NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
517969 | 2l1d | 17081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1d 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 2859 _Distance_constraint_stats_list.Viol_count 6175 _Distance_constraint_stats_list.Viol_total 9234.423 _Distance_constraint_stats_list.Viol_max 0.947 _Distance_constraint_stats_list.Viol_rms 0.0320 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0081 _Distance_constraint_stats_list.Viol_average_violations_only 0.0748 _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 1 GLY 1.616 0.117 14 0 "[ . 1 . 2]" 1 2 SER 3.012 0.104 3 0 "[ . 1 . 2]" 1 3 VAL 3.312 0.097 16 0 "[ . 1 . 2]" 1 4 VAL 7.632 0.146 1 0 "[ . 1 . 2]" 1 5 GLY 2.031 0.102 18 0 "[ . 1 . 2]" 1 6 GLY 0.670 0.078 6 0 "[ . 1 . 2]" 1 7 LEU 9.415 0.104 19 0 "[ . 1 . 2]" 1 8 GLY 9.351 0.317 16 0 "[ . 1 . 2]" 1 9 GLY 9.291 0.317 16 0 "[ . 1 . 2]" 1 10 TYR 25.595 0.609 2 7 "[*+* . * - *.* 2]" 1 11 MET 6.882 0.412 1 0 "[ . 1 . 2]" 1 12 LEU 5.289 0.146 1 0 "[ . 1 . 2]" 1 13 GLY 4.171 0.659 9 2 "[ . +1 - 2]" 1 14 SER 7.078 0.147 13 0 "[ . 1 . 2]" 1 15 ALA 6.036 0.173 11 0 "[ . 1 . 2]" 1 16 MET 13.341 0.341 3 0 "[ . 1 . 2]" 1 17 SER 4.666 0.341 3 0 "[ . 1 . 2]" 1 18 ARG 4.466 0.508 8 1 "[ . + 1 . 2]" 1 19 PRO 4.108 0.118 12 0 "[ . 1 . 2]" 1 20 MET 12.924 0.449 13 0 "[ . 1 . 2]" 1 21 ILE 12.531 0.638 1 2 "[+ . 1 -. 2]" 1 22 HIS 6.082 0.122 7 0 "[ . 1 . 2]" 1 23 PHE 9.504 0.408 1 0 "[ . 1 . 2]" 1 24 GLY 1.854 0.079 18 0 "[ . 1 . 2]" 1 25 ASN 7.705 0.309 3 0 "[ . 1 . 2]" 1 26 ASP 2.349 0.091 20 0 "[ . 1 . 2]" 1 27 TRP 14.381 0.309 3 0 "[ . 1 . 2]" 1 28 GLU 10.388 0.101 16 0 "[ . 1 . 2]" 1 29 ASP 2.015 0.099 4 0 "[ . 1 . 2]" 1 30 ARG 9.297 0.109 4 0 "[ . 1 . 2]" 1 31 TYR 9.177 0.628 13 1 "[ . 1 + . 2]" 1 32 TYR 14.570 0.709 4 2 "[ +. 1 . - 2]" 1 33 ARG 5.970 0.122 17 0 "[ . 1 . 2]" 1 34 GLU 5.189 0.093 4 0 "[ . 1 . 2]" 1 35 ASN 10.092 0.709 4 3 "[ +. 1 * . - 2]" 1 36 MET 5.491 0.816 20 1 "[ . 1 . +]" 1 37 TYR 9.121 0.816 20 3 "[ . - * . +]" 1 38 ARG 3.592 0.517 10 1 "[ . + . 2]" 1 39 TYR 6.402 0.809 3 1 "[ + . 1 . 2]" 1 40 PRO 1.335 0.111 12 0 "[ . 1 . 2]" 1 41 ASN 3.252 0.191 1 0 "[ . 1 . 2]" 1 42 GLN 9.603 0.191 1 0 "[ . 1 . 2]" 1 43 VAL 2.480 0.122 18 0 "[ . 1 . 2]" 1 44 TYR 7.813 0.106 10 0 "[ . 1 . 2]" 1 45 TYR 7.474 0.412 1 0 "[ . 1 . 2]" 1 46 ARG 12.121 0.609 2 7 "[*+* . * - *.* 2]" 1 47 PRO 4.327 0.122 11 0 "[ . 1 . 2]" 1 48 VAL 4.203 0.307 19 0 "[ . 1 . 2]" 1 49 ASP 21.779 0.853 11 9 "[ *- * ** *+* . * 2]" 1 50 GLN 19.149 0.853 11 9 "[ *- * ** *+* . * 2]" 1 51 GLY 3.190 0.087 11 0 "[ . 1 . 2]" 1 52 SER 1.824 0.439 3 0 "[ . 1 . 2]" 1 53 ASN 3.899 0.103 3 0 "[ . 1 . 2]" 1 54 GLN 3.831 0.096 4 0 "[ . 1 . 2]" 1 55 ASN 5.790 0.114 19 0 "[ . 1 . 2]" 1 56 ASN 4.595 0.090 7 0 "[ . 1 . 2]" 1 57 PHE 9.065 0.752 3 1 "[ + . 1 . 2]" 1 58 VAL 1.988 0.114 19 0 "[ . 1 . 2]" 1 59 HIS 2.377 0.089 4 0 "[ . 1 . 2]" 1 60 ASP 2.008 0.088 17 0 "[ . 1 . 2]" 1 61 CYS 2.767 0.100 8 0 "[ . 1 . 2]" 1 62 VAL 14.805 0.427 6 0 "[ . 1 . 2]" 1 63 ASN 17.463 0.121 2 0 "[ . 1 . 2]" 1 64 ILE 17.629 0.125 10 0 "[ . 1 . 2]" 1 65 THR 7.971 0.133 20 0 "[ . 1 . 2]" 1 66 ILE 14.370 0.148 6 0 "[ . 1 . 2]" 1 67 LYS 12.115 0.136 17 0 "[ . 1 . 2]" 1 68 GLN 8.571 0.820 16 2 "[ .- 1 .+ 2]" 1 69 HIS 9.128 0.118 20 0 "[ . 1 . 2]" 1 70 THR 6.603 0.141 11 0 "[ . 1 . 2]" 1 71 VAL 16.399 0.820 16 2 "[ .- 1 .+ 2]" 1 72 THR 7.454 0.115 11 0 "[ . 1 . 2]" 1 73 THR 9.228 0.127 19 0 "[ . 1 . 2]" 1 74 THR 3.813 0.128 15 0 "[ . 1 . 2]" 1 75 THR 3.492 0.123 17 0 "[ . 1 . 2]" 1 76 LYS 7.073 0.104 19 0 "[ . 1 . 2]" 1 77 GLY 2.372 0.103 12 0 "[ . 1 . 2]" 1 78 GLU 11.179 0.358 18 0 "[ . 1 . 2]" 1 79 ASN 5.668 0.461 2 0 "[ . 1 . 2]" 1 80 PHE 12.993 0.461 2 0 "[ . 1 . 2]" 1 81 THR 12.869 0.114 6 0 "[ . 1 . 2]" 1 82 GLU 7.809 0.112 4 0 "[ . 1 . 2]" 1 83 THR 5.670 0.133 16 0 "[ . 1 . 2]" 1 84 ASP 0.995 0.076 17 0 "[ . 1 . 2]" 1 85 VAL 7.564 0.292 3 0 "[ . 1 . 2]" 1 86 LYS 6.449 0.262 6 0 "[ . 1 . 2]" 1 87 MET 14.094 0.262 6 0 "[ . 1 . 2]" 1 88 MET 13.328 0.809 3 1 "[ + . 1 . 2]" 1 89 GLU 3.234 0.122 17 0 "[ . 1 . 2]" 1 90 ARG 12.955 0.947 8 4 "[* - . +*1 . 2]" 1 91 VAL 12.773 0.947 8 4 "[ . +*1 *- 2]" 1 92 VAL 5.907 0.415 15 0 "[ . 1 . 2]" 1 93 GLU 4.998 0.511 3 1 "[ + . 1 . 2]" 1 94 GLN 7.681 0.736 14 2 "[ . 1 +* 2]" 1 95 MET 8.008 0.532 15 1 "[ . 1 + 2]" 1 96 CYS 7.699 0.427 6 0 "[ . 1 . 2]" 1 97 VAL 3.974 0.425 19 0 "[ . 1 . 2]" 1 98 THR 10.116 0.532 15 1 "[ . 1 + 2]" 1 99 GLN 9.004 0.659 9 2 "[ . +1 - 2]" 1 100 TYR 8.035 0.752 3 1 "[ + . 1 . 2]" 1 101 GLN 5.237 0.687 19 1 "[ . 1 . +2]" 1 102 LYS 6.018 0.687 19 1 "[ . 1 . +2]" 1 103 GLU 6.936 0.412 20 0 "[ . 1 . 2]" 1 104 SER 2.301 0.088 14 0 "[ . 1 . 2]" 1 105 GLN 5.010 0.099 15 0 "[ . 1 . 2]" 1 106 ALA 5.945 0.122 16 0 "[ . 1 . 2]" 1 107 TYR 16.536 0.203 11 0 "[ . 1 . 2]" 1 108 TYR 13.842 0.135 16 0 "[ . 1 . 2]" 1 109 ASP 3.730 0.105 19 0 "[ . 1 . 2]" 1 110 GLY 6.714 0.107 17 0 "[ . 1 . 2]" 1 111 ARG 11.348 0.107 11 0 "[ . 1 . 2]" 1 112 ARG 7.882 0.111 17 0 "[ . 1 . 2]" 1 113 SER 6.356 0.108 18 0 "[ . 1 . 2]" 1 114 SER 2.271 0.111 17 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 1 GLY QA 1 2 SER H . . 3.060 2.265 2.064 2.490 . 0 0 "[ . 1 . 2]" 1 2 1 1 GLY QA 1 2 SER HA . . 4.060 4.064 3.908 4.126 0.066 17 0 "[ . 1 . 2]" 1 3 1 1 GLY QA 1 4 VAL H . . 5.500 5.384 4.851 5.586 0.086 1 0 "[ . 1 . 2]" 1 4 1 1 GLY QA 1 4 VAL QG . . 5.080 2.728 2.159 3.422 . 0 0 "[ . 1 . 2]" 1 5 1 1 GLY QA 1 11 MET HB3 . . 4.310 3.566 2.329 4.392 0.082 17 0 "[ . 1 . 2]" 1 6 1 1 GLY QA 1 11 MET ME . . 5.300 4.574 3.119 5.417 0.117 14 0 "[ . 1 . 2]" 1 7 1 1 GLY QA 1 12 LEU QD . . 5.500 4.520 3.770 5.270 . 0 0 "[ . 1 . 2]" 1 8 1 2 SER H 1 2 SER QB . . 3.870 3.368 2.781 3.536 . 0 0 "[ . 1 . 2]" 1 9 1 2 SER H 1 3 VAL H . . 3.920 3.853 3.313 4.006 0.086 10 0 "[ . 1 . 2]" 1 10 1 2 SER H 1 4 VAL H . . 4.950 4.640 4.121 5.014 0.064 16 0 "[ . 1 . 2]" 1 11 1 2 SER H 1 4 VAL MG2 . . 5.500 2.829 2.065 3.624 . 0 0 "[ . 1 . 2]" 1 12 1 2 SER H 1 11 MET HB3 . . 5.310 4.667 3.638 5.375 0.065 19 0 "[ . 1 . 2]" 1 13 1 2 SER H 1 12 LEU H . . 4.750 4.370 3.396 4.830 0.080 10 0 "[ . 1 . 2]" 1 14 1 2 SER HA 1 3 VAL H . . 2.700 2.139 2.094 2.207 . 0 0 "[ . 1 . 2]" 1 15 1 2 SER HA 1 3 VAL HA . . 4.380 4.380 4.320 4.449 0.069 19 0 "[ . 1 . 2]" 1 16 1 2 SER HA 1 3 VAL HB . . 5.300 4.713 4.266 5.083 . 0 0 "[ . 1 . 2]" 1 17 1 2 SER HA 1 3 VAL QG . . 4.830 3.608 3.043 4.048 . 0 0 "[ . 1 . 2]" 1 18 1 2 SER HA 1 11 MET ME . . 5.280 2.945 2.150 4.501 . 0 0 "[ . 1 . 2]" 1 19 1 2 SER QB 1 3 VAL H . . 3.460 3.152 2.802 3.536 0.076 15 0 "[ . 1 . 2]" 1 20 1 2 SER QB 1 3 VAL HA . . 5.060 4.868 4.639 5.108 0.048 15 0 "[ . 1 . 2]" 1 21 1 2 SER QB 1 3 VAL HB . . 4.910 4.040 3.326 4.696 . 0 0 "[ . 1 . 2]" 1 22 1 2 SER QB 1 3 VAL QG . . 4.410 2.696 2.150 3.481 . 0 0 "[ . 1 . 2]" 1 23 1 2 SER QB 1 11 MET ME . . 5.020 4.065 2.676 5.124 0.104 3 0 "[ . 1 . 2]" 1 24 1 3 VAL H 1 3 VAL HB . . 3.610 3.085 2.526 3.673 0.063 15 0 "[ . 1 . 2]" 1 25 1 3 VAL H 1 3 VAL QG . . 3.320 2.619 1.967 3.067 . 0 0 "[ . 1 . 2]" 1 26 1 3 VAL H 1 7 LEU HB2 . . 5.500 3.988 3.348 4.806 . 0 0 "[ . 1 . 2]" 1 27 1 3 VAL H 1 11 MET ME . . 4.960 3.871 2.939 4.996 0.036 3 0 "[ . 1 . 2]" 1 28 1 3 VAL HA 1 3 VAL QG . . 3.180 2.289 2.100 2.453 . 0 0 "[ . 1 . 2]" 1 29 1 3 VAL HA 1 4 VAL H . . 2.590 2.427 2.226 2.657 0.067 17 0 "[ . 1 . 2]" 1 30 1 3 VAL HA 1 5 GLY H . . 4.940 4.432 3.690 4.651 . 0 0 "[ . 1 . 2]" 1 31 1 3 VAL HA 1 7 LEU H . . 5.040 3.266 2.694 3.858 . 0 0 "[ . 1 . 2]" 1 32 1 3 VAL HA 1 7 LEU HA . . 4.650 4.623 4.262 4.747 0.097 16 0 "[ . 1 . 2]" 1 33 1 3 VAL HA 1 9 GLY HA2 . . 3.990 3.216 2.908 3.431 . 0 0 "[ . 1 . 2]" 1 34 1 3 VAL HA 1 9 GLY HA3 . . 4.800 4.698 4.346 4.872 0.072 8 0 "[ . 1 . 2]" 1 35 1 3 VAL QG 1 5 GLY H . . 4.850 3.223 2.105 3.684 . 0 0 "[ . 1 . 2]" 1 36 1 3 VAL QG 1 6 GLY H . . 4.740 3.642 2.499 4.770 0.030 6 0 "[ . 1 . 2]" 1 37 1 3 VAL QG 1 6 GLY QA . . 4.360 3.197 2.382 4.198 . 0 0 "[ . 1 . 2]" 1 38 1 3 VAL QG 1 7 LEU H . . 4.750 2.682 2.261 2.962 . 0 0 "[ . 1 . 2]" 1 39 1 3 VAL QG 1 7 LEU HB2 . . 4.740 3.366 2.786 3.808 . 0 0 "[ . 1 . 2]" 1 40 1 3 VAL QG 1 8 GLY H . . 5.500 4.726 4.201 4.942 . 0 0 "[ . 1 . 2]" 1 41 1 3 VAL QG 1 8 GLY HA2 . . 5.500 3.983 3.402 4.425 . 0 0 "[ . 1 . 2]" 1 42 1 3 VAL QG 1 8 GLY HA3 . . 5.500 5.073 4.416 5.452 . 0 0 "[ . 1 . 2]" 1 43 1 3 VAL QG 1 9 GLY H . . 5.500 2.968 2.161 3.589 . 0 0 "[ . 1 . 2]" 1 44 1 3 VAL QG 1 10 TYR H . . 5.500 4.327 3.625 4.737 . 0 0 "[ . 1 . 2]" 1 45 1 4 VAL H 1 4 VAL HB . . 3.040 2.667 2.555 2.853 . 0 0 "[ . 1 . 2]" 1 46 1 4 VAL H 1 4 VAL QG . . 3.230 1.996 1.843 2.171 . 0 0 "[ . 1 . 2]" 1 47 1 4 VAL H 1 4 VAL MG2 . . 3.310 2.003 1.847 2.183 . 0 0 "[ . 1 . 2]" 1 48 1 4 VAL H 1 5 GLY H . . 3.820 3.781 3.201 3.897 0.077 19 0 "[ . 1 . 2]" 1 49 1 4 VAL H 1 7 LEU HA . . 5.130 5.127 4.890 5.199 0.069 4 0 "[ . 1 . 2]" 1 50 1 4 VAL H 1 7 LEU HB2 . . 5.460 2.210 1.937 2.387 . 0 0 "[ . 1 . 2]" 1 51 1 4 VAL H 1 7 LEU HB3 . . 5.310 3.520 3.163 3.919 . 0 0 "[ . 1 . 2]" 1 52 1 4 VAL H 1 7 LEU QD . . 5.370 2.496 1.985 3.395 . 0 0 "[ . 1 . 2]" 1 53 1 4 VAL H 1 9 GLY H . . 4.270 4.346 4.311 4.361 0.091 16 0 "[ . 1 . 2]" 1 54 1 4 VAL H 1 10 TYR H . . 5.500 4.162 3.474 5.272 . 0 0 "[ . 1 . 2]" 1 55 1 4 VAL H 1 44 TYR QD . . 5.340 4.860 4.521 5.265 . 0 0 "[ . 1 . 2]" 1 56 1 4 VAL HA 1 4 VAL QG . . 3.050 2.129 2.079 2.230 . 0 0 "[ . 1 . 2]" 1 57 1 4 VAL HA 1 5 GLY H . . 2.620 2.458 2.218 2.703 0.083 11 0 "[ . 1 . 2]" 1 58 1 4 VAL HA 1 7 LEU QD . . 5.500 4.065 3.793 4.463 . 0 0 "[ . 1 . 2]" 1 59 1 4 VAL HA 1 44 TYR QE . . 5.500 5.100 4.734 5.577 0.077 15 0 "[ . 1 . 2]" 1 60 1 4 VAL HB 1 5 GLY H . . 4.590 4.473 4.284 4.559 . 0 0 "[ . 1 . 2]" 1 61 1 4 VAL HB 1 5 GLY QA . . 4.720 4.765 4.631 4.822 0.102 18 0 "[ . 1 . 2]" 1 62 1 4 VAL HB 1 7 LEU H . . 5.500 5.064 4.174 5.553 0.053 10 0 "[ . 1 . 2]" 1 63 1 4 VAL HB 1 7 LEU HB2 . . 4.880 3.905 2.960 4.205 . 0 0 "[ . 1 . 2]" 1 64 1 4 VAL HB 1 7 LEU HB3 . . 4.780 4.748 4.126 4.865 0.085 13 0 "[ . 1 . 2]" 1 65 1 4 VAL HB 1 7 LEU QD . . 4.650 2.224 1.961 3.215 . 0 0 "[ . 1 . 