 0.720 13 1 "[ . 1 + . 2]" 1 72 ARG 3.832 0.094 12 0 "[ . 1 . 2]" 1 73 LYS 1.509 0.086 12 0 "[ . 1 . 2]" 1 74 ASN 8.778 0.720 13 2 "[ . 1 + - 2]" 1 75 LEU 3.289 0.125 2 0 "[ . 1 . 2]" 1 76 TRP 13.036 0.792 11 1 "[ . 1+ . 2]" 1 77 ILE 2.666 0.103 7 0 "[ . 1 . 2]" 1 78 PHE 12.978 0.555 7 1 "[ . + 1 . 2]" 1 79 VAL 7.594 0.112 13 0 "[ . 1 . 2]" 1 80 SER 4.500 0.975 13 2 "[ -. 1 + . 2]" 1 81 LYS 4.340 0.097 12 0 "[ . 1 . 2]" 1 82 PHE 6.790 0.129 12 0 "[ . 1 . 2]" 1 83 THR 6.411 0.875 4 2 "[ +. 1 - . 2]" 1 84 GLU 1.216 0.123 6 0 "[ . 1 . 2]" 1 85 PHE 3.829 0.405 2 0 "[ . 1 . 2]" 1 86 ASP 1.285 0.095 10 0 "[ . 1 . 2]" 1 87 ALA 0.692 0.091 6 0 "[ . 1 . 2]" 1 88 ARG 0.066 0.066 19 0 "[ . 1 . 2]" 1 89 LYS 0.584 0.082 4 0 "[ . 1 . 2]" 1 90 LEU 15.142 0.975 13 5 "[ *. * -* + . 2]" 1 91 HIS 4.193 0.765 8 4 "[ *. + - * . 2]" 1 92 LYS 0.146 0.074 14 0 "[ . 1 . 2]" 1 93 LEU 1.192 0.128 15 0 "[ . 1 . 2]" 1 94 TYR 8.451 0.119 8 0 "[ . 1 . 2]" 1 95 LYS 0.512 0.077 12 0 "[ . 1 . 2]" 1 96 HIS 2.735 0.112 5 0 "[ . 1 . 2]" 1 97 ALA 0.989 0.112 5 0 "[ . 1 . 2]" 1 98 ILE 4.223 0.115 19 0 "[ . 1 . 2]" 1 99 LYS 3.871 0.119 12 0 "[ . 1 . 2]" 1 100 LYS 4.819 0.871 9 3 "[ . +1 - * 2]" 1 101 ARG 5.957 0.871 9 3 "[ . +1 * - 2]" 1 102 GLN 2.392 0.348 1 0 "[ . 1 . 2]" 1 103 GLU 2.457 0.674 12 1 "[ . 1 + . 2]" 1 104 SER 1.213 0.674 12 1 "[ . 1 + . 2]" 1 105 GLN 3.023 0.809 17 2 "[ . 1 - + 2]" 1 106 GLN 3.946 0.809 17 2 "[ . 1 - + 2]" 1 107 ASN 1.880 0.413 20 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 PRO QB 1 3 LEU H . . 4.170 3.014 2.135 3.990 . 0 0 "[ . 1 . 2]" 1 2 1 3 LEU H 1 3 LEU MD1 . . 3.940 3.572 2.024 4.511 0.571 17 2 "[ . - 1 . + 2]" 1 3 1 3 LEU HA 1 3 LEU MD2 . . 4.770 2.790 2.025 3.738 . 0 0 "[ . 1 . 2]" 1 4 1 3 LEU HB3 1 3 LEU MD2 . . 3.400 2.524 2.161 3.263 . 0 0 "[ . 1 . 2]" 1 5 1 5 SER HA 1 6 LEU QD . . 5.500 3.940 2.891 4.871 . 0 0 "[ . 1 . 2]" 1 6 1 5 SER QB 1 6 LEU H . . 5.100 2.995 2.041 4.060 . 0 0 "[ . 1 . 2]" 1 7 1 6 LEU H 1 6 LEU HB3 . . 4.030 3.735 3.198 4.201 0.171 15 0 "[ . 1 . 2]" 1 8 1 6 LEU H 1 11 PHE QD . . 5.500 5.147 3.969 5.598 0.098 5 0 "[ . 1 . 2]" 1 9 1 6 LEU HA 1 6 LEU QD . . 3.170 2.208 2.054 2.403 . 0 0 "[ . 1 . 2]" 1 10 1 6 LEU HA 1 6 LEU HG . . 4.080 2.901 2.511 3.464 . 0 0 "[ . 1 . 2]" 1 11 1 6 LEU HA 1 7 ASP H . . 2.820 2.224 2.103 2.516 . 0 0 "[ . 1 . 2]" 1 12 1 6 LEU HA 1 10 THR MG . . 4.520 3.090 2.455 4.258 . 0 0 "[ . 1 . 2]" 1 13 1 6 LEU HA 1 11 PHE H . . 5.350 4.664 3.926 5.420 0.070 11 0 "[ . 1 . 2]" 1 14 1 6 LEU HB2 1 11 PHE H . . 4.970 4.414 3.583 5.039 0.069 1 0 "[ . 1 . 2]" 1 15 1 6 LEU HB2 1 11 PHE QD . . 3.720 2.812 2.109 3.679 . 0 0 "[ . 1 . 2]" 1 16 1 6 LEU HB3 1 11 PHE H . . 4.190 3.099 2.517 3.372 . 0 0 "[ . 1 . 2]" 1 17 1 6 LEU HB3 1 11 PHE QD . . 3.700 3.174 2.142 3.795 0.095 15 0 "[ . 1 . 2]" 1 18 1 6 LEU QD 1 7 ASP H . . 4.130 3.790 3.342 4.087 . 0 0 "[ . 1 . 2]" 1 19 1 6 LEU QD 1 11 PHE H . . 4.540 3.991 3.435 4.282 . 0 0 "[ . 1 . 2]" 1 20 1 6 LEU QD 1 11 PHE HA . . 3.700 2.600 2.047 2.919 . 0 0 "[ . 1 . 2]" 1 21 1 6 LEU QD 1 11 PHE HB2 . . 5.050 3.601 3.360 3.875 . 0 0 "[ . 1 . 2]" 1 22 1 6 LEU QD 1 11 PHE QD . . 3.600 2.613 2.032 3.471 . 0 0 "[ . 1 . 2]" 1 23 1 6 LEU QD 1 11 PHE QE . . 4.690 3.680 2.750 4.674 . 0 0 "[ . 1 . 2]" 1 24 1 6 LEU QD 1 74 ASN HA . . 3.320 2.430 2.050 3.317 . 0 0 "[ . 1 . 2]" 1 25 1 6 LEU QD 1 74 ASN HB3 . . 4.710 2.605 2.143 4.277 . 0 0 "[ . 1 . 2]" 1 26 1 6 LEU QD 1 74 ASN QD . . 5.500 3.537 2.954 4.058 . 0 0 "[ . 1 . 2]" 1 27 1 6 LEU QD 1 77 ILE H . . 5.120 4.214 3.873 4.610 . 0 0 "[ . 1 . 2]" 1 28 1 6 LEU QD 1 77 ILE HB . . 3.660 2.711 2.288 3.208 . 0 0 "[ . 1 . 2]" 1 29 1 6 LEU QD 1 78 PHE H . . 3.930 3.031 2.669 3.420 . 0 0 "[ . 1 . 2]" 1 30 1 6 LEU QD 1 78 PHE HA . . 4.450 2.749 2.314 3.468 . 0 0 "[ . 1 . 2]" 1 31 1 6 LEU QD 1 78 PHE HB2 . . 3.780 2.300 2.062 2.738 . 0 0 "[ . 1 . 2]" 1 32 1 6 LEU QD 1 78 PHE HB3 . . 4.460 3.634 3.418 3.976 . 0 0 "[ . 1 . 2]" 1 33 1 6 LEU QD 1 78 PHE QD . . 3.660 2.610 2.249 3.512 . 0 0 "[ . 1 . 2]" 1 34 1 6 LEU QD 1 78 PHE QE . . 5.040 4.268 3.887 5.029 . 0 0 "[ . 1 . 2]" 1 35 1 6 LEU QD 1 79 VAL H . . 5.430 4.916 4.579 5.236 . 0 0 "[ . 1 . 2]" 1 36 1 7 ASP H 1 7 ASP HB2 . . 3.370 2.352 2.013 2.880 . 0 0 "[ . 1 . 2]" 1 37 1 7 ASP H 1 7 ASP HB3 . . 3.720 3.009 2.514 3.583 . 0 0 "[ . 1 . 2]" 1 38 1 7 ASP H 1 10 THR H . . 5.500 3.941 3.160 4.465 . 0 0 "[ . 1 . 2]" 1 39 1 7 ASP H 1 10 THR MG . . 4.180 3.307 2.881 3.878 . 0 0 "[ . 1 . 2]" 1 40 1 7 ASP HA 1 8 GLN H . . 3.330 2.480 2.242 2.647 . 0 0 "[ . 1 . 2]" 1 41 1 7 ASP HA 1 8 GLN QB . . 4.620 4.466 3.980 4.696 0.076 19 0 "[ . 1 . 2]" 1 42 1 7 ASP HA 1 9 LYS H . . 4.960 4.637 4.167 4.995 0.035 6 0 "[ . 1 . 2]" 1 43 1 7 ASP HB2 1 8 GLN H . . 3.880 3.823 3.178 3.957 0.077 11 0 "[ . 1 . 2]" 1 44 1 7 ASP HB2 1 9 LYS H . . 4.740 4.318 3.003 4.811 0.071 20 0 "[ . 1 . 2]" 1 45 1 7 ASP HB2 1 10 THR H . . 5.180 3.564 1.973 4.291 . 0 0 "[ . 1 . 2]" 1 46 1 7 ASP HB2 1 11 PHE H . . 5.320 4.972 3.744 5.407 0.087 3 0 "[ . 1 . 2]" 1 47 1 7 ASP HB3 1 8 GLN H . . 3.410 2.963 2.504 3.500 0.090 12 0 "[ . 1 . 2]" 1 48 1 7 ASP HB3 1 8 GLN QB . . 4.630 4.477 3.801 4.728 0.098 2 0 "[ . 1 . 2]" 1 49 1 7 ASP HB3 1 9 LYS H . . 5.060 3.036 2.257 3.912 . 0 0 "[ . 1 . 2]" 1 50 1 7 ASP HB3 1 10 THR MG . . 5.330 4.674 4.163 5.349 0.019 15 0 "[ . 1 . 2]" 1 51 1 8 GLN H 1 8 GLN QB . . 3.140 2.267 2.101 2.434 . 0 0 "[ . 1 . 2]" 1 52 1 8 GLN H 1 8 GLN QG . . 4.210 3.058 2.250 4.021 . 0 0 "[ . 1 . 2]" 1 53 1 8 GLN H 1 9 LYS H . . 4.990 2.877 2.616 3.226 . 0 0 "[ . 1 . 2]" 1 54 1 8 GLN HA 1 11 PHE HB2 . . 3.850 3.723 3.316 4.229 0.379 17 0 "[ . 1 . 2]" 1 55 1 8 GLN QB 1 11 PHE HB2 . . 5.250 5.536 5.110 6.002 0.752 8 3 "[ .- + 1 . * 2]" 1 56 1 8 GLN QG 1 9 LYS H . . 4.610 3.649 1.938 4.531 . 0 0 "[ . 1 . 2]" 1 57 1 9 LYS H 1 9 LYS QB . . 2.670 2.394 2.088 2.729 0.059 17 0 "[ . 1 . 2]" 1 58 1 9 LYS H 1 9 LYS HG2 . . 4.190 3.342 2.210 4.548 0.358 9 0 "[ . 1 . 2]" 1 59 1 9 LYS H 1 9 LYS HG3 . . 4.650 3.027 2.115 4.263 . 0 0 "[ . 1 . 2]" 1 60 1 9 LYS H 1 10 THR H . . 3.380 2.779 2.639 2.967 . 0 0 "[ . 1 . 2]" 1 61 1 9 LYS H 1 11 PHE H . . 4.730 4.319 3.939 4.500 . 0 0 "[ . 1 . 2]" 1 62 1 9 LYS HA 1 9 LYS QB . . 2.760 2.422 2.280 2.542 . 0 0 "[ . 1 . 2]" 1 63 1 9 LYS HA 1 9 LYS HG2 . . 3.140 2.649 2.232 3.185 0.045 6 0 "[ . 1 . 2]" 1 64 1 9 LYS QB 1 10 THR H . . 3.430 2.353 2.147 2.666 . 0 0 "[ . 1 . 2]" 1 65 1 9 LYS HG3 1 10 THR H . . 4.550 4.498 3.998 5.098 0.548 12 1 "[ . 1 + . 2]" 1 66 1 10 THR H 1 10 THR HB . . 2.930 2.642 2.276 2.995 0.065 3 0 "[ . 1 . 2]" 1 67 1 10 THR H 1 10 THR MG . . 4.060 3.658 3.408 3.805 . 0 0 "[ . 1 . 2]" 1 68 1 10 THR H 1 11 PHE H . . 3.550 2.903 2.622 3.026 . 0 0 "[ . 1 . 2]" 1 69 1 10 THR H 1 11 PHE HB2 . . 5.390 4.973 4.508 5.165 . 0 0 "[ . 1 . 2]" 1 70 1 10 THR H 1 11 PHE HB3 . . 5.100 5.123 4.796 5.471 0.371 16 0 "[ . 1 . 2]" 1 71 1 10 THR HA 1 10 THR MG . . 3.170 2.396 2.259 2.585 . 0 0 "[ . 1 . 2]" 1 72 1 10 THR HA 1 13 ILE MD . . 5.160 3.027 2.251 4.231 . 0 0 "[ . 1 . 2]" 1 73 1 10 THR HB 1 11 PHE H . . 3.300 2.546 2.364 2.939 . 0 0 "[ . 1 . 2]" 1 74 1 10 THR MG 1 11 PHE H . . 4.270 3.655 3.315 4.035 . 0 0 "[ . 1 . 2]" 1 75 1 10 THR MG 1 13 ILE H . . 5.060 4.886 4.694 5.105 0.045 18 0 "[ . 1 . 2]" 1 76 1 10 THR MG 1 71 TRP HH2 . . 3.730 2.856 2.521 3.158 . 0 0 "[ . 1 . 2]" 1 77 1 10 THR MG 1 71 TRP HZ2 . . 4.320 4.155 3.696 4.412 0.092 12 0 "[ . 1 . 2]" 1 78 1 10 THR MG 1 71 TRP HZ3 . . 3.880 2.476 2.178 2.912 . 0 0 "[ . 1 . 2]" 1 79 1 10 THR MG 1 74 ASN HA . . 4.930 4.373 4.011 4.906 . 0 0 "[ . 1 . 2]" 1 80 1 10 THR MG 1 74 ASN HB2 . . 3.700 3.655 3.302 4.244 0.544 13 1 "[ . 1 + . 2]" 1 81 1 10 THR MG 1 74 ASN HB3 . . 4.320 2.799 2.372 3.798 . 0 0 "[ . 1 . 2]" 1 82 1 10 THR MG 1 74 ASN QD . . 3.990 2.230 1.850 2.455 . 0 0 "[ . 1 . 2]" 1 83 1 11 PHE H 1 11 PHE HB2 . . 3.220 2.238 2.076 2.334 . 0 0 "[ . 1 . 2]" 1 84 1 11 PHE H 1 11 PHE HB3 . . 3.180 2.596 2.385 2.837 . 0 0 "[ . 1 . 2]" 1 85 1 11 PHE H 1 11 PHE QD . . 4.250 4.090 3.977 4.161 . 0 0 "[ . 1 . 2]" 1 86 1 11 PHE H 1 12 SER H . . 3.460 2.763 2.606 2.890 . 0 0 "[ . 1 . 2]" 1 87 1 11 PHE H 1 13 ILE H . . 4.990 4.206 3.942 4.466 . 0 0 "[ . 1 . 2]" 1 88 1 11 PHE H 1 13 ILE MD . . 5.500 5.350 5.002 5.603 0.103 3 0 "[ . 1 . 2]" 1 89 1 11 PHE HA 1 11 PHE QD . . 3.510 2.634 2.217 3.028 . 0 0 "[ . 1 . 2]" 1 90 1 11 PHE HA 1 78 PHE QD . . 4.680 3.959 3.374 4.425 . 0 0 "[ . 1 . 2]" 1 91 1 11 PHE HB2 1 12 SER H . . 3.520 3.722 3.584 3.762 0.242 8 0 "[ . 1 . 2]" 1 92 1 11 PHE HB3 1 12 SER H . . 3.680 2.544 2.317 2.852 . 0 0 "[ . 1 . 2]" 1 93 1 11 PHE QD 1 12 SER H . . 4.200 3.915 3.273 4.309 0.109 4 0 "[ . 1 . 2]" 1 94 1 11 PHE QD 1 78 PHE QD . . 3.800 3.460 2.365 3.898 0.098 13 0 "[ . 1 . 2]" 1 95 1 12 SER H 1 12 SER HA . . 2.850 2.862 2.803 2.915 0.065 8 0 "[ . 1 . 2]" 1 96 1 12 SER H 1 12 SER QB . . 3.640 2.355 2.096 2.596 . 0 0 "[ . 1 . 2]" 1 97 1 12 SER H 1 13 ILE H . . 3.190 2.709 2.456 2.883 . 0 0 "[ . 1 . 2]" 1 98 1 12 SER H 1 13 ILE HA . . 5.410 5.322 5.089 5.474 0.064 18 0 "[ . 1 . 2]" 1 99 1 12 SER H 1 13 ILE HB . . 4.830 4.834 4.614 4.915 0.085 11 0 "[ . 1 . 2]" 1 100 1 12 SER QB 1 13 ILE H . . 3.870 2.632 2.323 3.128 . 0 0 "[ . 1 . 2]" 1 101 1 13 ILE H 1 13 ILE HB . . 3.140 2.435 2.286 2.697 . 0 0 "[ . 1 . 2]" 1 102 1 13 ILE H 1 13 ILE MD . . 3.870 3.068 2.347 3.574 . 0 0 "[ . 1 . 2]" 1 103 1 13 ILE H 1 13 ILE QG . . 3.620 2.365 2.206 2.717 . 0 0 "[ . 1 . 2]" 1 104 1 13 ILE H 1 13 ILE MG . . 4.050 3.775 3.714 3.827 . 0 0 "[ . 1 . 2]" 1 105 1 13 ILE H 1 14 CYS H . . 3.340 2.840 2.487 3.003 . 0 0 "[ . 1 . 2]" 1 106 1 13 ILE H 1 16 GLU H . . 5.060 4.908 4.683 5.133 0.073 4 0 "[ . 1 . 2]" 1 107 1 13 ILE H 1 71 TRP HH2 . . 4.560 4.300 3.998 4.573 0.013 11 0 "[ . 1 . 2]" 1 108 1 13 ILE HA 1 13 ILE QG . . 3.370 2.629 2.303 3.280 . 0 0 "[ . 1 . 2]" 1 109 1 13 ILE HA 1 13 ILE MG . . 3.170 2.475 2.315 2.600 . 0 0 "[ . 1 . 2]" 1 110 1 13 ILE HA 1 16 GLU H . . 3.610 3.389 3.027 3.661 0.051 11 0 "[ . 1 . 2]" 1 111 1 13 ILE HA 1 16 GLU QB . . 3.230 2.760 2.340 3.161 . 0 0 "[ . 1 . 2]" 1 112 1 13 ILE HA 1 16 GLU QG . . 4.010 3.438 2.391 4.099 0.089 20 0 "[ . 1 . 2]" 1 113 1 13 ILE HA 1 71 TRP HH2 . . 5.040 5.086 4.978 5.116 0.076 10 0 "[ . 1 . 2]" 1 114 1 13 ILE HB 1 13 ILE QG . . 2.800 2.372 2.131 2.491 . 0 0 "[ . 1 . 2]" 1 115 1 13 ILE HB 1 14 CYS H . . 3.800 2.698 2.401 2.893 . 0 0 "[ . 1 . 2]" 1 116 1 13 ILE HB 1 71 TRP HH2 . . 3.490 2.250 2.115 2.398 . 0 0 "[ . 1 . 2]" 1 117 1 13 ILE MG 1 14 CYS H . . 4.000 3.364 3.160 3.626 . 0 0 "[ . 1 . 2]" 1 118 1 13 ILE MG 1 16 GLU H . . 5.500 4.600 4.310 4.886 . 0 0 "[ . 1 . 2]" 1 119 1 13 ILE MG 1 16 GLU QG . . 5.350 4.635 3.816 5.220 . 0 0 "[ . 1 . 2]" 1 120 1 13 ILE MG 1 17 ARG HD2 . . 4.030 3.221 2.201 4.599 0.569 20 1 "[ . 1 . +]" 1 121 1 13 ILE MG 1 17 ARG HD3 . . 4.490 3.344 2.030 4.560 0.070 12 0 "[ . 1 . 2]" 1 122 1 13 ILE MG 1 71 TRP HE3 . . 5.450 4.294 3.878 4.668 . 0 0 "[ . 1 . 2]" 1 123 1 13 ILE MG 1 71 TRP HH2 . . 3.550 2.584 2.375 2.813 . 0 0 "[ . 1 . 2]" 1 124 1 13 ILE MG 1 71 TRP HZ2 . . 4.110 3.231 2.892 3.710 . 0 0 "[ . 1 . 2]" 1 125 1 13 ILE MG 1 71 TRP HZ3 . . 3.740 3.171 2.743 3.479 . 0 0 "[ . 1 . 2]" 1 126 1 14 CYS H 1 14 CYS HB2 . . 3.160 3.272 2.234 3.703 0.543 11 9 "[* *-. *1+* .* **]" 1 127 1 14 CYS H 1 15 LYS H . . 4.110 2.871 2.661 3.041 . 0 0 "[ . 1 . 2]" 1 128 1 14 CYS H 1 71 TRP HH2 . . 4.420 4.375 4.080 4.494 0.074 11 0 "[ . 1 . 2]" 1 129 1 14 CYS HA 1 16 GLU H . . 4.630 4.299 3.937 4.581 . 0 0 "[ . 1 . 2]" 1 130 1 14 CYS HA 1 18 MET H . . 4.200 3.824 3.371 4.220 0.020 10 0 "[ . 1 . 2]" 1 131 1 14 CYS HA 1 71 TRP HZ3 . . 4.770 4.386 3.709 4.827 0.057 11 0 "[ . 1 . 2]" 1 132 1 14 CYS HA 1 78 PHE QD . . 4.810 4.676 4.459 4.876 0.066 5 0 "[ . 1 . 2]" 1 133 1 14 CYS HB2 1 15 LYS H . . 4.200 3.247 2.396 3.628 . 0 0 "[ . 1 . 2]" 1 134 1 14 CYS HB2 1 78 PHE QD . . 3.650 2.805 2.509 3.254 . 0 0 "[ . 1 . 2]" 1 135 1 14 CYS HB2 1 78 PHE QE . . 4.970 3.512 3.118 4.147 . 0 0 "[ . 1 . 2]" 1 136 1 14 CYS HB3 1 78 PHE QD . . 3.900 3.451 2.589 3.758 . 0 0 "[ . 1 . 2]" 1 137 1 15 LYS H 1 15 LYS QB . . 3.370 2.374 1.970 3.104 . 0 0 "[ . 1 . 2]" 1 138 1 15 LYS H 1 16 GLU H . . 3.520 2.879 2.702 3.059 . 0 0 "[ . 1 . 2]" 1 139 1 15 LYS H 1 78 PHE QD . . 4.800 4.815 4.502 4.893 0.093 1 0 "[ . 1 . 2]" 1 140 1 15 LYS H 1 78 PHE QE . . 4.350 4.081 3.647 4.419 0.069 1 0 "[ . 1 . 2]" 1 141 1 15 LYS H 1 78 PHE HZ . . 4.910 4.390 3.767 4.940 0.030 10 0 "[ . 1 . 2]" 1 142 1 15 LYS HA 1 15 LYS QG . . 3.240 2.384 2.108 3.061 . 0 0 "[ . 1 . 2]" 1 143 1 15 LYS HA 1 17 ARG H . . 4.470 4.489 4.297 4.550 0.080 13 0 "[ . 1 . 2]" 1 144 1 15 LYS HA 1 18 MET H . . 4.580 3.671 3.149 4.075 . 0 0 "[ . 1 . 2]" 1 145 1 15 LYS HA 1 78 PHE QE . . 3.490 3.317 2.855 3.592 0.102 7 0 "[ . 1 . 2]" 1 146 1 15 LYS QB 1 16 GLU H . . 