2]" 1 66 1 4 VAL HB 1 44 TYR QE . . 5.080 2.709 2.168 3.568 . 0 0 "[ . 1 . 2]" 1 67 1 4 VAL QG 1 5 GLY H . . 3.820 3.674 3.490 3.831 0.011 11 0 "[ . 1 . 2]" 1 68 1 4 VAL QG 1 7 LEU HB2 . . 4.820 3.621 3.003 3.900 . 0 0 "[ . 1 . 2]" 1 69 1 4 VAL QG 1 7 LEU HB3 . . 4.770 4.315 3.616 4.742 . 0 0 "[ . 1 . 2]" 1 70 1 4 VAL QG 1 7 LEU QD . . 3.490 2.522 2.051 3.417 . 0 0 "[ . 1 . 2]" 1 71 1 4 VAL QG 1 7 LEU HG . . 3.700 3.655 2.863 3.804 0.104 19 0 "[ . 1 . 2]" 1 72 1 4 VAL QG 1 11 MET HA . . 4.420 3.070 2.214 4.131 . 0 0 "[ . 1 . 2]" 1 73 1 4 VAL QG 1 12 LEU HB3 . . 3.760 2.786 2.200 3.866 0.106 18 0 "[ . 1 . 2]" 1 74 1 4 VAL QG 1 12 LEU HG . . 3.770 3.382 2.538 3.916 0.146 1 0 "[ . 1 . 2]" 1 75 1 4 VAL QG 1 44 TYR QD . . 5.390 2.963 2.489 3.482 . 0 0 "[ . 1 . 2]" 1 76 1 4 VAL QG 1 44 TYR QE . . 4.700 2.175 1.936 2.483 . 0 0 "[ . 1 . 2]" 1 77 1 4 VAL MG1 1 44 TYR QE . . 3.140 2.268 2.130 2.822 . 0 0 "[ . 1 . 2]" 1 78 1 5 GLY H 1 5 GLY QA . . 2.740 2.300 2.205 2.371 . 0 0 "[ . 1 . 2]" 1 79 1 5 GLY QA 1 7 LEU HB2 . . 5.500 5.150 4.642 5.479 . 0 0 "[ . 1 . 2]" 1 80 1 5 GLY QA 1 7 LEU QD . . 5.470 3.844 2.507 5.060 . 0 0 "[ . 1 . 2]" 1 81 1 5 GLY QA 1 7 LEU HG . . 4.990 4.145 3.277 5.078 0.088 11 0 "[ . 1 . 2]" 1 82 1 6 GLY H 1 6 GLY QA . . 2.560 2.230 2.187 2.353 . 0 0 "[ . 1 . 2]" 1 83 1 6 GLY H 1 7 LEU H . . 3.120 2.903 2.602 3.198 0.078 6 0 "[ . 1 . 2]" 1 84 1 6 GLY H 1 7 LEU HB2 . . 5.490 4.945 4.554 5.369 . 0 0 "[ . 1 . 2]" 1 85 1 6 GLY QA 1 7 LEU H . . 2.970 2.820 2.624 3.029 0.059 11 0 "[ . 1 . 2]" 1 86 1 6 GLY QA 1 7 LEU QD . . 4.990 3.938 3.249 4.405 . 0 0 "[ . 1 . 2]" 1 87 1 7 LEU H 1 7 LEU HB2 . . 3.000 2.448 2.199 2.688 . 0 0 "[ . 1 . 2]" 1 88 1 7 LEU H 1 7 LEU HB3 . . 3.560 3.589 3.486 3.645 0.085 18 0 "[ . 1 . 2]" 1 89 1 7 LEU H 1 7 LEU QD . . 4.380 3.022 2.122 3.641 . 0 0 "[ . 1 . 2]" 1 90 1 7 LEU H 1 7 LEU HG . . 3.710 2.819 2.051 3.795 0.085 17 0 "[ . 1 . 2]" 1 91 1 7 LEU H 1 9 GLY H . . 4.330 4.340 4.117 4.419 0.089 11 0 "[ . 1 . 2]" 1 92 1 7 LEU H 1 10 TYR QD . . 5.500 5.251 5.066 5.380 . 0 0 "[ . 1 . 2]" 1 93 1 7 LEU HA 1 7 LEU QD . . 3.090 2.095 1.980 2.182 . 0 0 "[ . 1 . 2]" 1 94 1 7 LEU HA 1 7 LEU HG . . 4.130 3.312 2.976 3.768 . 0 0 "[ . 1 . 2]" 1 95 1 7 LEU HA 1 8 GLY H . . 2.980 2.322 2.097 2.431 . 0 0 "[ . 1 . 2]" 1 96 1 7 LEU HA 1 8 GLY HA2 . . 5.100 4.330 4.172 4.425 . 0 0 "[ . 1 . 2]" 1 97 1 7 LEU HA 1 8 GLY HA3 . . 5.100 4.395 4.218 4.478 . 0 0 "[ . 1 . 2]" 1 98 1 7 LEU HA 1 9 GLY H . . 4.420 4.095 3.833 4.262 . 0 0 "[ . 1 . 2]" 1 99 1 7 LEU HA 1 10 TYR H . . 4.740 4.593 4.247 4.825 0.085 8 0 "[ . 1 . 2]" 1 100 1 7 LEU HA 1 10 TYR HB2 . . 4.630 4.485 4.246 4.701 0.071 8 0 "[ . 1 . 2]" 1 101 1 7 LEU HA 1 10 TYR QD . . 3.410 3.296 2.755 3.509 0.099 13 0 "[ . 1 . 2]" 1 102 1 7 LEU HA 1 10 TYR QE . . 4.420 4.228 3.706 4.519 0.099 2 0 "[ . 1 . 2]" 1 103 1 7 LEU HA 1 64 ILE MD . . 5.500 4.074 3.563 4.687 . 0 0 "[ . 1 . 2]" 1 104 1 7 LEU HA 1 64 ILE MG . . 5.400 4.547 4.229 4.934 . 0 0 "[ . 1 . 2]" 1 105 1 7 LEU HB2 1 8 GLY H . . 4.130 3.814 3.483 4.188 0.058 12 0 "[ . 1 . 2]" 1 106 1 7 LEU HB2 1 9 GLY H . . 5.500 3.048 2.753 3.746 . 0 0 "[ . 1 . 2]" 1 107 1 7 LEU HB2 1 10 TYR H . . 4.940 3.236 2.567 3.993 . 0 0 "[ . 1 . 2]" 1 108 1 7 LEU HB2 1 10 TYR HB2 . . 4.440 3.259 2.845 3.710 . 0 0 "[ . 1 . 2]" 1 109 1 7 LEU HB2 1 10 TYR HB3 . . 5.500 4.945 4.522 5.434 . 0 0 "[ . 1 . 2]" 1 110 1 7 LEU HB2 1 10 TYR QD . . 3.700 3.631 3.174 3.784 0.084 19 0 "[ . 1 . 2]" 1 111 1 7 LEU HB2 1 44 TYR QD . . 5.500 5.424 5.030 5.594 0.094 17 0 "[ . 1 . 2]" 1 112 1 7 LEU HB3 1 8 GLY H . . 4.180 2.670 2.388 3.055 . 0 0 "[ . 1 . 2]" 1 113 1 7 LEU HB3 1 8 GLY HA2 . . 5.500 4.834 4.659 5.016 . 0 0 "[ . 1 . 2]" 1 114 1 7 LEU HB3 1 9 GLY H . . 5.500 3.018 2.584 3.454 . 0 0 "[ . 1 . 2]" 1 115 1 7 LEU HB3 1 10 TYR H . . 4.710 2.564 2.079 3.070 . 0 0 "[ . 1 . 2]" 1 116 1 7 LEU HB3 1 10 TYR HB2 . . 4.880 2.190 2.069 2.482 . 0 0 "[ . 1 . 2]" 1 117 1 7 LEU HB3 1 10 TYR HB3 . . 5.090 3.879 3.750 4.165 . 0 0 "[ . 1 . 2]" 1 118 1 7 LEU HB3 1 10 TYR QD . . 3.780 2.094 2.004 2.193 . 0 0 "[ . 1 . 2]" 1 119 1 7 LEU HB3 1 44 TYR QD . . 5.500 5.190 4.708 5.491 . 0 0 "[ . 1 . 2]" 1 120 1 7 LEU QD 1 8 GLY H . . 4.580 3.320 3.042 3.652 . 0 0 "[ . 1 . 2]" 1 121 1 7 LEU QD 1 9 GLY H . . 5.500 4.192 4.023 4.391 . 0 0 "[ . 1 . 2]" 1 122 1 7 LEU QD 1 10 TYR H . . 5.230 3.509 3.287 3.795 . 0 0 "[ . 1 . 2]" 1 123 1 7 LEU QD 1 10 TYR HB2 . . 4.400 2.065 1.975 2.300 . 0 0 "[ . 1 . 2]" 1 124 1 7 LEU QD 1 10 TYR HB3 . . 4.920 2.837 2.662 3.099 . 0 0 "[ . 1 . 2]" 1 125 1 7 LEU QD 1 10 TYR QD . . 3.800 2.850 2.335 3.243 . 0 0 "[ . 1 . 2]" 1 126 1 7 LEU QD 1 10 TYR QE . . 4.630 3.869 3.094 4.343 . 0 0 "[ . 1 . 2]" 1 127 1 7 LEU QD 1 44 TYR HB3 . . 5.500 2.845 2.522 3.472 . 0 0 "[ . 1 . 2]" 1 128 1 7 LEU QD 1 44 TYR QD . . 4.510 2.464 2.050 3.651 . 0 0 "[ . 1 . 2]" 1 129 1 7 LEU QD 1 64 ILE MD . . 3.940 2.608 2.191 3.290 . 0 0 "[ . 1 . 2]" 1 130 1 7 LEU QD 1 64 ILE MG . . 3.310 2.040 1.852 2.484 . 0 0 "[ . 1 . 2]" 1 131 1 7 LEU QD 1 68 GLN HA . . 5.500 4.623 4.120 5.134 . 0 0 "[ . 1 . 2]" 1 132 1 7 LEU QD 1 68 GLN HE21 . . 5.500 3.431 2.864 3.991 . 0 0 "[ . 1 . 2]" 1 133 1 7 LEU QD 1 68 GLN HE22 . . 5.500 3.310 2.912 3.803 . 0 0 "[ . 1 . 2]" 1 134 1 7 LEU QD 1 68 GLN HG2 . . 4.520 2.831 2.463 3.349 . 0 0 "[ . 1 . 2]" 1 135 1 7 LEU QD 1 68 GLN HG3 . . 5.430 2.135 1.977 2.493 . 0 0 "[ . 1 . 2]" 1 136 1 7 LEU HG 1 8 GLY H . . 5.050 4.985 4.839 5.111 0.061 10 0 "[ . 1 . 2]" 1 137 1 7 LEU HG 1 10 TYR H . . 5.500 5.052 3.907 5.579 0.079 11 0 "[ . 1 . 2]" 1 138 1 7 LEU HG 1 10 TYR HB2 . . 5.310 4.016 2.457 4.550 . 0 0 "[ . 1 . 2]" 1 139 1 7 LEU HG 1 10 TYR QD . . 4.920 4.711 4.090 5.007 0.087 9 0 "[ . 1 . 2]" 1 140 1 8 GLY H 1 8 GLY HA2 . . 2.910 2.899 2.793 2.939 0.029 8 0 "[ . 1 . 2]" 1 141 1 8 GLY H 1 9 GLY H . . 3.210 3.107 2.908 3.232 0.022 17 0 "[ . 1 . 2]" 1 142 1 8 GLY H 1 9 GLY HA3 . . 5.500 5.340 5.022 5.541 0.041 4 0 "[ . 1 . 2]" 1 143 1 8 GLY H 1 10 TYR H . . 5.070 3.479 3.132 3.925 . 0 0 "[ . 1 . 2]" 1 144 1 8 GLY H 1 10 TYR HA . . 5.500 5.582 5.560 5.592 0.092 15 0 "[ . 1 . 2]" 1 145 1 8 GLY H 1 10 TYR QD . . 3.680 1.917 1.819 2.097 . 0 0 "[ . 1 . 2]" 1 146 1 8 GLY H 1 10 TYR QE . . 4.190 2.435 2.124 2.739 . 0 0 "[ . 1 . 2]" 1 147 1 8 GLY HA2 1 10 TYR H . . 4.720 4.678 4.332 5.018 0.298 18 0 "[ . 1 . 2]" 1 148 1 8 GLY HA2 1 10 TYR QD . . 5.280 4.294 4.026 4.583 . 0 0 "[ . 1 . 2]" 1 149 1 8 GLY HA2 1 10 TYR QE . . 4.580 4.438 3.953 4.771 0.191 11 0 "[ . 1 . 2]" 1 150 1 8 GLY HA3 1 9 GLY H . . 3.320 3.560 3.401 3.637 0.317 16 0 "[ . 1 . 2]" 1 151 1 8 GLY HA3 1 10 TYR H . . 4.960 4.368 3.933 4.793 . 0 0 "[ . 1 . 2]" 1 152 1 8 GLY HA3 1 10 TYR QD . . 4.770 3.443 3.211 3.665 . 0 0 "[ . 1 . 2]" 1 153 1 8 GLY HA3 1 10 TYR QE . . 4.690 2.928 2.344 3.410 . 0 0 "[ . 1 . 2]" 1 154 1 9 GLY H 1 9 GLY HA2 . . 2.850 2.394 2.320 2.570 . 0 0 "[ . 1 . 2]" 1 155 1 9 GLY H 1 10 TYR H . . 3.330 2.188 2.011 2.415 . 0 0 "[ . 1 . 2]" 1 156 1 9 GLY H 1 10 TYR HA . . 5.490 4.884 4.775 5.047 . 0 0 "[ . 1 . 2]" 1 157 1 9 GLY H 1 10 TYR HB2 . . 5.060 4.119 4.011 4.227 . 0 0 "[ . 1 . 2]" 1 158 1 9 GLY H 1 10 TYR HB3 . . 5.500 5.571 5.456 5.592 0.092 15 0 "[ . 1 . 2]" 1 159 1 9 GLY H 1 10 TYR QD . . 4.160 3.219 2.773 3.647 . 0 0 "[ . 1 . 2]" 1 160 1 9 GLY H 1 10 TYR QE . . 5.190 4.902 4.386 5.232 0.042 12 0 "[ . 1 . 2]" 1 161 1 9 GLY HA2 1 10 TYR QD . . 5.500 4.912 4.258 5.451 . 0 0 "[ . 1 . 2]" 1 162 1 9 GLY HA2 1 11 MET ME . . 4.430 3.734 2.835 4.399 . 0 0 "[ . 1 . 2]" 1 163 1 9 GLY HA3 1 10 TYR QD . . 5.500 4.928 4.308 5.384 . 0 0 "[ . 1 . 2]" 1 164 1 10 TYR H 1 10 TYR HB2 . . 3.310 2.391 2.171 2.637 . 0 0 "[ . 1 . 2]" 1 165 1 10 TYR H 1 10 TYR HB3 . . 3.670 3.554 3.458 3.622 . 0 0 "[ . 1 . 2]" 1 166 1 10 TYR H 1 10 TYR QD . . 3.040 2.356 1.877 2.921 . 0 0 "[ . 1 . 2]" 1 167 1 10 TYR H 1 11 MET H . . 4.860 4.503 4.329 4.642 . 0 0 "[ . 1 . 2]" 1 168 1 10 TYR H 1 64 ILE MG . . 5.500 5.299 4.960 5.575 0.075 17 0 "[ . 1 . 2]" 1 169 1 10 TYR HA 1 10 TYR QD . . 3.240 2.999 2.545 3.244 0.004 9 0 "[ . 1 . 2]" 1 170 1 10 TYR HA 1 10 TYR QE . . 5.050 4.586 4.148 4.772 . 0 0 "[ . 1 . 2]" 1 171 1 10 TYR HA 1 11 MET H . . 3.160 2.361 2.172 2.542 . 0 0 "[ . 1 . 2]" 1 172 1 10 TYR HA 1 11 MET HB2 . . 5.500 4.803 4.509 5.345 . 0 0 "[ . 1 . 2]" 1 173 1 10 TYR HA 1 11 MET QG . . 5.500 3.870 3.417 4.563 . 0 0 "[ . 1 . 2]" 1 174 1 10 TYR HA 1 45 TYR H . . 4.560 4.488 4.110 4.633 0.073 9 0 "[ . 1 . 2]" 1 175 1 10 TYR HA 1 46 ARG HA . . 2.500 2.495 2.215 2.607 0.107 14 0 "[ . 1 . 2]" 1 176 1 10 TYR HA 1 46 ARG HB2 . . 5.210 4.951 4.221 5.268 0.058 17 0 "[ . 1 . 2]" 1 177 1 10 TYR HA 1 46 ARG HB3 . . 5.360 4.691 4.183 5.034 . 0 0 "[ . 1 . 2]" 1 178 1 10 TYR HA 1 46 ARG QD . . 5.260 3.078 2.119 4.598 . 0 0 "[ . 1 . 2]" 1 179 1 10 TYR HA 1 46 ARG HG2 . . 4.870 3.519 2.193 3.974 . 0 0 "[ . 1 . 2]" 1 180 1 10 TYR HA 1 46 ARG HG3 . . 4.830 4.053 2.119 4.926 0.096 6 0 "[ . 1 . 2]" 1 181 1 10 TYR HB2 1 11 MET H . . 4.190 3.694 3.345 4.008 . 0 0 "[ . 1 . 2]" 1 182 1 10 TYR HB2 1 11 MET ME . . 5.210 4.698 4.265 4.967 . 0 0 "[ . 1 . 2]" 1 183 1 10 TYR HB2 1 44 TYR QD . . 4.130 3.988 3.595 4.209 0.079 15 0 "[ . 1 . 2]" 1 184 1 10 TYR HB2 1 45 TYR H . . 5.230 4.828 4.423 5.286 0.056 3 0 "[ . 1 . 2]" 1 185 1 10 TYR HB2 1 64 ILE MG . . 4.490 3.506 3.079 3.830 . 0 0 "[ . 1 . 2]" 1 186 1 10 TYR HB3 1 11 MET H . . 4.010 2.497 2.033 2.931 . 0 0 "[ . 1 . 2]" 1 187 1 10 TYR HB3 1 11 MET ME . . 4.560 4.445 3.936 4.669 0.109 9 0 "[ . 1 . 2]" 1 188 1 10 TYR HB3 1 44 TYR HA . . 5.360 4.297 4.025 4.465 . 0 0 "[ . 1 . 2]" 1 189 1 10 TYR HB3 1 44 TYR QD . . 4.000 3.761 3.209 4.062 0.062 20 0 "[ . 1 . 2]" 1 190 1 10 TYR HB3 1 45 TYR H . . 4.850 3.173 2.799 3.588 . 0 0 "[ . 1 . 2]" 1 191 1 10 TYR HB3 1 64 ILE MG . . 4.420 3.339 3.039 3.701 . 0 0 "[ . 1 . 2]" 1 192 1 10 TYR QD 1 11 MET H . . 3.760 3.685 3.287 3.857 0.097 11 0 "[ . 1 . 2]" 1 193 1 10 TYR QD 1 11 MET ME . . 5.060 4.749 4.016 5.190 0.130 12 0 "[ . 1 . 2]" 1 194 1 10 TYR QD 1 44 TYR HA . . 5.440 5.065 4.736 5.418 . 0 0 "[ . 1 . 2]" 1 195 1 10 TYR QD 1 44 TYR HB3 . . 5.360 3.691 2.998 4.059 . 