3.170 2.773 2.382 3.258 0.088 9 0 "[ . 1 . 2]" 1 147 1 15 LYS QG 1 78 PHE QE . . 3.690 2.853 2.327 3.647 . 0 0 "[ . 1 . 2]" 1 148 1 15 LYS QG 1 78 PHE HZ . . 4.000 2.563 2.066 3.678 . 0 0 "[ . 1 . 2]" 1 149 1 16 GLU H 1 16 GLU QB . . 2.850 2.309 1.943 2.649 . 0 0 "[ . 1 . 2]" 1 150 1 16 GLU H 1 16 GLU QG . . 3.440 2.706 2.029 3.548 0.108 4 0 "[ . 1 . 2]" 1 151 1 16 GLU H 1 17 ARG H . . 3.480 2.610 2.218 2.898 . 0 0 "[ . 1 . 2]" 1 152 1 16 GLU HA 1 16 GLU QG . . 3.540 2.660 2.193 3.268 . 0 0 "[ . 1 . 2]" 1 153 1 16 GLU QB 1 17 ARG H . . 3.380 2.709 2.507 2.906 . 0 0 "[ . 1 . 2]" 1 154 1 16 GLU QG 1 17 ARG H . . 4.670 4.149 3.020 4.517 . 0 0 "[ . 1 . 2]" 1 155 1 17 ARG H 1 18 MET H . . 3.820 2.733 2.539 2.957 . 0 0 "[ . 1 . 2]" 1 156 1 17 ARG H 1 19 ARG H . . 5.450 5.023 4.637 5.490 0.040 16 0 "[ . 1 . 2]" 1 157 1 17 ARG HA 1 17 ARG HD3 . . 4.420 3.573 2.189 4.200 . 0 0 "[ . 1 . 2]" 1 158 1 17 ARG HA 1 19 ARG H . . 4.190 3.836 3.552 4.238 0.048 14 0 "[ . 1 . 2]" 1 159 1 17 ARG HB2 1 17 ARG HD3 . . 4.030 3.193 2.306 3.851 . 0 0 "[ . 1 . 2]" 1 160 1 17 ARG HB2 1 18 MET H . . 3.350 2.954 2.368 3.424 0.074 13 0 "[ . 1 . 2]" 1 161 1 18 MET H 1 19 ARG H . . 3.730 3.499 3.165 3.778 0.048 16 0 "[ . 1 . 2]" 1 162 1 18 MET H 1 25 LEU QD . . 5.200 4.767 4.460 5.001 . 0 0 "[ . 1 . 2]" 1 163 1 18 MET H 1 78 PHE QE . . 5.500 4.219 3.742 4.732 . 0 0 "[ . 1 . 2]" 1 164 1 18 MET HA 1 18 MET ME . . 3.890 2.542 2.028 3.686 . 0 0 "[ . 1 . 2]" 1 165 1 18 MET HA 1 18 MET HG2 . . 3.970 3.445 3.089 3.637 . 0 0 "[ . 1 . 2]" 1 166 1 18 MET HA 1 18 MET HG3 . . 4.170 2.897 2.242 3.770 . 0 0 "[ . 1 . 2]" 1 167 1 18 MET HA 1 20 PRO QD . . 4.720 3.419 2.945 3.708 . 0 0 "[ . 1 . 2]" 1 168 1 18 MET HA 1 21 VAL H . . 4.950 3.596 3.314 4.028 . 0 0 "[ . 1 . 2]" 1 169 1 18 MET HA 1 21 VAL MG2 . . 5.500 2.441 2.122 2.889 . 0 0 "[ . 1 . 2]" 1 170 1 18 MET HA 1 25 LEU QD . . 4.660 3.927 3.466 4.653 . 0 0 "[ . 1 . 2]" 1 171 1 18 MET HA 1 78 PHE QE . . 5.180 4.933 4.759 5.230 0.050 5 0 "[ . 1 . 2]" 1 172 1 18 MET HB2 1 18 MET ME . . 4.060 3.712 2.857 4.111 0.051 16 0 "[ . 1 . 2]" 1 173 1 18 MET HB2 1 19 ARG H . . 4.640 4.487 4.185 4.673 0.033 7 0 "[ . 1 . 2]" 1 174 1 18 MET HB2 1 25 LEU QD . . 4.810 3.110 2.538 3.518 . 0 0 "[ . 1 . 2]" 1 175 1 18 MET HB2 1 78 PHE QD . . 3.700 3.754 3.655 3.802 0.102 9 0 "[ . 1 . 2]" 1 176 1 18 MET HB2 1 78 PHE QE . . 4.180 2.280 2.122 2.658 . 0 0 "[ . 1 . 2]" 1 177 1 18 MET HB3 1 19 ARG H . . 4.320 4.381 4.303 4.501 0.181 5 0 "[ . 1 . 2]" 1 178 1 18 MET HB3 1 78 PHE QD . . 4.750 4.486 3.768 4.832 0.082 3 0 "[ . 1 . 2]" 1 179 1 18 MET HB3 1 78 PHE QE . . 3.970 2.977 2.621 3.448 . 0 0 "[ . 1 . 2]" 1 180 1 18 MET ME 1 21 VAL H . . 4.870 4.625 4.021 4.964 0.094 16 0 "[ . 1 . 2]" 1 181 1 18 MET ME 1 51 ILE HA . . 4.150 3.870 2.877 4.253 0.103 20 0 "[ . 1 . 2]" 1 182 1 18 MET ME 1 55 ILE H . . 4.610 3.780 3.227 4.444 . 0 0 "[ . 1 . 2]" 1 183 1 18 MET ME 1 55 ILE MD . . 3.620 2.724 2.261 3.157 . 0 0 "[ . 1 . 2]" 1 184 1 18 MET ME 1 55 ILE HG12 . . 2.940 2.277 1.986 2.742 . 0 0 "[ . 1 . 2]" 1 185 1 18 MET ME 1 78 PHE QD . . 3.870 3.909 3.459 4.000 0.130 20 0 "[ . 1 . 2]" 1 186 1 18 MET HG2 1 78 PHE QD . . 5.000 2.946 2.254 3.852 . 0 0 "[ . 1 . 2]" 1 187 1 18 MET HG2 1 78 PHE QE . . 4.320 2.703 2.134 3.943 . 0 0 "[ . 1 . 2]" 1 188 1 18 MET HG3 1 78 PHE QD . . 4.410 3.471 2.059 4.965 0.555 7 1 "[ . + 1 . 2]" 1 189 1 18 MET HG3 1 78 PHE QE . . 4.590 3.322 2.109 4.273 . 0 0 "[ . 1 . 2]" 1 190 1 19 ARG H 1 19 ARG HB2 . . 3.120 2.317 2.138 2.491 . 0 0 "[ . 1 . 2]" 1 191 1 19 ARG H 1 20 PRO HB2 . . 5.500 5.578 5.559 5.590 0.090 3 0 "[ . 1 . 2]" 1 192 1 19 ARG H 1 20 PRO HB3 . . 5.210 5.288 5.265 5.298 0.088 20 0 "[ . 1 . 2]" 1 193 1 19 ARG H 1 20 PRO QD . . 3.980 1.706 1.673 1.771 . 0 0 "[ . 1 . 2]" 1 194 1 19 ARG HA 1 21 VAL H . . 4.580 4.434 3.947 4.659 0.079 15 0 "[ . 1 . 2]" 1 195 1 19 ARG HB2 1 20 PRO QD . . 3.280 2.291 2.104 2.582 . 0 0 "[ . 1 . 2]" 1 196 1 20 PRO HA 1 22 LYS H . . 5.110 4.018 3.762 4.366 . 0 0 "[ . 1 . 2]" 1 197 1 20 PRO HB2 1 21 VAL H . . 3.660 3.371 2.997 3.732 0.072 20 0 "[ . 1 . 2]" 1 198 1 20 PRO HB3 1 21 VAL H . . 4.600 4.224 3.996 4.504 . 0 0 "[ . 1 . 2]" 1 199 1 20 PRO QD 1 21 VAL H . . 4.580 3.081 2.785 3.405 . 0 0 "[ . 1 . 2]" 1 200 1 21 VAL H 1 21 VAL MG1 . . 3.240 2.726 2.367 3.332 0.092 20 0 "[ . 1 . 2]" 1 201 1 21 VAL H 1 21 VAL MG2 . . 3.650 1.969 1.833 2.165 . 0 0 "[ . 1 . 2]" 1 202 1 21 VAL H 1 22 LYS H . . 3.170 2.800 2.429 3.027 . 0 0 "[ . 1 . 2]" 1 203 1 21 VAL HA 1 21 VAL HB . . 2.920 2.523 2.400 2.632 . 0 0 "[ . 1 . 2]" 1 204 1 21 VAL HA 1 21 VAL MG1 . . 3.540 2.246 2.128 2.331 . 0 0 "[ . 1 . 2]" 1 205 1 21 VAL HA 1 22 LYS H . . 3.520 3.154 2.914 3.311 . 0 0 "[ . 1 . 2]" 1 206 1 21 VAL HA 1 23 ALA H . . 4.330 3.897 3.570 4.295 . 0 0 "[ . 1 . 2]" 1 207 1 21 VAL HA 1 23 ALA MB . . 4.660 4.402 4.155 4.769 0.109 17 0 "[ . 1 . 2]" 1 208 1 21 VAL HA 1 24 ALA H . . 4.060 3.257 2.918 3.525 . 0 0 "[ . 1 . 2]" 1 209 1 21 VAL HA 1 24 ALA MB . . 3.900 3.067 2.555 3.333 . 0 0 "[ . 1 . 2]" 1 210 1 21 VAL HA 1 25 LEU H . . 4.900 4.383 4.041 4.654 . 0 0 "[ . 1 . 2]" 1 211 1 21 VAL HB 1 22 LYS H . . 4.500 4.498 4.414 4.561 0.061 6 0 "[ . 1 . 2]" 1 212 1 21 VAL HB 1 22 LYS HA . . 4.940 4.964 4.838 5.022 0.082 9 0 "[ . 1 . 2]" 1 213 1 21 VAL HB 1 24 ALA H . . 4.370 4.023 3.795 4.360 . 0 0 "[ . 1 . 2]" 1 214 1 21 VAL HB 1 24 ALA MB . . 3.350 2.403 2.050 2.854 . 0 0 "[ . 1 . 2]" 1 215 1 21 VAL HB 1 25 LEU H . . 5.020 3.594 3.251 3.840 . 0 0 "[ . 1 . 2]" 1 216 1 21 VAL HB 1 51 ILE H . . 4.570 4.573 4.428 4.646 0.076 14 0 "[ . 1 . 2]" 1 217 1 21 VAL HB 1 51 ILE HA . . 4.020 3.085 2.809 3.374 . 0 0 "[ . 1 . 2]" 1 218 1 21 VAL HB 1 51 ILE MD . . 4.370 4.006 3.649 4.356 . 0 0 "[ . 1 . 2]" 1 219 1 21 VAL MG1 1 22 LYS H . . 4.410 4.461 4.415 4.504 0.094 7 0 "[ . 1 . 2]" 1 220 1 21 VAL MG1 1 51 ILE H . . 3.890 3.719 3.263 3.948 0.058 13 0 "[ . 1 . 2]" 1 221 1 21 VAL MG1 1 51 ILE HA . . 3.200 2.272 2.080 2.401 . 0 0 "[ . 1 . 2]" 1 222 1 21 VAL MG1 1 52 GLY H . . 5.070 5.120 4.988 5.164 0.094 7 0 "[ . 1 . 2]" 1 223 1 21 VAL MG1 1 53 ASP H . . 5.460 5.167 4.897 5.373 . 0 0 "[ . 1 . 2]" 1 224 1 21 VAL MG1 1 54 HIS H . . 3.870 3.652 3.357 3.959 0.089 20 0 "[ . 1 . 2]" 1 225 1 21 VAL MG1 1 54 HIS HB2 . . 3.250 2.430 2.119 3.249 . 0 0 "[ . 1 . 2]" 1 226 1 21 VAL MG1 1 54 HIS HB3 . . 4.300 3.238 2.430 4.354 0.054 20 0 "[ . 1 . 2]" 1 227 1 21 VAL MG2 1 22 LYS H . . 3.840 3.632 3.414 3.892 0.052 18 0 "[ . 1 . 2]" 1 228 1 21 VAL MG2 1 24 ALA MB . . 4.420 3.811 3.423 4.198 . 0 0 "[ . 1 . 2]" 1 229 1 21 VAL MG2 1 51 ILE H . . 5.500 4.941 4.601 5.211 . 0 0 "[ . 1 . 2]" 1 230 1 21 VAL MG2 1 51 ILE HA . . 3.630 2.609 2.266 2.937 . 0 0 "[ . 1 . 2]" 1 231 1 21 VAL MG2 1 54 HIS H . . 4.700 4.687 4.142 4.785 0.085 18 0 "[ . 1 . 2]" 1 232 1 21 VAL MG2 1 54 HIS HB2 . . 3.550 2.993 2.470 3.625 0.075 1 0 "[ . 1 . 2]" 1 233 1 21 VAL MG2 1 54 HIS HB3 . . 3.520 3.212 2.707 3.618 0.098 9 0 "[ . 1 . 2]" 1 234 1 22 LYS H 1 22 LYS QB . . 3.250 2.195 2.049 2.469 . 0 0 "[ . 1 . 2]" 1 235 1 22 LYS H 1 22 LYS QG . . 3.770 3.245 2.113 3.873 0.103 6 0 "[ . 1 . 2]" 1 236 1 22 LYS H 1 23 ALA H . . 4.320 2.968 2.576 3.166 . 0 0 "[ . 1 . 2]" 1 237 1 22 LYS HA 1 22 LYS QG . . 3.780 2.259 2.140 2.519 . 0 0 "[ . 1 . 2]" 1 238 1 22 LYS HA 1 23 ALA MB . . 5.500 5.079 5.033 5.125 . 0 0 "[ . 1 . 2]" 1 239 1 22 LYS HA 1 24 ALA H . . 4.440 4.474 4.251 4.519 0.079 1 0 "[ . 1 . 2]" 1 240 1 22 LYS HA 1 25 LEU H . . 3.670 3.520 3.202 3.739 0.069 17 0 "[ . 1 . 2]" 1 241 1 22 LYS HA 1 25 LEU QD . . 3.300 2.437 2.121 2.995 . 0 0 "[ . 1 . 2]" 1 242 1 22 LYS QG 1 25 LEU QD . . 3.200 2.942 2.430 3.334 0.134 2 0 "[ . 1 . 2]" 1 243 1 23 ALA H 1 23 ALA MB . . 3.330 2.277 2.233 2.364 . 0 0 "[ . 1 . 2]" 1 244 1 23 ALA H 1 24 ALA H . . 3.750 2.756 2.551 2.933 . 0 0 "[ . 1 . 2]" 1 245 1 23 ALA H 1 25 LEU H . . 5.500 4.317 4.060 4.620 . 0 0 "[ . 1 . 2]" 1 246 1 23 ALA HA 1 27 GLN H . . 4.700 4.019 3.825 4.171 . 0 0 "[ . 1 . 2]" 1 247 1 23 ALA MB 1 24 ALA H . . 3.410 2.524 2.265 2.808 . 0 0 "[ . 1 . 2]" 1 248 1 23 ALA MB 1 27 GLN H . . 4.410 4.451 4.274 4.516 0.106 13 0 "[ . 1 . 2]" 1 249 1 23 ALA MB 1 27 GLN HE21 . . 5.340 3.807 2.671 4.238 . 0 0 "[ . 1 . 2]" 1 250 1 23 ALA MB 1 27 GLN HE22 . . 5.370 5.030 2.788 5.465 0.095 9 0 "[ . 1 . 2]" 1 251 1 23 ALA MB 1 27 GLN HG3 . . 5.410 3.742 2.848 5.504 0.094 18 0 "[ . 1 . 2]" 1 252 1 24 ALA H 1 24 ALA MB . . 2.950 2.239 2.182 2.284 . 0 0 "[ . 1 . 2]" 1 253 1 24 ALA H 1 25 LEU H . . 3.290 2.730 2.604 2.838 . 0 0 "[ . 1 . 2]" 1 254 1 24 ALA H 1 25 LEU HA . . 5.320 5.343 5.256 5.400 0.080 18 0 "[ . 1 . 2]" 1 255 1 24 ALA H 1 26 LYS H . . 5.080 4.256 3.977 4.531 . 0 0 "[ . 1 . 2]" 1 256 1 24 ALA HA 1 27 GLN QB . . 3.250 2.475 2.137 2.928 . 0 0 "[ . 1 . 2]" 1 257 1 24 ALA MB 1 25 LEU H . . 3.260 2.521 2.284 2.727 . 0 0 "[ . 1 . 2]" 1 258 1 24 ALA MB 1 25 LEU HA . . 4.080 3.935 3.803 4.062 . 0 0 "[ . 1 . 2]" 1 259 1 24 ALA MB 1 27 GLN H . . 5.080 4.619 4.473 4.850 . 0 0 "[ . 1 . 2]" 1 260 1 24 ALA MB 1 27 GLN QB . . 4.900 3.892 3.650 4.258 . 0 0 "[ . 1 . 2]" 1 261 1 24 ALA MB 1 47 CYS HA . . 3.650 2.507 2.137 2.891 . 0 0 "[ . 1 . 2]" 1 262 1 24 ALA MB 1 47 CYS QB . . 4.060 2.639 2.082 3.776 . 0 0 "[ . 1 . 2]" 1 263 1 24 ALA MB 1 51 ILE H . . 4.790 3.669 3.359 3.903 . 0 0 "[ . 1 . 2]" 1 264 1 24 ALA MB 1 51 ILE HA . . 4.090 4.106 3.913 4.184 0.094 11 0 "[ . 1 . 2]" 1 265 1 24 ALA MB 1 51 ILE MD . . 3.700 2.332 2.081 2.864 . 0 0 "[ . 1 . 2]" 1 266 1 25 LEU H 1 25 LEU HB2 . . 3.420 2.758 2.084 3.486 0.066 8 0 "[ . 1 . 2]" 1 267 1 25 LEU H 1 25 LEU HB3 . . 3.820 2.775 2.123 3.695 . 0 0 "[ . 1 . 2]" 1 268 1 25 LEU H 1 25 LEU QD . . 3.470 3.297 2.247 3.600 0.130 15 0 "[ . 1 . 2]" 1 269 1 25 LEU H 1 27 GLN H . . 4.850 4.184 4.094 4.313 . 0 0 "[ . 1 . 2]" 1 270 1 25 LEU H 1 27 GLN QB . . 5.500 4.920 4.350 5.127 . 0 0 "[ . 1 . 2]" 1 271 1 25 LEU HA 1 25 LEU QD . . 3.120 2.634 2.100 3.240 0.120 19 0 "[ . 1 . 2]" 1 272 1 25 LEU HA 1 27 GLN H . . 5.090 4.498 4.114 4.781 . 0 0 "[ . 1 . 2]" 1 273 1 25 LEU HA 1 28 LEU H . . 4.210 3.650 3.229 4.129 . 0 0 "[ . 1 . 2]" 1 274 1 25 LEU HA 1 51 ILE MD . . 3.500 2.518 1.954 3.113 . 0 0 "[ . 1 . 2]" 1 275 1 25 LEU HB2 1 26 LYS H . . 4.200 3.462 2.339 4.260 0.060 16 0 "[ . 1 . 2]" 1 276 1 25 LEU HB3 1 25 LEU QD . . 3.170 2.146 2.079 2.191 . 0 0 "[ . 1 . 2]" 1 277 1 25 LEU HB3 1 26 LYS H . . 3.680 3.186 2.303 3.757 0.077 19 0 "[ . 1 . 2]" 1 278 1 25 LEU QD 1 26 LYS H . . 4.690 3.568 3.019 4.113 . 0 0 "[ . 1 . 2]" 1 279 1 25 LEU QD 1 78 PHE QD . . 3.740 3.393 3.115 3.796 0.056 1 0 "[ . 1 . 2]" 1 280 1 25 LEU QD 1 78 PHE QE . . 3.380 2.555 2.267 2.887 . 0 0 "[ . 1 . 2]" 1 281 1 25 LEU QD 1 78 PHE HZ . . 3.890 3.647 3.030 3.986 0.096 10 0 "[ . 1 . 2]" 1 282 1 25 LEU QD 1 79 VAL HA . . 3.270 2.556 2.008 3.033 . 0 0 "[ . 1 . 2]" 1 283 1 25 LEU QD 1 79 VAL HB . . 4.780 4.339 4.042 4.874 0.094 1 0 "[ . 1 . 2]" 1 284 1 25 LEU QD 1 79 VAL MG2 . . 3.040 2.308 2.000 2.673 . 0 0 "[ . 1 . 2]" 1 285 1 25 LEU QD 1 82 PHE H . . 4.360 4.033 3.577 4.475 0.115 2 0 "[ . 1 . 2]" 1 286 1 25 LEU QD 1 82 PHE HB2 . . 4.500 2.495 2.048 3.064 . 0 0 "[ . 1 . 2]" 1 287 1 25 LEU QD 1 82 PHE QD . . 3.500 2.873 2.437 3.629 0.129 12 0 "[ . 1 . 2]" 1 288 1 26 LYS H 1 26 LYS HB2 . . 3.510 2.404 2.129 2.726 . 0 0 "[ . 1 . 2]" 1 289 1 26 LYS H 1 26 LYS HB3 . . 3.390 3.024 2.350 3.593 0.203 12 0 "[ . 1 . 2]" 1 290 1 26 LYS H 1 27 GLN H . . 3.180 2.708 2.539 2.851 . 0 0 "[ . 1 . 2]" 1 291 1 26 LYS H 1 27 GLN QB . . 4.770 4.604 3.922 4.805 0.035 19 0 "[ . 1 . 2]" 1 292 1 26 LYS H 1 29 ASP H . . 5.500 5.161 4.699 5.564 0.064 20 0 "[ . 1 . 2]" 1 293 1 26 LYS HA 1 27 GLN H . . 3.490 3.550 3.482 3.572 0.082 6 0 "[ . 1 . 2]" 1 294 1 26 LYS HA 1 29 ASP HB3 . . 5.470 2.930 2.137 3.673 . 0 0 "[ . 1 . 2]" 1 295 1 26 LYS HA 1 82 PHE QE . . 5.050 5.019 3.701 5.145 0.095 1 0 "[ . 1 . 2]" 1 296 1 26 LYS HB3 1 27 GLN H . . 3.200 3.166 2.584 3.706 0.506 12 1 "[ . 1 + . 2]" 1 297 1 27 GLN H 1 27 GLN QB . . 2.780 2.333 1.756 2.516 . 0 0 "[ . 1 . 2]" 1 298 1 27 GLN H 1 27 GLN HG2 . . 3.870 2.942 2.347 3.953 0.083 18 0 "[ . 1 . 2]" 1 299 1 27 GLN H 1 27 GLN HG3 . . 3.630 3.270 2.469 3.732 0.102 18 0 "[ . 1 . 2]" 1 300 1 27 GLN H 1 28 LEU QD . . 5.500 4.310 3.848 4.714 . 0 0 "[ . 1 . 2]" 1 301 1 27 GLN H 1 29 ASP H . . 5.270 4.215 3.895 4.512 . 0 0 "[ . 1 . 2]" 1 302 1 27 GLN HA 1 27 GLN HG3 . . 3.530 3.466 2.421 3.869 0.339 14 0 "[ . 1 . 2]" 1 303 1 27 GLN HA 1 29 ASP H . . 5.500 4.006 3.356 4.603 . 0 0 "[ . 1 . 2]" 1 304 1 27 GLN HA 1 30 ARG H . . 4.240 3.659 2.861 4.293 0.053 12 0 "[ . 1 . 2]" 1 305 1 27 GLN QB 1 27 GLN HE22 . . 4.990 4.122 3.420 4.444 . 0 0 "[ . 1 . 2]" 1 306 1 27 GLN QB 1 28 LEU H . . 3.870 3.011 2.558 3.464 . 0 0 "[ . 1 . 2]" 1 307 1 27 GLN QB 1 28 LEU QD . . 2.980 2.941 2.579 3.074 0.094 16 0 "[ . 1 . 2]" 1 308 1 28 LEU H 1 28 LEU HA . . 2.870 2.913 2.842 2.946 0.076 11 0 "[ . 1 . 2]" 1 309 1 28 LEU H 1 28 LEU HB2 . . 2.860 2.189 2.072 2.455 . 0 0 "[ . 1 . 2]" 1 310 1 28 LEU H 1 28 LEU HB3 . . 3.450 3.414 3.291 3.517 0.067 11 0 "[ . 1 . 2]" 1 311 1 28 LEU H 1 28 LEU QD . . 3.250 2.783 2.490 3.085 . 0 0 "[ . 1 . 2]" 1 312 1 28 LEU H 1 29 ASP H . . 3.810 2.477 1.901 2.831 . 0 0 "[ . 1 . 2]" 1 313 1 28 LEU H 1 29 ASP HA . . 5.400 5.135 4.621 5.440 0.040 2 0 "[ . 1 . 2]" 1 314 1 28 LEU H 1 29 ASP HB2 . . 5.450 5.031 4.038 6.269 0.819 5 1 "[ + 1 . 2]" 1 315 1 28 LEU HA 1 28 LEU QD . . 2.920 2.124 1.926 2.459 . 0 0 "[ . 1 . 2]" 1 316 1 28 LEU HB2 1 29 ASP H . . 4.280 3.501 2.997 3.945 . 0 0 "[ . 1 . 2]" 1 317 1 28 LEU HB2 1 51 ILE MD . . 3.510 3.286 2.768 3.620 0.110 11 0 "[ . 1 . 2]" 1 318 1 28 LEU HB3 1 29 ASP HA . . 4.790 4.480 3.989 4.851 0.061 13 0 "[ . 1 . 2]" 1 319 1 28 LEU QD 1 29 ASP H . . 5.500 4.181 4.095 4.383 . 0 0 "[ . 1 . 2]" 1 320 1 28 LEU QD 1 44 THR HA . . 4.310 3.152 2.402 3.959 . 0 0 "[ . 1 . 2]" 1 321 1 28 LEU QD 1 44 THR MG . . 3.560 2.626 1.968 3.585 0.025 16 0 "[ . 1 . 2]" 1 322 1 28 LEU QD 1 47 CYS QB . . 4.280 2.174 1.923 2.726 . 0 0 "[ . 1 . 2]" 1 323 1 29 ASP H 1 29 ASP HB2 . . 3.210 2.928 2.182 3.522 0.312 7 0 "[ . 1 . 2]" 1 324 1 29 ASP H 1 29 ASP HB3 . . 3.450 2.414 2.119 2.718 . 0 0 "[ . 1 . 2]" 1 325 1 29 ASP H 1 30 ARG H . . 3.400 2.452 1.805 2.993 . 0 0 "[ . 1 . 2]" 1 326 1 29 ASP HA 1 30 ARG H . . 3.570 3.561 3.461 3.633 0.063 4 0 "[ . 1 . 2]" 1 327 1 29 ASP HB2 1 30 ARG H . . 3.800 3.825 3.559 4.084 0.284 7 0 "[ . 1 . 2]" 1 328 1 29 ASP HB2 1 83 THR HA . . 4.420 3.512 2.272 4.486 0.066 11 0 "[ . 1 . 2]" 1 329 1 29 ASP HB3 1 30 ARG H . . 4.000 2.637 2.127 3.721 . 0 0 "[ . 1 . 2]" 1 330 1 30 ARG H 1 30 ARG QB . . 2.890 2.700 2.426 2.991 0.101 4 0 "[ . 1 . 2]" 1 331 1 30 ARG H 1 31 PRO QD . . 4.330 3.523 3.062 4.366 0.036 3 0 "[ . 1 . 2]" 1 332 1 31 PRO HA 1 32 GLU H . . 2.650 2.417 2.204 2.718 0.068 13 0 "[ . 1 . 2]" 1 333 1 31 PRO HB2 1 32 GLU H . . 3.170 2.686 1.978 3.062 . 0 0 "[ . 1 . 2]" 1 334 1 31 PRO QD 1 32 GLU H . . 5.330 4.910 4.624 5.005 . 0 0 "[ . 1 . 2]" 1 335 1 32 GLU H 1 32 GLU HB3 . . 2.980 2.761 2.193 3.315 0.335 10 0 "[ . 1 . 2]" 1 336 1 32 GLU H 1 40 GLN HE22 . . 5.210 3.936 1.790 5.286 0.076 17 0 "[ . 1 . 2]" 1 337 1 32 GLU HA 1 33 LYS H . . 3.160 2.746 2.247 3.254 0.094 11 0 "[ . 1 . 2]" 1 338 1 32 GLU QG 1 33 LYS H . . 4.070 2.744 1.763 3.827 . 0 0 "[ . 1 . 2]" 1 339 1 32 GLU QG 1 34 GLY H . . 3.420 2.391 1.736 3.450 0.030 10 0 "[ . 1 . 2]" 1 340 1 32 GLU QG 1 34 GLY HA2 . . 5.500 4.676 3.704 5.874 0.374 10 0 "[ . 1 . 2]" 1 341 1 32 GLU QG 1 35 LEU H . . 4.550 4.258 3.492 4.652 0.102 11 0 "[ . 1 . 2]" 1 342 1 32 GLU QG 1 35 LEU QD . . 3.650 2.921 2.059 3.802 0.152 12 0 "[ . 1 . 2]" 1 343 1 33 LYS H 1 33 LYS HA . . 2.830 2.713 2.221 2.922 0.092 16 0 "[ . 1 . 2]" 1 344 1 33 LYS H 1 33 LYS QB . . 3.000 2.873 2.487 3.096 0.096 14 0 "[ . 1 . 2]" 1 345 1 33 LYS H 1 33 LYS HG3 . . 3.840 3.716 2.305 4.840 1.000 15 4 "[-* . 1 + * 2]" 1 346 1 33 LYS H 1 34 GLY H . . 5.460 2.381 1.675 3.116 . 0 0 "[ . 1 . 2]" 1 347 1 33 LYS H 1 34 GLY HA3 . . 5.260 4.383 3.777 5.331 0.071 12 0 "[ . 1 . 2]" 1 348 1 33 LYS H 1 35 LEU H . . 5.500 4.668 3.991 5.267 . 0 0 "[ . 1 . 2]" 1 349 1 33 LYS H 1 35 LEU QD . . 5.500 4.594 3.460 5.453 . 0 0 "[ . 1 . 2]" 1 350 1 33 LYS HA 1 34 GLY H . . 3.130 3.025 2.446 3.215 0.085 18 0 "[ . 1 . 2]" 1 351 1 33 LYS HA 1 35 LEU H . . 4.380 3.615 3.066 3.933 . 0 0 "[ . 1 . 2]" 1 352 1 33 LYS HA 1 40 GLN HE21 . . 5.220 4.230 3.139 5.287 0.067 2 0 "[ . 1 . 2]" 1 353 1 33 LYS HA 1 40 GLN HE22 . . 5.340 3.794 2.141 5.420 0.080 18 0 "[ . 1 . 2]" 1 354 1 33 LYS QB 1 34 GLY H . . 4.670 3.887 3.401 4.109 . 0 0 "[ . 1 . 2]" 1 355 1 34 GLY H 1 35 LEU H . . 3.590 2.796 1.985 3.535 . 0 0 "[ . 1 . 2]" 1 356 1 34 GLY H 1 35 LEU HB2 . . 5.500 4.509 3.505 5.465 . 0 0 "[ . 1 . 2]" 1 357 1 34 GLY HA2 1 35 LEU H . . 3.370 3.172 2.652 3.585 0.215 3 0 "[ . 1 . 2]" 1 358 1 35 LEU H 1 35 LEU HB2 . . 2.900 2.538 2.339 2.876 . 0 0 "[ . 1 . 2]" 1 359 1 35 LEU H 1 35 LEU HB3 . . 3.970 3.634 3.376 3.845 . 0 0 "[ . 1 . 2]" 1 360 1 35 LEU H 1 35 LEU QD . . 3.720 2.992 2.014 3.627 . 0 0 "[ . 1 . 2]" 1 361 1 35 LEU H 1 36 SER H . . 4.140 3.874 2.838 4.239 0.099 12 0 "[ . 1 . 2]" 1 362 1 35 LEU H 1 40 GLN HG2 . . 5.500 4.093 3.225 5.555 0.055 12 0 "[ . 1 . 2]" 1 363 1 35 LEU HA 1 35 LEU QD . . 2.980 2.499 2.075 3.079 0.099 3 0 "[ . 1 . 2]" 1 364 1 35 LEU HA 1 35 LEU HG . . 3.480 2.812 2.352 3.496 0.016 12 0 "[ . 1 . 2]" 1 365 1 35 LEU HB2 1 36 SER H . . 3.390 2.879 1.953 3.482 0.092 9 0 "[ . 1 . 2]" 1 366 1 35 LEU HB2 1 39 GLU QG . . 4.800 4.360 2.597 4.880 0.080 15 0 "[ . 1 . 2]" 1 367 1 35 LEU HB2 1 40 GLN HE21 . . 5.500 2.634 1.784 3.382 . 0 0 "[ . 1 . 2]" 1 368 1 35 LEU HB2 1 40 GLN HE22 . . 5.500 3.967 2.986 4.757 . 0 0 "[ . 1 . 2]" 1 369 1 35 LEU HB2 1 40 GLN HG2 . . 4.070 3.006 2.217 4.131 0.061 16 0 "[ . 1 . 2]" 1 370 1 35 LEU HB3 1 36 SER H . . 3.660 2.184 1.926 2.841 . 0 0 "[ . 1 . 2]" 1 371 1 35 LEU HB3 1 40 GLN HE21 . . 5.270 3.975 3.185 4.999 . 0 0 "[ . 1 . 2]" 1 372 1 35 LEU QD 1 36 SER H . . 3.770 3.532 3.243 3.802 0.032 18 0 "[ . 1 . 2]" 1 373 1 35 LEU QD 1 39 GLU H . . 5.430 5.126 4.673 5.535 0.105 19 0 "[ . 1 . 2]" 1 374 1 35 LEU QD 1 39 GLU QB . . 3.730 2.525 2.110 3.811 0.081 19 0 "[ . 1 . 2]" 1 375 1 35 LEU QD 1 39 GLU QG . . 3.740 3.592 2.918 3.875 0.135 11 0 "[ . 1 . 2]" 1 376 1 35 LEU QD 1 40 GLN H . . 4.620 4.245 3.695 4.605 . 0 0 "[ . 1 . 2]" 1 377 1 35 LEU QD 1 40 GLN HE21 . . 5.500 2.459 1.703 4.272 . 0 0 "[ . 1 . 2]" 1 378 1 35 LEU QD 1 43 HIS H . . 5.100 4.735 3.930 5.130 0.030 19 0 "[ . 1 . 2]" 1 379 1 35 LEU QD 1 43 HIS HB3 . . 5.040 3.967 2.911 4.825 . 0 0 "[ . 1 . 2]" 1 380 1 36 SER H 1 36 SER HA . . 2.760 2.833 2.735 2.860 0.100 18 0 "[ . 1 . 2]" 1 381 1 36 SER H 1 36 SER QB . . 3.310 2.593 2.090 2.986 . 0 0 "[ . 1 . 2]" 1 382 1 36 SER H 1 37 GLU H . . 5.040 4.465 4.151 4.656 . 0 0 "[ . 1 . 2]" 1 383 1 36 SER H 1 39 GLU H . . 4.650 4.079 3.573 4.696 0.046 11 0 "[ . 1 . 2]" 1 384 1 36 SER H 1 39 GLU QB . . 4.170 2.526 2.042 4.247 0.077 19 0 "[ . 1 . 2]" 1 385 1 36 SER H 1 39 GLU QG . . 3.590 2.829 2.131 3.680 0.090 8 0 "[ . 1 . 2]" 1 386 1 36 SER HA 1 37 GLU H . . 3.180 2.540 2.361 2.853 . 0 0 "[ . 1 . 2]" 1 387 1 36 SER HA 1 37 GLU HA . . 4.680 4.349 4.134 4.633 . 0 0 "[ . 1 . 2]" 1 388 1 36 SER HA 1 38 ARG H . . 5.110 4.714 4.283 5.044 . 0 0 "[ . 1 . 2]" 1 389 1 36 SER HA 1 39 GLU H . . 5.100 4.739 4.273 5.028 . 0 0 "[ . 1 . 2]" 1 390 1 36 SER HA 1 40 GLN HG2 . . 5.280 5.102 4.573 5.359 0.079 10 0 "[ . 1 . 2]" 1 391 1 36 SER QB 1 37 GLU H . . 3.650 2.689 2.151 3.192 . 0 0 "[ . 1 . 2]" 1 392 1 36 SER QB 1 38 ARG H . . 3.910 3.243 2.723 3.837 . 0 0 "[ . 1 . 2]" 1 393 1 36 SER QB 1 39 GLU QG . . 2.960 2.071 1.926 2.955 . 0 0 "[ . 1 . 2]" 1 394 1 37 GLU H 1 37 GLU HB2 . . 3.800 2.563 2.102 3.564 . 0 0 "[ . 1 . 2]" 1 395 1 37 GLU H 1 37 GLU HB3 . . 3.390 3.190 2.454 3.661 0.271 7 0 "[ . 1 . 2]" 1 396 1 37 GLU H 1 37 GLU HG2 . . 4.270 3.468 1.877 4.513 0.243 14 0 "[ . 1 . 2]" 1 397 1 37 GLU H 1 37 GLU HG3 . . 5.370 3.232 2.281 4.539 . 0 0 "[ . 1 . 2]" 1 398 1 37 GLU H 1 38 ARG H . . 4.040 2.717 1.869 3.197 . 0 0 "[ . 1 . 2]" 1 399 1 37 GLU H 1 39 GLU H . . 5.500 3.963 3.610 4.294 . 0 0 "[ . 1 . 2]" 1 400 1 37 GLU H 1 39 GLU QG . . 4.690 4.732 4.253 4.792 0.102 7 0 "[ . 1 . 2]" 1 401 1 37 GLU HA 1 37 GLU HG2 . . 4.170 2.895 2.172 3.779 . 0 0 "[ . 1 . 2]" 1 402 1 37 GLU HB2 1 38 ARG H . . 3.540 2.964 2.341 3.924 0.384 19 0 "[ . 1 . 2]" 1 403 1 37 GLU HG2 1 38 ARG H . . 4.990 4.438 2.157 5.259 0.269 18 0 "[ . 1 . 2]" 1 404 1 38 ARG H 1 38 ARG HB2 . . 2.690 2.415 2.105 2.744 0.054 2 0 "[ . 1 . 2]" 1 405 1 38 ARG H 1 38 ARG HB3 . . 3.290 2.708 2.356 3.294 0.004 6 0 "[ . 1 . 2]" 1 406 1 38 ARG H 1 38 ARG QD . . 5.070 4.502 3.687 4.925 . 0 0 "[ . 1 . 2]" 1 407 1 38 ARG H 1 38 ARG QG . . 4.430 3.968 3.661 4.094 . 0 0 "[ . 1 . 2]" 1 408 1 38 ARG H 1 39 GLU H . . 3.640 2.518 2.221 2.770 . 0 0 "[ . 1 . 2]" 1 409 1 38 ARG H 1 39 GLU QG . . 4.040 4.035 3.656 4.129 0.089 1 0 "[ . 1 . 2]" 1 410 1 38 ARG H 1 40 GLN H . . 4.540 4.215 3.816 4.503 . 0 0 "[ . 1 . 2]" 1 411 1 38 ARG HB2 1 38 ARG QD . . 3.630 2.601 2.182 3.508 . 0 0 "[ . 1 . 2]" 1 412 1 38 ARG HB2 1 39 GLU H . . 4.070 3.869 3.399 4.132 0.062 18 0 "[ . 1 . 2]" 1 413 1 38 ARG HB3 1 39 GLU H . . 3.780 2.900 2.521 3.338 . 0 0 "[ . 1 . 2]" 1 414 1 38 ARG HB3 1 40 GLN H . . 5.160 5.221 5.147 5.247 0.087 15 0 "[ . 1 . 2]" 1 415 1 39 GLU H 1 39 GLU QB . . 3.080 2.418 2.232 2.599 . 0 0 "[ . 1 . 2]" 1 416 1 39 GLU H 1 39 GLU QG . . 2.920 2.272 1.933 2.571 . 0 0 "[ . 1 . 2]" 1 417 1 39 GLU H 1 40 GLN H . . 3.210 2.653 2.296 2.922 . 0 0 "[ . 1 . 2]" 1 418 1 39 GLU H 1 41 LEU H . . 4.900 4.197 3.767 4.720 . 0 0 "[ . 1 . 2]" 1 419 1 39 GLU HA 1 42 GLU H . . 3.710 3.488 2.864 3.782 0.072 7 0 "[ . 1 . 2]" 1 420 1 39 GLU QB 1 40 GLN H . . 3.740 2.633 2.286 3.484 . 0 0 "[ . 1 . 2]" 1 421 1 40 GLN H 1 40 GLN QB . . 2.920 2.360 2.184 2.740 . 0 0 "[ . 1 . 2]" 1 422 1 40 GLN H 1 40 GLN HE21 . . 5.080 4.042 2.642 4.443 . 0 0 "[ . 1 . 2]" 1 423 1 40 GLN H 1 40 GLN HE22 . . 5.500 5.415 4.268 5.589 0.089 20 0 "[ . 1 . 2]" 1 424 1 40 GLN H 1 40 GLN HG2 . . 3.540 2.464 1.912 2.718 . 0 0 "[ . 1 . 2]" 1 425 1 40 GLN H 1 40 GLN HG3 . . 3.750 3.564 2.886 3.811 0.061 10 0 "[ . 1 . 2]" 1 426 1 40 GLN H 1 41 LEU H . . 3.320 2.764 2.585 2.937 . 0 0 "[ . 1 . 2]" 1 427 1 40 GLN H 1 41 LEU HB2 . . 4.610 4.598 4.395 4.690 0.080 3 0 "[ . 1 . 2]" 1 428 1 40 GLN H 1 42 GLU H . . 4.650 4.377 3.905 4.715 0.065 3 0 "[ . 1 . 2]" 1 429 1 40 GLN H 1 43 HIS H . . 5.500 4.693 4.497 4.890 . 0 0 "[ . 1 . 2]" 1 430 1 40 GLN HA 1 40 GLN HE21 . . 4.900 2.750 2.016 4.031 . 0 0 "[ . 1 . 2]" 1 431 1 40 GLN HA 1 40 GLN HE22 . . 5.030 3.546 2.803 4.097 . 0 0 "[ . 1 . 2]" 1 432 1 40 GLN HA 1 40 GLN HG2 . . 3.920 2.844 2.611 3.316 . 0 0 "[ . 1 . 2]" 1 433 1 40 GLN HA 1 40 GLN HG3 . . 4.110 3.759 3.642 4.026 . 0 0 "[ . 1 . 2]" 1 434 1 40 GLN HA 1 43 HIS H . . 3.950 3.512 3.072 4.006 0.056 9 0 "[ . 1 . 2]" 1 435 1 40 GLN HA 1 43 HIS HB2 . . 3.980 2.907 2.128 4.151 0.171 9 0 "[ . 1 . 2]" 1 436 1 40 GLN HA 1 43 HIS HB3 . . 4.400 2.784 2.282 3.267 . 0 0 "[ . 1 . 2]" 1 437 1 40 GLN HA 1 44 THR H . . 4.690 4.001 3.529 4.354 . 0 0 "[ . 1 . 2]" 1 438 1 40 GLN QB 1 41 LEU H . . 3.360 2.531 2.283 3.065 . 0 0 "[ . 1 . 2]" 1 439 1 40 GLN QB 1 43 HIS HB2 . . 4.960 4.923 4.271 5.958 0.998 9 1 "[ . +1 . 2]" 1 440 1 40 GLN HE21 1 40 GLN HG2 . . 3.600 2.370 2.200 2.573 . 0 0 "[ . 1 . 2]" 1 441 1 40 GLN HG2 1 41 LEU H . . 5.120 4.529 3.905 4.847 . 0 0 "[ . 1 . 2]" 1 442 1 41 LEU H 1 41 LEU HB2 . . 2.780 2.090 1.994 2.208 . 0 0 "[ . 1 . 2]" 1 443 1 41 LEU H 1 41 LEU HB3 . . 3.210 3.005 2.618 3.296 0.086 18 0 "[ . 1 . 2]" 1 444 1 41 LEU H 1 41 LEU QD . . 4.020 3.227 2.478 3.717 . 0 0 "[ . 1 . 2]" 1 445 1 41 LEU H 1 42 GLU H . . 3.460 2.790 2.418 3.009 . 0 0 "[ . 1 . 2]" 1 446 1 41 LEU H 1 43 HIS HB2 . . 5.500 5.242 4.707 6.058 0.558 9 1 "[ . +1 . 2]" 1 447 1 41 LEU HA 1 41 LEU QD . . 2.930 2.067 1.919 2.383 . 0 0 "[ . 1 . 2]" 1 448 1 41 LEU HA 1 44 THR H . . 3.940 3.734 3.336 4.015 0.075 1 0 "[ . 1 . 2]" 1 449 1 41 LEU HB2 1 42 GLU H . . 3.780 3.386 2.856 3.862 0.082 8 0 "[ . 1 . 2]" 1 450 1 41 LEU HB3 1 42 GLU H . . 3.280 2.686 2.323 3.206 . 0 0 "[ . 1 . 2]" 1 451 1 41 LEU HB3 1 43 HIS H . . 5.130 5.013 4.686 5.215 0.085 19 0 "[ . 1 . 2]" 1 452 1 41 LEU QD 1 42 GLU H . . 4.570 3.879 3.358 4.266 . 0 0 "[ . 1 . 2]" 1 453 1 41 LEU QD 1 44 THR H . . 5.110 4.679 4.169 5.075 . 0 0 "[ . 1 . 2]" 1 454 1 42 GLU H 1 42 GLU HB2 . . 3.160 2.667 2.065 3.884 0.724 8 3 "[* . + 1 . -2]" 1 455 1 42 GLU H 1 43 HIS H . . 3.460 2.539 2.115 2.774 . 0 0 "[ . 1 . 2]" 1 456 1 42 GLU H 1 43 HIS HA . . 5.410 5.155 4.695 5.338 . 0 0 "[ . 1 . 2]" 1 457 1 42 GLU H 1 43 HIS HB2 . . 4.880 4.528 3.977 4.933 0.053 9 0 "[ . 1 . 2]" 1 458 1 42 GLU H 1 43 HIS HB3 . . 5.260 5.090 4.517 5.330 0.070 14 0 "[ . 1 . 2]" 1 459 1 42 GLU H 1 45 ARG QD . . 4.640 4.465 4.063 4.711 0.071 19 0 "[ . 1 . 2]" 1 460 1 42 GLU HA 1 42 GLU HB3 . . 2.950 2.807 2.381 3.058 0.108 13 0 "[ . 1 . 2]" 1 461 1 42 GLU HA 1 42 GLU QG . . 3.430 2.547 2.010 3.518 0.088 8 0 "[ . 1 . 2]" 1 462 1 42 GLU HA 1 45 ARG H . . 3.540 3.358 2.962 3.618 0.078 13 0 "[ . 1 . 2]" 1 463 1 42 GLU HA 1 46 GLN H . . 4.310 3.954 3.613 4.347 0.037 17 0 "[ . 1 . 2]" 1 464 1 42 GLU HB2 1 43 HIS H . . 3.700 3.655 2.884 4.322 0.622 19 1 "[ . 1 . +2]" 1 465 1 42 GLU QG 1 43 HIS H . . 4.550 3.803 2.238 4.613 0.063 18 0 "[ . 1 . 2]" 1 466 1 43 HIS H 1 43 HIS HB2 . . 3.230 2.213 2.092 2.355 . 0 0 "[ . 1 . 2]" 1 467 1 43 HIS H 1 43 HIS HB3 . . 3.130 2.880 2.575 3.096 . 0 0 "[ . 1 . 2]" 1 468 1 43 HIS H 1 44 THR H . . 