0 0 "[ . 1 . 2]" 1 196 1 10 TYR QD 1 45 TYR H . . 4.700 3.536 3.046 3.789 . 0 0 "[ . 1 . 2]" 1 197 1 10 TYR QD 1 45 TYR HA . . 3.510 2.876 2.650 3.040 . 0 0 "[ . 1 . 2]" 1 198 1 10 TYR QD 1 46 ARG H . . 4.270 3.497 3.040 3.985 . 0 0 "[ . 1 . 2]" 1 199 1 10 TYR QD 1 46 ARG HB3 . . 5.500 5.031 4.444 5.333 . 0 0 "[ . 1 . 2]" 1 200 1 10 TYR QD 1 46 ARG HG2 . . 4.020 3.249 2.537 4.336 0.316 3 0 "[ . 1 . 2]" 1 201 1 10 TYR QD 1 46 ARG HG3 . . 4.280 3.739 2.467 4.383 0.103 17 0 "[ . 1 . 2]" 1 202 1 10 TYR QD 1 64 ILE HB . . 5.090 4.226 3.990 4.518 . 0 0 "[ . 1 . 2]" 1 203 1 10 TYR QD 1 64 ILE MD . . 4.280 3.532 2.661 4.002 . 0 0 "[ . 1 . 2]" 1 204 1 10 TYR QD 1 64 ILE QG . . 4.120 3.169 2.852 3.659 . 0 0 "[ . 1 . 2]" 1 205 1 10 TYR QD 1 64 ILE MG . . 3.260 3.166 2.876 3.369 0.109 6 0 "[ . 1 . 2]" 1 206 1 10 TYR QE 1 45 TYR HA . . 3.810 3.883 3.712 3.908 0.098 5 0 "[ . 1 . 2]" 1 207 1 10 TYR QE 1 46 ARG H . . 4.390 4.017 3.478 4.463 0.073 10 0 "[ . 1 . 2]" 1 208 1 10 TYR QE 1 46 ARG HB2 . . 5.230 3.996 2.186 5.026 . 0 0 "[ . 1 . 2]" 1 209 1 10 TYR QE 1 46 ARG HB3 . . 5.410 5.021 3.835 5.480 0.070 15 0 "[ . 1 . 2]" 1 210 1 10 TYR QE 1 46 ARG QD . . 4.800 3.043 2.156 3.538 . 0 0 "[ . 1 . 2]" 1 211 1 10 TYR QE 1 46 ARG HE . . 3.740 3.171 2.206 3.604 . 0 0 "[ . 1 . 2]" 1 212 1 10 TYR QE 1 46 ARG HG2 . . 3.680 3.143 2.267 4.289 0.609 2 7 "[*+* . * - *.* 2]" 1 213 1 10 TYR QE 1 46 ARG HG3 . . 4.170 3.359 2.847 3.816 . 0 0 "[ . 1 . 2]" 1 214 1 10 TYR QE 1 60 ASP QB . . 3.370 2.748 2.169 3.373 0.003 3 0 "[ . 1 . 2]" 1 215 1 10 TYR QE 1 61 CYS H . . 5.160 5.079 4.573 5.260 0.100 8 0 "[ . 1 . 2]" 1 216 1 10 TYR QE 1 64 ILE HA . . 5.500 5.587 5.497 5.611 0.111 16 0 "[ . 1 . 2]" 1 217 1 10 TYR QE 1 64 ILE HB . . 4.600 4.211 3.674 4.676 0.076 2 0 "[ . 1 . 2]" 1 218 1 10 TYR QE 1 64 ILE MD . . 4.270 2.786 2.289 3.350 . 0 0 "[ . 1 . 2]" 1 219 1 10 TYR QE 1 64 ILE QG . . 3.510 2.536 2.157 2.928 . 0 0 "[ . 1 . 2]" 1 220 1 10 TYR QE 1 64 ILE MG . . 3.980 3.819 3.448 4.056 0.076 9 0 "[ . 1 . 2]" 1 221 1 11 MET H 1 11 MET HB2 . . 3.840 2.622 2.385 3.137 . 0 0 "[ . 1 . 2]" 1 222 1 11 MET H 1 11 MET ME . . 4.630 3.003 2.388 3.540 . 0 0 "[ . 1 . 2]" 1 223 1 11 MET H 1 11 MET HG2 . . 4.090 2.936 2.185 4.061 . 0 0 "[ . 1 . 2]" 1 224 1 11 MET H 1 11 MET QG . . 3.860 2.754 2.169 3.538 . 0 0 "[ . 1 . 2]" 1 225 1 11 MET H 1 12 LEU H . . 5.260 4.444 4.263 4.551 . 0 0 "[ . 1 . 2]" 1 226 1 11 MET H 1 44 TYR HA . . 5.040 4.503 4.083 4.852 . 0 0 "[ . 1 . 2]" 1 227 1 11 MET H 1 45 TYR H . . 3.950 2.800 2.616 3.159 . 0 0 "[ . 1 . 2]" 1 228 1 11 MET H 1 45 TYR QE . . 5.150 4.823 4.601 5.041 . 0 0 "[ . 1 . 2]" 1 229 1 11 MET H 1 46 ARG HA . . 4.980 3.270 2.966 3.553 . 0 0 "[ . 1 . 2]" 1 230 1 11 MET H 1 46 ARG HG2 . . 5.500 5.084 4.180 5.555 0.055 7 0 "[ . 1 . 2]" 1 231 1 11 MET H 1 47 PRO HD3 . . 5.500 4.332 3.595 4.902 . 0 0 "[ . 1 . 2]" 1 232 1 11 MET H 1 64 ILE MG . . 5.500 5.381 4.946 5.592 0.092 12 0 "[ . 1 . 2]" 1 233 1 11 MET HA 1 11 MET ME . . 3.810 3.310 2.429 3.883 0.073 3 0 "[ . 1 . 2]" 1 234 1 11 MET HA 1 11 MET QG . . 3.500 3.126 2.737 3.443 . 0 0 "[ . 1 . 2]" 1 235 1 11 MET HA 1 12 LEU H . . 2.940 2.462 2.073 2.573 . 0 0 "[ . 1 . 2]" 1 236 1 11 MET HA 1 12 LEU HB3 . . 4.850 4.449 4.156 4.649 . 0 0 "[ . 1 . 2]" 1 237 1 11 MET HB2 1 11 MET ME . . 4.790 3.926 3.690 4.111 . 0 0 "[ . 1 . 2]" 1 238 1 11 MET HB2 1 12 LEU H . . 4.230 3.370 2.937 3.703 . 0 0 "[ . 1 . 2]" 1 239 1 11 MET HB2 1 45 TYR H . . 4.910 3.345 2.979 3.983 . 0 0 "[ . 1 . 2]" 1 240 1 11 MET HB2 1 45 TYR QD . . 5.500 3.392 2.898 3.804 . 0 0 "[ . 1 . 2]" 1 241 1 11 MET HB2 1 45 TYR QE . . 3.960 2.972 2.777 3.151 . 0 0 "[ . 1 . 2]" 1 242 1 11 MET HB3 1 11 MET ME . . 4.510 4.015 3.801 4.137 . 0 0 "[ . 1 . 2]" 1 243 1 11 MET HB3 1 12 LEU H . . 3.760 2.516 2.171 3.400 . 0 0 "[ . 1 . 2]" 1 244 1 11 MET HB3 1 45 TYR H . . 5.450 4.802 4.402 5.375 . 0 0 "[ . 1 . 2]" 1 245 1 11 MET HB3 1 45 TYR QD . . 5.500 4.675 4.144 5.148 . 0 0 "[ . 1 . 2]" 1 246 1 11 MET HB3 1 45 TYR QE . . 4.000 3.599 3.022 4.065 0.065 3 0 "[ . 1 . 2]" 1 247 1 11 MET ME 1 11 MET QG . . 2.770 2.123 1.975 2.257 . 0 0 "[ . 1 . 2]" 1 248 1 11 MET ME 1 12 LEU H . . 5.420 5.271 4.636 5.531 0.111 2 0 "[ . 1 . 2]" 1 249 1 11 MET ME 1 45 TYR QD . . 5.140 4.893 3.769 5.250 0.110 4 0 "[ . 1 . 2]" 1 250 1 11 MET ME 1 46 ARG QD . . 4.880 4.075 3.141 4.502 . 0 0 "[ . 1 . 2]" 1 251 1 11 MET ME 1 47 PRO HB3 . . 3.740 3.471 2.588 3.841 0.101 10 0 "[ . 1 . 2]" 1 252 1 11 MET ME 1 47 PRO HD2 . . 4.770 3.353 2.484 3.989 . 0 0 "[ . 1 . 2]" 1 253 1 11 MET ME 1 47 PRO HD3 . . 4.000 2.128 1.762 2.602 . 0 0 "[ . 1 . 2]" 1 254 1 11 MET QG 1 45 TYR H . . 5.500 4.550 3.807 5.228 . 0 0 "[ . 1 . 2]" 1 255 1 11 MET QG 1 45 TYR QD . . 5.500 3.479 2.815 4.354 . 0 0 "[ . 1 . 2]" 1 256 1 11 MET QG 1 45 TYR QE . . 5.010 2.693 2.230 3.157 . 0 0 "[ . 1 . 2]" 1 257 1 11 MET QG 1 47 PRO HD2 . . 4.980 4.586 3.802 5.102 0.122 11 0 "[ . 1 . 2]" 1 258 1 11 MET QG 1 47 PRO HD3 . . 4.040 3.138 2.436 3.917 . 0 0 "[ . 1 . 2]" 1 259 1 11 MET HG3 1 45 TYR QE . . 4.270 3.189 2.256 4.682 0.412 1 0 "[ . 1 . 2]" 1 260 1 12 LEU H 1 12 LEU HB2 . . 3.320 3.108 2.590 3.292 . 0 0 "[ . 1 . 2]" 1 261 1 12 LEU H 1 12 LEU HB3 . . 3.130 2.507 2.394 2.599 . 0 0 "[ . 1 . 2]" 1 262 1 12 LEU H 1 12 LEU QD . . 4.330 3.726 3.587 3.953 . 0 0 "[ . 1 . 2]" 1 263 1 12 LEU H 1 12 LEU HG . . 4.840 4.667 4.087 4.916 0.076 12 0 "[ . 1 . 2]" 1 264 1 12 LEU H 1 13 GLY H . . 5.070 4.228 4.052 4.444 . 0 0 "[ . 1 . 2]" 1 265 1 12 LEU H 1 44 TYR HA . . 5.360 4.720 4.581 4.918 . 0 0 "[ . 1 . 2]" 1 266 1 12 LEU H 1 44 TYR QD . . 4.690 4.596 4.310 4.784 0.094 3 0 "[ . 1 . 2]" 1 267 1 12 LEU H 1 44 TYR QE . . 5.500 5.527 5.130 5.591 0.091 1 0 "[ . 1 . 2]" 1 268 1 12 LEU H 1 45 TYR QE . . 5.230 4.503 3.767 5.302 0.072 3 0 "[ . 1 . 2]" 1 269 1 12 LEU HA 1 12 LEU QD . . 3.280 2.245 2.110 2.364 . 0 0 "[ . 1 . 2]" 1 270 1 12 LEU HA 1 13 GLY H . . 3.320 2.135 2.068 2.238 . 0 0 "[ . 1 . 2]" 1 271 1 12 LEU HA 1 13 GLY HA2 . . 5.010 4.479 4.387 4.620 . 0 0 "[ . 1 . 2]" 1 272 1 12 LEU HA 1 43 VAL H . . 4.650 4.595 4.310 4.735 0.085 18 0 "[ . 1 . 2]" 1 273 1 12 LEU HA 1 44 TYR H . . 5.500 4.844 4.567 5.084 . 0 0 "[ . 1 . 2]" 1 274 1 12 LEU HA 1 44 TYR HA . . 3.770 2.396 2.020 2.811 . 0 0 "[ . 1 . 2]" 1 275 1 12 LEU HA 1 44 TYR HB3 . . 5.500 4.132 3.884 4.638 . 0 0 "[ . 1 . 2]" 1 276 1 12 LEU HA 1 44 TYR QD . . 4.490 3.144 2.856 3.834 . 0 0 "[ . 1 . 2]" 1 277 1 12 LEU HA 1 44 TYR QE . . 4.970 4.190 3.816 4.712 . 0 0 "[ . 1 . 2]" 1 278 1 12 LEU HA 1 45 TYR H . . 5.190 3.891 3.438 4.368 . 0 0 "[ . 1 . 2]" 1 279 1 12 LEU HA 1 45 TYR QD . . 5.260 4.310 3.640 4.654 . 0 0 "[ . 1 . 2]" 1 280 1 12 LEU HB2 1 12 LEU QD . . 3.270 2.351 2.123 2.535 . 0 0 "[ . 1 . 2]" 1 281 1 12 LEU HB2 1 13 GLY H . . 4.910 4.235 4.010 4.525 . 0 0 "[ . 1 . 2]" 1 282 1 12 LEU HB2 1 44 TYR HA . . 5.500 4.314 3.660 4.980 . 0 0 "[ . 1 . 2]" 1 283 1 12 LEU HB3 1 12 LEU QD . . 3.200 2.248 2.129 2.475 . 0 0 "[ . 1 . 2]" 1 284 1 12 LEU HB3 1 13 GLY H . . 5.110 4.330 4.015 4.463 . 0 0 "[ . 1 . 2]" 1 285 1 12 LEU HB3 1 44 TYR QD . . 5.500 4.453 4.024 5.302 . 0 0 "[ . 1 . 2]" 1 286 1 12 LEU HB3 1 44 TYR QE . . 5.250 4.259 3.834 5.156 . 0 0 "[ . 1 . 2]" 1 287 1 12 LEU QD 1 13 GLY H . . 3.690 2.240 1.806 2.646 . 0 0 "[ . 1 . 2]" 1 288 1 12 LEU QD 1 13 GLY HA2 . . 5.500 3.918 3.325 4.464 . 0 0 "[ . 1 . 2]" 1 289 1 12 LEU QD 1 42 GLN HB2 . . 3.900 2.897 2.469 3.229 . 0 0 "[ . 1 . 2]" 1 290 1 12 LEU QD 1 42 GLN HB3 . . 3.860 2.017 1.905 2.107 . 0 0 "[ . 1 . 2]" 1 291 1 12 LEU QD 1 42 GLN HE21 . . 4.090 2.552 2.047 3.596 . 0 0 "[ . 1 . 2]" 1 292 1 12 LEU QD 1 42 GLN HE22 . . 3.920 2.499 1.930 2.942 . 0 0 "[ . 1 . 2]" 1 293 1 12 LEU QD 1 42 GLN QG . . 5.140 3.019 2.448 3.533 . 0 0 "[ . 1 . 2]" 1 294 1 12 LEU QD 1 43 VAL H . . 4.670 2.895 2.384 3.386 . 0 0 "[ . 1 . 2]" 1 295 1 12 LEU QD 1 43 VAL QG . . 5.500 3.911 3.556 4.140 . 0 0 "[ . 1 . 2]" 1 296 1 12 LEU QD 1 44 TYR H . . 5.280 4.198 3.630 4.629 . 0 0 "[ . 1 . 2]" 1 297 1 12 LEU QD 1 44 TYR HA . . 4.370 3.365 2.977 3.770 . 0 0 "[ . 1 . 2]" 1 298 1 12 LEU QD 1 44 TYR QD . . 4.180 3.099 2.926 3.290 . 0 0 "[ . 1 . 2]" 1 299 1 12 LEU QD 1 44 TYR QE . . 3.370 2.661 2.160 3.059 . 0 0 "[ . 1 . 2]" 1 300 1 12 LEU QD 1 45 TYR H . . 5.500 5.033 4.736 5.242 . 0 0 "[ . 1 . 2]" 1 301 1 12 LEU QD 1 45 TYR QE . . 5.500 4.459 4.106 4.955 . 0 0 "[ . 1 . 2]" 1 302 1 12 LEU QD 1 64 ILE MG . . 5.330 5.093 4.703 5.331 0.001 17 0 "[ . 1 . 2]" 1 303 1 12 LEU QD 1 65 THR MG . . 5.500 4.531 4.176 5.040 . 0 0 "[ . 1 . 2]" 1 304 1 12 LEU HG 1 13 GLY H . . 5.090 4.370 3.183 5.154 0.064 4 0 "[ . 1 . 2]" 1 305 1 12 LEU HG 1 42 GLN HB3 . . 5.440 4.094 3.020 4.613 . 0 0 "[ . 1 . 2]" 1 306 1 12 LEU HG 1 42 GLN HE21 . . 4.630 4.064 2.531 4.716 0.086 7 0 "[ . 1 . 2]" 1 307 1 12 LEU HG 1 42 GLN HE22 . . 4.560 3.971 2.569 4.636 0.076 7 0 "[ . 1 . 2]" 1 308 1 12 LEU HG 1 42 GLN QG . . 5.500 4.922 4.118 5.326 . 0 0 "[ . 1 . 2]" 1 309 1 12 LEU HG 1 44 TYR QE . . 5.500 3.809 2.545 5.368 . 0 0 "[ . 1 . 2]" 1 310 1 13 GLY H 1 14 SER H . . 4.620 4.512 3.324 4.675 0.055 3 0 "[ . 1 . 2]" 1 311 1 13 GLY H 1 42 GLN HB3 . . 5.500 3.989 3.600 4.605 . 0 0 "[ . 1 . 2]" 1 312 1 13 GLY H 1 43 VAL H . . 4.670 2.986 2.689 3.172 . 0 0 "[ . 1 . 2]" 1 313 1 13 GLY H 1 43 VAL QG . . 4.880 3.496 3.089 3.813 . 0 0 "[ . 1 . 2]" 1 314 1 13 GLY H 1 44 TYR HA . . 4.750 3.130 2.894 3.370 . 0 0 "[ . 1 . 2]" 1 315 1 13 GLY H 1 45 TYR QD . . 4.260 3.560 3.208 3.998 . 0 0 "[ . 1 . 2]" 1 316 1 13 GLY H 1 45 TYR QE . . 3.550 2.909 2.532 3.209 . 0 0 "[ . 1 . 2]" 1 317 1 13 GLY HA2 1 14 SER H . . 3.500 2.335 2.169 2.832 . 0 0 "[ . 1 . 2]" 1 318 1 13 GLY HA2 1 43 VAL H . . 5.190 4.582 3.910 4.992 . 0 0 "[ . 1 . 2]" 1 319 1 13 GLY HA2 1 43 VAL QG . . 5.410 4.122 3.521 4.446 . 0 0 "[ . 1 . 2]" 1 320 1 13 GLY HA2 1 44 TYR HA . . 5.500 5.506 5.346 5.606 0.106 9 0 "[ . 1 . 2]" 1 321 1 13 GLY HA2 1 45 TYR QD . . 5.500 4.248 3.874 4.714 . 0 0 "[ . 1 . 2]" 1 322 1 13 GLY HA2 1 45 TYR QE . . 3.550 2.148 1.984 2.364 . 0 0 "[ . 1 . 2]" 1 323 1 13 GLY HA2 1 99 GLN HB2 . . 