3.670 2.876 2.598 3.210 . 0 0 "[ . 1 . 2]" 1 469 1 43 HIS HA 1 46 GLN H . . 4.090 3.599 3.231 3.860 . 0 0 "[ . 1 . 2]" 1 470 1 43 HIS HA 1 46 GLN HB2 . . 3.940 2.659 2.299 3.324 . 0 0 "[ . 1 . 2]" 1 471 1 43 HIS HA 1 46 GLN HB3 . . 4.530 4.076 2.175 4.593 0.063 11 0 "[ . 1 . 2]" 1 472 1 43 HIS HA 1 46 GLN HG2 . . 4.950 4.304 3.438 5.026 0.076 19 0 "[ . 1 . 2]" 1 473 1 43 HIS HA 1 46 GLN HG3 . . 4.750 3.746 2.809 4.795 0.045 17 0 "[ . 1 . 2]" 1 474 1 43 HIS HA 1 47 CYS H . . 4.480 3.914 3.668 4.188 . 0 0 "[ . 1 . 2]" 1 475 1 43 HIS HB2 1 44 THR H . . 3.600 3.650 3.347 3.797 0.197 7 0 "[ . 1 . 2]" 1 476 1 43 HIS HB3 1 44 THR H . . 3.710 2.619 2.278 3.021 . 0 0 "[ . 1 . 2]" 1 477 1 44 THR H 1 44 THR HB . . 3.120 2.659 2.482 3.037 . 0 0 "[ . 1 . 2]" 1 478 1 44 THR H 1 44 THR MG . . 3.910 3.752 3.638 3.821 . 0 0 "[ . 1 . 2]" 1 479 1 44 THR H 1 45 ARG H . . 3.540 2.804 2.669 2.911 . 0 0 "[ . 1 . 2]" 1 480 1 44 THR H 1 45 ARG QB . . 5.270 4.960 4.606 5.379 0.109 7 0 "[ . 1 . 2]" 1 481 1 44 THR H 1 45 ARG QD . . 4.110 4.138 3.931 4.205 0.095 16 0 "[ . 1 . 2]" 1 482 1 44 THR HA 1 44 THR MG . . 2.980 2.371 2.196 2.480 . 0 0 "[ . 1 . 2]" 1 483 1 44 THR HA 1 47 CYS H . . 4.020 3.598 3.341 3.800 . 0 0 "[ . 1 . 2]" 1 484 1 44 THR HA 1 47 CYS QB . . 4.070 2.603 2.460 2.764 . 0 0 "[ . 1 . 2]" 1 485 1 44 THR HB 1 45 ARG H . . 3.000 2.596 2.210 2.928 . 0 0 "[ . 1 . 2]" 1 486 1 44 THR HB 1 48 LEU H . . 5.500 5.515 5.102 5.587 0.087 4 0 "[ . 1 . 2]" 1 487 1 44 THR MG 1 45 ARG H . . 3.680 3.695 3.402 3.789 0.109 3 0 "[ . 1 . 2]" 1 488 1 44 THR MG 1 46 GLN H . . 5.500 5.395 5.273 5.550 0.050 17 0 "[ . 1 . 2]" 1 489 1 44 THR MG 1 47 CYS QB . . 5.380 3.787 3.387 4.018 . 0 0 "[ . 1 . 2]" 1 490 1 44 THR MG 1 48 LEU H . . 5.010 4.032 3.870 4.206 . 0 0 "[ . 1 . 2]" 1 491 1 45 ARG H 1 45 ARG QB . . 2.910 2.508 2.206 3.000 0.090 16 0 "[ . 1 . 2]" 1 492 1 45 ARG H 1 45 ARG QD . . 5.120 2.320 2.099 2.734 . 0 0 "[ . 1 . 2]" 1 493 1 45 ARG H 1 45 ARG HG2 . . 4.320 3.839 2.081 4.369 0.049 8 0 "[ . 1 . 2]" 1 494 1 45 ARG H 1 45 ARG HG3 . . 3.840 3.634 2.329 3.914 0.074 6 0 "[ . 1 . 2]" 1 495 1 45 ARG HA 1 45 ARG QD . . 4.570 3.236 2.524 3.994 . 0 0 "[ . 1 . 2]" 1 496 1 45 ARG HA 1 45 ARG HG2 . . 3.720 3.588 3.299 4.166 0.446 16 0 "[ . 1 . 2]" 1 497 1 45 ARG HA 1 48 LEU H . . 3.520 3.417 3.201 3.596 0.076 11 0 "[ . 1 . 2]" 1 498 1 45 ARG HA 1 49 ILE MG . . 4.720 3.808 3.402 4.192 . 0 0 "[ . 1 . 2]" 1 499 1 45 ARG QB 1 45 ARG QD . . 3.370 2.340 2.154 2.755 . 0 0 "[ . 1 . 2]" 1 500 1 45 ARG QB 1 46 GLN H . . 3.260 2.775 2.425 3.368 0.108 7 0 "[ . 1 . 2]" 1 501 1 45 ARG QD 1 46 GLN H . . 4.900 4.105 2.171 4.803 . 0 0 "[ . 1 . 2]" 1 502 1 45 ARG HG3 1 46 GLN H . . 4.910 4.700 3.487 4.990 0.080 14 0 "[ . 1 . 2]" 1 503 1 46 GLN H 1 46 GLN HB2 . . 3.020 2.354 2.027 2.588 . 0 0 "[ . 1 . 2]" 1 504 1 46 GLN H 1 46 GLN HB3 . . 3.580 3.481 1.778 3.649 0.069 7 0 "[ . 1 . 2]" 1 505 1 46 GLN H 1 46 GLN HG2 . . 3.570 2.586 2.134 3.647 0.077 17 0 "[ . 1 . 2]" 1 506 1 46 GLN H 1 46 GLN HG3 . . 3.550 3.467 2.830 3.681 0.131 17 0 "[ . 1 . 2]" 1 507 1 46 GLN H 1 47 CYS H . . 3.090 2.881 2.648 3.040 . 0 0 "[ . 1 . 2]" 1 508 1 46 GLN H 1 47 CYS QB . . 4.930 4.584 4.220 4.782 . 0 0 "[ . 1 . 2]" 1 509 1 46 GLN H 1 48 LEU H . . 4.500 4.387 4.208 4.556 0.056 16 0 "[ . 1 . 2]" 1 510 1 46 GLN HA 1 46 GLN HG2 . . 4.000 2.740 2.283 3.359 . 0 0 "[ . 1 . 2]" 1 511 1 46 GLN HA 1 49 ILE MD . . 3.530 2.741 2.383 3.153 . 0 0 "[ . 1 . 2]" 1 512 1 46 GLN HB2 1 47 CYS H . . 3.450 2.808 2.517 3.831 0.381 17 0 "[ . 1 . 2]" 1 513 1 46 GLN HB3 1 47 CYS H . . 3.750 3.477 2.436 3.772 0.022 12 0 "[ . 1 . 2]" 1 514 1 46 GLN HG2 1 47 CYS H . . 5.070 4.613 3.018 4.938 . 0 0 "[ . 1 . 2]" 1 515 1 46 GLN HG2 1 49 ILE MD . . 5.170 4.286 3.155 5.246 0.076 15 0 "[ . 1 . 2]" 1 516 1 46 GLN HG3 1 49 ILE MD . . 5.500 5.031 3.720 5.577 0.077 8 0 "[ . 1 . 2]" 1 517 1 47 CYS H 1 47 CYS QB . . 2.890 2.180 2.046 2.288 . 0 0 "[ . 1 . 2]" 1 518 1 47 CYS H 1 48 LEU H . . 3.370 2.788 2.606 2.946 . 0 0 "[ . 1 . 2]" 1 519 1 47 CYS QB 1 48 LEU H . . 3.430 2.382 2.157 2.668 . 0 0 "[ . 1 . 2]" 1 520 1 47 CYS QB 1 51 ILE MD . . 3.910 2.976 2.302 3.361 . 0 0 "[ . 1 . 2]" 1 521 1 48 LEU H 1 51 ILE MD . . 4.830 4.035 3.462 4.558 . 0 0 "[ . 1 . 2]" 1 522 1 48 LEU HA 1 51 ILE H . . 4.050 3.735 3.441 3.946 . 0 0 "[ . 1 . 2]" 1 523 1 48 LEU HA 1 51 ILE MD . . 2.950 2.528 2.156 3.025 0.075 17 0 "[ . 1 . 2]" 1 524 1 48 LEU HA 1 51 ILE MG . . 4.430 4.416 4.175 4.536 0.106 5 0 "[ . 1 . 2]" 1 525 1 48 LEU HA 1 52 GLY H . . 4.230 4.054 3.620 4.260 0.030 14 0 "[ . 1 . 2]" 1 526 1 48 LEU HB3 1 49 ILE H . . 2.870 2.638 2.337 3.122 0.252 2 0 "[ . 1 . 2]" 1 527 1 48 LEU QD 1 52 GLY H . . 5.180 3.836 3.336 4.502 . 0 0 "[ . 1 . 2]" 1 528 1 48 LEU QD 1 76 TRP HH2 . . 3.960 3.145 2.759 3.642 . 0 0 "[ . 1 . 2]" 1 529 1 48 LEU QD 1 76 TRP HZ2 . . 5.500 4.925 4.540 5.471 . 0 0 "[ . 1 . 2]" 1 530 1 48 LEU QD 1 76 TRP HZ3 . . 3.760 3.545 3.133 3.820 0.060 3 0 "[ . 1 . 2]" 1 531 1 48 LEU QD 1 94 TYR H . . 4.400 2.776 2.368 3.277 . 0 0 "[ . 1 . 2]" 1 532 1 48 LEU QD 1 94 TYR HB2 . . 4.210 2.323 2.075 2.834 . 0 0 "[ . 1 . 2]" 1 533 1 49 ILE H 1 49 ILE MD . . 3.740 3.723 3.320 3.825 0.085 7 0 "[ . 1 . 2]" 1 534 1 49 ILE H 1 49 ILE QG . . 4.450 2.210 2.092 2.355 . 0 0 "[ . 1 . 2]" 1 535 1 49 ILE H 1 49 ILE MG . . 3.600 2.315 2.215 2.599 . 0 0 "[ . 1 . 2]" 1 536 1 49 ILE H 1 50 LYS H . . 3.510 2.807 2.729 2.938 . 0 0 "[ . 1 . 2]" 1 537 1 49 ILE H 1 51 ILE H . . 4.750 4.345 4.159 4.516 . 0 0 "[ . 1 . 2]" 1 538 1 49 ILE H 1 52 GLY H . . 5.100 4.834 4.637 5.017 . 0 0 "[ . 1 . 2]" 1 539 1 49 ILE H 1 94 TYR QD . . 4.420 4.249 3.984 4.484 0.064 4 0 "[ . 1 . 2]" 1 540 1 49 ILE H 1 94 TYR QE . . 4.680 4.775 4.740 4.788 0.108 1 0 "[ . 1 . 2]" 1 541 1 49 ILE HA 1 49 ILE MG . . 3.210 2.245 2.175 2.311 . 0 0 "[ . 1 . 2]" 1 542 1 49 ILE HA 1 52 GLY H . . 5.000 3.393 3.217 3.838 . 0 0 "[ . 1 . 2]" 1 543 1 49 ILE HA 1 53 ASP H . . 4.560 3.731 3.540 3.960 . 0 0 "[ . 1 . 2]" 1 544 1 49 ILE HA 1 94 TYR QD . . 3.080 2.263 2.039 2.648 . 0 0 "[ . 1 . 2]" 1 545 1 49 ILE HA 1 94 TYR QE . . 3.030 2.024 1.973 2.094 . 0 0 "[ . 1 . 2]" 1 546 1 49 ILE HB 1 50 LYS H . . 3.890 3.912 3.693 3.966 0.076 14 0 "[ . 1 . 2]" 1 547 1 49 ILE MD 1 50 LYS H . . 5.010 3.385 2.199 4.154 . 0 0 "[ . 1 . 2]" 1 548 1 49 ILE MD 1 50 LYS HA . . 5.500 3.934 2.696 5.098 . 0 0 "[ . 1 . 2]" 1 549 1 49 ILE MD 1 50 LYS QD . . 3.790 3.294 2.134 3.903 0.113 7 0 "[ . 1 . 2]" 1 550 1 49 ILE MD 1 94 TYR QE . . 4.780 4.668 4.406 4.899 0.119 8 0 "[ . 1 . 2]" 1 551 1 49 ILE MG 1 50 LYS H . . 4.380 4.154 3.993 4.262 . 0 0 "[ . 1 . 2]" 1 552 1 49 ILE MG 1 94 TYR QD . . 3.890 2.930 2.538 3.545 . 0 0 "[ . 1 . 2]" 1 553 1 49 ILE MG 1 94 TYR QE . . 3.720 3.033 2.779 3.525 . 0 0 "[ . 1 . 2]" 1 554 1 49 ILE MG 1 97 ALA H . . 4.800 4.640 4.336 4.882 0.082 2 0 "[ . 1 . 2]" 1 555 1 49 ILE MG 1 98 ILE H . . 3.620 3.533 3.141 3.725 0.105 8 0 "[ . 1 . 2]" 1 556 1 50 LYS H 1 50 LYS HB2 . . 2.960 2.175 1.959 2.389 . 0 0 "[ . 1 . 2]" 1 557 1 50 LYS H 1 50 LYS HB3 . . 3.130 2.977 2.544 3.228 0.098 3 0 "[ . 1 . 2]" 1 558 1 50 LYS H 1 50 LYS QD . . 3.980 3.459 2.580 4.058 0.078 4 0 "[ . 1 . 2]" 1 559 1 50 LYS H 1 51 ILE H . . 3.280 2.723 2.570 2.816 . 0 0 "[ . 1 . 2]" 1 560 1 50 LYS H 1 51 ILE HA . . 5.310 5.350 5.202 5.382 0.072 20 0 "[ . 1 . 2]" 1 561 1 50 LYS H 1 52 GLY H . . 4.880 4.332 4.082 4.550 . 0 0 "[ . 1 . 2]" 1 562 1 50 LYS HA 1 51 ILE QG . . 5.150 5.172 5.008 5.239 0.089 15 0 "[ . 1 . 2]" 1 563 1 50 LYS HA 1 53 ASP H . . 4.160 3.627 3.197 3.976 . 0 0 "[ . 1 . 2]" 1 564 1 50 LYS HA 1 53 ASP HB2 . . 3.510 3.283 2.374 4.140 0.630 2 2 "[ + . 1 . -2]" 1 565 1 50 LYS HA 1 53 ASP HB3 . . 4.080 3.350 2.453 4.156 0.076 18 0 "[ . 1 . 2]" 1 566 1 50 LYS HA 1 54 HIS H . . 5.320 3.845 3.682 4.075 . 0 0 "[ . 1 . 2]" 1 567 1 50 LYS HB3 1 51 ILE H . . 3.600 2.844 2.420 3.123 . 0 0 "[ . 1 . 2]" 1 568 1 51 ILE H 1 51 ILE HB . . 2.820 2.540 2.390 2.668 . 0 0 "[ . 1 . 2]" 1 569 1 51 ILE H 1 51 ILE MD . . 3.620 3.344 3.062 3.579 . 0 0 "[ . 1 . 2]" 1 570 1 51 ILE H 1 51 ILE MG . . 3.960 3.792 3.758 3.840 . 0 0 "[ . 1 . 2]" 1 571 1 51 ILE H 1 52 GLY H . . 3.630 2.750 2.581 2.825 . 0 0 "[ . 1 . 2]" 1 572 1 51 ILE H 1 52 GLY HA3 . . 5.030 5.025 4.822 5.102 0.072 4 0 "[ . 1 . 2]" 1 573 1 51 ILE H 1 53 ASP H . . 4.980 4.158 4.016 4.298 . 0 0 "[ . 1 . 2]" 1 574 1 51 ILE H 1 94 TYR QE . . 5.500 5.487 5.058 5.576 0.076 12 0 "[ . 1 . 2]" 1 575 1 51 ILE HA 1 51 ILE QG . . 3.540 2.482 2.323 2.592 . 0 0 "[ . 1 . 2]" 1 576 1 51 ILE HA 1 51 ILE MG . . 3.360 2.397 2.250 2.524 . 0 0 "[ . 1 . 2]" 1 577 1 51 ILE HA 1 53 ASP H . . 5.160 4.517 4.299 4.740 . 0 0 "[ . 1 . 2]" 1 578 1 51 ILE HA 1 54 HIS H . . 3.730 3.706 3.627 3.796 0.066 4 0 "[ . 1 . 2]" 1 579 1 51 ILE HA 1 54 HIS HB2 . . 4.250 3.156 2.743 3.944 . 0 0 "[ . 1 . 2]" 1 580 1 51 ILE HA 1 55 ILE MD . . 5.500 4.361 3.940 4.718 . 0 0 "[ . 1 . 2]" 1 581 1 51 ILE HB 1 51 ILE MD . . 2.870 2.301 2.164 2.411 . 0 0 "[ . 1 . 2]" 1 582 1 51 ILE HB 1 52 GLY H . . 3.410 2.460 2.280 2.616 . 0 0 "[ . 1 . 2]" 1 583 1 51 ILE HB 1 52 GLY HA2 . . 4.690 4.226 3.990 4.353 . 0 0 "[ . 1 . 2]" 1 584 1 51 ILE HB 1 52 GLY HA3 . . 4.380 4.366 4.154 4.442 0.062 9 0 "[ . 1 . 2]" 1 585 1 51 ILE HB 1 76 TRP HZ3 . . 4.690 4.722 4.441 4.782 0.092 15 0 "[ . 1 . 2]" 1 586 1 51 ILE MD 1 51 ILE MG . . 3.400 2.165 2.061 2.416 . 0 0 "[ . 1 . 2]" 1 587 1 51 ILE MD 1 52 GLY H . . 4.530 4.279 4.063 4.496 . 0 0 "[ . 1 . 2]" 1 588 1 51 ILE MD 1 76 TRP HZ3 . . 5.300 4.860 4.536 5.205 . 0 0 "[ . 1 . 2]" 1 589 1 51 ILE QG 1 52 GLY H . . 4.600 4.103 3.921 4.190 . 0 0 "[ . 1 . 2]" 1 590 1 51 ILE MG 1 52 GLY H . . 4.080 3.266 3.036 3.508 . 0 0 "[ . 1 . 2]" 1 591 1 51 ILE MG 1 53 ASP H . . 5.420 4.936 4.649 5.166 . 0 0 "[ . 1 . 2]" 1 592 1 51 ILE MG 1 54 HIS H . . 4.830 4.902 4.818 4.928 0.098 4 0 "[ . 1 . 2]" 1 593 1 51 ILE MG 1 55 ILE H . . 4.050 4.088 3.952 4.142 0.092 7 0 "[ . 1 . 2]" 1 594 1 51 ILE MG 1 55 ILE MD . . 3.470 2.162 1.949 2.453 . 0 0 "[ . 1 . 2]" 1 595 1 51 ILE MG 1 76 TRP HA . . 5.480 5.042 4.490 5.328 . 0 0 "[ . 1 . 2]" 1 596 1 51 ILE MG 1 76 TRP HE3 . . 5.100 4.598 4.143 4.953 . 0 0 "[ . 1 . 2]" 1 597 1 51 ILE MG 1 76 TRP HH2 . . 4.530 4.156 3.546 4.613 0.083 6 0 "[ . 1 . 2]" 1 598 1 51 ILE MG 1 76 TRP HZ3 . . 4.200 3.648 3.155 4.148 . 0 0 "[ . 1 . 2]" 1 599 1 51 ILE MG 1 78 PHE QD . . 5.500 5.471 5.237 5.614 0.114 17 0 "[ . 1 . 2]" 1 600 1 51 ILE MG 1 79 VAL H . . 5.500 5.354 5.142 5.573 0.073 17 0 "[ . 1 . 2]" 1 601 1 51 ILE MG 1 79 VAL HB . . 4.710 3.892 3.674 4.333 . 0 0 "[ . 1 . 2]" 1 602 1 52 GLY H 1 53 ASP H . . 3.670 2.724 2.591 2.851 . 0 0 "[ . 1 . 2]" 1 603 1 52 GLY H 1 53 ASP HA . . 5.500 5.362 5.266 5.455 . 0 0 "[ . 1 . 2]" 1 604 1 52 GLY H 1 53 ASP HB2 . . 5.060 4.804 4.589 5.073 0.013 9 0 "[ . 1 . 2]" 1 605 1 52 GLY H 1 54 HIS H . . 5.040 4.400 4.267 4.581 . 0 0 "[ . 1 . 2]" 1 606 1 52 GLY H 1 55 ILE H . . 5.220 4.786 4.652 4.896 . 0 0 "[ . 1 . 2]" 1 607 1 52 GLY H 1 55 ILE HB . . 5.290 5.059 4.775 5.288 . 0 0 "[ . 1 . 2]" 1 608 1 52 GLY H 1 55 ILE MD . . 5.050 4.337 4.085 4.629 . 0 0 "[ . 1 . 2]" 1 609 1 52 GLY H 1 76 TRP HH2 . . 4.240 4.107 3.665 4.301 0.061 14 0 "[ . 1 . 2]" 1 610 1 52 GLY H 1 76 TRP HZ3 . . 5.500 5.333 4.873 5.568 0.068 12 0 "[ . 1 . 2]" 1 611 1 52 GLY H 1 94 TYR QD . . 4.270 3.631 3.338 3.936 . 0 0 "[ . 1 . 2]" 1 612 1 52 GLY H 1 94 TYR QE . . 4.200 3.771 3.275 4.042 . 0 0 "[ . 1 . 2]" 1 613 1 52 GLY HA2 1 55 ILE HB . . 5.500 2.604 2.338 2.823 . 0 0 "[ . 1 . 2]" 1 614 1 52 GLY HA2 1 55 ILE MD . . 4.610 2.509 2.261 2.768 . 0 0 "[ . 1 . 2]" 1 615 1 52 GLY HA2 1 55 ILE HG13 . . 4.040 3.745 3.315 4.103 0.063 15 0 "[ . 1 . 2]" 1 616 1 52 GLY HA2 1 76 TRP HH2 . . 4.260 3.244 2.867 3.636 . 0 0 "[ . 1 . 2]" 1 617 1 52 GLY HA2 1 76 TRP HZ2 . . 3.740 3.431 2.776 3.801 0.061 1 0 "[ . 1 . 2]" 1 618 1 52 GLY HA2 1 94 TYR QD . . 4.600 4.243 4.033 4.414 . 0 0 "[ . 1 . 2]" 1 619 1 52 GLY HA2 1 94 TYR QE . . 4.250 4.291 4.130 4.351 0.101 19 0 "[ . 1 . 2]" 1 620 1 52 GLY HA3 1 53 ASP HA . . 4.520 4.479 4.380 4.561 0.041 4 0 "[ . 1 . 2]" 1 621 1 52 GLY HA3 1 94 TYR QE . . 3.600 3.048 2.783 3.262 . 0 0 "[ . 1 . 2]" 1 622 1 53 ASP H 1 53 ASP HB2 . . 3.310 2.333 2.160 2.554 . 0 0 "[ . 1 . 2]" 1 623 1 53 ASP H 1 53 ASP HB3 . . 3.460 2.931 2.324 3.522 0.062 20 0 "[ . 1 . 2]" 1 624 1 53 ASP H 1 54 HIS H . . 3.490 2.746 2.579 2.910 . 0 0 "[ . 1 . 2]" 1 625 1 53 ASP H 1 54 HIS HA . . 5.470 5.330 5.178 5.464 . 0 0 "[ . 1 . 2]" 1 626 1 53 ASP H 1 55 ILE H . . 5.070 4.008 3.869 4.186 . 0 0 "[ . 1 . 2]" 1 627 1 53 ASP H 1 94 TYR QD . . 4.490 4.482 4.313 4.568 0.078 13 0 "[ . 1 . 2]" 1 628 1 53 ASP H 1 94 TYR QE . . 3.700 3.033 2.814 3.184 . 0 0 "[ . 1 . 2]" 1 629 1 53 ASP HA 1 55 ILE H . . 4.780 4.370 4.142 4.584 . 0 0 "[ . 1 . 2]" 1 630 1 53 ASP HA 1 94 TYR QE . . 4.370 3.910 3.696 4.188 . 0 0 "[ . 1 . 2]" 1 631 1 53 ASP HB2 1 54 HIS H . . 3.290 3.402 2.461 3.913 0.623 7 8 "[*- *. + *1 *. * *2]" 1 632 1 53 ASP HB2 1 94 TYR QE . . 4.470 3.610 2.902 4.536 0.066 20 0 "[ . 1 . 2]" 1 633 1 53 ASP HB3 1 54 HIS H . . 3.850 2.796 2.312 3.291 . 0 0 "[ . 1 . 2]" 1 634 1 53 ASP HB3 1 94 TYR QE . . 5.460 4.839 4.248 5.490 0.030 3 0 "[ . 1 . 2]" 1 635 1 54 HIS H 1 54 HIS HB2 . . 3.110 2.338 2.217 2.454 . 0 0 "[ . 1 . 2]" 1 636 1 54 HIS H 1 55 ILE H . . 3.050 2.715 2.604 2.836 . 0 0 "[ . 1 . 2]" 1 637 1 54 HIS H 1 55 ILE HB . . 5.080 4.755 4.450 4.917 . 0 0 "[ . 1 . 2]" 1 638 1 54 HIS H 1 55 ILE HG13 . . 5.500 4.686 4.489 4.835 . 0 0 "[ . 1 . 2]" 1 639 1 54 HIS HA 1 57 GLU H . . 3.640 3.344 3.122 3.567 . 0 0 "[ . 1 . 2]" 1 640 1 54 HIS HA 1 57 GLU QB . . 3.810 2.750 2.066 3.903 0.093 7 0 "[ . 1 . 2]" 1 641 1 54 HIS HA 1 58 CYS H . . 4.950 4.079 3.679 4.426 . 0 0 "[ . 1 . 2]" 1 642 1 54 HIS HB3 1 55 ILE H . . 3.920 3.545 2.597 3.849 . 0 0 "[ . 1 . 2]" 1 643 1 55 ILE H 1 55 ILE HB . . 3.370 2.346 2.222 2.418 . 0 0 "[ . 1 . 2]" 1 644 1 55 ILE H 1 55 ILE MD . . 3.970 3.633 3.407 3.750 . 0 0 "[ . 1 . 2]" 1 645 1 55 ILE H 1 55 ILE HG12 . . 3.650 3.668 3.494 3.710 0.060 18 0 "[ . 1 . 2]" 1 646 1 55 ILE H 1 55 ILE HG13 . . 3.630 2.415 2.235 2.506 . 0 0 "[ . 1 . 2]" 1 647 1 55 ILE H 1 55 ILE MG . . 3.880 3.758 3.695 3.802 . 0 0 "[ . 1 . 2]" 1 648 1 55 ILE H 1 56 THR H . . 4.110 2.753 2.572 2.968 . 0 0 "[ . 1 . 2]" 1 649 1 55 ILE H 1 59 LEU QD . . 5.300 5.091 4.829 5.222 . 0 0 "[ . 1 . 2]" 1 650 1 55 ILE HA 1 55 ILE HB . . 2.920 2.999 2.995 3.003 0.083 13 0 "[ . 1 . 2]" 1 651 1 55 ILE HA 1 55 ILE MD . . 3.850 3.820 3.764 3.862 0.012 10 0 "[ . 1 . 2]" 1 652 1 55 ILE HA 1 55 ILE HG12 . . 3.190 2.462 2.391 2.576 . 0 0 "[ . 1 . 2]" 1 653 1 55 ILE HA 1 57 GLU H . . 4.630 4.605 4.316 4.699 0.069 4 0 "[ . 1 . 2]" 1 654 1 55 ILE HA 1 59 LEU H . . 4.640 4.171 3.737 4.365 . 0 0 "[ . 1 . 2]" 1 655 1 55 ILE HA 1 59 LEU QD . . 4.390 3.635 3.108 3.967 . 0 0 "[ . 1 . 2]" 1 656 1 55 ILE HB 1 55 ILE MD . . 3.710 2.408 2.256 2.495 . 0 0 "[ . 1 . 2]" 1 657 1 55 ILE HB 1 56 THR H . . 3.610 2.590 2.471 2.782 . 0 0 "[ . 1 . 2]" 1 658 1 55 ILE HB 1 56 THR HA . . 4.420 4.472 4.392 4.496 0.076 2 0 "[ . 1 . 2]" 1 659 1 55 ILE MD 1 55 ILE MG . . 3.350 2.041 2.008 2.075 . 0 0 "[ . 1 . 2]" 1 660 1 55 ILE MD 1 56 THR H . . 4.840 4.612 4.509 4.740 . 0 0 "[ . 1 . 2]" 1 661 1 55 ILE MD 1 59 LEU QD . . 4.170 4.073 3.971 4.153 . 0 0 "[ . 1 . 2]" 1 662 1 55 ILE MD 1 75 LEU H . . 5.400 5.177 4.802 5.470 0.070 3 0 "[ . 1 . 2]" 1 663 1 55 ILE MD 1 75 LEU HA . . 5.500 4.366 4.117 4.664 . 0 0 "[ . 1 . 2]" 1 664 1 55 ILE MD 1 75 LEU HB2 . . 4.250 3.560 2.907 3.964 . 0 0 "[ . 1 . 2]" 1 665 1 55 ILE MD 1 76 TRP H . . 4.690 3.701 3.289 4.471 . 0 0 "[ . 1 . 2]" 1 666 1 55 ILE MD 1 76 TRP HA . . 4.590 2.985 2.582 3.917 . 0 0 "[ . 1 . 2]" 1 667 1 55 ILE MD 1 76 TRP HD1 . . 5.400 4.746 4.162 5.475 0.075 7 0 "[ . 1 . 2]" 1 668 1 55 ILE MD 1 76 TRP HE1 . . 5.240 4.481 3.858 5.239 . 0 0 "[ . 1 . 2]" 1 669 1 55 ILE MD 1 76 TRP HE3 . . 4.680 3.522 3.068 4.593 . 0 0 "[ . 1 . 2]" 1 670 1 55 ILE MD 1 76 TRP HH2 . . 4.840 3.843 3.301 4.405 . 0 0 "[ . 1 . 2]" 1 671 1 55 ILE MD 1 76 TRP HZ2 . . 4.360 4.010 3.475 4.471 0.111 7 0 "[ . 1 . 2]" 1 672 1 55 ILE MD 1 76 TRP HZ3 . . 4.910 3.694 3.194 4.456 . 0 0 "[ . 1 . 2]" 1 673 1 55 ILE MD 1 78 PHE QD . . 5.500 4.968 4.529 5.301 . 0 0 "[ . 1 . 2]" 1 674 1 55 ILE MD 1 79 VAL H . . 5.500 4.354 4.118 4.798 . 0 0 "[ . 1 . 2]" 1 675 1 55 ILE MD 1 79 VAL HA . . 5.500 5.262 4.771 5.572 0.072 17 0 "[ . 1 . 2]" 1 676 1 55 ILE MD 1 79 VAL HB . . 5.140 3.564 3.090 4.110 . 0 0 "[ . 1 . 2]" 1 677 1 55 ILE MD 1 79 VAL MG2 . . 3.650 2.164 1.964 2.497 . 0 0 "[ . 1 . 2]" 1 678 1 55 ILE HG12 1 56 THR H . . 5.170 5.073 4.989 5.156 . 0 0 "[ . 1 . 2]" 1 679 1 55 ILE HG13 1 56 THR H . . 5.190 4.501 4.455 4.558 . 0 0 "[ . 1 . 2]" 1 680 1 55 ILE MG 1 56 THR H . . 4.020 3.132 2.832 3.432 . 0 0 "[ . 1 . 2]" 1 681 1 55 ILE MG 1 56 THR HA . . 3.730 3.199 2.925 3.483 . 0 0 "[ . 1 . 2]" 1 682 1 55 ILE MG 1 58 CYS HB2 . . 5.120 4.155 3.485 4.622 . 0 0 "[ . 1 . 2]" 1 683 1 55 ILE MG 1 59 LEU H . . 5.210 4.098 3.652 4.323 . 0 0 "[ . 1 . 2]" 1 684 1 55 ILE MG 1 59 LEU QD . . 3.360 1.882 1.846 1.928 . 0 0 "[ . 1 . 2]" 1 685 1 55 ILE MG 1 75 LEU H . . 5.180 4.398 4.168 4.634 . 0 0 "[ . 1 . 2]" 1 686 1 55 ILE MG 1 75 LEU HA . . 4.560 4.643 4.575 4.664 0.104 5 0 "[ . 1 . 2]" 1 687 1 55 ILE MG 1 75 LEU HB3 . . 2.730 2.484 2.284 2.804 0.074 5 0 "[ . 1 . 2]" 1 688 1 55 ILE MG 1 76 TRP HE1 . . 4.420 3.555 2.681 4.496 0.076 7 0 "[ . 1 . 2]" 1 689 1 55 ILE MG 1 76 TRP HZ2 . . 4.970 4.263 3.833 4.859 . 0 0 "[ . 1 . 2]" 1 690 1 56 THR H 1 56 THR HB . . 3.020 2.593 2.388 2.812 . 0 0 "[ . 1 . 2]" 1 691 1 56 THR H 1 56 THR MG . . 3.900 3.752 3.706 3.797 . 0 0 "[ . 1 . 2]" 1 692 1 56 THR H 1 57 GLU H . . 3.610 2.817 2.637 2.987 . 0 0 "[ . 1 . 2]" 1 693 1 56 THR H 1 57 GLU QB . . 5.500 4.761 4.457 5.111 . 0 0 "[ . 1 . 2]" 1 694 1 56 THR H 1 57 GLU HG2 . . 5.350 5.168 4.434 6.283 0.933 16 5 "[ * . 1- * .+ * 2]" 1 695 1 56 THR HA 1 56 THR MG . . 3.150 2.367 2.215 2.492 . 0 0 "[ . 1 . 2]" 1 696 1 56 THR HA 1 58 CYS H . . 4.700 4.353 4.015 4.735 0.035 17 0 "[ . 1 . 2]" 1 697 1 56 THR HA 1 59 LEU H . . 3.840 3.493 3.106 3.764 . 0 0 "[ . 1 . 2]" 1 698 1 56 THR HA 1 59 LEU HB2 . . 3.340 2.851 2.432 3.221 . 0 0 "[ . 1 . 2]" 1 699 1 56 THR HB 1 57 GLU H . . 3.270 2.717 2.465 3.040 . 0 0 "[ . 1 . 2]" 1 700 1 56 THR HB 1 58 CYS H . . 5.230 5.134 4.840 5.291 0.061 9 0 "[ . 1 . 2]" 1 701 1 56 THR MG 1 57 GLU H . . 3.940 3.638 3.282 3.867 . 0 0 "[ . 1 . 2]" 1 702 1 56 THR MG 1 57 GLU HA . . 4.320 3.780 3.410 4.100 . 0 0 "[ . 1 . 2]" 1 703 1 56 THR MG 1 57 GLU HG2 . . 5.500 4.652 3.291 6.287 0.787 11 1 "[ . 1+ . 2]" 1 704 1 57 GLU H 1 57 GLU QB . . 3.200 2.345 2.163 2.569 . 0 0 "[ . 1 . 2]" 1 705 1 57 GLU H 1 57 GLU HG2 . . 3.520 2.825 2.173 3.724 0.204 16 0 "[ . 1 . 2]" 1 706 1 57 GLU H 1 57 GLU HG3 . . 3.960 3.171 2.157 3.988 0.028 19 0 "[ . 1 . 2]" 1 707 1 57 GLU H 1 58 CYS H . . 3.310 2.728 2.574 2.826 . 0 0 "[ . 1 . 2]" 1 708 1 57 GLU H 1 58 CYS HB2 . . 4.660 4.661 4.498 4.733 0.073 20 0 "[ . 1 . 2]" 1 709 1 57 GLU H 1 59 LEU QD . . 5.250 4.826 4.484 5.108 . 0 0 "[ . 1 . 2]" 1 710 1 57 GLU H 1 60 LYS QD . . 4.580 4.254 3.829 4.665 0.085 15 0 "[ . 1 . 2]" 1 711 1 57 GLU HA 1 57 GLU HG2 . . 3.400 3.113 2.445 4.172 0.772 11 4 "[* . - 1+ . * 2]" 1 712 1 57 GLU HA 1 60 LYS H . . 3.750 3.414 2.836 3.815 0.065 5 0 "[ . 1 . 2]" 1 713 1 57 GLU HA 1 60 LYS QD . . 3.500 2.412 1.885 3.581 0.081 15 0 "[ . 1 . 2]" 1 714 1 57 GLU HA 1 60 LYS QG . . 5.140 3.482 1.932 4.690 . 0 0 "[ . 1 . 2]" 1 715 1 57 GLU QB 1 58 CYS H . . 3.430 2.965 2.376 3.530 0.100 1 0 "[ . 1 . 2]" 1 716 1 58 CYS H 1 58 CYS HB2 . . 3.260 2.238 2.064 2.370 . 0 0 "[ . 1 . 2]" 1 717 1 58 CYS H 1 58 CYS HB3 . . 3.540 3.516 3.374 3.600 0.060 7 0 "[ . 1 . 2]" 1 718 1 58 CYS H 1 59 LEU H . . 3.680 2.583 2.263 2.922 . 0 0 "[ . 1 . 2]" 1 719 1 58 CYS H 1 59 LEU QD . . 5.360 4.261 3.628 4.732 . 0 0 "[ . 1 . 2]" 1 720 1 58 CYS H 1 60 LYS H . . 4.790 4.040 3.687 4.284 . 0 0 "[ . 1 . 2]" 1 721 1 58 CYS H 1 60 LYS QD . . 5.220 4.977 4.431 5.307 0.087 15 0 "[ . 1 . 2]" 1 722 1 58 CYS HB2 1 59 LEU H . . 3.880 2.635 2.209 3.005 . 0 0 "[ . 1 . 2]" 1 723 1 58 CYS HB2 1 60 LYS H . . 5.420 5.097 4.881 5.413 . 0 0 "[ . 1 . 2]" 1 724 1 58 CYS HB3 1 59 LEU H . . 3.150 3.220 3.120 3.241 0.091 14 0 "[ . 1 . 2]" 1 725 1 59 LEU H 1 59 LEU HB2 . . 2.720 2.582 2.420 2.776 0.056 11 0 "[ . 1 . 2]" 1 726 1 59 LEU H 1 59 LEU QD . . 3.510 2.761 2.163 3.143 . 0 0 "[ . 1 . 2]" 1 727 1 59 LEU H 1 60 LYS H . . 3.520 2.789 2.561 3.013 . 0 0 "[ . 1 . 2]" 1 728 1 59 LEU H 1 61 GLU H . . 4.220 4.149 3.955 4.283 0.063 19 0 "[ . 1 . 2]" 1 729 1 59 LEU H 1 62 TYR H . . 5.500 5.568 5.502 5.595 0.095 14 0 "[ . 1 . 2]" 1 730 1 59 LEU H 1 62 TYR QE . . 4.940 4.777 4.344 5.020 0.080 4 0 "[ . 1 . 2]" 1 731 1 59 LEU HA 1 59 LEU QD . . 3.750 2.200 2.109 2.291 . 0 0 "[ . 1 . 2]" 1 732 1 59 LEU HA 1 61 GLU H . . 4.190 3.599 3.429 3.905 . 0 0 "[ . 1 . 2]" 1 733 1 59 LEU HA 1 62 TYR H . . 4.120 3.491 3.332 3.652 . 0 0 "[ . 1 . 2]" 1 734 1 59 LEU HA 1 62 TYR QD . . 2.970 2.350 2.194 2.582 . 0 0 "[ . 1 . 2]" 1 735 1 59 LEU HA 1 62 TYR QE . . 3.460 2.686 2.243 2.926 . 0 0 "[ . 1 . 2]" 1 736 1 59 LEU HA 1 71 TRP HD1 . . 5.410 5.309 4.908 5.485 0.075 4 0 "[ . 1 . 2]" 1 737 1 59 LEU HB2 1 61 GLU H . . 4.870 4.942 4.894 4.961 0.091 8 0 "[ . 1 . 2]" 1 738 1 59 LEU HB3 1 62 TYR QD . . 3.490 3.557 3.471 3.582 0.092 18 0 "[ . 1 . 2]" 1 739 1 59 LEU HB3 1 62 TYR QE . . 4.510 4.510 4.022 4.593 0.083 11 0 "[ . 1 . 2]" 1 740 1 59 LEU HB3 1 72 ARG H . . 4.540 4.515 4.265 4.610 0.070 10 0 "[ . 1 . 2]" 1 741 1 59 LEU HB3 1 72 ARG HA . . 4.180 4.257 4.118 4.274 0.094 12 0 "[ . 1 . 2]" 1 742 1 59 LEU QD 1 60 LYS H . . 4.550 4.115 3.801 4.251 . 0 0 "[ . 1 . 2]" 1 743 1 59 LEU QD 1 62 TYR QD . . 3.460 3.017 2.703 3.356 . 0 0 "[ . 1 . 2]" 1 744 1 59 LEU QD 1 62 TYR QE . . 3.560 2.230 2.036 2.502 . 0 0 "[ . 1 . 2]" 1 745 1 59 LEU QD 1 71 TRP H . . 4.330 3.994 3.626 4.314 . 0 0 "[ . 1 . 2]" 1 746 1 59 LEU QD 1 71 TRP QB . . 3.600 1.956 1.831 2.063 . 0 0 "[ . 1 . 2]" 1 747 1 59 LEU QD 1 71 TRP HD1 . . 4.310 4.211 3.973 4.356 0.046 11 0 "[ . 1 . 2]" 1 748 1 59 LEU QD 1 72 ARG H . . 3.680 2.811 2.464 3.344 . 0 0 "[ . 1 . 2]" 1 749 1 59 LEU QD 1 73 LYS H . . 5.070 4.313 4.087 4.570 . 0 0 "[ . 1 . 2]" 1 750 1 60 LYS H 1 60 LYS QD . . 3.080 3.044 2.637 3.189 0.109 17 0 "[ . 1 . 2]" 1 751 1 60 LYS H 1 60 LYS QG . . 3.680 2.922 2.133 3.769 0.089 8 0 "[ . 1 . 2]" 1 752 1 60 LYS H 1 61 GLU H . . 3.430 2.748 2.541 2.891 . 0 0 "[ . 1 . 2]" 1 753 1 60 LYS HA 1 60 LYS QG . . 3.730 2.748 2.147 3.549 . 0 0 "[ . 1 . 2]" 1 754 1 60 LYS HA 1 62 TYR H . . 4.020 4.038 3.722 4.099 0.079 8 0 "[ . 1 . 2]" 1 755 1 61 GLU H 1 61 GLU HB2 . . 3.010 2.211 2.004 2.360 . 0 0 "[ . 1 . 2]" 1 756 1 61 GLU H 1 61 GLU HB3 . . 3.250 2.765 2.473 3.126 . 0 0 "[ . 1 . 2]" 1 757 1 61 GLU H 1 61 GLU QG . . 3.720 3.798 3.621 3.826 0.106 20 0 "[ . 1 . 2]" 1 758 1 61 GLU H 1 62 TYR H . . 3.270 2.608 2.318 2.742 . 0 0 "[ . 1 . 2]" 1 759 1 61 GLU H 1 62 TYR HB2 . . 5.200 5.210 4.858 5.273 0.073 17 0 "[ . 1 . 2]" 1 760 1 61 GLU H 1 62 TYR QE . . 5.440 5.187 4.821 5.523 0.083 14 0 "[ . 1 . 2]" 1 761 1 61 GLU HA 1 62 TYR H . . 3.530 3.564 3.425 3.601 0.071 13 0 "[ . 1 . 2]" 1 762 1 61 GLU HB2 1 62 TYR H . . 3.610 3.683 3.664 3.694 0.084 15 0 "[ . 1 . 2]" 1 763 1 61 GLU HB3 1 62 TYR H . . 3.430 2.726 2.328 3.498 0.068 11 0 "[ . 1 . 2]" 1 764 1 61 GLU HB3 1 62 TYR QE . . 4.550 4.163 3.626 4.635 0.085 15 0 "[ . 1 . 2]" 1 765 1 61 GLU QG 1 62 TYR H . . 4.550 4.211 3.533 4.551 0.001 11 0 "[ . 1 . 2]" 1 766 1 62 TYR H 1 62 TYR HB2 . . 3.470 2.752 2.604 2.943 . 0 0 "[ . 1 . 2]" 1 767 1 62 TYR H 1 62 TYR HB3 . . 3.620 3.664 3.603 3.700 0.080 20 0 "[ . 1 . 2]" 1 768 1 62 TYR H 1 62 TYR QE . . 4.540 4.313 4.047 4.512 . 0 0 "[ . 1 . 2]" 1 769 1 62 TYR H 1 63 THR H . . 5.030 4.552 2.698 4.702 . 0 0 "[ . 1 . 2]" 1 770 1 62 TYR H 1 63 THR MG . . 5.500 5.357 4.914 5.611 0.111 18 0 "[ . 1 . 2]" 1 771 1 62 TYR H 1 68 ILE HA . . 4.930 4.994 4.904 5.020 0.090 15 0 "[ . 1 . 2]" 1 772 1 62 TYR HA 1 62 TYR QD . . 3.190 2.454 2.260 2.628 . 0 0 "[ . 1 . 2]" 1 773 1 62 TYR HA 1 62 TYR QE . . 4.540 4.581 4.324 4.637 0.097 12 0 "[ . 1 . 2]" 1 774 1 62 TYR HA 1 63 THR H . . 3.410 2.336 2.167 3.449 0.039 15 0 "[ . 1 . 2]" 1 775 1 62 TYR HA 1 63 THR MG . . 4.750 3.538 3.203 3.937 . 0 0 "[ . 1 . 2]" 1 776 1 62 TYR HB2 1 63 THR H . . 4.660 3.661 2.978 3.956 . 0 0 "[ . 1 . 2]" 1 777 1 62 TYR HB2 1 63 THR MG . . 5.430 5.194 4.865 5.532 0.102 14 0 "[ . 1 . 2]" 1 778 1 62 TYR HB2 1 67 GLN H . . 5.500 5.364 4.898 5.555 0.055 4 0 "[ . 1 . 2]" 1 779 1 62 TYR HB2 1 68 ILE H . . 4.580 3.344 3.190 3.511 . 0 0 "[ . 1 . 2]" 1 780 1 62 TYR HB2 1 68 ILE HA . . 4.030 3.190 2.970 3.466 . 0 0 "[ . 1 . 2]" 1 781 1 62 TYR HB2 1 68 ILE HB . . 4.370 4.311 4.183 4.444 0.074 15 0 "[ . 1 . 2]" 1 782 1 62 TYR HB2 1 68 ILE QG . . 4.190 4.280 4.265 4.298 0.108 1 0 "[ . 1 . 2]" 1 783 1 62 TYR HB2 1 68 ILE MG . . 3.970 1.928 1.904 1.977 . 0 0 "[ . 1 . 2]" 1 784 1 62 TYR HB3 1 63 THR H . . 3.970 2.811 2.337 3.866 . 0 0 "[ . 1 . 2]" 1 785 1 62 TYR HB3 1 64 ASN H . . 3.870 3.397 2.794 3.915 0.045 4 0 "[ . 1 . 2]" 1 786 1 62 TYR HB3 1 67 GLN H . . 4.900 4.867 4.440 4.976 0.076 11 0 "[ . 1 . 2]" 1 787 1 62 TYR HB3 1 67 GLN HB2 . . 3.710 3.079 2.438 3.371 . 0 0 "[ . 1 . 2]" 1 788 1 62 TYR HB3 1 67 GLN HB3 . . 3.700 2.190 2.057 2.487 . 0 0 "[ . 1 . 2]" 1 789 1 62 TYR HB3 1 67 GLN HE21 . . 3.450 3.025 1.923 3.517 0.067 18 0 "[ . 1 . 2]" 1 790 1 62 TYR HB3 1 67 GLN HE22 . . 3.590 3.567 3.079 3.672 0.082 20 0 "[ . 1 . 2]" 1 791 1 62 TYR HB3 1 68 ILE HA . . 