4.960 5.087 4.579 5.619 0.659 9 2 "[ . +1 - 2]" 1 324 1 13 GLY HA2 1 99 GLN HE22 . . 5.330 3.726 2.753 4.450 . 0 0 "[ . 1 . 2]" 1 325 1 13 GLY HA3 1 16 MET ME . . 4.200 3.660 3.127 4.056 . 0 0 "[ . 1 . 2]" 1 326 1 13 GLY HA3 1 45 TYR QD . . 5.250 3.930 3.383 4.239 . 0 0 "[ . 1 . 2]" 1 327 1 13 GLY HA3 1 45 TYR QE . . 3.290 2.686 2.116 3.216 . 0 0 "[ . 1 . 2]" 1 328 1 13 GLY HA3 1 99 GLN HE22 . . 5.400 4.777 3.918 5.459 0.059 18 0 "[ . 1 . 2]" 1 329 1 14 SER H 1 14 SER HB2 . . 3.450 3.133 2.611 3.521 0.071 6 0 "[ . 1 . 2]" 1 330 1 14 SER H 1 14 SER HB3 . . 3.400 3.339 2.593 3.547 0.147 13 0 "[ . 1 . 2]" 1 331 1 14 SER H 1 15 ALA H . . 4.670 4.621 4.352 4.724 0.054 20 0 "[ . 1 . 2]" 1 332 1 14 SER H 1 16 MET ME . . 4.920 4.204 3.200 5.003 0.083 13 0 "[ . 1 . 2]" 1 333 1 14 SER H 1 45 TYR QE . . 4.200 4.256 4.053 4.299 0.099 9 0 "[ . 1 . 2]" 1 334 1 14 SER H 1 99 GLN HE21 . . 5.500 4.781 3.283 5.575 0.075 13 0 "[ . 1 . 2]" 1 335 1 14 SER H 1 99 GLN HE22 . . 4.950 3.773 2.745 4.998 0.048 13 0 "[ . 1 . 2]" 1 336 1 14 SER HA 1 15 ALA H . . 2.800 2.303 2.057 2.512 . 0 0 "[ . 1 . 2]" 1 337 1 14 SER HA 1 15 ALA MB . . 4.230 4.044 3.679 4.306 0.076 10 0 "[ . 1 . 2]" 1 338 1 14 SER HA 1 42 GLN HE21 . . 4.010 2.996 2.480 3.320 . 0 0 "[ . 1 . 2]" 1 339 1 14 SER HA 1 42 GLN HE22 . . 4.370 4.175 2.385 4.450 0.080 4 0 "[ . 1 . 2]" 1 340 1 14 SER HA 1 42 GLN QG . . 4.960 3.618 2.891 4.459 . 0 0 "[ . 1 . 2]" 1 341 1 14 SER HB2 1 15 ALA H . . 3.390 3.200 2.626 3.467 0.077 15 0 "[ . 1 . 2]" 1 342 1 14 SER HB2 1 15 ALA MB . . 4.650 4.373 3.771 4.775 0.125 15 0 "[ . 1 . 2]" 1 343 1 14 SER HB2 1 16 MET ME . . 5.500 4.831 3.858 5.600 0.100 15 0 "[ . 1 . 2]" 1 344 1 14 SER HB2 1 42 GLN HE21 . . 5.500 5.458 4.864 5.591 0.091 7 0 "[ . 1 . 2]" 1 345 1 14 SER HB3 1 15 ALA H . . 3.360 3.100 2.350 3.428 0.068 15 0 "[ . 1 . 2]" 1 346 1 14 SER HB3 1 15 ALA MB . . 4.620 4.515 3.987 4.762 0.142 7 0 "[ . 1 . 2]" 1 347 1 14 SER HB3 1 42 GLN HE21 . . 5.500 5.082 4.474 5.564 0.064 15 0 "[ . 1 . 2]" 1 348 1 15 ALA H 1 15 ALA MB . . 2.830 2.165 1.921 2.347 . 0 0 "[ . 1 . 2]" 1 349 1 15 ALA H 1 41 ASN QD . . 5.500 4.741 4.311 5.192 . 0 0 "[ . 1 . 2]" 1 350 1 15 ALA H 1 42 GLN HA . . 5.500 5.331 4.481 5.567 0.067 14 0 "[ . 1 . 2]" 1 351 1 15 ALA H 1 42 GLN HE21 . . 4.560 3.229 2.590 3.944 . 0 0 "[ . 1 . 2]" 1 352 1 15 ALA H 1 42 GLN HE22 . . 4.940 4.251 3.283 4.778 . 0 0 "[ . 1 . 2]" 1 353 1 15 ALA H 1 42 GLN QG . . 4.690 3.218 2.564 3.699 . 0 0 "[ . 1 . 2]" 1 354 1 15 ALA HA 1 16 MET H . . 2.950 2.101 1.988 2.159 . 0 0 "[ . 1 . 2]" 1 355 1 15 ALA HA 1 16 MET HA . . 5.420 4.470 4.424 4.575 . 0 0 "[ . 1 . 2]" 1 356 1 15 ALA HA 1 16 MET HG2 . . 5.140 4.728 3.483 5.192 0.052 20 0 "[ . 1 . 2]" 1 357 1 15 ALA HA 1 16 MET HG3 . . 5.040 4.115 3.852 4.487 . 0 0 "[ . 1 . 2]" 1 358 1 15 ALA HA 1 41 ASN QB . . 5.200 3.583 2.865 4.170 . 0 0 "[ . 1 . 2]" 1 359 1 15 ALA HA 1 41 ASN QD . . 5.500 3.036 2.057 3.655 . 0 0 "[ . 1 . 2]" 1 360 1 15 ALA HA 1 42 GLN HA . . 4.120 3.420 2.986 3.600 . 0 0 "[ . 1 . 2]" 1 361 1 15 ALA HA 1 42 GLN HB3 . . 4.460 4.471 4.260 4.633 0.173 11 0 "[ . 1 . 2]" 1 362 1 15 ALA HA 1 42 GLN QG . . 3.790 2.008 1.882 2.391 . 0 0 "[ . 1 . 2]" 1 363 1 15 ALA MB 1 16 MET H . . 3.810 3.219 2.951 3.480 . 0 0 "[ . 1 . 2]" 1 364 1 15 ALA MB 1 16 MET HA . . 4.480 4.385 4.220 4.531 0.051 6 0 "[ . 1 . 2]" 1 365 1 15 ALA MB 1 16 MET HB2 . . 5.500 5.219 5.054 5.411 . 0 0 "[ . 1 . 2]" 1 366 1 15 ALA MB 1 16 MET HG2 . . 5.500 5.315 4.617 5.580 0.080 8 0 "[ . 1 . 2]" 1 367 1 15 ALA MB 1 16 MET HG3 . . 5.480 5.213 5.006 5.587 0.107 15 0 "[ . 1 . 2]" 1 368 1 15 ALA MB 1 41 ASN H . . 5.500 5.531 5.276 5.605 0.105 13 0 "[ . 1 . 2]" 1 369 1 15 ALA MB 1 41 ASN QB . . 4.970 3.453 2.895 4.148 . 0 0 "[ . 1 . 2]" 1 370 1 15 ALA MB 1 41 ASN QD . . 3.970 2.185 1.693 3.221 . 0 0 "[ . 1 . 2]" 1 371 1 15 ALA MB 1 42 GLN HA . . 4.880 4.847 4.510 4.964 0.084 12 0 "[ . 1 . 2]" 1 372 1 15 ALA MB 1 42 GLN HB2 . . 5.500 5.045 4.810 5.211 . 0 0 "[ . 1 . 2]" 1 373 1 15 ALA MB 1 42 GLN HB3 . . 5.500 5.208 4.974 5.411 . 0 0 "[ . 1 . 2]" 1 374 1 15 ALA MB 1 42 GLN HE21 . . 5.020 3.616 2.695 4.475 . 0 0 "[ . 1 . 2]" 1 375 1 15 ALA MB 1 42 GLN HE22 . . 5.200 4.046 3.372 4.763 . 0 0 "[ . 1 . 2]" 1 376 1 15 ALA MB 1 42 GLN QG . . 4.070 2.790 2.598 2.921 . 0 0 "[ . 1 . 2]" 1 377 1 16 MET H 1 16 MET HB2 . . 4.090 2.520 2.422 2.602 . 0 0 "[ . 1 . 2]" 1 378 1 16 MET H 1 16 MET HB3 . . 3.690 3.679 3.613 3.739 0.049 2 0 "[ . 1 . 2]" 1 379 1 16 MET H 1 16 MET HG2 . . 4.050 3.365 2.594 3.734 . 0 0 "[ . 1 . 2]" 1 380 1 16 MET H 1 16 MET HG3 . . 3.970 2.726 2.390 3.258 . 0 0 "[ . 1 . 2]" 1 381 1 16 MET H 1 17 SER H . . 4.600 4.538 4.374 4.645 0.045 7 0 "[ . 1 . 2]" 1 382 1 16 MET H 1 41 ASN QB . . 4.330 2.748 2.661 3.091 . 0 0 "[ . 1 . 2]" 1 383 1 16 MET H 1 41 ASN QD . . 5.130 3.589 2.450 4.310 . 0 0 "[ . 1 . 2]" 1 384 1 16 MET H 1 42 GLN HA . . 4.830 3.517 3.306 3.697 . 0 0 "[ . 1 . 2]" 1 385 1 16 MET H 1 42 GLN HB2 . . 5.390 5.483 5.381 5.575 0.185 16 0 "[ . 1 . 2]" 1 386 1 16 MET H 1 42 GLN HB3 . . 5.500 5.510 5.282 5.585 0.085 9 0 "[ . 1 . 2]" 1 387 1 16 MET H 1 42 GLN QG . . 4.660 3.313 3.046 3.916 . 0 0 "[ . 1 . 2]" 1 388 1 16 MET HA 1 16 MET ME . . 4.310 4.375 4.218 4.419 0.109 20 0 "[ . 1 . 2]" 1 389 1 16 MET HA 1 16 MET HG2 . . 3.740 2.368 2.264 2.770 . 0 0 "[ . 1 . 2]" 1 390 1 16 MET HA 1 16 MET HG3 . . 4.170 3.326 3.018 3.808 . 0 0 "[ . 1 . 2]" 1 391 1 16 MET HA 1 17 SER H . . 2.930 2.428 2.251 2.648 . 0 0 "[ . 1 . 2]" 1 392 1 16 MET HA 1 17 SER HA . . 4.430 4.463 4.413 4.503 0.073 20 0 "[ . 1 . 2]" 1 393 1 16 MET HA 1 17 SER HB2 . . 4.910 4.590 4.136 4.975 0.065 20 0 "[ . 1 . 2]" 1 394 1 16 MET HA 1 17 SER HB3 . . 4.650 4.789 4.696 4.991 0.341 3 0 "[ . 1 . 2]" 1 395 1 16 MET HB2 1 17 SER H . . 3.760 3.508 3.015 3.770 0.010 18 0 "[ . 1 . 2]" 1 396 1 16 MET HB2 1 18 ARG HA . . 5.470 5.127 4.636 5.536 0.066 1 0 "[ . 1 . 2]" 1 397 1 16 MET HB3 1 17 SER H . . 3.450 2.361 2.054 2.590 . 0 0 "[ . 1 . 2]" 1 398 1 16 MET HB3 1 17 SER HA . . 5.500 4.684 4.528 4.792 . 0 0 "[ . 1 . 2]" 1 399 1 16 MET HB3 1 17 SER HB3 . . 5.150 4.358 3.853 4.842 . 0 0 "[ . 1 . 2]" 1 400 1 16 MET ME 1 16 MET HG2 . . 3.200 2.383 2.204 2.569 . 0 0 "[ . 1 . 2]" 1 401 1 16 MET ME 1 16 MET HG3 . . 2.990 2.484 2.171 2.596 . 0 0 "[ . 1 . 2]" 1 402 1 16 MET ME 1 43 VAL H . . 4.320 4.278 3.999 4.442 0.122 18 0 "[ . 1 . 2]" 1 403 1 16 MET ME 1 43 VAL QG . . 3.640 2.477 2.132 2.912 . 0 0 "[ . 1 . 2]" 1 404 1 16 MET ME 1 95 MET HA . . 3.700 3.471 3.093 3.714 0.014 11 0 "[ . 1 . 2]" 1 405 1 16 MET ME 1 96 CYS H . . 5.170 4.860 4.504 5.080 . 0 0 "[ . 1 . 2]" 1 406 1 16 MET ME 1 98 THR H . . 4.430 4.297 3.884 4.535 0.105 15 0 "[ . 1 . 2]" 1 407 1 16 MET ME 1 98 THR HA . . 5.390 4.988 4.518 5.319 . 0 0 "[ . 1 . 2]" 1 408 1 16 MET ME 1 98 THR HB . . 3.360 3.015 2.370 3.482 0.122 18 0 "[ . 1 . 2]" 1 409 1 16 MET ME 1 98 THR MG . . 3.190 2.869 2.229 3.263 0.073 5 0 "[ . 1 . 2]" 1 410 1 16 MET ME 1 99 GLN H . . 3.490 2.715 2.382 2.909 . 0 0 "[ . 1 . 2]" 1 411 1 16 MET ME 1 99 GLN HA . . 3.630 3.034 2.709 3.284 . 0 0 "[ . 1 . 2]" 1 412 1 16 MET ME 1 99 GLN HB2 . . 2.870 2.064 1.952 2.245 . 0 0 "[ . 1 . 2]" 1 413 1 16 MET ME 1 99 GLN HE21 . . 5.270 4.741 4.000 5.119 . 0 0 "[ . 1 . 2]" 1 414 1 16 MET ME 1 99 GLN HE22 . . 4.670 4.295 3.235 4.738 0.068 20 0 "[ . 1 . 2]" 1 415 1 16 MET ME 1 99 GLN HG2 . . 4.220 3.519 3.172 3.783 . 0 0 "[ . 1 . 2]" 1 416 1 16 MET ME 1 99 GLN HG3 . . 4.210 4.279 4.077 4.327 0.117 20 0 "[ . 1 . 2]" 1 417 1 16 MET HG2 1 17 SER H . . 4.880 4.152 3.903 4.638 . 0 0 "[ . 1 . 2]" 1 418 1 16 MET HG3 1 17 SER H . . 4.910 4.913 4.786 4.986 0.076 15 0 "[ . 1 . 2]" 1 419 1 16 MET HG3 1 42 GLN HA . . 5.500 3.504 3.062 3.872 . 0 0 "[ . 1 . 2]" 1 420 1 16 MET HG3 1 43 VAL H . . 5.500 4.760 4.279 5.366 . 0 0 "[ . 1 . 2]" 1 421 1 17 SER H 1 17 SER HB2 . . 3.210 2.701 2.470 3.010 . 0 0 "[ . 1 . 2]" 1 422 1 17 SER H 1 17 SER HB3 . . 3.160 2.428 2.201 2.780 . 0 0 "[ . 1 . 2]" 1 423 1 17 SER H 1 18 ARG H . . 4.700 4.508 4.339 4.618 . 0 0 "[ . 1 . 2]" 1 424 1 17 SER H 1 19 PRO HD3 . . 5.500 5.281 4.811 5.556 0.056 20 0 "[ . 1 . 2]" 1 425 1 17 SER HA 1 18 ARG H . . 2.930 2.346 2.092 2.615 . 0 0 "[ . 1 . 2]" 1 426 1 17 SER HB2 1 18 ARG H . . 4.020 3.952 3.722 4.126 0.106 7 0 "[ . 1 . 2]" 1 427 1 17 SER HB3 1 18 ARG H . . 4.400 3.706 3.355 4.115 . 0 0 "[ . 1 . 2]" 1 428 1 18 ARG H 1 18 ARG HB2 . . 3.720 3.597 3.477 3.715 . 0 0 "[ . 1 . 2]" 1 429 1 18 ARG H 1 18 ARG QD . . 5.040 3.984 3.833 4.193 . 0 0 "[ . 1 . 2]" 1 430 1 18 ARG H 1 18 ARG HE . . 5.500 4.629 3.638 5.368 . 0 0 "[ . 1 . 2]" 1 431 1 18 ARG H 1 18 ARG HG2 . . 4.550 2.118 1.886 2.460 . 0 0 "[ . 1 . 2]" 1 432 1 18 ARG H 1 18 ARG HG3 . . 3.840 2.802 1.909 3.699 . 0 0 "[ . 1 . 2]" 1 433 1 18 ARG H 1 19 PRO HD2 . . 5.250 5.018 4.903 5.297 0.047 1 0 "[ . 1 . 2]" 1 434 1 18 ARG H 1 19 PRO HD3 . . 5.390 4.690 4.334 4.923 . 0 0 "[ . 1 . 2]" 1 435 1 18 ARG HA 1 19 PRO HD2 . . 3.680 2.289 2.177 2.657 . 0 0 "[ . 1 . 2]" 1 436 1 18 ARG HA 1 19 PRO HD3 . . 3.510 2.404 2.093 2.558 . 0 0 "[ . 1 . 2]" 1 437 1 18 ARG HA 1 19 PRO QG . . 4.550 4.007 3.930 4.090 . 0 0 "[ . 1 . 2]" 1 438 1 18 ARG HA 1 41 ASN HA . . 5.170 4.483 4.225 4.763 . 0 0 "[ . 1 . 2]" 1 439 1 18 ARG HA 1 91 VAL QG . . 5.170 4.546 3.924 4.994 . 0 0 "[ . 1 . 2]" 1 440 1 18 ARG HB2 1 18 ARG HE . . 5.160 4.279 2.435 4.866 . 0 0 "[ . 1 . 2]" 1 441 1 18 ARG HB2 1 18 ARG HG2 . . 3.030 3.027 2.955 3.056 0.026 14 0 "[ . 1 . 2]" 1 442 1 18 ARG HB3 1 18 ARG HE . . 5.150 4.069 2.368 5.069 . 0 0 "[ . 1 . 2]" 1 443 1 18 ARG HB3 1 19 PRO HD2 . . 5.500 4.000 3.664 4.493 . 0 0 "[ . 1 . 2]" 1 444 1 18 ARG HB3 1 41 ASN HA . . 5.250 5.299 5.115 5.337 0.087 8 0 "[ . 1 . 2]" 1 445 1 18 ARG HB3 1 41 ASN QB . . 5.110 4.433 3.699 4.909 . 0 0 "[ . 1 . 2]" 1 446 1 18 ARG QD 1 36 MET H . . 5.500 4.802 4.465 5.164 . 0 0 "[ . 1 . 2]" 1 447 1 18 ARG QD 1 36 MET HB3 . . 5.240 3.987 3.475 4.317 . 0 0 "[ . 1 . 2]" 1 448 1 18 ARG QD 1 36 MET ME . . 4.020 2.752 2.112 3.557 . 0 0 "[ . 1 . 2]" 1 449 1 18 ARG QD 1 36 MET HG3 . . 4.290 2.117 1.863 2.566 . 0 0 "[ . 1 . 2]" 1 450 1 18 ARG QD 1 37 TYR H . . 