4.610 4.505 4.176 4.679 0.069 15 0 "[ . 1 . 2]" 1 792 1 62 TYR HB3 1 68 ILE MG . . 4.460 3.064 2.907 3.239 . 0 0 "[ . 1 . 2]" 1 793 1 62 TYR HB3 1 71 TRP HD1 . . 4.460 4.309 3.968 4.525 0.065 8 0 "[ . 1 . 2]" 1 794 1 62 TYR QD 1 63 THR H . . 4.460 4.034 3.756 4.509 0.049 15 0 "[ . 1 . 2]" 1 795 1 62 TYR QD 1 67 GLN HB2 . . 4.770 4.542 4.164 4.832 0.062 10 0 "[ . 1 . 2]" 1 796 1 62 TYR QD 1 67 GLN HB3 . . 4.110 3.373 3.142 3.611 . 0 0 "[ . 1 . 2]" 1 797 1 62 TYR QD 1 67 GLN HE21 . . 4.820 2.347 1.802 3.322 . 0 0 "[ . 1 . 2]" 1 798 1 62 TYR QD 1 68 ILE H . . 4.950 4.368 4.030 4.581 . 0 0 "[ . 1 . 2]" 1 799 1 62 TYR QD 1 68 ILE HA . . 3.890 2.710 2.198 2.995 . 0 0 "[ . 1 . 2]" 1 800 1 62 TYR QD 1 68 ILE QG . . 5.230 5.221 4.887 5.336 0.106 9 0 "[ . 1 . 2]" 1 801 1 62 TYR QD 1 68 ILE MG . . 4.990 2.806 2.407 3.006 . 0 0 "[ . 1 . 2]" 1 802 1 62 TYR QD 1 71 TRP QB . . 4.750 3.106 2.839 3.452 . 0 0 "[ . 1 . 2]" 1 803 1 62 TYR QD 1 71 TRP HE1 . . 5.500 4.493 4.079 4.872 . 0 0 "[ . 1 . 2]" 1 804 1 62 TYR QE 1 67 GLN HB3 . . 4.970 4.641 4.327 5.051 0.081 5 0 "[ . 1 . 2]" 1 805 1 62 TYR QE 1 67 GLN HE21 . . 4.970 3.347 2.687 5.061 0.091 15 0 "[ . 1 . 2]" 1 806 1 62 TYR QE 1 67 GLN HE22 . . 4.940 4.019 3.253 4.721 . 0 0 "[ . 1 . 2]" 1 807 1 62 TYR QE 1 67 GLN HG3 . . 5.500 5.627 5.439 6.244 0.744 19 2 "[ . 1 - +2]" 1 808 1 62 TYR QE 1 68 ILE HA . . 4.810 4.521 3.962 4.882 0.072 14 0 "[ . 1 . 2]" 1 809 1 62 TYR QE 1 68 ILE MG . . 5.500 4.836 4.519 5.023 . 0 0 "[ . 1 . 2]" 1 810 1 62 TYR QE 1 71 TRP H . . 5.380 5.072 4.802 5.420 0.040 12 0 "[ . 1 . 2]" 1 811 1 62 TYR QE 1 71 TRP QB . . 3.900 2.451 2.241 2.813 . 0 0 "[ . 1 . 2]" 1 812 1 62 TYR QE 1 71 TRP HD1 . . 4.230 3.325 3.008 3.692 . 0 0 "[ . 1 . 2]" 1 813 1 62 TYR QE 1 71 TRP HE1 . . 4.550 3.663 3.105 4.089 . 0 0 "[ . 1 . 2]" 1 814 1 62 TYR QE 1 71 TRP HE3 . . 5.140 4.744 4.387 5.010 . 0 0 "[ . 1 . 2]" 1 815 1 62 TYR QE 1 71 TRP HZ2 . . 5.500 5.018 4.544 5.445 . 0 0 "[ . 1 . 2]" 1 816 1 63 THR H 1 63 THR MG . . 4.120 2.414 1.782 3.367 . 0 0 "[ . 1 . 2]" 1 817 1 63 THR H 1 64 ASN H . . 3.930 2.315 1.967 3.275 . 0 0 "[ . 1 . 2]" 1 818 1 63 THR HA 1 63 THR MG . . 3.020 2.682 2.214 3.148 0.128 19 0 "[ . 1 . 2]" 1 819 1 63 THR HA 1 68 ILE MG . . 3.800 3.591 3.095 3.881 0.081 4 0 "[ . 1 . 2]" 1 820 1 63 THR HB 1 64 ASN H . . 5.160 3.840 2.853 4.490 . 0 0 "[ . 1 . 2]" 1 821 1 63 THR MG 1 64 ASN H . . 4.330 3.255 1.988 4.242 . 0 0 "[ . 1 . 2]" 1 822 1 63 THR MG 1 64 ASN HA . . 5.500 4.697 3.671 5.561 0.061 3 0 "[ . 1 . 2]" 1 823 1 64 ASN H 1 64 ASN QB . . 3.230 2.274 2.006 2.618 . 0 0 "[ . 1 . 2]" 1 824 1 64 ASN H 1 67 GLN HB2 . . 5.050 3.507 2.890 3.952 . 0 0 "[ . 1 . 2]" 1 825 1 64 ASN H 1 67 GLN HB3 . . 5.410 4.263 3.731 4.630 . 0 0 "[ . 1 . 2]" 1 826 1 64 ASN H 1 68 ILE MG . . 5.500 3.950 3.091 4.483 . 0 0 "[ . 1 . 2]" 1 827 1 64 ASN HA 1 64 ASN HD21 . . 4.740 3.790 2.659 4.427 . 0 0 "[ . 1 . 2]" 1 828 1 64 ASN HA 1 64 ASN HD22 . . 4.540 4.151 3.600 4.598 0.058 16 0 "[ . 1 . 2]" 1 829 1 64 ASN HA 1 65 PRO HB3 . . 4.800 4.833 4.691 4.882 0.082 12 0 "[ . 1 . 2]" 1 830 1 64 ASN HA 1 65 PRO HD2 . . 3.420 2.379 2.161 2.636 . 0 0 "[ . 1 . 2]" 1 831 1 64 ASN HA 1 65 PRO HD3 . . 3.750 2.397 2.270 2.559 . 0 0 "[ . 1 . 2]" 1 832 1 64 ASN HA 1 65 PRO HG2 . . 5.070 4.540 4.383 4.662 . 0 0 "[ . 1 . 2]" 1 833 1 64 ASN HA 1 66 GLU H . . 4.400 4.323 4.165 4.463 0.063 8 0 "[ . 1 . 2]" 1 834 1 64 ASN HA 1 67 GLN H . . 5.020 4.664 4.535 4.884 . 0 0 "[ . 1 . 2]" 1 835 1 64 ASN HA 1 67 GLN HB2 . . 4.920 4.719 4.424 4.994 0.074 12 0 "[ . 1 . 2]" 1 836 1 64 ASN HA 1 68 ILE MG . . 5.430 4.884 4.635 5.224 . 0 0 "[ . 1 . 2]" 1 837 1 64 ASN QB 1 67 GLN H . . 3.820 2.521 2.211 2.832 . 0 0 "[ . 1 . 2]" 1 838 1 64 ASN QB 1 67 GLN HA . . 5.300 4.581 4.347 4.888 . 0 0 "[ . 1 . 2]" 1 839 1 64 ASN QB 1 67 GLN HB2 . . 3.690 2.273 2.072 2.609 . 0 0 "[ . 1 . 2]" 1 840 1 64 ASN QB 1 67 GLN HB3 . . 3.910 3.721 3.349 3.983 0.073 4 0 "[ . 1 . 2]" 1 841 1 64 ASN QB 1 67 GLN HG3 . . 4.220 3.863 3.131 4.308 0.088 7 0 "[ . 1 . 2]" 1 842 1 64 ASN QB 1 68 ILE H . . 4.360 4.010 3.663 4.342 . 0 0 "[ . 1 . 2]" 1 843 1 64 ASN HD21 1 65 PRO HD2 . . 5.500 3.391 2.281 5.030 . 0 0 "[ . 1 . 2]" 1 844 1 64 ASN HD21 1 66 GLU QB . . 5.410 4.261 3.317 5.496 0.086 10 0 "[ . 1 . 2]" 1 845 1 65 PRO HA 1 68 ILE H . . 4.030 3.705 3.548 3.828 . 0 0 "[ . 1 . 2]" 1 846 1 65 PRO HA 1 68 ILE QG . . 4.000 2.083 1.957 2.217 . 0 0 "[ . 1 . 2]" 1 847 1 65 PRO HA 1 68 ILE MG . . 4.170 3.890 3.748 4.127 . 0 0 "[ . 1 . 2]" 1 848 1 65 PRO HA 1 69 LYS H . . 4.440 3.864 3.587 4.082 . 0 0 "[ . 1 . 2]" 1 849 1 65 PRO HB3 1 66 GLU H . . 4.110 4.146 4.032 4.191 0.081 9 0 "[ . 1 . 2]" 1 850 1 65 PRO HB3 1 68 ILE QG . . 5.220 3.978 3.780 4.251 . 0 0 "[ . 1 . 2]" 1 851 1 65 PRO HD2 1 66 GLU H . . 4.550 2.821 2.637 2.967 . 0 0 "[ . 1 . 2]" 1 852 1 65 PRO HG2 1 66 GLU H . . 3.000 2.284 2.077 2.664 . 0 0 "[ . 1 . 2]" 1 853 1 66 GLU H 1 66 GLU QG . . 3.600 2.528 1.908 3.704 0.104 14 0 "[ . 1 . 2]" 1 854 1 66 GLU H 1 67 GLN H . . 3.150 2.775 2.476 2.903 . 0 0 "[ . 1 . 2]" 1 855 1 66 GLU H 1 68 ILE H . . 4.930 4.553 4.387 4.745 . 0 0 "[ . 1 . 2]" 1 856 1 66 GLU QB 1 67 GLN H . . 3.540 2.829 2.241 3.574 0.034 16 0 "[ . 1 . 2]" 1 857 1 67 GLN H 1 67 GLN HB2 . . 3.080 2.068 2.011 2.173 . 0 0 "[ . 1 . 2]" 1 858 1 67 GLN H 1 67 GLN HB3 . . 3.250 3.275 3.110 3.342 0.092 15 0 "[ . 1 . 2]" 1 859 1 67 GLN H 1 67 GLN HG3 . . 3.790 3.443 2.821 3.866 0.076 5 0 "[ . 1 . 2]" 1 860 1 67 GLN H 1 68 ILE H . . 3.520 2.795 2.556 3.018 . 0 0 "[ . 1 . 2]" 1 861 1 67 GLN H 1 68 ILE HA . . 5.500 5.331 5.139 5.488 . 0 0 "[ . 1 . 2]" 1 862 1 67 GLN H 1 68 ILE MD . . 5.500 5.386 4.805 5.584 0.084 8 0 "[ . 1 . 2]" 1 863 1 67 GLN H 1 68 ILE QG . . 5.150 4.041 3.638 4.263 . 0 0 "[ . 1 . 2]" 1 864 1 67 GLN H 1 68 ILE MG . . 5.180 4.497 4.230 4.719 . 0 0 "[ . 1 . 2]" 1 865 1 67 GLN HA 1 67 GLN HE21 . . 5.500 4.812 4.578 5.122 . 0 0 "[ . 1 . 2]" 1 866 1 67 GLN HA 1 67 GLN HG3 . . 3.550 2.412 2.215 2.919 . 0 0 "[ . 1 . 2]" 1 867 1 67 GLN HA 1 70 GLN H . . 3.660 3.603 3.273 3.729 0.069 18 0 "[ . 1 . 2]" 1 868 1 67 GLN HA 1 71 TRP H . . 4.530 3.478 3.169 3.675 . 0 0 "[ . 1 . 2]" 1 869 1 67 GLN HA 1 71 TRP HD1 . . 3.450 2.969 2.627 3.326 . 0 0 "[ . 1 . 2]" 1 870 1 67 GLN HA 1 71 TRP HE1 . . 5.160 4.158 3.781 4.548 . 0 0 "[ . 1 . 2]" 1 871 1 67 GLN HB2 1 68 ILE H . . 3.930 2.924 2.626 3.196 . 0 0 "[ . 1 . 2]" 1 872 1 67 GLN HB2 1 68 ILE HA . . 5.170 5.045 4.741 5.239 0.069 10 0 "[ . 1 . 2]" 1 873 1 67 GLN HB2 1 68 ILE MG . . 5.190 3.999 3.675 4.317 . 0 0 "[ . 1 . 2]" 1 874 1 67 GLN HB3 1 68 ILE H . . 3.880 2.728 2.457 3.024 . 0 0 "[ . 1 . 2]" 1 875 1 67 GLN HB3 1 71 TRP HD1 . . 3.250 2.886 2.179 3.286 0.036 5 0 "[ . 1 . 2]" 1 876 1 67 GLN HB3 1 71 TRP HE1 . . 4.620 4.384 3.766 4.688 0.068 5 0 "[ . 1 . 2]" 1 877 1 67 GLN HE21 1 71 TRP HD1 . . 5.120 4.060 3.275 4.965 . 0 0 "[ . 1 . 2]" 1 878 1 67 GLN HE21 1 71 TRP HE1 . . 5.480 3.725 2.482 5.002 . 0 0 "[ . 1 . 2]" 1 879 1 67 GLN HE22 1 71 TRP HE1 . . 5.360 4.864 3.997 5.435 0.075 20 0 "[ . 1 . 2]" 1 880 1 67 GLN HG2 1 71 TRP HD1 . . 3.830 2.397 2.136 2.584 . 0 0 "[ . 1 . 2]" 1 881 1 67 GLN HG2 1 71 TRP HE1 . . 5.090 2.433 2.119 2.687 . 0 0 "[ . 1 . 2]" 1 882 1 67 GLN HG3 1 68 ILE H . . 4.860 4.906 4.812 4.947 0.087 12 0 "[ . 1 . 2]" 1 883 1 67 GLN HG3 1 71 TRP HD1 . . 3.810 3.798 3.346 3.933 0.123 15 0 "[ . 1 . 2]" 1 884 1 67 GLN HG3 1 71 TRP HE1 . . 5.200 3.674 2.989 4.035 . 0 0 "[ . 1 . 2]" 1 885 1 68 ILE H 1 68 ILE HB . . 3.610 3.672 3.653 3.690 0.080 10 0 "[ . 1 . 2]" 1 886 1 68 ILE H 1 68 ILE MD . . 4.210 3.761 3.444 3.928 . 0 0 "[ . 1 . 2]" 1 887 1 68 ILE H 1 68 ILE QG . . 3.760 2.183 2.072 2.335 . 0 0 "[ . 1 . 2]" 1 888 1 68 ILE H 1 68 ILE MG . . 3.750 2.269 2.167 2.375 . 0 0 "[ . 1 . 2]" 1 889 1 68 ILE H 1 69 LYS H . . 3.570 2.899 2.817 2.998 . 0 0 "[ . 1 . 2]" 1 890 1 68 ILE H 1 69 LYS HA . . 5.500 5.458 5.411 5.525 0.025 9 0 "[ . 1 . 2]" 1 891 1 68 ILE H 1 70 GLN H . . 4.770 4.512 4.395 4.638 . 0 0 "[ . 1 . 2]" 1 892 1 68 ILE H 1 71 TRP HD1 . . 5.500 4.610 4.424 4.840 . 0 0 "[ . 1 . 2]" 1 893 1 68 ILE HA 1 68 ILE MD . . 3.650 3.742 3.720 3.753 0.103 9 0 "[ . 1 . 2]" 1 894 1 68 ILE HA 1 68 ILE QG . . 3.610 3.437 3.376 3.544 . 0 0 "[ . 1 . 2]" 1 895 1 68 ILE HA 1 70 GLN H . . 5.500 4.779 4.593 4.976 . 0 0 "[ . 1 . 2]" 1 896 1 68 ILE HA 1 71 TRP H . . 4.690 4.008 3.829 4.206 . 0 0 "[ . 1 . 2]" 1 897 1 68 ILE HA 1 71 TRP HD1 . . 4.520 4.080 3.783 4.361 . 0 0 "[ . 1 . 2]" 1 898 1 68 ILE HA 1 72 ARG H . . 4.890 3.793 3.647 3.996 . 0 0 "[ . 1 . 2]" 1 899 1 68 ILE MD 1 69 LYS H . . 3.380 2.587 2.153 2.884 . 0 0 "[ . 1 . 2]" 1 900 1 68 ILE QG 1 68 ILE MG . . 3.310 2.041 2.009 2.076 . 0 0 "[ . 1 . 2]" 1 901 1 68 ILE MG 1 69 LYS H . . 4.750 4.134 4.047 4.231 . 0 0 "[ . 1 . 2]" 1 902 1 69 LYS H 1 69 LYS QB . . 2.910 2.274 2.134 2.449 . 0 0 "[ . 1 . 2]" 1 903 1 69 LYS H 1 70 GLN H . . 3.780 2.747 2.537 2.858 . 0 0 "[ . 1 . 2]" 1 904 1 69 LYS HA 1 72 ARG H . . 4.340 3.675 3.381 4.018 . 0 0 "[ . 1 . 2]" 1 905 1 70 GLN H 1 70 GLN HB2 . . 2.780 2.403 2.316 2.554 . 0 0 "[ . 1 . 2]" 1 906 1 70 GLN H 1 71 TRP H . . 3.500 2.783 2.575 2.928 . 0 0 "[ . 1 . 2]" 1 907 1 70 GLN H 1 71 TRP QB . . 4.940 4.698 4.497 4.833 . 0 0 "[ . 1 . 2]" 1 908 1 70 GLN H 1 71 TRP HD1 . . 5.420 5.193 4.949 5.400 . 0 0 "[ . 1 . 2]" 1 909 1 70 GLN H 1 72 ARG H . . 4.600 4.032 3.847 4.175 . 0 0 "[ . 1 . 2]" 1 910 1 70 GLN HA 1 70 GLN HB2 . . 2.840 2.539 2.456 2.583 . 0 0 "[ . 1 . 2]" 1 911 1 70 GLN HA 1 70 GLN HE21 . . 4.430 3.607 2.451 4.314 . 0 0 "[ . 1 . 2]" 1 912 1 70 GLN HA 1 70 GLN HE22 . . 5.500 4.340 3.308 5.595 0.095 4 0 "[ . 1 . 2]" 1 913 1 70 GLN HB3 1 71 TRP H . . 3.260 2.439 2.293 2.611 . 0 0 "[ . 1 . 2]" 1 914 1 70 GLN HB3 1 71 TRP HD1 . . 4.540 4.285 3.848 4.587 0.047 3 0 "[ . 1 . 2]" 1 915 1 70 GLN HB3 1 72 ARG H . . 4.830 4.889 4.814 4.912 0.082 3 0 "[ . 1 . 2]" 1 916 1 70 GLN HB3 1 74 ASN QD . . 4.410 3.917 3.618 4.355 . 0 0 "[ . 1 . 2]" 1 917 1 70 GLN HE21 1 74 ASN H . . 5.500 4.292 3.260 5.238 . 0 0 "[ . 1 . 2]" 1 918 1 70 GLN HE21 1 74 ASN HB3 . . 5.500 5.137 4.593 6.016 0.516 15 1 "[ . 1 + 2]" 1 919 1 70 GLN HE21 1 74 ASN QD . . 5.110 2.717 1.898 3.470 . 0 0 "[ . 1 . 2]" 1 920 1 70 GLN HG3 1 74 ASN QD . . 4.390 2.679 1.903 4.158 . 0 0 "[ . 1 . 2]" 1 921 1 71 TRP H 1 71 TRP QB . . 3.290 2.336 2.292 2.386 . 0 0 "[ . 1 . 2]" 1 922 1 71 TRP H 1 71 TRP HD1 . . 3.420 3.234 3.093 3.373 . 0 0 "[ . 1 . 2]" 1 923 1 71 TRP H 1 71 TRP HE1 . . 5.250 5.147 4.907 5.295 0.045 20 0 "[ . 1 . 2]" 1 924 1 71 TRP H 1 72 ARG H . . 3.440 2.727 2.636 2.821 . 0 0 "[ . 1 . 2]" 1 925 1 71 TRP HA 1 71 TRP HE1 . . 5.500 5.537 5.416 5.578 0.078 17 0 "[ . 1 . 2]" 1 926 1 71 TRP HA 1 71 TRP HE3 . . 3.160 2.397 2.282 2.532 . 0 0 "[ . 1 . 2]" 1 927 1 71 TRP HA 1 71 TRP HZ3 . . 4.570 4.592 4.461 4.639 0.069 20 0 "[ . 1 . 2]" 1 928 1 71 TRP HA 1 74 ASN H . . 3.690 3.087 2.910 3.214 . 0 0 "[ . 1 . 2]" 1 929 1 71 TRP HA 1 74 ASN HB3 . . 4.430 3.702 2.522 3.920 . 0 0 "[ . 1 . 2]" 1 930 1 71 TRP HA 1 74 ASN QD . . 4.210 2.840 2.252 3.623 . 0 0 "[ . 1 . 2]" 1 931 1 71 TRP HA 1 75 LEU QD . . 4.340 3.406 2.889 4.321 . 0 0 "[ . 1 . 2]" 1 932 1 71 TRP QB 1 71 TRP HD1 . . 3.390 2.541 2.485 2.611 . 0 0 "[ . 1 . 2]" 1 933 1 71 TRP QB 1 71 TRP HE3 . . 3.450 2.804 2.603 2.884 . 0 0 "[ . 1 . 2]" 1 934 1 71 TRP QB 1 72 ARG H . . 4.110 2.822 2.678 2.990 . 0 0 "[ . 1 . 2]" 1 935 1 71 TRP QB 1 74 ASN H . . 5.230 4.746 4.644 4.856 . 0 0 "[ . 1 . 2]" 1 936 1 71 TRP QB 1 75 LEU H . . 5.200 4.188 3.962 4.269 . 0 0 "[ . 1 . 2]" 1 937 1 71 TRP HD1 1 72 ARG H . . 5.190 5.159 5.015 5.253 0.063 19 0 "[ . 1 . 2]" 1 938 1 71 TRP HE3 1 74 ASN HB2 . . 3.980 2.501 2.230 3.374 . 0 0 "[ . 1 . 2]" 1 939 1 71 TRP HE3 1 74 ASN HB3 . . 3.900 3.211 2.179 3.552 . 0 0 "[ . 1 . 2]" 1 940 1 71 TRP HE3 1 74 ASN QD . . 4.620 3.063 2.410 4.041 . 0 0 "[ . 1 . 2]" 1 941 1 71 TRP HE3 1 75 LEU H . . 4.790 3.748 3.354 3.875 . 0 0 "[ . 1 . 2]" 1 942 1 71 TRP HE3 1 75 LEU QD . . 3.260 2.388 2.048 3.183 . 0 0 "[ . 1 . 2]" 1 943 1 71 TRP HH2 1 74 ASN QD . . 5.340 4.444 3.675 4.911 . 0 0 "[ . 1 . 2]" 1 944 1 71 TRP HZ2 1 74 ASN QD . . 5.350 4.851 4.083 5.238 . 0 0 "[ . 1 . 2]" 1 945 1 71 TRP HZ3 1 74 ASN HB2 . . 3.840 3.916 3.634 4.560 0.720 13 1 "[ . 1 + . 2]" 1 946 1 71 TRP HZ3 1 74 ASN HB3 . . 4.740 3.477 3.109 3.804 . 0 0 "[ . 1 . 2]" 1 947 1 71 TRP HZ3 1 74 ASN QD . . 5.140 3.559 2.926 4.032 . 0 0 "[ . 1 . 2]" 1 948 1 71 TRP HZ3 1 75 LEU H . . 5.500 5.445 5.023 5.564 0.064 20 0 "[ . 1 . 2]" 1 949 1 71 TRP HZ3 1 75 LEU QD . . 3.430 3.235 3.005 3.555 0.125 2 0 "[ . 1 . 2]" 1 950 1 72 ARG H 1 72 ARG QB . . 3.360 2.306 2.175 2.596 . 0 0 "[ . 1 . 2]" 1 951 1 72 ARG H 1 73 LYS H . . 3.600 2.911 2.724 3.051 . 0 0 "[ . 1 . 2]" 1 952 1 72 ARG HA 1 75 LEU H . . 4.740 4.169 3.722 4.557 . 0 0 "[ . 1 . 