3.790 3.280 2.840 3.683 . 0 0 "[ . 1 . 2]" 1 451 1 18 ARG QD 1 37 TYR HB3 . . 3.320 2.882 2.372 3.304 . 0 0 "[ . 1 . 2]" 1 452 1 18 ARG QD 1 37 TYR QD . . 2.880 2.717 2.310 2.900 0.020 19 0 "[ . 1 . 2]" 1 453 1 18 ARG HE 1 36 MET HB2 . . 5.500 5.044 4.330 5.562 0.062 13 0 "[ . 1 . 2]" 1 454 1 18 ARG HE 1 37 TYR QD . . 5.500 3.669 2.721 4.909 . 0 0 "[ . 1 . 2]" 1 455 1 18 ARG HG3 1 37 TYR QD . . 5.270 5.256 4.663 5.778 0.508 8 1 "[ . + 1 . 2]" 1 456 1 19 PRO HA 1 20 MET H . . 2.870 2.501 2.288 2.697 . 0 0 "[ . 1 . 2]" 1 457 1 19 PRO HA 1 20 MET HA . . 5.400 4.440 4.346 4.531 . 0 0 "[ . 1 . 2]" 1 458 1 19 PRO HA 1 20 MET QB . . 4.620 3.989 3.740 4.134 . 0 0 "[ . 1 . 2]" 1 459 1 19 PRO HA 1 20 MET ME . . 5.100 5.189 5.033 5.218 0.118 12 0 "[ . 1 . 2]" 1 460 1 19 PRO HA 1 36 MET ME . . 5.500 5.301 4.772 5.599 0.099 20 0 "[ . 1 . 2]" 1 461 1 19 PRO HB2 1 20 MET H . . 3.980 2.540 2.191 3.082 . 0 0 "[ . 1 . 2]" 1 462 1 19 PRO HB2 1 21 ILE MD . . 3.630 3.164 2.414 3.679 0.049 9 0 "[ . 1 . 2]" 1 463 1 19 PRO HB2 1 21 ILE HG12 . . 5.160 3.296 2.887 3.619 . 0 0 "[ . 1 . 2]" 1 464 1 19 PRO HB2 1 21 ILE HG13 . . 5.090 2.996 2.268 3.448 . 0 0 "[ . 1 . 2]" 1 465 1 19 PRO HB2 1 21 ILE MG . . 5.500 5.234 4.804 5.544 0.044 19 0 "[ . 1 . 2]" 1 466 1 19 PRO HB2 1 94 GLN HE21 . . 5.500 4.501 3.674 5.539 0.039 1 0 "[ . 1 . 2]" 1 467 1 19 PRO HB2 1 94 GLN HE22 . . 5.500 3.651 2.602 5.249 . 0 0 "[ . 1 . 2]" 1 468 1 19 PRO HB2 1 94 GLN HG3 . . 4.830 4.343 2.710 4.828 . 0 0 "[ . 1 . 2]" 1 469 1 19 PRO HB3 1 20 MET H . . 4.110 3.493 2.664 3.735 . 0 0 "[ . 1 . 2]" 1 470 1 19 PRO HB3 1 21 ILE MD . . 4.900 4.209 3.401 4.663 . 0 0 "[ . 1 . 2]" 1 471 1 19 PRO HB3 1 94 GLN HE22 . . 5.500 2.783 2.222 3.967 . 0 0 "[ . 1 . 2]" 1 472 1 19 PRO HD2 1 91 VAL QG . . 3.780 2.998 2.327 3.453 . 0 0 "[ . 1 . 2]" 1 473 1 19 PRO HD3 1 91 VAL QG . . 4.620 3.892 3.143 4.409 . 0 0 "[ . 1 . 2]" 1 474 1 19 PRO HD3 1 95 MET ME . . 5.500 4.132 3.601 4.746 . 0 0 "[ . 1 . 2]" 1 475 1 19 PRO HD3 1 95 MET HG2 . . 5.500 3.818 3.445 4.459 . 0 0 "[ . 1 . 2]" 1 476 1 19 PRO HD3 1 95 MET HG3 . . 5.460 3.677 3.339 4.006 . 0 0 "[ . 1 . 2]" 1 477 1 19 PRO QG 1 21 ILE MD . . 3.750 2.409 2.172 2.765 . 0 0 "[ . 1 . 2]" 1 478 1 19 PRO QG 1 21 ILE HG12 . . 5.500 3.763 3.435 4.496 . 0 0 "[ . 1 . 2]" 1 479 1 19 PRO QG 1 21 ILE HG13 . . 4.760 2.776 2.473 4.035 . 0 0 "[ . 1 . 2]" 1 480 1 19 PRO QG 1 21 ILE MG . . 5.500 4.853 4.601 5.507 0.007 1 0 "[ . 1 . 2]" 1 481 1 19 PRO QG 1 91 VAL HA . . 4.550 2.707 2.522 2.881 . 0 0 "[ . 1 . 2]" 1 482 1 19 PRO QG 1 91 VAL QG . . 3.740 2.358 1.997 2.929 . 0 0 "[ . 1 . 2]" 1 483 1 19 PRO QG 1 92 VAL H . . 5.500 5.580 5.544 5.602 0.102 12 0 "[ . 1 . 2]" 1 484 1 19 PRO QG 1 95 MET H . . 5.420 4.414 3.495 4.798 . 0 0 "[ . 1 . 2]" 1 485 1 19 PRO QG 1 95 MET HG3 . . 4.340 2.857 2.377 3.811 . 0 0 "[ . 1 . 2]" 1 486 1 20 MET H 1 20 MET QB . . 3.390 2.454 2.347 2.548 . 0 0 "[ . 1 . 2]" 1 487 1 20 MET H 1 20 MET ME . . 4.340 4.303 4.216 4.415 0.075 17 0 "[ . 1 . 2]" 1 488 1 20 MET H 1 20 MET HG2 . . 4.690 4.762 4.729 4.865 0.175 13 0 "[ . 1 . 2]" 1 489 1 20 MET H 1 20 MET HG3 . . 4.780 4.474 4.416 4.570 . 0 0 "[ . 1 . 2]" 1 490 1 20 MET H 1 21 ILE H . . 4.820 4.340 4.140 4.565 . 0 0 "[ . 1 . 2]" 1 491 1 20 MET H 1 21 ILE HA . . 5.500 5.004 4.747 5.345 . 0 0 "[ . 1 . 2]" 1 492 1 20 MET HA 1 20 MET ME . . 3.750 1.911 1.838 2.111 . 0 0 "[ . 1 . 2]" 1 493 1 20 MET HA 1 21 ILE H . . 3.350 2.174 2.042 2.291 . 0 0 "[ . 1 . 2]" 1 494 1 20 MET HA 1 21 ILE HA . . 4.850 4.439 4.395 4.496 . 0 0 "[ . 1 . 2]" 1 495 1 20 MET HA 1 21 ILE HB . . 5.290 4.520 4.179 4.750 . 0 0 "[ . 1 . 2]" 1 496 1 20 MET HA 1 21 ILE MD . . 5.070 5.013 4.520 5.157 0.087 17 0 "[ . 1 . 2]" 1 497 1 20 MET HA 1 21 ILE HG13 . . 5.230 3.564 3.015 3.751 . 0 0 "[ . 1 . 2]" 1 498 1 20 MET HA 1 32 TYR QD . . 4.010 3.992 3.761 4.094 0.084 5 0 "[ . 1 . 2]" 1 499 1 20 MET HA 1 32 TYR QE . . 2.990 2.233 2.023 2.422 . 0 0 "[ . 1 . 2]" 1 500 1 20 MET HA 1 36 MET ME . . 3.690 3.598 3.339 3.785 0.095 18 0 "[ . 1 . 2]" 1 501 1 20 MET QB 1 21 ILE H . . 4.430 3.820 3.665 3.954 . 0 0 "[ . 1 . 2]" 1 502 1 20 MET QB 1 32 TYR QE . . 5.450 4.329 3.833 4.569 . 0 0 "[ . 1 . 2]" 1 503 1 20 MET ME 1 20 MET HG2 . . 3.310 3.270 2.372 3.393 0.083 1 0 "[ . 1 . 2]" 1 504 1 20 MET ME 1 20 MET HG3 . . 2.930 2.415 2.129 3.379 0.449 13 0 "[ . 1 . 2]" 1 505 1 20 MET ME 1 21 ILE H . . 4.300 2.424 2.036 3.080 . 0 0 "[ . 1 . 2]" 1 506 1 20 MET ME 1 21 ILE HG12 . . 5.500 5.464 5.101 5.633 0.133 7 0 "[ . 1 . 2]" 1 507 1 20 MET ME 1 21 ILE MG . . 5.500 5.293 5.052 5.648 0.148 7 0 "[ . 1 . 2]" 1 508 1 20 MET ME 1 22 HIS HE1 . . 5.470 5.441 4.259 5.575 0.105 13 0 "[ . 1 . 2]" 1 509 1 20 MET ME 1 23 PHE QE . . 5.260 5.021 4.698 5.360 0.100 13 0 "[ . 1 . 2]" 1 510 1 20 MET ME 1 32 TYR HB3 . . 5.270 4.213 4.056 4.511 . 0 0 "[ . 1 . 2]" 1 511 1 20 MET ME 1 32 TYR QD . . 4.100 2.408 2.268 2.557 . 0 0 "[ . 1 . 2]" 1 512 1 20 MET ME 1 32 TYR QE . . 4.100 2.092 2.008 2.210 . 0 0 "[ . 1 . 2]" 1 513 1 20 MET ME 1 33 ARG H . . 5.110 4.076 3.784 4.297 . 0 0 "[ . 1 . 2]" 1 514 1 20 MET ME 1 33 ARG HA . . 4.010 3.021 2.256 3.444 . 0 0 "[ . 1 . 2]" 1 515 1 20 MET ME 1 33 ARG HD2 . . 4.150 3.364 2.654 4.228 0.078 8 0 "[ . 1 . 2]" 1 516 1 20 MET ME 1 33 ARG HD3 . . 4.230 4.159 3.767 4.352 0.122 17 0 "[ . 1 . 2]" 1 517 1 20 MET ME 1 33 ARG HG2 . . 3.590 2.493 2.045 3.429 . 0 0 "[ . 1 . 2]" 1 518 1 20 MET ME 1 33 ARG HG3 . . 2.400 2.222 2.022 2.466 0.066 10 0 "[ . 1 . 2]" 1 519 1 20 MET ME 1 36 MET HB2 . . 4.270 3.843 3.340 4.367 0.097 15 0 "[ . 1 . 2]" 1 520 1 20 MET ME 1 36 MET ME . . 3.030 1.895 1.804 1.984 . 0 0 "[ . 1 . 2]" 1 521 1 20 MET HG2 1 21 ILE H . . 5.170 4.503 4.119 4.846 . 0 0 "[ . 1 . 2]" 1 522 1 20 MET HG2 1 22 HIS HD2 . . 4.940 4.287 3.916 4.990 0.050 15 0 "[ . 1 . 2]" 1 523 1 20 MET HG2 1 22 HIS HE1 . . 4.440 3.760 2.629 4.562 0.122 7 0 "[ . 1 . 2]" 1 524 1 20 MET HG2 1 32 TYR QE . . 5.500 5.475 4.696 5.601 0.101 8 0 "[ . 1 . 2]" 1 525 1 20 MET HG2 1 36 MET ME . . 5.030 4.798 3.737 5.133 0.103 14 0 "[ . 1 . 2]" 1 526 1 20 MET HG3 1 21 ILE H . . 4.690 2.941 2.558 3.369 . 0 0 "[ . 1 . 2]" 1 527 1 20 MET HG3 1 22 HIS HD2 . . 5.150 2.971 2.402 3.532 . 0 0 "[ . 1 . 2]" 1 528 1 20 MET HG3 1 22 HIS HE1 . . 4.500 4.020 2.997 4.550 0.050 10 0 "[ . 1 . 2]" 1 529 1 20 MET HG3 1 32 TYR QE . . 4.600 4.294 4.032 4.907 0.307 7 0 "[ . 1 . 2]" 1 530 1 21 ILE H 1 21 ILE HB . . 3.610 2.795 2.526 2.941 . 0 0 "[ . 1 . 2]" 1 531 1 21 ILE H 1 21 ILE MD . . 4.470 4.331 4.111 4.467 . 0 0 "[ . 1 . 2]" 1 532 1 21 ILE H 1 21 ILE HG12 . . 4.490 3.804 3.654 3.933 . 0 0 "[ . 1 . 2]" 1 533 1 21 ILE H 1 21 ILE HG13 . . 4.270 2.999 2.790 3.167 . 0 0 "[ . 1 . 2]" 1 534 1 21 ILE H 1 21 ILE MG . . 4.280 3.919 3.808 3.997 . 0 0 "[ . 1 . 2]" 1 535 1 21 ILE H 1 22 HIS H . . 4.940 4.052 3.875 4.211 . 0 0 "[ . 1 . 2]" 1 536 1 21 ILE H 1 23 PHE QE . . 5.500 4.354 4.204 4.674 . 0 0 "[ . 1 . 2]" 1 537 1 21 ILE H 1 32 TYR QD . . 4.870 3.007 2.696 3.256 . 0 0 "[ . 1 . 2]" 1 538 1 21 ILE H 1 32 TYR QE . . 3.220 2.343 1.958 2.635 . 0 0 "[ . 1 . 2]" 1 539 1 21 ILE H 1 91 VAL QG . . 5.500 5.156 4.850 5.412 . 0 0 "[ . 1 . 2]" 1 540 1 21 ILE HA 1 21 ILE MD . . 4.220 3.840 3.740 3.902 . 0 0 "[ . 1 . 2]" 1 541 1 21 ILE HA 1 21 ILE HG12 . . 3.870 2.592 2.483 2.694 . 0 0 "[ . 1 . 2]" 1 542 1 21 ILE HA 1 21 ILE MG . . 3.430 2.427 2.313 2.538 . 0 0 "[ . 1 . 2]" 1 543 1 21 ILE HA 1 22 HIS H . . 2.920 2.154 2.006 2.246 . 0 0 "[ . 1 . 2]" 1 544 1 21 ILE HA 1 22 HIS HB2 . . 5.100 4.568 4.321 4.752 . 0 0 "[ . 1 . 2]" 1 545 1 21 ILE HA 1 22 HIS HD2 . . 4.270 4.233 3.449 4.360 0.090 15 0 "[ . 1 . 2]" 1 546 1 21 ILE HB 1 22 HIS H . . 4.410 4.248 4.005 4.386 . 0 0 "[ . 1 . 2]" 1 547 1 21 ILE HB 1 23 PHE QD . . 4.710 4.218 3.866 4.475 . 0 0 "[ . 1 . 2]" 1 548 1 21 ILE HB 1 23 PHE QE . . 3.530 2.894 2.537 3.212 . 0 0 "[ . 1 . 2]" 1 549 1 21 ILE HB 1 23 PHE HZ . . 4.360 3.214 2.888 3.644 . 0 0 "[ . 1 . 2]" 1 550 1 21 ILE HB 1 32 TYR QD . . 4.750 3.771 3.253 4.042 . 0 0 "[ . 1 . 2]" 1 551 1 21 ILE HB 1 32 TYR QE . . 4.200 3.485 3.188 3.755 . 0 0 "[ . 1 . 2]" 1 552 1 21 ILE HB 1 90 ARG HG3 . . 5.500 5.292 4.738 6.138 0.638 1 1 "[+ . 1 . 2]" 1 553 1 21 ILE HB 1 91 VAL QG . . 4.670 3.771 3.503 4.244 . 0 0 "[ . 1 . 2]" 1 554 1 21 ILE MD 1 21 ILE MG . . 3.280 2.019 1.946 2.054 . 0 0 "[ . 1 . 2]" 1 555 1 21 ILE MD 1 23 PHE QD . . 4.960 4.926 4.539 5.074 0.114 15 0 "[ . 1 . 2]" 1 556 1 21 ILE MD 1 23 PHE QE . . 4.000 3.757 3.314 3.959 . 0 0 "[ . 1 . 2]" 1 557 1 21 ILE MD 1 23 PHE HZ . . 3.880 3.433 3.092 3.730 . 0 0 "[ . 1 . 2]" 1 558 1 21 ILE MD 1 32 TYR QD . . 4.690 4.632 4.289 4.803 0.113 8 0 "[ . 1 . 2]" 1 559 1 21 ILE MD 1 32 TYR QE . . 4.000 3.623 3.100 3.876 . 0 0 "[ . 1 . 2]" 1 560 1 21 ILE MD 1 87 MET ME . . 5.500 5.594 5.503 5.627 0.127 15 0 "[ . 1 . 2]" 1 561 1 21 ILE MD 1 90 ARG H . . 4.940 4.209 3.913 4.572 . 0 0 "[ . 1 . 2]" 1 562 1 21 ILE MD 1 90 ARG HA . . 4.890 3.869 3.640 4.034 . 0 0 "[ . 1 . 2]" 1 563 1 21 ILE MD 1 90 ARG HB2 . . 4.940 2.513 1.980 2.853 . 0 0 "[ . 1 . 2]" 1 564 1 21 ILE MD 1 90 ARG HB3 . . 3.700 2.269 2.034 2.534 . 0 0 "[ . 1 . 2]" 1 565 1 21 ILE MD 1 90 ARG HD2 . . 4.970 4.899 4.431 5.194 0.224 1 0 "[ . 1 . 2]" 1 566 1 21 ILE MD 1 90 ARG HD3 . . 5.130 4.662 3.873 5.222 0.092 14 0 "[ . 1 . 2]" 1 567 1 21 ILE MD 1 90 ARG HG2 . . 4.900 4.426 3.812 4.803 . 0 0 "[ . 1 . 2]" 1 568 1 21 ILE MD 1 90 ARG HG3 . . 4.820 3.924 3.474 4.235 . 0 0 "[ . 1 . 2]" 1 569 1 21 ILE MD 1 91 VAL H . . 3.890 2.816 2.617 3.071 . 0 0 "[ . 1 . 2]" 1 570 1 21 ILE MD 1 91 VAL HA . . 3.380 2.089 1.965 2.324 . 0 0 "[ . 1 . 2]" 1 571 1 21 ILE MD 1 91 VAL HB . . 4.000 3.458 2.796 3.862 . 0 0 "[ . 1 . 2]" 1 572 1 21 ILE MD 1 91 VAL QG . . 3.830 2.030 1.933 2.196 . 0 0 "[ . 1 . 2]" 1 573 1 21 ILE MD 1 92 VAL H . . 5.500 4.745 4.620 4.910 . 0 0 "[ . 1 . 2]" 1 574 1 21 ILE MD 1 94 GLN H . . 5.500 4.175 3.734 4.511 . 0 0 "[ . 1 . 2]" 1 575 1 21 ILE MD 1 94 GLN HB3 . . 4.600 4.059 3.176 4.501 . 0 0 "[ . 1 . 2]" 1 576 1 21 ILE MD 1 94 GLN HE21 . . 5.090 4.714 4.108 5.186 0.096 18 0 "[ . 1 . 2]" 1 577 1 21 ILE MD 1 94 GLN HE22 . . 