2]" 1 953 1 72 ARG HA 1 76 TRP H . . 4.840 4.500 4.085 4.868 0.028 13 0 "[ . 1 . 2]" 1 954 1 72 ARG HA 1 76 TRP HD1 . . 4.590 4.189 3.673 4.491 . 0 0 "[ . 1 . 2]" 1 955 1 72 ARG HA 1 76 TRP HE1 . . 5.500 5.249 4.905 5.565 0.065 2 0 "[ . 1 . 2]" 1 956 1 73 LYS H 1 73 LYS QB . . 3.100 2.458 2.089 2.801 . 0 0 "[ . 1 . 2]" 1 957 1 73 LYS H 1 73 LYS QD . . 4.470 3.878 2.777 4.528 0.058 13 0 "[ . 1 . 2]" 1 958 1 73 LYS H 1 74 ASN H . . 3.070 2.570 2.048 2.852 . 0 0 "[ . 1 . 2]" 1 959 1 73 LYS H 1 75 LEU H . . 4.750 4.374 3.862 4.695 . 0 0 "[ . 1 . 2]" 1 960 1 73 LYS H 1 76 TRP H . . 5.500 4.996 4.799 5.143 . 0 0 "[ . 1 . 2]" 1 961 1 73 LYS H 1 76 TRP HB2 . . 5.030 5.101 5.030 5.116 0.086 12 0 "[ . 1 . 2]" 1 962 1 73 LYS QB 1 73 LYS QE . . 3.890 3.123 2.039 3.899 0.009 7 0 "[ . 1 . 2]" 1 963 1 74 ASN H 1 74 ASN HB2 . . 3.560 2.504 2.130 2.612 . 0 0 "[ . 1 . 2]" 1 964 1 74 ASN H 1 74 ASN HB3 . . 3.700 3.597 3.181 3.634 . 0 0 "[ . 1 . 2]" 1 965 1 74 ASN H 1 74 ASN QD . . 4.830 3.841 3.673 4.092 . 0 0 "[ . 1 . 2]" 1 966 1 74 ASN H 1 75 LEU H . . 3.720 2.998 2.920 3.063 . 0 0 "[ . 1 . 2]" 1 967 1 74 ASN H 1 76 TRP H . . 5.410 4.506 4.303 4.691 . 0 0 "[ . 1 . 2]" 1 968 1 74 ASN H 1 76 TRP HB2 . . 5.500 5.238 5.112 5.369 . 0 0 "[ . 1 . 2]" 1 969 1 74 ASN H 1 77 ILE MD . . 5.140 3.858 3.276 4.136 . 0 0 "[ . 1 . 2]" 1 970 1 74 ASN HA 1 74 ASN HB2 . . 2.820 3.021 2.737 3.053 0.233 4 0 "[ . 1 . 2]" 1 971 1 74 ASN HA 1 77 ILE H . . 4.060 3.521 3.333 3.739 . 0 0 "[ . 1 . 2]" 1 972 1 74 ASN HA 1 77 ILE MD . . 3.340 2.538 2.134 2.941 . 0 0 "[ . 1 . 2]" 1 973 1 74 ASN HA 1 78 PHE H . . 4.950 3.971 3.827 4.215 . 0 0 "[ . 1 . 2]" 1 974 1 74 ASN HB2 1 75 LEU H . . 4.000 2.695 2.358 3.459 . 0 0 "[ . 1 . 2]" 1 975 1 74 ASN HB3 1 75 LEU H . . 3.820 3.461 2.663 3.722 . 0 0 "[ . 1 . 2]" 1 976 1 74 ASN QD 1 75 LEU H . . 5.500 4.894 4.536 5.256 . 0 0 "[ . 1 . 2]" 1 977 1 75 LEU H 1 75 LEU HB2 . . 3.590 2.293 2.191 2.510 . 0 0 "[ . 1 . 2]" 1 978 1 75 LEU H 1 75 LEU HB3 . . 3.960 3.544 3.482 3.662 . 0 0 "[ . 1 . 2]" 1 979 1 75 LEU H 1 76 TRP H . . 3.680 2.789 2.619 2.885 . 0 0 "[ . 1 . 2]" 1 980 1 75 LEU H 1 77 ILE H . . 5.290 4.145 3.989 4.325 . 0 0 "[ . 1 . 2]" 1 981 1 75 LEU HA 1 78 PHE H . . 4.090 3.422 3.296 3.619 . 0 0 "[ . 1 . 2]" 1 982 1 75 LEU HA 1 78 PHE HB3 . . 4.800 2.586 2.318 2.790 . 0 0 "[ . 1 . 2]" 1 983 1 75 LEU HA 1 78 PHE QD . . 4.020 4.002 3.792 4.114 0.094 11 0 "[ . 1 . 2]" 1 984 1 75 LEU HB2 1 76 TRP H . . 3.390 2.763 2.511 3.005 . 0 0 "[ . 1 . 2]" 1 985 1 76 TRP H 1 76 TRP HB2 . . 3.470 2.252 2.186 2.352 . 0 0 "[ . 1 . 2]" 1 986 1 76 TRP H 1 76 TRP HB3 . . 3.600 3.521 3.477 3.587 . 0 0 "[ . 1 . 2]" 1 987 1 76 TRP H 1 76 TRP HD1 . . 3.970 3.565 3.204 3.863 . 0 0 "[ . 1 . 2]" 1 988 1 76 TRP H 1 76 TRP HE1 . . 5.500 5.392 5.133 5.541 0.041 16 0 "[ . 1 . 2]" 1 989 1 76 TRP H 1 76 TRP HE3 . . 4.790 4.839 4.773 4.865 0.075 20 0 "[ . 1 . 2]" 1 990 1 76 TRP H 1 77 ILE H . . 3.600 2.842 2.712 2.973 . 0 0 "[ . 1 . 2]" 1 991 1 76 TRP H 1 77 ILE MD . . 5.500 5.205 5.029 5.334 . 0 0 "[ . 1 . 2]" 1 992 1 76 TRP H 1 78 PHE H . . 5.080 4.304 4.163 4.615 . 0 0 "[ . 1 . 2]" 1 993 1 76 TRP HA 1 76 TRP HE3 . . 3.200 2.252 2.157 2.366 . 0 0 "[ . 1 . 2]" 1 994 1 76 TRP HA 1 78 PHE H . . 5.240 4.520 4.358 4.708 . 0 0 "[ . 1 . 2]" 1 995 1 76 TRP HA 1 79 VAL H . . 3.920 3.519 3.295 3.624 . 0 0 "[ . 1 . 2]" 1 996 1 76 TRP HA 1 79 VAL HB . . 3.460 3.019 2.586 3.510 0.050 17 0 "[ . 1 . 2]" 1 997 1 76 TRP HA 1 79 VAL MG2 . . 3.680 3.468 2.927 3.744 0.064 1 0 "[ . 1 . 2]" 1 998 1 76 TRP HA 1 87 ALA MB . . 5.320 4.221 3.970 4.828 . 0 0 "[ . 1 . 2]" 1 999 1 76 TRP HB2 1 77 ILE H . . 4.240 2.952 2.709 3.141 . 0 0 "[ . 1 . 2]" 1 1000 1 76 TRP HB2 1 77 ILE MD . . 4.900 4.780 4.512 4.978 0.078 12 0 "[ . 1 . 2]" 1 1001 1 76 TRP HB3 1 76 TRP HE3 . . 3.800 3.098 2.838 3.276 . 0 0 "[ . 1 . 2]" 1 1002 1 76 TRP HB3 1 77 ILE H . . 4.270 3.470 3.247 3.712 . 0 0 "[ . 1 . 2]" 1 1003 1 76 TRP HB3 1 87 ALA MB . . 3.930 2.354 2.056 2.928 . 0 0 "[ . 1 . 2]" 1 1004 1 76 TRP HE1 1 94 TYR QE . . 5.500 5.471 5.123 5.584 0.084 3 0 "[ . 1 . 2]" 1 1005 1 76 TRP HE3 1 79 VAL HB . . 3.470 3.160 2.581 3.534 0.064 20 0 "[ . 1 . 2]" 1 1006 1 76 TRP HH2 1 91 HIS H . . 5.290 5.300 5.058 5.360 0.070 10 0 "[ . 1 . 2]" 1 1007 1 76 TRP HH2 1 94 TYR H . . 4.440 4.221 3.885 4.464 0.024 7 0 "[ . 1 . 2]" 1 1008 1 76 TRP HH2 1 94 TYR HB2 . . 3.360 2.219 2.105 2.365 . 0 0 "[ . 1 . 2]" 1 1009 1 76 TRP HH2 1 94 TYR QD . . 3.930 3.515 3.227 3.731 . 0 0 "[ . 1 . 2]" 1 1010 1 76 TRP HH2 1 94 TYR QE . . 5.140 4.945 4.603 5.205 0.065 16 0 "[ . 1 . 2]" 1 1011 1 76 TRP HH2 1 95 LYS H . . 5.500 5.422 5.114 5.577 0.077 12 0 "[ . 1 . 2]" 1 1012 1 76 TRP HZ2 1 94 TYR HB2 . . 3.630 3.602 3.406 3.697 0.067 7 0 "[ . 1 . 2]" 1 1013 1 76 TRP HZ3 1 79 VAL HB . . 4.390 4.255 3.570 4.469 0.079 19 0 "[ . 1 . 2]" 1 1014 1 76 TRP HZ3 1 90 LEU HA . . 4.560 4.491 3.909 4.653 0.093 8 0 "[ . 1 . 2]" 1 1015 1 76 TRP HZ3 1 90 LEU MD1 . . 3.230 2.608 2.085 4.022 0.792 11 1 "[ . 1+ . 2]" 1 1016 1 76 TRP HZ3 1 90 LEU HG . . 4.100 3.678 1.988 4.202 0.102 12 0 "[ . 1 . 2]" 1 1017 1 76 TRP HZ3 1 91 HIS H . . 4.900 4.782 4.509 4.967 0.067 17 0 "[ . 1 . 2]" 1 1018 1 76 TRP HZ3 1 94 TYR HB2 . . 4.820 4.152 3.836 4.487 . 0 0 "[ . 1 . 2]" 1 1019 1 77 ILE H 1 77 ILE HB . . 3.210 2.389 2.292 2.505 . 0 0 "[ . 1 . 2]" 1 1020 1 77 ILE H 1 77 ILE MD . . 3.960 3.417 3.294 3.498 . 0 0 "[ . 1 . 2]" 1 1021 1 77 ILE H 1 77 ILE QG . . 3.730 2.265 2.140 2.393 . 0 0 "[ . 1 . 2]" 1 1022 1 77 ILE H 1 77 ILE MG . . 3.860 3.773 3.721 3.823 . 0 0 "[ . 1 . 2]" 1 1023 1 77 ILE H 1 78 PHE H . . 3.550 2.607 2.481 2.750 . 0 0 "[ . 1 . 2]" 1 1024 1 77 ILE H 1 78 PHE HB2 . . 5.210 5.078 4.866 5.263 0.053 7 0 "[ . 1 . 2]" 1 1025 1 77 ILE H 1 78 PHE HB3 . . 5.310 4.753 4.583 4.861 . 0 0 "[ . 1 . 2]" 1 1026 1 77 ILE H 1 79 VAL H . . 5.170 4.248 4.079 4.437 . 0 0 "[ . 1 . 2]" 1 1027 1 77 ILE H 1 87 ALA MB . . 4.260 3.721 3.407 4.193 . 0 0 "[ . 1 . 2]" 1 1028 1 77 ILE HA 1 77 ILE MD . . 3.850 3.857 3.788 3.913 0.063 12 0 "[ . 1 . 2]" 1 1029 1 77 ILE HA 1 77 ILE QG . . 3.120 2.341 2.240 2.433 . 0 0 "[ . 1 . 2]" 1 1030 1 77 ILE HA 1 87 ALA H . . 4.840 4.458 4.176 4.915 0.075 6 0 "[ . 1 . 2]" 1 1031 1 77 ILE HA 1 87 ALA MB . . 3.440 2.585 2.138 3.168 . 0 0 "[ . 1 . 2]" 1 1032 1 77 ILE HB 1 77 ILE MD . . 3.360 2.371 2.312 2.462 . 0 0 "[ . 1 . 2]" 1 1033 1 77 ILE HB 1 78 PHE H . . 3.850 2.613 2.444 2.859 . 0 0 "[ . 1 . 2]" 1 1034 1 77 ILE MD 1 78 PHE H . . 4.810 4.533 4.369 4.755 . 0 0 "[ . 1 . 2]" 1 1035 1 77 ILE QG 1 78 PHE H . . 4.000 4.097 4.085 4.103 0.103 7 0 "[ . 1 . 2]" 1 1036 1 77 ILE QG 1 87 ALA MB . . 3.490 2.725 2.416 3.218 . 0 0 "[ . 1 . 2]" 1 1037 1 77 ILE MG 1 78 PHE H . . 3.730 3.305 3.033 3.683 . 0 0 "[ . 1 . 2]" 1 1038 1 78 PHE H 1 78 PHE HB2 . . 3.310 2.607 2.394 2.741 . 0 0 "[ . 1 . 2]" 1 1039 1 78 PHE H 1 78 PHE HB3 . . 3.400 2.552 2.492 2.642 . 0 0 "[ . 1 . 2]" 1 1040 1 78 PHE H 1 78 PHE QD . . 4.220 4.263 4.171 4.301 0.081 9 0 "[ . 1 . 2]" 1 1041 1 78 PHE H 1 79 VAL H . . 3.640 2.886 2.711 3.047 . 0 0 "[ . 1 . 2]" 1 1042 1 78 PHE H 1 81 LYS H . . 5.500 5.327 4.977 5.567 0.067 15 0 "[ . 1 . 2]" 1 1043 1 78 PHE H 1 87 ALA MB . . 5.500 5.254 4.826 5.591 0.091 6 0 "[ . 1 . 2]" 1 1044 1 78 PHE HA 1 78 PHE QD . . 3.240 2.628 2.400 2.999 . 0 0 "[ . 1 . 2]" 1 1045 1 78 PHE HB2 1 79 VAL H . . 4.060 3.915 3.770 4.002 . 0 0 "[ . 1 . 2]" 1 1046 1 78 PHE HB3 1 79 VAL H . . 3.760 2.568 2.382 2.665 . 0 0 "[ . 1 . 2]" 1 1047 1 78 PHE QD 1 79 VAL H . . 3.700 3.466 3.055 3.778 0.078 12 0 "[ . 1 . 2]" 1 1048 1 78 PHE QD 1 79 VAL HA . . 3.740 3.743 3.052 3.838 0.098 20 0 "[ . 1 . 2]" 1 1049 1 78 PHE QD 1 79 VAL MG2 . . 3.650 2.687 2.379 3.362 . 0 0 "[ . 1 . 2]" 1 1050 1 79 VAL H 1 79 VAL HB . . 3.320 2.509 2.349 2.663 . 0 0 "[ . 1 . 2]" 1 1051 1 79 VAL H 1 79 VAL MG2 . . 3.170 2.202 2.060 2.311 . 0 0 "[ . 1 . 2]" 1 1052 1 79 VAL H 1 81 LYS H . . 4.260 4.301 4.164 4.341 0.081 17 0 "[ . 1 . 2]" 1 1053 1 79 VAL H 1 81 LYS QD . . 5.350 5.255 4.734 5.440 0.090 2 0 "[ . 1 . 2]" 1 1054 1 79 VAL HA 1 79 VAL MG2 . . 3.090 2.315 2.227 2.407 . 0 0 "[ . 1 . 2]" 1 1055 1 79 VAL HA 1 81 LYS H . . 3.960 3.792 3.441 4.030 0.070 18 0 "[ . 1 . 2]" 1 1056 1 79 VAL HA 1 83 THR MG . . 4.390 4.413 4.221 4.496 0.106 1 0 "[ . 1 . 2]" 1 1057 1 79 VAL HB 1 80 SER H . . 4.040 2.776 2.577 3.036 . 0 0 "[ . 1 . 2]" 1 1058 1 79 VAL HB 1 81 LYS H . . 5.370 5.114 4.994 5.250 . 0 0 "[ . 1 . 2]" 1 1059 1 79 VAL MG2 1 80 SER H . . 3.870 3.962 3.934 3.982 0.112 13 0 "[ . 1 . 2]" 1 1060 1 79 VAL MG2 1 81 LYS H . . 5.360 5.233 5.073 5.415 0.055 2 0 "[ . 1 . 2]" 1 1061 1 80 SER H 1 80 SER QB . . 3.730 2.323 2.009 2.847 . 0 0 "[ . 1 . 2]" 1 1062 1 80 SER H 1 81 LYS H . . 3.580 2.991 2.818 3.108 . 0 0 "[ . 1 . 2]" 1 1063 1 80 SER H 1 87 ALA H . . 5.500 5.262 4.833 5.572 0.072 19 0 "[ . 1 . 2]" 1 1064 1 80 SER H 1 87 ALA MB . . 4.900 4.099 3.736 4.616 . 0 0 "[ . 1 . 2]" 1 1065 1 80 SER HA 1 90 LEU MD1 . . 4.260 3.144 2.122 5.235 0.975 13 2 "[ -. 1 + . 2]" 1 1066 1 80 SER QB 1 81 LYS H . . 4.370 3.214 2.462 4.085 . 0 0 "[ . 1 . 2]" 1 1067 1 81 LYS H 1 81 LYS HB2 . . 3.590 2.509 2.218 3.665 0.075 4 0 "[ . 1 . 2]" 1 1068 1 81 LYS H 1 81 LYS QD . . 3.500 2.990 2.333 3.577 0.077 20 0 "[ . 1 . 2]" 1 1069 1 81 LYS H 1 81 LYS HG3 . . 4.190 3.341 1.869 4.264 0.074 15 0 "[ . 1 . 2]" 1 1070 1 81 LYS H 1 82 PHE H . . 3.270 2.420 2.074 2.672 . 0 0 "[ . 1 . 2]" 1 1071 1 81 LYS H 1 82 PHE HA . . 5.500 5.152 4.870 5.320 . 0 0 "[ . 1 . 2]" 1 1072 1 81 LYS H 1 82 PHE HB2 . . 5.500 4.442 4.105 4.876 . 0 0 "[ . 1 . 2]" 1 1073 1 81 LYS H 1 82 PHE QD . . 4.630 3.705 3.321 4.151 . 0 0 "[ . 1 . 2]" 1 1074 1 81 LYS HA 1 83 THR H . . 4.480 3.964 3.443 4.552 0.072 10 0 "[ . 1 . 2]" 1 1075 1 81 LYS HB3 1 82 PHE H . . 4.200 3.722 3.268 4.294 0.094 2 0 "[ . 1 . 2]" 1 1076 1 81 LYS QD 1 82 PHE H . . 4.460 4.428 3.200 4.557 0.097 12 0 "[ . 1 . 2]" 1 1077 1 82 PHE H 1 82 PHE HB2 . . 3.490 2.338 2.051 2.635 . 0 0 "[ . 1 . 2]" 1 1078 1 82 PHE H 1 82 PHE HB3 . . 3.670 3.576 3.402 3.736 0.066 13 0 "[ . 1 . 2]" 1 1079 1 82 PHE H 1 82 PHE QD . . 3.190 2.404 2.275 2.619 . 0 0 "[ . 1 . 2]" 1 1080 1 82 PHE H 1 82 PHE QE . . 4.460 4.549 4.524 4.561 0.101 14 0 "[ . 1 . 2]" 1 1081 1 82 PHE H 1 83 THR H . . 3.500 2.992 2.358 3.377 . 0 0 "[ . 1 . 2]" 1 1082 1 82 PHE H 1 83 THR HA . . 5.440 5.287 4.910 5.502 0.062 20 0 "[ . 1 . 2]" 1 1083 1 82 PHE H 1 83 THR MG . . 4.520 3.673 3.309 4.166 . 0 0 "[ . 1 . 2]" 1 1084 1 82 PHE HA 1 82 PHE QD . . 3.370 3.009 2.824 3.160 . 0 0 "[ . 1 . 2]" 1 1085 1 82 PHE HA 1 82 PHE QE . . 5.160 4.523 4.250 4.751 . 0 0 "[ . 1 . 2]" 1 1086 1 82 PHE HB2 1 83 THR H . . 4.660 3.822 2.564 4.411 . 0 0 "[ . 1 . 2]" 1 1087 1 82 PHE HB2 1 83 THR HA . . 5.450 5.112 4.400 5.454 0.004 20 0 "[ . 1 . 2]" 1 1088 1 82 PHE HB2 1 83 THR MG . . 4.070 3.973 3.301 4.169 0.099 15 0 "[ . 1 . 2]" 1 1089 1 82 PHE HB3 1 83 THR H . . 4.510 4.188 3.186 4.573 0.063 13 0 "[ . 1 . 2]" 1 1090 1 82 PHE HB3 1 83 THR HA . . 4.760 4.613 3.956 4.841 0.081 11 0 "[ . 1 . 2]" 1 1091 1 83 THR H 1 83 THR HB . . 3.620 3.340 2.623 3.665 0.045 3 0 "[ . 1 . 2]" 1 1092 1 83 THR H 1 83 THR MG . . 3.500 2.536 1.874 2.851 . 0 0 "[ . 1 . 2]" 1 1093 1 83 THR H 1 84 GLU H . . 4.560 4.377 4.193 4.624 0.064 6 0 "[ . 1 . 2]" 1 1094 1 83 THR H 1 85 PHE H . . 5.500 4.640 4.271 5.233 . 0 0 "[ . 1 . 2]" 1 1095 1 83 THR H 1 90 LEU MD1 . . 5.500 5.274 4.211 6.375 0.875 4 2 "[ +. 1 - . 2]" 1 1096 1 83 THR HA 1 83 THR MG . . 3.370 3.256 3.243 3.278 . 0 0 "[ . 1 . 2]" 1 1097 1 83 THR HA 1 84 GLU H . . 3.110 2.491 2.388 2.705 . 0 0 "[ . 1 . 2]" 1 1098 1 83 THR HA 1 84 GLU QG . . 4.450 3.945 3.437 4.505 0.055 19 0 "[ . 1 . 2]" 1 1099 1 83 THR MG 1 84 GLU H . . 4.140 3.422 2.968 3.796 . 0 0 "[ . 1 . 2]" 1 1100 1 83 THR MG 1 85 PHE H . . 3.870 2.267 1.850 2.630 . 0 0 "[ . 1 . 2]" 1 1101 1 83 THR MG 1 85 PHE HA . . 4.750 4.133 3.846 4.350 . 0 0 "[ . 1 . 2]" 1 1102 1 83 THR MG 1 85 PHE HB2 . . 4.110 2.537 2.227 3.195 . 0 0 "[ . 1 . 2]" 1 1103 1 83 THR MG 1 85 PHE HB3 . . 4.620 3.724 3.367 4.059 . 0 0 "[ . 1 . 2]" 1 1104 1 83 THR MG 1 85 PHE QD . . 5.500 3.703 2.847 4.558 . 0 0 "[ . 1 . 2]" 1 1105 1 83 THR MG 1 86 ASP HA . . 4.960 4.405 3.223 5.023 0.063 8 0 "[ . 1 . 2]" 1 1106 1 84 GLU H 1 84 GLU HA . . 2.940 2.933 2.862 2.971 0.031 9 0 "[ . 1 . 2]" 1 1107 1 84 GLU H 1 84 GLU QB . . 3.680 2.413 2.015 2.984 . 0 0 "[ . 1 . 2]" 1 1108 1 84 GLU H 1 84 GLU QG . . 3.620 2.428 1.837 2.948 . 0 0 "[ . 1 . 2]" 1 1109 1 84 GLU H 1 85 PHE H . . 3.710 2.373 2.124 2.614 . 0 0 "[ . 1 . 2]" 1 1110 1 84 GLU H 1 85 PHE HB2 . . 5.140 4.348 3.993 4.721 . 0 0 "[ . 1 . 2]" 1 1111 1 84 GLU H 1 85 PHE QD . . 4.530 4.008 2.778 4.609 0.079 20 0 "[ . 1 . 2]" 1 1112 1 84 GLU HA 1 84 GLU QG . . 3.080 2.709 2.335 3.203 0.123 6 0 "[ . 1 . 2]" 1 1113 1 84 GLU HA 1 85 PHE H . . 