5.440 4.919 4.153 5.551 0.111 15 0 "[ . 1 . 2]" 1 578 1 21 ILE MD 1 94 GLN HG2 . . 4.140 2.592 2.270 3.666 . 0 0 "[ . 1 . 2]" 1 579 1 21 ILE MD 1 94 GLN HG3 . . 4.360 3.040 2.255 3.438 . 0 0 "[ . 1 . 2]" 1 580 1 21 ILE MD 1 95 MET ME . . 5.500 4.927 4.200 5.630 0.130 20 0 "[ . 1 . 2]" 1 581 1 21 ILE HG12 1 22 HIS H . . 5.300 4.652 4.416 4.862 . 0 0 "[ . 1 . 2]" 1 582 1 21 ILE HG12 1 32 TYR QE . . 5.450 4.767 4.238 5.046 . 0 0 "[ . 1 . 2]" 1 583 1 21 ILE HG12 1 91 VAL QG . . 5.500 4.231 3.933 4.508 . 0 0 "[ . 1 . 2]" 1 584 1 21 ILE HG13 1 22 HIS H . . 5.500 5.321 5.203 5.462 . 0 0 "[ . 1 . 2]" 1 585 1 21 ILE HG13 1 23 PHE QE . . 5.500 4.965 4.692 5.229 . 0 0 "[ . 1 . 2]" 1 586 1 21 ILE HG13 1 32 TYR QE . . 4.630 3.335 2.698 3.675 . 0 0 "[ . 1 . 2]" 1 587 1 21 ILE HG13 1 91 VAL QG . . 4.900 3.236 2.943 3.625 . 0 0 "[ . 1 . 2]" 1 588 1 21 ILE MG 1 22 HIS H . . 3.420 2.929 2.509 3.226 . 0 0 "[ . 1 . 2]" 1 589 1 21 ILE MG 1 22 HIS HB2 . . 5.500 4.883 4.655 5.183 . 0 0 "[ . 1 . 2]" 1 590 1 21 ILE MG 1 23 PHE H . . 5.230 2.607 2.282 3.491 . 0 0 "[ . 1 . 2]" 1 591 1 21 ILE MG 1 23 PHE HA . . 4.990 3.101 2.828 3.394 . 0 0 "[ . 1 . 2]" 1 592 1 21 ILE MG 1 23 PHE HB2 . . 5.270 4.451 4.269 4.882 . 0 0 "[ . 1 . 2]" 1 593 1 21 ILE MG 1 23 PHE QD . . 3.860 3.051 2.903 3.415 . 0 0 "[ . 1 . 2]" 1 594 1 21 ILE MG 1 23 PHE QE . . 3.530 2.815 2.627 3.109 . 0 0 "[ . 1 . 2]" 1 595 1 21 ILE MG 1 23 PHE HZ . . 3.810 3.088 2.917 3.284 . 0 0 "[ . 1 . 2]" 1 596 1 21 ILE MG 1 32 TYR QD . . 5.420 4.658 4.429 4.903 . 0 0 "[ . 1 . 2]" 1 597 1 21 ILE MG 1 32 TYR QE . . 4.720 4.570 4.325 4.811 0.091 17 0 "[ . 1 . 2]" 1 598 1 21 ILE MG 1 87 MET ME . . 5.500 4.488 4.278 4.902 . 0 0 "[ . 1 . 2]" 1 599 1 21 ILE MG 1 90 ARG HA . . 5.500 4.527 4.317 4.821 . 0 0 "[ . 1 . 2]" 1 600 1 21 ILE MG 1 90 ARG HB2 . . 4.710 2.521 2.151 2.935 . 0 0 "[ . 1 . 2]" 1 601 1 21 ILE MG 1 90 ARG HB3 . . 4.220 2.435 2.196 2.657 . 0 0 "[ . 1 . 2]" 1 602 1 21 ILE MG 1 90 ARG HD2 . . 4.810 4.171 3.639 4.927 0.117 9 0 "[ . 1 . 2]" 1 603 1 21 ILE MG 1 90 ARG HD3 . . 4.830 4.412 3.726 4.916 0.086 14 0 "[ . 1 . 2]" 1 604 1 21 ILE MG 1 90 ARG HE . . 5.500 5.403 4.683 5.603 0.103 19 0 "[ . 1 . 2]" 1 605 1 21 ILE MG 1 90 ARG HG2 . . 4.220 3.862 2.617 4.286 0.066 6 0 "[ . 1 . 2]" 1 606 1 21 ILE MG 1 90 ARG HG3 . . 4.890 2.845 2.517 3.409 . 0 0 "[ . 1 . 2]" 1 607 1 21 ILE MG 1 91 VAL HA . . 5.500 4.693 4.385 5.049 . 0 0 "[ . 1 . 2]" 1 608 1 21 ILE MG 1 91 VAL QG . . 5.010 3.824 3.471 4.224 . 0 0 "[ . 1 . 2]" 1 609 1 21 ILE MG 1 94 GLN HB3 . . 5.500 5.533 5.321 6.100 0.600 14 1 "[ . 1 +. 2]" 1 610 1 21 ILE MG 1 94 GLN HG2 . . 5.500 4.425 3.993 5.370 . 0 0 "[ . 1 . 2]" 1 611 1 21 ILE MG 1 94 GLN HG3 . . 5.500 5.391 4.446 5.590 0.090 13 0 "[ . 1 . 2]" 1 612 1 22 HIS H 1 22 HIS HB2 . . 3.580 2.539 2.359 2.819 . 0 0 "[ . 1 . 2]" 1 613 1 22 HIS H 1 22 HIS HB3 . . 3.810 3.676 3.541 3.768 . 0 0 "[ . 1 . 2]" 1 614 1 22 HIS H 1 22 HIS HD2 . . 3.760 3.521 2.788 3.833 0.073 9 0 "[ . 1 . 2]" 1 615 1 22 HIS H 1 23 PHE H . . 4.970 2.466 1.902 3.885 . 0 0 "[ . 1 . 2]" 1 616 1 22 HIS H 1 23 PHE HA . . 5.250 4.302 4.051 4.521 . 0 0 "[ . 1 . 2]" 1 617 1 22 HIS H 1 23 PHE QD . . 4.660 4.401 3.974 4.731 0.071 3 0 "[ . 1 . 2]" 1 618 1 22 HIS HA 1 22 HIS HD2 . . 4.730 2.478 2.273 2.820 . 0 0 "[ . 1 . 2]" 1 619 1 22 HIS HA 1 23 PHE H . . 3.430 3.174 2.163 3.472 0.042 19 0 "[ . 1 . 2]" 1 620 1 22 HIS HA 1 23 PHE HB2 . . 5.500 4.552 4.357 4.754 . 0 0 "[ . 1 . 2]" 1 621 1 22 HIS HA 1 23 PHE QD . . 3.910 2.986 2.798 3.257 . 0 0 "[ . 1 . 2]" 1 622 1 22 HIS HA 1 29 ASP H . . 3.890 3.946 3.829 3.978 0.088 3 0 "[ . 1 . 2]" 1 623 1 22 HIS HA 1 29 ASP HA . . 4.080 2.476 2.107 3.045 . 0 0 "[ . 1 . 2]" 1 624 1 22 HIS HB2 1 22 HIS HE1 . . 4.800 4.847 4.773 4.879 0.079 10 0 "[ . 1 . 2]" 1 625 1 22 HIS HB2 1 23 PHE H . . 4.700 3.479 2.978 4.437 . 0 0 "[ . 1 . 2]" 1 626 1 22 HIS HB2 1 24 GLY H . . 4.990 4.038 3.569 4.753 . 0 0 "[ . 1 . 2]" 1 627 1 22 HIS HB3 1 22 HIS HD2 . . 3.650 3.477 3.053 3.730 0.080 10 0 "[ . 1 . 2]" 1 628 1 22 HIS HB3 1 22 HIS HE1 . . 5.250 5.035 4.785 5.255 0.005 9 0 "[ . 1 . 2]" 1 629 1 22 HIS HB3 1 23 PHE H . . 4.610 4.120 3.965 4.267 . 0 0 "[ . 1 . 2]" 1 630 1 22 HIS HB3 1 24 GLY H . . 5.250 3.772 3.478 4.141 . 0 0 "[ . 1 . 2]" 1 631 1 22 HIS HB3 1 29 ASP HA . . 4.960 4.303 3.584 5.001 0.041 3 0 "[ . 1 . 2]" 1 632 1 22 HIS HD2 1 23 PHE H . . 5.420 4.940 4.241 5.227 . 0 0 "[ . 1 . 2]" 1 633 1 22 HIS HD2 1 32 TYR QD . . 4.340 4.176 3.740 4.433 0.093 3 0 "[ . 1 . 2]" 1 634 1 23 PHE H 1 23 PHE HB2 . . 4.060 3.466 2.451 3.749 . 0 0 "[ . 1 . 2]" 1 635 1 23 PHE H 1 23 PHE HB3 . . 4.050 3.924 3.480 4.070 0.020 5 0 "[ . 1 . 2]" 1 636 1 23 PHE H 1 23 PHE QD . . 4.060 3.033 1.659 3.498 . 0 0 "[ . 1 . 2]" 1 637 1 23 PHE H 1 23 PHE QE . . 4.740 4.472 3.728 4.791 0.051 18 0 "[ . 1 . 2]" 1 638 1 23 PHE H 1 24 GLY H . . 3.660 3.371 2.858 3.668 0.008 12 0 "[ . 1 . 2]" 1 639 1 23 PHE H 1 24 GLY HA2 . . 5.420 5.289 5.117 5.427 0.007 1 0 "[ . 1 . 2]" 1 640 1 23 PHE H 1 24 GLY HA3 . . 5.490 5.535 5.474 5.568 0.078 3 0 "[ . 1 . 2]" 1 641 1 23 PHE HA 1 23 PHE QD . . 3.370 3.045 2.896 3.253 . 0 0 "[ . 1 . 2]" 1 642 1 23 PHE HA 1 23 PHE QE . . 4.770 4.703 4.524 4.826 0.056 3 0 "[ . 1 . 2]" 1 643 1 23 PHE HA 1 24 GLY HA2 . . 5.250 5.092 4.943 5.210 . 0 0 "[ . 1 . 2]" 1 644 1 23 PHE HA 1 25 ASN H . . 4.870 4.812 4.540 4.938 0.068 13 0 "[ . 1 . 2]" 1 645 1 23 PHE HB2 1 24 GLY H . . 3.960 2.856 2.377 3.245 . 0 0 "[ . 1 . 2]" 1 646 1 23 PHE HB2 1 24 GLY HA3 . . 5.500 4.669 4.437 4.859 . 0 0 "[ . 1 . 2]" 1 647 1 23 PHE HB2 1 25 ASN H . . 4.270 2.774 2.412 2.992 . 0 0 "[ . 1 . 2]" 1 648 1 23 PHE HB2 1 25 ASN HD21 . . 5.500 5.133 4.513 5.582 0.082 8 0 "[ . 1 . 2]" 1 649 1 23 PHE HB2 1 25 ASN HD22 . . 5.210 5.148 4.547 5.295 0.085 11 0 "[ . 1 . 2]" 1 650 1 23 PHE HB2 1 28 GLU HB2 . . 4.610 2.590 2.304 2.796 . 0 0 "[ . 1 . 2]" 1 651 1 23 PHE HB2 1 28 GLU HB3 . . 4.600 2.427 2.241 2.709 . 0 0 "[ . 1 . 2]" 1 652 1 23 PHE HB2 1 29 ASP H . . 5.440 4.040 3.713 4.270 . 0 0 "[ . 1 . 2]" 1 653 1 23 PHE HB3 1 24 GLY H . . 4.260 3.827 3.446 4.118 . 0 0 "[ . 1 . 2]" 1 654 1 23 PHE HB3 1 25 ASN HD22 . . 5.500 5.103 4.629 5.461 . 0 0 "[ . 1 . 2]" 1 655 1 23 PHE HB3 1 28 GLU HB2 . . 4.540 4.012 3.677 4.272 . 0 0 "[ . 1 . 2]" 1 656 1 23 PHE HB3 1 28 GLU HB3 . . 4.930 3.583 3.295 3.775 . 0 0 "[ . 1 . 2]" 1 657 1 23 PHE QD 1 24 GLY H . . 4.240 4.134 3.928 4.313 0.073 6 0 "[ . 1 . 2]" 1 658 1 23 PHE QD 1 28 GLU HB2 . . 4.590 3.570 3.194 4.003 . 0 0 "[ . 1 . 2]" 1 659 1 23 PHE QD 1 28 GLU HB3 . . 4.180 2.580 2.384 2.928 . 0 0 "[ . 1 . 2]" 1 660 1 23 PHE QD 1 29 ASP H . . 4.310 3.562 2.978 4.005 . 0 0 "[ . 1 . 2]" 1 661 1 23 PHE QD 1 29 ASP HA . . 3.290 3.053 2.590 3.377 0.087 4 0 "[ . 1 . 2]" 1 662 1 23 PHE QD 1 32 TYR HB2 . . 5.500 3.915 3.724 4.293 . 0 0 "[ . 1 . 2]" 1 663 1 23 PHE QD 1 86 LYS QE . . 5.500 4.879 4.242 5.448 . 0 0 "[ . 1 . 2]" 1 664 1 23 PHE QD 1 87 MET HA . . 4.740 4.093 3.782 4.416 . 0 0 "[ . 1 . 2]" 1 665 1 23 PHE QD 1 87 MET ME . . 4.030 3.006 2.854 3.417 . 0 0 "[ . 1 . 2]" 1 666 1 23 PHE QD 1 87 MET QG . . 5.500 5.010 4.729 5.247 . 0 0 "[ . 1 . 2]" 1 667 1 23 PHE QE 1 29 ASP HA . . 4.320 3.795 3.006 4.419 0.099 4 0 "[ . 1 . 2]" 1 668 1 23 PHE QE 1 32 TYR H . . 4.760 4.345 3.936 4.787 0.027 6 0 "[ . 1 . 2]" 1 669 1 23 PHE QE 1 32 TYR HB2 . . 4.700 2.295 2.150 2.496 . 0 0 "[ . 1 . 2]" 1 670 1 23 PHE QE 1 32 TYR HB3 . . 4.900 2.794 2.244 3.137 . 0 0 "[ . 1 . 2]" 1 671 1 23 PHE QE 1 32 TYR QD . . 3.410 3.063 2.813 3.242 . 0 0 "[ . 1 . 2]" 1 672 1 23 PHE QE 1 86 LYS QE . . 5.500 5.501 4.989 5.611 0.111 6 0 "[ . 1 . 2]" 1 673 1 23 PHE QE 1 87 MET H . . 5.500 4.570 4.254 4.767 . 0 0 "[ . 1 . 2]" 1 674 1 23 PHE QE 1 87 MET HA . . 3.910 2.067 1.981 2.224 . 0 0 "[ . 1 . 2]" 1 675 1 23 PHE QE 1 87 MET HB3 . . 5.500 3.597 3.265 3.982 . 0 0 "[ . 1 . 2]" 1 676 1 23 PHE QE 1 87 MET ME . . 3.190 2.789 2.648 3.072 . 0 0 "[ . 1 . 2]" 1 677 1 23 PHE QE 1 87 MET QG . . 4.350 3.973 3.616 4.186 . 0 0 "[ . 1 . 2]" 1 678 1 23 PHE QE 1 90 ARG HB2 . . 5.500 2.576 2.261 3.345 . 0 0 "[ . 1 . 2]" 1 679 1 23 PHE QE 1 90 ARG HD2 . . 5.190 4.511 3.874 4.944 . 0 0 "[ . 1 . 2]" 1 680 1 23 PHE QE 1 90 ARG HD3 . . 5.240 4.615 2.290 5.083 . 0 0 "[ . 1 . 2]" 1 681 1 23 PHE QE 1 90 ARG HG2 . . 4.660 2.488 2.089 2.815 . 0 0 "[ . 1 . 2]" 1 682 1 23 PHE QE 1 90 ARG HG3 . . 4.240 2.478 2.178 3.862 . 0 0 "[ . 1 . 2]" 1 683 1 23 PHE HZ 1 32 TYR HB2 . . 5.040 3.578 3.035 3.895 . 0 0 "[ . 1 . 2]" 1 684 1 23 PHE HZ 1 32 TYR HB3 . . 4.710 4.781 4.005 5.118 0.408 1 0 "[ . 1 . 2]" 1 685 1 23 PHE HZ 1 32 TYR QD . . 4.280 3.092 2.874 3.381 . 0 0 "[ . 1 . 2]" 1 686 1 23 PHE HZ 1 32 TYR QE . . 3.890 3.767 3.374 3.977 0.087 6 0 "[ . 1 . 2]" 1 687 1 23 PHE HZ 1 87 MET H . . 5.230 5.163 4.940 5.301 0.071 3 0 "[ . 1 . 2]" 1 688 1 23 PHE HZ 1 87 MET HA . . 4.000 2.569 2.292 2.943 . 0 0 "[ . 1 . 2]" 1 689 1 23 PHE HZ 1 87 MET HB3 . . 4.500 2.529 2.260 2.910 . 0 0 "[ . 1 . 2]" 1 690 1 23 PHE HZ 1 87 MET ME . . 3.920 3.086 2.825 3.412 . 0 0 "[ . 1 . 2]" 1 691 1 23 PHE HZ 1 87 MET QG . . 4.110 3.919 3.697 3.986 . 0 0 "[ . 1 . 2]" 1 692 1 23 PHE HZ 1 90 ARG HB2 . . 5.500 3.481 2.924 3.872 . 0 0 "[ . 1 . 2]" 1 693 1 23 PHE HZ 1 90 ARG HG2 . . 5.140 4.663 3.769 5.117 . 0 0 "[ . 1 . 2]" 1 694 1 23 PHE HZ 1 90 ARG HG3 . . 5.010 4.453 3.837 5.228 0.218 1 0 "[ . 1 . 2]" 1 695 1 23 PHE HZ 1 91 VAL QG . . 5.080 3.531 3.026 4.351 . 0 0 "[ . 1 . 2]" 1 696 1 24 GLY H 1 25 ASN H . . 3.230 2.085 1.836 2.571 . 0 0 "[ . 1 . 2]" 1 697 1 24 GLY H 1 25 ASN HA . . 4.600 4.612 4.490 4.679 0.079 18 0 "[ . 1 . 2]" 1 698 1 24 GLY H 1 29 ASP H . . 5.170 4.462 4.115 4.716 . 0 0 "[ . 1 . 2]" 1 699 1 24 GLY HA3 1 25 ASN HA . . 5.260 4.597 4.185 4.685 . 0 0 "[ . 1 . 2]" 1 700 1 25 ASN H 1 25 ASN HB2 . . 4.110 2.876 2.655 3.103 . 0 0 "[ . 1 . 2]" 1 701 1 25 ASN H 1 25 ASN QB . . 3.750 2.798 2.605 3.001 . 0 0 "[ . 1 . 2]" 1 702 1 25 ASN H 1 25 ASN HB3 . . 4.070 3.848 3.676 3.983 . 0 0 "[ . 1 . 2]" 1 703 1 25 ASN H 1 25 ASN HD21 . . 4.750 4.490 3.988 4.812 0.062 3 0 "[ . 1 . 2]" 1 704 1 25 ASN H 1 25 ASN HD22 . . 5.010 4.684 4.129 4.983 . 