3.560 3.442 3.253 3.509 . 0 0 "[ . 1 . 2]" 1 1114 1 85 PHE H 1 85 PHE HB2 . . 3.350 2.348 2.108 2.553 . 0 0 "[ . 1 . 2]" 1 1115 1 85 PHE H 1 85 PHE HB3 . . 3.810 3.586 3.470 3.666 . 0 0 "[ . 1 . 2]" 1 1116 1 85 PHE H 1 85 PHE QD . . 3.900 3.153 2.428 3.570 . 0 0 "[ . 1 . 2]" 1 1117 1 85 PHE H 1 85 PHE QE . . 5.160 4.972 4.692 5.245 0.085 3 0 "[ . 1 . 2]" 1 1118 1 85 PHE H 1 90 LEU MD1 . . 4.550 4.325 3.618 4.763 0.213 2 0 "[ . 1 . 2]" 1 1119 1 85 PHE HA 1 85 PHE QD . . 3.030 2.377 2.050 2.971 . 0 0 "[ . 1 . 2]" 1 1120 1 85 PHE HA 1 86 ASP H . . 2.730 2.122 2.057 2.185 . 0 0 "[ . 1 . 2]" 1 1121 1 85 PHE HA 1 86 ASP QB . . 4.300 4.105 3.906 4.219 . 0 0 "[ . 1 . 2]" 1 1122 1 85 PHE HB2 1 90 LEU H . . 5.050 4.529 4.148 5.073 0.023 19 0 "[ . 1 . 2]" 1 1123 1 85 PHE HB2 1 90 LEU HA . . 4.750 4.239 3.677 4.629 . 0 0 "[ . 1 . 2]" 1 1124 1 85 PHE HB2 1 90 LEU MD1 . . 3.730 3.099 2.034 3.772 0.042 2 0 "[ . 1 . 2]" 1 1125 1 85 PHE HB2 1 93 LEU QD . . 4.870 4.214 3.433 4.852 . 0 0 "[ . 1 . 2]" 1 1126 1 85 PHE HB3 1 90 LEU HA . . 3.400 3.366 2.947 3.482 0.082 11 0 "[ . 1 . 2]" 1 1127 1 85 PHE HB3 1 90 LEU MD1 . . 3.880 3.589 2.248 4.285 0.405 2 0 "[ . 1 . 2]" 1 1128 1 85 PHE QD 1 86 ASP H . . 3.900 3.907 3.398 3.995 0.095 10 0 "[ . 1 . 2]" 1 1129 1 85 PHE QD 1 89 LYS QG . . 4.240 2.620 2.138 3.658 . 0 0 "[ . 1 . 2]" 1 1130 1 85 PHE QD 1 90 LEU H . . 5.500 4.740 3.799 5.473 . 0 0 "[ . 1 . 2]" 1 1131 1 85 PHE QD 1 93 LEU QD . . 4.120 3.205 2.622 3.970 . 0 0 "[ . 1 . 2]" 1 1132 1 85 PHE QE 1 89 LYS QG . . 5.090 3.991 3.119 4.651 . 0 0 "[ . 1 . 2]" 1 1133 1 86 ASP H 1 86 ASP QB . . 3.410 2.261 2.071 2.501 . 0 0 "[ . 1 . 2]" 1 1134 1 86 ASP H 1 87 ALA H . . 4.940 4.566 4.488 4.659 . 0 0 "[ . 1 . 2]" 1 1135 1 86 ASP HA 1 88 ARG H . . 4.930 4.108 3.728 4.721 . 0 0 "[ . 1 . 2]" 1 1136 1 86 ASP QB 1 87 ALA H . . 3.230 2.841 2.546 3.140 . 0 0 "[ . 1 . 2]" 1 1137 1 86 ASP QB 1 87 ALA MB . . 4.940 3.985 3.365 4.536 . 0 0 "[ . 1 . 2]" 1 1138 1 86 ASP QB 1 88 ARG H . . 4.590 2.478 1.697 3.765 . 0 0 "[ . 1 . 2]" 1 1139 1 86 ASP QB 1 89 LYS H . . 3.960 2.735 2.172 3.790 . 0 0 "[ . 1 . 2]" 1 1140 1 86 ASP QB 1 89 LYS HD3 . . 3.350 2.726 2.021 3.375 0.025 16 0 "[ . 1 . 2]" 1 1141 1 86 ASP QB 1 89 LYS QG . . 4.590 3.349 2.075 4.289 . 0 0 "[ . 1 . 2]" 1 1142 1 87 ALA H 1 87 ALA MB . . 3.260 2.256 2.151 2.357 . 0 0 "[ . 1 . 2]" 1 1143 1 87 ALA H 1 88 ARG H . . 3.580 2.798 2.326 3.137 . 0 0 "[ . 1 . 2]" 1 1144 1 87 ALA H 1 89 LYS H . . 5.400 4.476 4.100 5.026 . 0 0 "[ . 1 . 2]" 1 1145 1 87 ALA H 1 90 LEU HB2 . . 5.200 4.576 4.134 5.237 0.037 4 0 "[ . 1 . 2]" 1 1146 1 87 ALA HA 1 90 LEU HB3 . . 4.340 3.199 2.217 3.853 . 0 0 "[ . 1 . 2]" 1 1147 1 87 ALA MB 1 88 ARG H . . 3.480 2.793 2.506 3.142 . 0 0 "[ . 1 . 2]" 1 1148 1 87 ALA MB 1 91 HIS H . . 4.750 4.461 4.060 4.805 0.055 14 0 "[ . 1 . 2]" 1 1149 1 88 ARG H 1 89 LYS H . . 3.380 2.745 2.478 3.124 . 0 0 "[ . 1 . 2]" 1 1150 1 88 ARG H 1 91 HIS H . . 5.500 5.004 4.557 5.566 0.066 19 0 "[ . 1 . 2]" 1 1151 1 89 LYS H 1 89 LYS QB . . 3.380 2.587 2.231 2.910 . 0 0 "[ . 1 . 2]" 1 1152 1 89 LYS H 1 89 LYS HD2 . . 3.330 2.751 2.012 3.411 0.081 19 0 "[ . 1 . 2]" 1 1153 1 89 LYS H 1 89 LYS HD3 . . 3.930 3.451 2.488 4.012 0.082 4 0 "[ . 1 . 2]" 1 1154 1 89 LYS H 1 90 LEU H . . 3.120 2.539 2.237 2.877 . 0 0 "[ . 1 . 2]" 1 1155 1 89 LYS H 1 90 LEU HA . . 5.500 5.112 4.809 5.399 . 0 0 "[ . 1 . 2]" 1 1156 1 89 LYS HA 1 92 LYS H . . 4.080 3.622 3.149 4.152 0.072 12 0 "[ . 1 . 2]" 1 1157 1 90 LEU H 1 90 LEU HB2 . . 4.150 2.095 1.993 2.436 . 0 0 "[ . 1 . 2]" 1 1158 1 90 LEU H 1 90 LEU HB3 . . 4.050 3.164 2.352 3.606 . 0 0 "[ . 1 . 2]" 1 1159 1 90 LEU H 1 90 LEU MD1 . . 3.890 3.844 3.265 4.074 0.184 2 0 "[ . 1 . 2]" 1 1160 1 90 LEU H 1 90 LEU MD2 . . 4.760 4.067 3.789 4.190 . 0 0 "[ . 1 . 2]" 1 1161 1 90 LEU H 1 91 HIS H . . 3.780 3.039 2.828 3.430 . 0 0 "[ . 1 . 2]" 1 1162 1 90 LEU H 1 92 LYS H . . 5.140 4.321 4.009 4.597 . 0 0 "[ . 1 . 2]" 1 1163 1 90 LEU H 1 93 LEU QD . . 5.500 4.227 3.455 5.291 . 0 0 "[ . 1 . 2]" 1 1164 1 90 LEU HA 1 90 LEU MD1 . . 4.590 3.351 1.975 3.884 . 0 0 "[ . 1 . 2]" 1 1165 1 90 LEU HA 1 93 LEU H . . 4.430 3.601 3.258 3.939 . 0 0 "[ . 1 . 2]" 1 1166 1 90 LEU HA 1 93 LEU HB2 . . 3.420 2.779 2.235 3.548 0.128 15 0 "[ . 1 . 2]" 1 1167 1 90 LEU HA 1 93 LEU QD . . 3.500 2.823 2.181 3.449 . 0 0 "[ . 1 . 2]" 1 1168 1 90 LEU HA 1 94 TYR H . . 4.820 3.977 3.717 4.485 . 0 0 "[ . 1 . 2]" 1 1169 1 90 LEU HB2 1 91 HIS H . . 3.080 3.136 2.465 3.845 0.765 8 4 "[ *. + - * . 2]" 1 1170 1 91 HIS H 1 92 LYS H . . 3.980 2.886 2.700 3.032 . 0 0 "[ . 1 . 2]" 1 1171 1 91 HIS H 1 93 LEU H . . 5.420 4.390 4.152 4.671 . 0 0 "[ . 1 . 2]" 1 1172 1 92 LYS H 1 92 LYS QB . . 3.160 2.346 2.067 2.707 . 0 0 "[ . 1 . 2]" 1 1173 1 92 LYS H 1 93 LEU H . . 3.730 2.585 2.363 2.803 . 0 0 "[ . 1 . 2]" 1 1174 1 92 LYS H 1 94 TYR H . . 5.500 4.181 3.757 4.358 . 0 0 "[ . 1 . 2]" 1 1175 1 92 LYS HA 1 95 LYS H . . 4.190 3.554 3.166 3.943 . 0 0 "[ . 1 . 2]" 1 1176 1 92 LYS HA 1 96 HIS H . . 5.160 3.923 3.420 4.203 . 0 0 "[ . 1 . 2]" 1 1177 1 92 LYS QB 1 93 LEU H . . 3.650 2.844 2.330 3.724 0.074 14 0 "[ . 1 . 2]" 1 1178 1 93 LEU H 1 93 LEU HB2 . . 3.590 2.323 2.081 2.589 . 0 0 "[ . 1 . 2]" 1 1179 1 93 LEU H 1 93 LEU HB3 . . 3.810 3.336 2.444 3.604 . 0 0 "[ . 1 . 2]" 1 1180 1 93 LEU H 1 93 LEU QD . . 4.200 3.110 2.238 3.755 . 0 0 "[ . 1 . 2]" 1 1181 1 93 LEU H 1 93 LEU HG . . 4.880 3.412 2.424 4.523 . 0 0 "[ . 1 . 2]" 1 1182 1 93 LEU H 1 96 HIS QB . . 4.940 4.922 4.642 5.039 0.099 19 0 "[ . 1 . 2]" 1 1183 1 93 LEU HA 1 93 LEU QD . . 3.020 2.157 2.006 2.469 . 0 0 "[ . 1 . 2]" 1 1184 1 93 LEU HA 1 96 HIS H . . 4.190 3.804 3.347 4.164 . 0 0 "[ . 1 . 2]" 1 1185 1 93 LEU HB2 1 94 TYR H . . 3.810 2.882 2.404 3.879 0.069 15 0 "[ . 1 . 2]" 1 1186 1 93 LEU HB3 1 94 TYR H . . 4.260 3.037 2.342 3.540 . 0 0 "[ . 1 . 2]" 1 1187 1 93 LEU QD 1 94 TYR H . . 4.460 4.007 3.748 4.170 . 0 0 "[ . 1 . 2]" 1 1188 1 93 LEU QD 1 96 HIS QB . . 4.620 3.851 3.007 4.509 . 0 0 "[ . 1 . 2]" 1 1189 1 94 TYR H 1 94 TYR HB3 . . 3.320 2.443 2.362 2.542 . 0 0 "[ . 1 . 2]" 1 1190 1 94 TYR H 1 94 TYR QD . . 4.130 4.194 4.166 4.216 0.086 10 0 "[ . 1 . 2]" 1 1191 1 94 TYR HA 1 94 TYR QD . . 3.310 2.472 2.245 2.680 . 0 0 "[ . 1 . 2]" 1 1192 1 94 TYR HA 1 97 ALA MB . . 4.470 2.539 2.197 2.912 . 0 0 "[ . 1 . 2]" 1 1193 1 94 TYR HB3 1 95 LYS H . . 3.390 2.473 2.190 2.666 . 0 0 "[ . 1 . 2]" 1 1194 1 94 TYR QD 1 95 LYS H . . 3.980 3.300 2.964 3.728 . 0 0 "[ . 1 . 2]" 1 1195 1 94 TYR QD 1 95 LYS HA . . 4.550 3.713 3.119 4.162 . 0 0 "[ . 1 . 2]" 1 1196 1 94 TYR QD 1 97 ALA MB . . 4.370 3.533 3.159 4.036 . 0 0 "[ . 1 . 2]" 1 1197 1 94 TYR QD 1 98 ILE MG . . 4.150 3.918 3.662 4.248 0.098 14 0 "[ . 1 . 2]" 1 1198 1 94 TYR QE 1 98 ILE MD . . 3.830 3.485 2.615 3.945 0.115 19 0 "[ . 1 . 2]" 1 1199 1 94 TYR QE 1 98 ILE MG . . 3.740 3.463 3.109 3.799 0.059 3 0 "[ . 1 . 2]" 1 1200 1 95 LYS H 1 95 LYS QB . . 3.720 2.278 2.128 2.515 . 0 0 "[ . 1 . 2]" 1 1201 1 95 LYS H 1 95 LYS QG . . 4.130 3.474 2.297 4.103 . 0 0 "[ . 1 . 2]" 1 1202 1 95 LYS HA 1 97 ALA H . . 5.220 4.401 4.090 4.776 . 0 0 "[ . 1 . 2]" 1 1203 1 95 LYS HA 1 98 ILE H . . 3.880 3.678 3.423 3.945 0.065 8 0 "[ . 1 . 2]" 1 1204 1 95 LYS HA 1 98 ILE MG . . 3.610 2.219 2.015 3.084 . 0 0 "[ . 1 . 2]" 1 1205 1 95 LYS HA 1 99 LYS H . . 4.820 3.823 3.433 4.268 . 0 0 "[ . 1 . 2]" 1 1206 1 95 LYS QB 1 96 HIS H . . 3.800 2.836 2.234 3.732 . 0 0 "[ . 1 . 2]" 1 1207 1 95 LYS QG 1 96 HIS H . . 4.870 3.894 2.262 4.554 . 0 0 "[ . 1 . 2]" 1 1208 1 96 HIS H 1 96 HIS QB . . 2.870 2.213 2.040 2.446 . 0 0 "[ . 1 . 2]" 1 1209 1 96 HIS H 1 97 ALA MB . . 4.480 4.412 4.157 4.544 0.064 3 0 "[ . 1 . 2]" 1 1210 1 96 HIS H 1 98 ILE MG . . 5.500 4.550 4.310 5.607 0.107 14 0 "[ . 1 . 2]" 1 1211 1 96 HIS QB 1 97 ALA H . . 2.910 2.785 2.465 3.022 0.112 5 0 "[ . 1 . 2]" 1 1212 1 96 HIS QB 1 98 ILE H . . 5.200 5.019 4.690 5.292 0.092 5 0 "[ . 1 . 2]" 1 1213 1 96 HIS QB 1 99 LYS H . . 5.100 5.128 4.895 5.202 0.102 13 0 "[ . 1 . 2]" 1 1214 1 97 ALA H 1 97 ALA MB . . 3.030 2.253 2.196 2.365 . 0 0 "[ . 1 . 2]" 1 1215 1 97 ALA H 1 98 ILE H . . 3.450 2.824 2.692 3.025 . 0 0 "[ . 1 . 2]" 1 1216 1 97 ALA H 1 98 ILE HB . . 5.430 5.263 4.343 5.497 0.067 19 0 "[ . 1 . 2]" 1 1217 1 97 ALA H 1 98 ILE MG . . 5.500 4.155 3.801 5.576 0.076 14 0 "[ . 1 . 2]" 1 1218 1 97 ALA H 1 99 LYS H . . 4.710 4.224 3.992 4.456 . 0 0 "[ . 1 . 2]" 1 1219 1 97 ALA MB 1 98 ILE H . . 3.490 2.498 2.234 3.019 . 0 0 "[ . 1 . 2]" 1 1220 1 98 ILE H 1 98 ILE HB . . 3.760 2.564 2.121 2.851 . 0 0 "[ . 1 . 2]" 1 1221 1 98 ILE H 1 98 ILE MG . . 3.570 2.203 1.990 3.599 0.029 14 0 "[ . 1 . 2]" 1 1222 1 98 ILE H 1 99 LYS H . . 3.210 2.702 2.333 3.013 . 0 0 "[ . 1 . 2]" 1 1223 1 98 ILE H 1 99 LYS QB . . 4.590 4.519 4.127 4.678 0.088 1 0 "[ . 1 . 2]" 1 1224 1 98 ILE HA 1 98 ILE MD . . 3.680 3.280 2.019 3.778 0.098 1 0 "[ . 1 . 2]" 1 1225 1 98 ILE HB 1 98 ILE MD . . 3.180 2.401 2.232 3.268 0.088 14 0 "[ . 1 . 2]" 1 1226 1 98 ILE HB 1 99 LYS H . . 3.900 3.897 2.504 3.984 0.084 4 0 "[ . 1 . 2]" 1 1227 1 98 ILE MG 1 99 LYS H . . 4.400 2.235 2.129 2.650 . 0 0 "[ . 1 . 2]" 1 1228 1 98 ILE MG 1 99 LYS HA . . 3.950 3.487 3.075 3.632 . 0 0 "[ . 1 . 2]" 1 1229 1 98 ILE MG 1 100 LYS H . . 5.500 4.578 4.361 4.716 . 0 0 "[ . 1 . 2]" 1 1230 1 99 LYS H 1 99 LYS QB . . 2.800 2.293 2.130 2.404 . 0 0 "[ . 1 . 2]" 1 1231 1 99 LYS H 1 99 LYS QE . . 5.500 4.810 4.350 5.589 0.089 4 0 "[ . 1 . 2]" 1 1232 1 99 LYS H 1 99 LYS HG2 . . 4.440 3.632 2.472 4.553 0.113 20 0 "[ . 1 . 2]" 1 1233 1 99 LYS H 1 99 LYS HG3 . . 4.540 3.765 2.372 4.516 . 0 0 "[ . 1 . 2]" 1 1234 1 99 LYS H 1 100 LYS H . . 3.600 2.911 2.763 3.090 . 0 0 "[ . 1 . 2]" 1 1235 1 99 LYS H 1 101 ARG H . . 5.160 4.400 4.097 4.998 . 0 0 "[ . 1 . 2]" 1 1236 1 99 LYS QB 1 100 LYS H . . 2.950 2.813 2.487 3.069 0.119 12 0 "[ . 1 . 2]" 1 1237 1 100 LYS H 1 100 LYS HB2 . . 3.210 2.758 2.319 3.758 0.548 12 1 "[ . 1 + . 2]" 1 1238 1 100 LYS H 1 100 LYS QD . . 5.010 4.421 3.932 4.824 . 0 0 "[ . 1 . 2]" 1 1239 1 100 LYS H 1 100 LYS QG . . 4.500 3.651 2.120 4.059 . 0 0 "[ . 1 . 2]" 1 1240 1 100 LYS HA 1 100 LYS QG . . 3.530 2.735 2.209 3.614 0.084 10 0 "[ . 1 . 2]" 1 1241 1 100 LYS HB3 1 101 ARG H . . 3.060 2.994 2.346 3.931 0.871 9 3 "[ . +1 * - 2]" 1 1242 1 100 LYS QD 1 101 ARG H . . 4.190 3.515 2.047 4.271 0.081 18 0 "[ . 1 . 2]" 1 1243 1 100 LYS QD 1 101 ARG QD . . 3.470 2.913 2.139 3.473 0.003 18 0 "[ . 1 . 2]" 1 1244 1 100 LYS HG3 1 101 ARG H . . 5.500 4.318 1.883 5.499 . 0 0 "[ . 1 . 2]" 1 1245 1 101 ARG H 1 101 ARG HA . . 2.920 2.898 2.798 2.985 0.065 2 0 "[ . 1 . 2]" 1 1246 1 101 ARG H 1 101 ARG HB3 . . 3.340 3.327 2.613 3.696 0.356 10 0 "[ . 1 . 2]" 1 1247 1 101 ARG H 1 101 ARG QD . . 4.650 3.412 2.636 3.857 . 0 0 "[ . 1 . 2]" 1 1248 1 101 ARG H 1 102 GLN H . . 4.520 2.618 2.097 3.011 . 0 0 "[ . 1 . 2]" 1 1249 1 101 ARG HA 1 102 GLN H . . 3.490 3.511 3.376 3.570 0.080 3 0 "[ . 1 . 2]" 1 1250 1 101 ARG HB2 1 101 ARG QD . . 3.830 2.806 2.208 3.552 . 0 0 "[ . 1 . 2]" 1 1251 1 101 ARG HB3 1 101 ARG QD . . 3.730 3.097 2.419 3.382 . 0 0 "[ . 1 . 2]" 1 1252 1 101 ARG QD 1 102 GLN H . . 5.500 4.874 4.591 5.211 . 0 0 "[ . 1 . 2]" 1 1253 1 102 GLN H 1 102 GLN QB . . 3.190 2.622 2.140 3.013 . 0 0 "[ . 1 . 2]" 1 1254 1 102 GLN H 1 102 GLN HB3 . . 3.550 3.306 2.623 3.898 0.348 1 0 "[ . 1 . 2]" 1 1255 1 102 GLN H 1 102 GLN QG . . 4.330 3.716 2.597 4.249 . 0 0 "[ . 1 . 2]" 1 1256 1 102 GLN HA 1 103 GLU H . . 2.980 2.531 2.127 3.067 0.087 15 0 "[ . 1 . 2]" 1 1257 1 103 GLU H 1 103 GLU QB . . 3.270 2.746 2.010 3.347 0.077 6 0 "[ . 1 . 2]" 1 1258 1 103 GLU H 1 103 GLU HG2 . . 4.420 2.860 1.879 4.483 0.063 9 0 "[ . 1 . 2]" 1 1259 1 103 GLU H 1 103 GLU HG3 . . 3.770 3.295 2.328 4.216 0.446 16 0 "[ . 1 . 2]" 1 1260 1 103 GLU HA 1 104 SER H . . 3.120 2.554 2.138 3.203 0.083 14 0 "[ . 1 . 2]" 1 1261 1 103 GLU QB 1 104 SER H . . 4.200 3.296 1.922 4.103 . 0 0 "[ . 1 . 2]" 1 1262 1 103 GLU HG3 1 104 SER H . . 4.830 4.446 3.240 5.504 0.674 12 1 "[ . 1 + . 2]" 1 1263 1 104 SER H 1 104 SER QB . . 3.840 2.919 2.377 3.542 . 0 0 "[ . 1 . 2]" 1 1264 1 104 SER HA 1 105 GLN QB . . 4.750 4.288 3.674 4.626 . 0 0 "[ . 1 . 2]" 1 1265 1 104 SER QB 1 105 GLN H . . 4.860 3.152 2.040 4.058 . 0 0 "[ . 1 . 2]" 1 1266 1 105 GLN H 1 105 GLN QB . . 3.100 2.625 2.223 3.069 . 0 0 "[ . 1 . 2]" 1 1267 1 105 GLN H 1 105 GLN HG2 . . 4.820 4.020 1.986 5.160 0.340 17 0 "[ . 1 . 2]" 1 1268 1 105 GLN HA 1 106 GLN H . . 3.490 2.666 2.096 3.557 0.067 2 0 "[ . 1 . 2]" 1 1269 1 105 GLN HG2 1 106 GLN H . . 4.720 3.915 1.844 5.529 0.809 17 2 "[ . 1 - + 2]" 1 1270 1 106 GLN H 1 106 GLN HB3 . . 4.140 3.197 2.560 4.109 . 0 0 "[ . 1 . 2]" 1 1271 1 106 GLN QG 1 107 ASN HB2 . . 4.800 4.352 3.060 5.213 0.413 20 0 "[ . 1 . 2]" 1 stop_ save_
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