0 0 "[ . 1 . 2]" 1 705 1 25 ASN H 1 26 ASP H . . 4.680 4.340 4.242 4.613 . 0 0 "[ . 1 . 2]" 1 706 1 25 ASN H 1 26 ASP HA . . 5.310 4.832 4.457 5.388 0.078 18 0 "[ . 1 . 2]" 1 707 1 25 ASN H 1 28 GLU H . . 5.180 4.168 4.041 4.291 . 0 0 "[ . 1 . 2]" 1 708 1 25 ASN H 1 28 GLU HB2 . . 4.800 2.747 2.554 2.839 . 0 0 "[ . 1 . 2]" 1 709 1 25 ASN H 1 28 GLU HB3 . . 4.990 4.054 3.790 4.207 . 0 0 "[ . 1 . 2]" 1 710 1 25 ASN H 1 28 GLU HG2 . . 5.500 5.508 5.016 5.589 0.089 8 0 "[ . 1 . 2]" 1 711 1 25 ASN H 1 29 ASP H . . 4.900 3.775 3.488 4.390 . 0 0 "[ . 1 . 2]" 1 712 1 25 ASN HA 1 26 ASP H . . 3.000 2.223 2.083 2.311 . 0 0 "[ . 1 . 2]" 1 713 1 25 ASN HA 1 26 ASP HA . . 4.660 4.343 4.250 4.409 . 0 0 "[ . 1 . 2]" 1 714 1 25 ASN HA 1 26 ASP QB . . 4.070 4.061 3.875 4.161 0.091 20 0 "[ . 1 . 2]" 1 715 1 25 ASN HA 1 27 TRP H . . 5.050 4.154 3.927 4.332 . 0 0 "[ . 1 . 2]" 1 716 1 25 ASN HA 1 28 GLU H . . 5.500 4.524 4.402 4.641 . 0 0 "[ . 1 . 2]" 1 717 1 25 ASN QB 1 27 TRP HE1 . . 5.500 2.854 2.551 3.190 . 0 0 "[ . 1 . 2]" 1 718 1 25 ASN HB2 1 26 ASP H . . 3.790 3.733 3.563 3.853 0.063 16 0 "[ . 1 . 2]" 1 719 1 25 ASN HB2 1 27 TRP H . . 4.590 3.476 3.214 3.758 . 0 0 "[ . 1 . 2]" 1 720 1 25 ASN HB2 1 27 TRP HD1 . . 3.890 3.611 3.415 3.807 . 0 0 "[ . 1 . 2]" 1 721 1 25 ASN HB2 1 27 TRP HE1 . . 5.500 3.676 3.251 4.003 . 0 0 "[ . 1 . 2]" 1 722 1 25 ASN HB2 1 28 GLU H . . 5.070 2.168 1.799 2.408 . 0 0 "[ . 1 . 2]" 1 723 1 25 ASN HB2 1 28 GLU HG2 . . 5.250 3.901 3.798 4.077 . 0 0 "[ . 1 . 2]" 1 724 1 25 ASN HB3 1 27 TRP H . . 4.620 3.106 2.671 3.567 . 0 0 "[ . 1 . 2]" 1 725 1 25 ASN HB3 1 27 TRP HD1 . . 5.100 2.572 2.297 2.955 . 0 0 "[ . 1 . 2]" 1 726 1 25 ASN HB3 1 27 TRP HZ2 . . 4.880 4.952 4.765 5.189 0.309 3 0 "[ . 1 . 2]" 1 727 1 25 ASN HB3 1 28 GLU H . . 4.920 3.207 2.975 3.460 . 0 0 "[ . 1 . 2]" 1 728 1 25 ASN HB3 1 28 GLU HB2 . . 4.860 3.895 3.808 4.079 . 0 0 "[ . 1 . 2]" 1 729 1 25 ASN HB3 1 28 GLU HG3 . . 5.260 3.599 3.379 3.872 . 0 0 "[ . 1 . 2]" 1 730 1 25 ASN HD21 1 26 ASP H . . 5.500 5.530 5.222 5.580 0.080 16 0 "[ . 1 . 2]" 1 731 1 25 ASN HD21 1 27 TRP HD1 . . 4.170 4.051 3.490 4.258 0.088 5 0 "[ . 1 . 2]" 1 732 1 25 ASN HD21 1 28 GLU HG2 . . 5.500 3.768 3.341 5.579 0.079 9 0 "[ . 1 . 2]" 1 733 1 25 ASN HD22 1 28 GLU HB2 . . 5.120 4.549 4.003 4.930 . 0 0 "[ . 1 . 2]" 1 734 1 25 ASN HD22 1 28 GLU HG2 . . 5.440 4.665 3.896 5.510 0.070 9 0 "[ . 1 . 2]" 1 735 1 26 ASP H 1 26 ASP QB . . 2.960 2.200 2.120 2.318 . 0 0 "[ . 1 . 2]" 1 736 1 26 ASP H 1 27 TRP H . . 3.730 2.676 2.548 2.870 . 0 0 "[ . 1 . 2]" 1 737 1 26 ASP H 1 27 TRP HA . . 5.500 5.326 5.239 5.464 . 0 0 "[ . 1 . 2]" 1 738 1 26 ASP H 1 27 TRP QB . . 5.260 4.884 4.744 5.094 . 0 0 "[ . 1 . 2]" 1 739 1 26 ASP H 1 28 GLU H . . 5.500 4.204 4.023 4.364 . 0 0 "[ . 1 . 2]" 1 740 1 26 ASP H 1 29 ASP HB3 . . 5.500 5.230 4.819 5.570 0.070 12 0 "[ . 1 . 2]" 1 741 1 26 ASP HA 1 28 GLU H . . 5.500 4.477 4.255 4.752 . 0 0 "[ . 1 . 2]" 1 742 1 26 ASP HA 1 29 ASP H . . 4.150 3.709 3.340 4.105 . 0 0 "[ . 1 . 2]" 1 743 1 26 ASP HA 1 29 ASP HB2 . . 4.520 3.690 2.535 4.400 . 0 0 "[ . 1 . 2]" 1 744 1 26 ASP HA 1 29 ASP HB3 . . 3.590 2.758 2.187 3.274 . 0 0 "[ . 1 . 2]" 1 745 1 26 ASP HA 1 30 ARG H . . 4.550 4.129 3.809 4.492 . 0 0 "[ . 1 . 2]" 1 746 1 26 ASP QB 1 27 TRP H . . 3.460 2.719 2.421 3.118 . 0 0 "[ . 1 . 2]" 1 747 1 26 ASP QB 1 27 TRP HA . . 4.620 4.264 4.040 4.591 . 0 0 "[ . 1 . 2]" 1 748 1 26 ASP QB 1 28 GLU H . . 5.010 4.879 4.716 5.062 0.052 4 0 "[ . 1 . 2]" 1 749 1 26 ASP QB 1 30 ARG H . . 5.500 5.304 5.049 5.573 0.073 6 0 "[ . 1 . 2]" 1 750 1 27 TRP H 1 27 TRP QB . . 3.090 2.532 2.443 2.681 . 0 0 "[ . 1 . 2]" 1 751 1 27 TRP H 1 27 TRP HD1 . . 3.480 2.488 2.342 2.679 . 0 0 "[ . 1 . 2]" 1 752 1 27 TRP H 1 28 GLU H . . 3.530 2.674 2.430 2.776 . 0 0 "[ . 1 . 2]" 1 753 1 27 TRP H 1 28 GLU HA . . 5.500 5.278 5.076 5.385 . 0 0 "[ . 1 . 2]" 1 754 1 27 TRP H 1 29 ASP H . . 4.910 4.431 4.125 4.679 . 0 0 "[ . 1 . 2]" 1 755 1 27 TRP H 1 29 ASP HB3 . . 5.500 5.019 4.637 5.427 . 0 0 "[ . 1 . 2]" 1 756 1 27 TRP HA 1 27 TRP HE3 . . 4.190 4.159 4.042 4.229 0.039 12 0 "[ . 1 . 2]" 1 757 1 27 TRP HA 1 29 ASP H . . 5.290 4.774 4.574 4.902 . 0 0 "[ . 1 . 2]" 1 758 1 27 TRP HA 1 30 ARG H . . 4.360 3.449 3.258 3.782 . 0 0 "[ . 1 . 2]" 1 759 1 27 TRP HA 1 30 ARG QB . . 3.750 2.453 2.289 2.684 . 0 0 "[ . 1 . 2]" 1 760 1 27 TRP HA 1 30 ARG QD . . 4.900 2.901 2.394 3.350 . 0 0 "[ . 1 . 2]" 1 761 1 27 TRP HA 1 30 ARG HE . . 5.430 4.915 3.335 5.522 0.092 16 0 "[ . 1 . 2]" 1 762 1 27 TRP HA 1 30 ARG HG2 . . 5.500 5.168 4.961 5.371 . 0 0 "[ . 1 . 2]" 1 763 1 27 TRP HA 1 30 ARG HG3 . . 5.500 4.753 4.543 5.030 . 0 0 "[ . 1 . 2]" 1 764 1 27 TRP HA 1 31 TYR H . . 5.150 3.714 3.606 3.833 . 0 0 "[ . 1 . 2]" 1 765 1 27 TRP QB 1 27 TRP HD1 . . 2.930 2.659 2.604 2.741 . 0 0 "[ . 1 . 2]" 1 766 1 27 TRP QB 1 27 TRP HE3 . . 3.200 2.720 2.674 2.807 . 0 0 "[ . 1 . 2]" 1 767 1 27 TRP QB 1 28 GLU HG2 . . 5.330 5.376 5.190 5.421 0.091 2 0 "[ . 1 . 2]" 1 768 1 27 TRP QB 1 30 ARG QD . . 3.550 3.562 3.221 3.659 0.109 4 0 "[ . 1 . 2]" 1 769 1 27 TRP QB 1 31 TYR HB2 . . 5.460 4.044 3.789 4.554 . 0 0 "[ . 1 . 2]" 1 770 1 27 TRP HD1 1 28 GLU H . . 4.410 3.678 3.564 3.792 . 0 0 "[ . 1 . 2]" 1 771 1 27 TRP HD1 1 28 GLU HB2 . . 5.360 5.435 5.418 5.444 0.084 19 0 "[ . 1 . 2]" 1 772 1 27 TRP HD1 1 28 GLU HG3 . . 5.070 4.515 4.273 4.767 . 0 0 "[ . 1 . 2]" 1 773 1 27 TRP HE3 1 28 GLU H . . 4.110 3.686 3.629 3.738 . 0 0 "[ . 1 . 2]" 1 774 1 27 TRP HE3 1 28 GLU HA . . 4.150 2.786 2.667 2.998 . 0 0 "[ . 1 . 2]" 1 775 1 27 TRP HE3 1 28 GLU HB2 . . 5.110 5.096 4.995 5.182 0.072 5 0 "[ . 1 . 2]" 1 776 1 27 TRP HE3 1 28 GLU HG2 . . 3.520 3.586 3.507 3.601 0.081 14 0 "[ . 1 . 2]" 1 777 1 27 TRP HE3 1 28 GLU HG3 . . 4.530 3.891 3.632 4.085 . 0 0 "[ . 1 . 2]" 1 778 1 27 TRP HE3 1 30 ARG QD . . 5.500 4.605 4.270 5.067 . 0 0 "[ . 1 . 2]" 1 779 1 27 TRP HE3 1 31 TYR H . . 5.500 4.004 3.779 4.340 . 0 0 "[ . 1 . 2]" 1 780 1 27 TRP HE3 1 31 TYR HB2 . . 4.760 2.856 2.593 3.527 . 0 0 "[ . 1 . 2]" 1 781 1 27 TRP HE3 1 31 TYR HB3 . . 5.000 2.965 2.723 3.355 . 0 0 "[ . 1 . 2]" 1 782 1 27 TRP HE3 1 31 TYR QD . . 3.730 3.763 3.453 3.826 0.096 10 0 "[ . 1 . 2]" 1 783 1 27 TRP HE3 1 83 THR MG . . 4.530 4.227 3.825 4.614 0.084 9 0 "[ . 1 . 2]" 1 784 1 27 TRP HH2 1 28 GLU HG2 . . 5.290 3.129 2.985 3.244 . 0 0 "[ . 1 . 2]" 1 785 1 27 TRP HH2 1 28 GLU HG3 . . 5.290 3.729 3.576 3.897 . 0 0 "[ . 1 . 2]" 1 786 1 27 TRP HH2 1 83 THR MG . . 3.310 2.236 2.101 2.822 . 0 0 "[ . 1 . 2]" 1 787 1 27 TRP HH2 1 87 MET ME . . 4.580 3.978 3.817 4.306 . 0 0 "[ . 1 . 2]" 1 788 1 27 TRP HZ2 1 28 GLU HA . . 5.500 5.524 5.402 5.580 0.080 4 0 "[ . 1 . 2]" 1 789 1 27 TRP HZ2 1 28 GLU HG2 . . 5.430 3.825 3.609 4.018 . 0 0 "[ . 1 . 2]" 1 790 1 27 TRP HZ2 1 28 GLU HG3 . . 5.210 3.194 3.087 3.276 . 0 0 "[ . 1 . 2]" 1 791 1 27 TRP HZ2 1 87 MET ME . . 5.170 5.261 5.234 5.276 0.106 14 0 "[ . 1 . 2]" 1 792 1 27 TRP HZ3 1 28 GLU H . . 5.030 5.110 5.100 5.115 0.085 16 0 "[ . 1 . 2]" 1 793 1 27 TRP HZ3 1 28 GLU HA . . 4.020 3.339 3.165 3.528 . 0 0 "[ . 1 . 2]" 1 794 1 27 TRP HZ3 1 28 GLU HB3 . . 5.360 5.161 4.992 5.254 . 0 0 "[ . 1 . 2]" 1 795 1 27 TRP HZ3 1 28 GLU HG2 . . 4.390 2.925 2.803 3.047 . 0 0 "[ . 1 . 2]" 1 796 1 27 TRP HZ3 1 28 GLU HG3 . . 4.150 3.988 3.776 4.224 0.074 9 0 "[ . 1 . 2]" 1 797 1 27 TRP HZ3 1 31 TYR HB3 . . 4.950 3.642 3.331 4.133 . 0 0 "[ . 1 . 2]" 1 798 1 27 TRP HZ3 1 83 THR MG . . 3.600 2.345 2.110 2.670 . 0 0 "[ . 1 . 2]" 1 799 1 27 TRP HZ3 1 87 MET ME . . 4.310 3.284 2.944 3.888 . 0 0 "[ . 1 . 2]" 1 800 1 28 GLU H 1 28 GLU HB2 . . 3.750 2.297 2.201 2.391 . 0 0 "[ . 1 . 2]" 1 801 1 28 GLU H 1 28 GLU HG2 . . 4.340 3.537 3.334 3.654 . 0 0 "[ . 1 . 2]" 1 802 1 28 GLU H 1 28 GLU HG3 . . 4.670 2.592 2.317 2.862 . 0 0 "[ . 1 . 2]" 1 803 1 28 GLU H 1 29 ASP H . . 3.650 2.852 2.713 3.024 . 0 0 "[ . 1 . 2]" 1 804 1 28 GLU H 1 29 ASP HB3 . . 5.500 4.614 4.289 4.876 . 0 0 "[ . 1 . 2]" 1 805 1 28 GLU HA 1 28 GLU HG3 . . 4.060 2.981 2.855 3.130 . 0 0 "[ . 1 . 2]" 1 806 1 28 GLU HA 1 30 ARG H . . 5.500 4.712 4.465 4.833 . 0 0 "[ . 1 . 2]" 1 807 1 28 GLU HA 1 31 TYR H . . 4.460 3.469 3.355 3.605 . 0 0 "[ . 1 . 2]" 1 808 1 28 GLU HA 1 31 TYR HA . . 5.500 5.460 5.250 5.570 0.070 8 0 "[ . 1 . 2]" 1 809 1 28 GLU HA 1 31 TYR HB2 . . 4.450 3.883 3.576 4.178 . 0 0 "[ . 1 . 2]" 1 810 1 28 GLU HA 1 31 TYR HB3 . . 4.180 2.612 2.342 2.761 . 0 0 "[ . 1 . 2]" 1 811 1 28 GLU HA 1 31 TYR QD . . 4.660 3.437 2.678 3.809 . 0 0 "[ . 1 . 2]" 1 812 1 28 GLU HA 1 32 TYR H . . 4.900 3.630 3.428 3.751 . 0 0 "[ . 1 . 2]" 1 813 1 28 GLU HA 1 87 MET ME . . 3.440 2.474 2.292 2.853 . 0 0 "[ . 1 . 2]" 1 814 1 28 GLU HB2 1 29 ASP H . . 4.020 2.564 2.399 2.738 . 0 0 "[ . 1 . 2]" 1 815 1 28 GLU HB2 1 29 ASP HB2 . . 5.290 4.578 4.141 5.163 . 0 0 "[ . 1 . 2]" 1 816 1 28 GLU HB2 1 87 MET ME . . 3.540 3.568 3.476 3.622 0.082 6 0 "[ . 1 . 2]" 1 817 1 28 GLU HB3 1 29 ASP H . . 4.530 3.222 3.111 3.486 . 0 0 "[ . 1 . 2]" 1 818 1 28 GLU HB3 1 87 MET ME . . 3.250 2.152 2.027 2.228 . 0 0 "[ . 1 . 2]" 1 819 1 28 GLU HG2 1 29 ASP H . . 5.450 4.899 4.783 5.025 . 0 0 "[ . 1 . 2]" 1 820 1 28 GLU HG2 1 83 THR MG . . 5.500 3.894 3.611 4.074 . 0 0 "[ . 1 . 2]" 1 821 1 28 GLU HG2 1 87 MET ME . . 4.030 2.284 2.115 2.612 . 0 0 "[ . 1 . 2]" 1 822 1 28 GLU HG3 1 83 THR MG . . 4.920 4.955 4.790 5.021 0.101 16 0 "[ . 1 . 2]" 1 823 1 29 ASP H 1 29 ASP HB2 . . 3.650 2.440 2.188 2.770 . 0 0 "[ . 1 . 2]" 1 824 1 29 ASP H 1 29 ASP HB3 . . 3.570 2.380 2.173 2.756 . 0 0 "[ . 1 . 2]" 1 825 1 29 ASP H 1 30 ARG H . . 3.620 3.072 2.962 3.266 . 0 0 "[ . 1 . 2]" 1 826 1 29 ASP H 1 87 MET ME . . 5.290 4.444 4.184 4.876 . 0 0 "[ . 1 . 2]" 1 827 1 29 ASP HA 1 30 ARG HA . . 4.820 4.806 4.717 4.873 0.053 15 0 "[ . 1 . 2]" 1 828 1 29 ASP HA 1 31 TYR H . . 5.500 4.787 4.596 4.993 . 0 0 "[ . 1 . 2]" 1 829 1 29 ASP HA 1 32 TYR H . . 4.520 4.125 3.923 4.500 . 0 0 "[ . 1 . 2]" 1 830 1 29 ASP HA 1 32 TYR HB2 . . 4.680 4.184 3.888 4.745 0.065 4 0 "[ . 1 . 2]" 1 831 1 29 ASP HA 1 32 TYR HB3 . . 4.360 3.073 2.840 3.958 . 0 0 "[ . 1 . 2]" 1 832 1 29 ASP HA 1 32 TYR QD . . 5.010 3.894 3.561 4.759 . 0 0 "[ . 1 . 2]" 1 833 1 29 ASP HA 1 33 ARG H . . 5.010 4.132 3.946 4.674 . 0 0 "[ . 1 . 2]" 1 834 1 29 ASP HA 1 87 MET ME . . 5.170 4.649 4.486 5.026 . 0 0 "[ . 1 . 2]" 1 835 1 29 ASP HB2 1 30 ARG H . . 3.990 3.837 3.683 4.035 0.045 6 0 "[ . 1 . 2]" 1 836 1 29 ASP HB3 1 30 ARG H . . 3.950 2.417 2.266 2.704 . 0 0 "[ . 1 . 2]" 1 837 1 30 ARG H 1 30 ARG QB . . 3.080 2.095 2.007 2.167 . 0 0 "[ . 1 . 2]" 1 838 1 30 ARG H 1 30 ARG QD . . 4.820 3.967 3.611 4.362 . 0 0 "[ . 1 . 2]" 1 839 1 30 ARG H 1 30 ARG HG2 . . 4.260 4.343 4.339 4.347 0.087 11 0 "[ . 1 . 2]" 1 840 1 30 ARG H 1 30 ARG HG3 . . 4.610 4.549 4.456 4.620 0.010 8 0 "[ . 1 . 2]" 1 841 1 30 ARG H 1 31 TYR H . . 3.660 2.842 2.714 2.984 . 0 0 "[ . 1 . 2]" 1 842 1 30 ARG H 1 32 TYR H . . 5.280 4.451 4.280 4.681 . 0 0 "[ . 1 . 2]" 1 843 1 30 ARG HA 1 30 ARG QD . . 4.340 3.964 3.784 4.204 . 0 0 "[ . 1 . 2]" 1 844 1 30 ARG HA 1 30 ARG HG2 . . 3.600 2.683 2.498 2.914 . 0 0 "[ . 1 . 2]" 1 845 1 30 ARG HA 1 30 ARG HG3 . . 3.960 3.433 2.983 3.689 . 0 0 "[ . 1 . 2]" 1 846 1 30 ARG HA 1 32 TYR H . . 5.500 4.696 4.548 4.876 . 0 0 "[ . 1 . 2]" 1 847 1 30 ARG HA 1 33 ARG H . . 4.200 3.533 3.345 3.873 . 0 0 "[ . 1 . 2]" 1 848 1 30 ARG HA 1 33 ARG HB2 . . 3.720 2.380 2.196 2.825 . 0 0 "[ . 1 . 2]" 1 849 1 30 ARG HA 1 33 ARG HB3 . . 4.140 3.666 3.303 3.953 . 0 0 "[ . 1 . 2]" 1 850 1 30 ARG HA 1 33 ARG HD2 . . 4.790 4.277 2.163 4.866 0.076 4 0 "[ . 1 . 2]" 1 851 1 30 ARG HA 1 33 ARG HD3 . . 4.790 2.973 2.431 3.830 . 0 0 "[ . 1 . 2]" 1 852 1 30 ARG HA 1 34 GLU H . . 5.050 4.050 3.899 4.485 . 0 0 "[ . 1 . 2]" 1 853 1 30 ARG HA 1 34 GLU HG3 . . 5.330 4.319 3.918 4.754 . 0 0 "[ . 1 . 2]" 1 854 1 30 ARG QB 1 30 ARG QD . . 3.160 2.098 2.034 2.156 . 0 0 "[ . 1 . 2]" 1 855 1 30 ARG QB 1 30 ARG HE . . 4.990 3.645 2.938 4.061 . 0 0 "[ . 1 . 2]" 1 856 1 30 ARG QB 1 31 TYR H . . 3.560 2.649 2.293 3.042 . 0 0 "[ . 1 . 2]" 1 857 1 30 ARG QB 1 32 TYR H . . 5.230 4.900 4.649 5.294 0.064 20 0 "[ . 1 . 2]" 1 858 1 30 ARG QD 1 31 TYR H . . 5.090 2.851 2.411 3.541 . 0 0 "[ . 1 . 2]" 1 859 1 30 ARG QD 1 31 TYR HA . . 4.580 2.787 2.306 3.541 . 0 0 "[ . 1 . 2]" 1 860 1 30 ARG QD 1 34 GLU HG2 . . 5.500 4.800 3.682 5.570 0.070 8 0 "[ . 1 . 2]" 1 861 1 30 ARG HG2 1 31 TYR H . . 5.150 3.805 3.451 4.025 . 0 0 "[ . 1 . 2]" 1 862 1 30 ARG HG2 1 33 ARG HB3 . . 4.700 4.756 4.626 4.788 0.088 13 0 "[ . 1 . 2]" 1 863 1 30 ARG HG2 1 34 GLU H . . 5.500 3.902 3.830 4.213 . 0 0 "[ . 1 . 2]" 1 864 1 30 ARG HG2 1 34 GLU HG2 . . 4.760 3.729 3.176 4.116 . 0 0 "[ . 1 . 2]" 1 865 1 30 ARG HG3 1 31 TYR H . . 4.810 4.709 4.593 4.821 0.011 1 0 "[ . 1 . 2]" 1 866 1 30 ARG HG3 1 31 TYR HA . . 5.010 5.061 4.909 5.090 0.080 14 0 "[ . 1 . 2]" 1 867 1 30 ARG HG3 1 34 GLU H . . 5.500 5.571 5.541 5.586 0.086 6 0 "[ . 1 . 2]" 1 868 1 30 ARG HG3 1 34 GLU HG2 . . 4.960 4.958 4.569 5.034 0.074 8 0 "[ . 1 . 2]" 1 869 1 30 ARG HG3 1 34 GLU HG3 . . 5.500 3.995 3.554 4.279 . 0 0 "[ . 1 . 2]" 1 870 1 31 TYR H 1 31 TYR HB2 . . 3.670 2.636 2.542 2.854 . 0 0 "[ . 1 . 2]" 1 871 1 31 TYR H 1 31 TYR HB3 . . 3.710 2.351 2.172 2.489 . 0 0 "[ . 1 . 2]" 1 872 1 31 TYR H 1 31 TYR QD . . 4.350 4.170 4.070 4.223 . 0 0 "[ . 1 . 2]" 1 873 1 31 TYR H 1 32 TYR H . . 3.790 2.679 2.596 2.796 . 0 0 "[ . 1 . 2]" 1 874 1 31 TYR H 1 32 TYR HA . . 5.500 5.295 5.219 5.424 . 0 0 "[ . 1 . 2]" 1 875 1 31 TYR H 1 33 ARG H . . 5.270 4.137 3.997 4.484 . 0 0 "[ . 1 . 2]" 1 876 1 31 TYR HA 1 31 TYR QD . . 3.540 2.386 2.233 2.503 . 0 0 "[ . 1 . 2]" 1 877 1 31 TYR HA 1 32 TYR HA . . 4.860 4.867 4.808 4.928 0.068 20 0 "[ . 1 . 2]" 1 878 1 31 TYR HA 1 33 ARG HB2 . . 5.500 5.157 4.937 5.494 . 0 0 "[ . 1 . 2]" 1 879 1 31 TYR HA 1 34 GLU H . . 4.330 3.420 3.153 3.612 . 0 0 "[ . 1 . 2]" 1 880 1 31 TYR HA 1 34 GLU QB . . 3.840 2.889 2.519 3.293 . 0 0 "[ . 1 . 2]" 1 881 1 31 TYR HA 1 34 GLU HG2 . . 5.460 4.823 4.007 5.235 . 0 0 "[ . 1 . 2]" 1 882 1 31 TYR HA 1 34 GLU HG3 . . 5.500 3.261 2.279 3.807 . 0 0 "[ . 1 . 2]" 1 883 1 31 TYR HA 1 35 ASN H . . 5.130 4.837 4.513 5.025 . 0 0 "[ . 1 . 2]" 1 884 1 31 TYR HA 1 35 ASN HD21 . . 4.540 3.947 3.358 4.615 0.075 12 0 "[ . 1 . 2]" 1 885 1 31 TYR HA 1 35 ASN HD22 . . 4.160 3.930 3.422 4.429 0.269 18 0 "[ . 1 . 2]" 1 886 1 31 TYR HB2 1 32 TYR H . . 4.940 3.905 3.749 4.042 . 0 0 "[ . 1 . 2]" 1 887 1 31 TYR HB2 1 87 MET ME . . 5.500 4.843 4.330 5.269 . 0 0 "[ . 1 . 2]" 1 888 1 31 TYR HB3 1 32 TYR H . . 4.240 2.541 2.326 2.740 . 0 0 "[ . 1 . 2]" 1 889 1 31 TYR HB3 1 32 TYR HA . . 5.310 4.494 4.361 4.653 . 0 0 "[ . 1 . 2]" 1 890 1 31 TYR HB3 1 83 THR MG . . 5.500 4.666 4.138 5.137 . 0 0 "[ . 1 . 2]" 1 891 1 31 TYR HB3 1 87 MET ME . . 3.780 3.437 2.858 3.829 0.049 13 0 "[ . 1 . 2]" 1 892 1 31 TYR QD 1 32 TYR H . . 3.970 3.644 3.302 3.794 . 0 0 "[ . 1 . 2]" 1 893 1 31 TYR QD 1 32 TYR HA . . 4.150 4.209 4.065 4.251 0.101 11 0 "[ . 1 . 2]" 1 894 1 31 TYR QD 1 34 GLU QB . . 5.400 3.518 2.993 4.033 . 0 0 "[ . 1 . 2]" 1 895 1 31 TYR QD 1 35 ASN HD21 . . 4.640 3.155 2.286 3.835 . 0 0 "[ . 1 . 2]" 1 896 1 31 TYR QD 1 35 ASN HD22 . . 4.860 2.715 2.392 3.132 . 0 0 "[ . 1 . 2]" 1 897 1 31 TYR QD 1 83 THR MG . . 3.600 3.039 2.574 3.505 . 0 0 "[ . 1 . 2]" 1 898 1 31 TYR QD 1 87 MET ME . . 3.140 2.647 2.222 2.942 . 0 0 "[ . 1 . 2]" 1 899 1 31 TYR QE 1 35 ASN HB2 . . 5.440 4.755 2.990 5.433 . 0 0 "[ . 1 . 2]" 1 900 1 31 TYR QE 1 35 ASN HD21 . . 3.340 3.104 2.487 3.415 0.075 17 0 "[ . 1 . 2]" 1 901 1 31 TYR QE 1 35 ASN HD22 . . 2.400 2.506 2.246 3.028 0.628 13 1 "[ . 1 + . 2]" 1 902 1 31 TYR QE 1 83 THR HB . . 4.250 3.786 2.642 4.323 0.073 13 0 "[ . 1 . 2]" 1 903 1 31 TYR QE 1 83 THR MG . . 3.460 2.415 2.142 3.081 . 0 0 "[ . 1 . 2]" 1 904 1 31 TYR QE 1 84 ASP HA . . 4.740 3.194 2.557 3.612 . 0 0 "[ . 1 . 2]" 1 905 1 31 TYR QE 1 87 MET ME . . 4.010 3.885 2.832 4.128 0.118 17 0 "[ . 1 . 2]" 1 906 1 31 TYR QE 1 87 MET QG . . 4.160 2.818 2.000 3.502 . 0 0 "[ . 1 . 2]" 1 907 1 32 TYR H 1 32 TYR HB2 . . 3.850 2.468 2.344 2.587 . 0 0 "[ . 1 . 2]" 1 908 1 32 TYR H 1 32 TYR HB3 . . 3.800 2.375 2.269 2.444 . 0 0 "[ . 1 . 2]" 1 909 1 32 TYR H 1 32 TYR QD . . 4.130 4.132 4.083 4.170 0.040 5 0 "[ . 1 . 2]" 1 910 1 32 TYR H 1 33 ARG H . . 3.990 2.822 2.709 2.948 . 0 0 "[ . 1 . 2]" 1 911 1 32 TYR H 1 34 GLU H . . 5.500 4.365 4.207 4.656 . 0 0 "[ . 1 . 2]" 1 912 1 32 TYR H 1 87 MET ME . . 3.810 3.444 3.136 3.814 0.004 13 0 "[ . 1 . 2]" 1 913 1 32 TYR HA 1 32 TYR QD . . 3.320 2.624 2.392 2.823 . 0 0 "[ . 1 . 2]" 1 914 1 32 TYR HA 1 32 TYR QE . . 4.900 4.589 4.329 4.737 . 0 0 "[ . 1 . 2]" 1 915 1 32 TYR HA 1 33 ARG HA . . 5.480 4.902 4.785 5.018 . 0 0 "[ . 1 . 2]" 1 916 1 32 TYR HA 1 35 ASN H . . 4.100 3.657 3.432 3.814 . 0 0 "[ . 1 . 2]" 1 917 1 32 TYR HA 1 35 ASN HB2 . . 4.940 4.057 3.228 5.032 0.092 20 0 "[ . 1 . 2]" 1 918 1 32 TYR HA 1 35 ASN HD22 . . 5.500 5.125 3.999 6.209 0.709 4 2 "[ +. 1 . - 2]" 1 919 1 32 TYR HA 1 36 MET HA . . 5.390 4.428 3.835 4.946 . 0 0 "[ . 1 . 2]" 1 920 1 32 TYR HA 1 39 TYR QE . . 3.750 2.337 2.098 2.543 . 0 0 "[ . 1 . 2]" 1 921 1 32 TYR HA 1 87 MET HB2 . . 5.260 5.230 4.833 5.342 0.082 20 0 "[ . 1 . 2]" 1 922 1 32 TYR HA 1 87 MET HB3 . . 5.470 4.391 4.118 4.668 . 0 0 "[ . 1 . 2]" 1 923 1 32 TYR HA 1 87 MET ME . . 5.330 4.174 3.831 4.507 . 0 0 "[ . 1 . 2]" 1 924 1 32 TYR HB2 1 33 ARG H . . 4.480 3.816 3.690 3.933 . 0 0 "[ . 1 . 2]" 1 925 1 32 TYR HB2 1 87 MET ME . . 3.890 2.690 2.284 2.940 . 0 0 "[ . 1 . 2]" 1 926 1 32 TYR HB3 1 33 ARG H . . 4.010 2.423 2.229 2.605 . 0 0 "[ . 1 . 2]" 1 927 1 32 TYR HB3 1 87 MET ME . . 4.380 3.876 3.505 4.027 . 0 0 "[ . 1 . 2]" 1 928 1 32 TYR QD 1 33 ARG H . . 3.920 3.296 3.049 3.597 . 0 0 "[ . 1 . 2]" 1 929 1 32 TYR QD 1 33 ARG HA . . 4.700 3.747 3.436 4.012 . 0 0 "[ . 1 . 2]" 1 930 1 32 TYR QD 1 33 ARG HG2 . . 5.500 4.589 3.962 5.444 . 0 0 "[ . 1 . 2]" 1 931 1 32 TYR QD 1 33 ARG HG3 . . 4.030 3.237 2.854 3.907 . 0 0 "[ . 1 . 2]" 1 932 1 32 TYR QD 1 36 MET ME . . 4.370 3.930 3.459 4.457 0.087 13 0 "[ . 1 . 2]" 1 933 1 32 TYR QD 1 39 TYR QE . . 3.240 2.675 2.263 3.084 . 0 0 "[ . 1 . 2]" 1 934 1 32 TYR QD 1 87 MET HB2 . . 4.080 3.700 3.341 4.050 . 0 0 "[ . 1 . 2]" 1 935 1 32 TYR QD 1 87 MET HB3 . . 4.070 2.445 2.237 2.586 . 0 0 "[ . 1 . 2]" 1 936 1 32 TYR QD 1 87 MET ME . . 4.470 3.867 3.537 4.102 . 0 0 "[ . 1 . 2]" 1 937 1 32 TYR QD 1 87 MET QG . . 5.500 3.803 3.198 4.189 . 0 0 "[ . 1 . 2]" 1 938 1 32 TYR QD 1 91 VAL QG . . 4.510 3.672 3.229 4.040 . 0 0 "[ . 1 . 2]" 1 939 1 32 TYR QE 1 36 MET HA . . 4.700 3.770 3.475 4.166 . 0 0 "[ . 1 . 2]" 1 940 1 32 TYR QE 1 36 MET HB2 . . 5.130 3.906 3.592 4.368 . 0 0 "[ . 1 . 2]" 1 941 1 32 TYR QE 1 36 MET ME . . 3.550 3.208 2.705 3.657 0.107 3 0 "[ . 1 . 2]" 1 942 1 32 TYR QE 1 91 VAL H . . 4.760 4.784 4.314 4.862 0.102 8 0 "[ . 1 . 2]" 1 943 1 32 TYR QE 1 91 VAL HB . . 4.680 4.134 3.158 4.538 . 0 0 "[ . 1 . 2]" 1 944 1 32 TYR QE 1 91 VAL QG . . 3.260 2.030 1.892 2.235 . 0 0 "[ . 1 . 2]" 1 945 1 33 ARG H 1 33 ARG HB2 . . 3.830 2.164 2.000 2.301 . 0 0 "[ . 1 . 2]" 1 946 1 33 ARG H 1 33 ARG HB3 . . 3.610 3.461 3.237 3.569 . 0 0 "[ . 1 . 2]" 1 947 1 33 ARG H 1 33 ARG HD2 . . 4.990 4.640 3.826 5.068 0.078 4 0 "[ . 1 . 2]" 1 948 1 33 ARG H 1 33 ARG HD3 . . 4.800 4.030 3.460 4.871 0.071 8 0 "[ . 1 . 2]" 1 949 1 33 ARG H 1 33 ARG HG2 . . 4.460 4.026 3.821 4.395 . 0 0 "[ . 1 . 2]" 1 950 1 33 ARG H 1 33 ARG HG3 . . 3.390 2.863 2.515 3.459 0.069 15 0 "[ . 1 . 2]" 1 951 1 33 ARG HA 1 33 ARG HD2 . . 4.900 4.568 4.247 4.739 . 0 0 "[ . 1 . 2]" 1 952 1 33 ARG HA 1 33 ARG HD3 . . 5.010 4.435 4.240 4.541 . 0 0 "[ . 1 . 2]" 1 953 1 33 ARG HA 1 33 ARG HG2 . . 3.970 2.481 2.241 2.664 . 0 0 "[ . 1 . 2]" 1 954 1 33 ARG HA 1 33 ARG HG3 . . 4.210 2.539 2.227 2.767 . 0 0 "[ . 1 . 2]" 1 955 1 33 ARG HA 1 34 GLU HA . . 5.110 4.748 4.708 4.830 . 0 0 "[ . 1 . 2]" 1 956 1 33 ARG HA 1 34 GLU QB . . 5.450 5.493 5.404 5.539 0.089 10 0 "[ . 1 . 2]" 1 957 1 33 ARG HA 1 36 MET H . . 4.960 3.408 3.200 3.669 . 0 0 "[ . 1 . 2]" 1 958 1 33 ARG HA 1 36 MET ME . . 3.590 2.896 2.063 3.496 . 0 0 "[ . 1 . 2]" 1 959 1 33 ARG HA 1 36 MET HG2 . . 4.870 3.387 2.667 4.519 . 0 0 "[ . 1 . 2]" 1 960 1 33 ARG HA 1 36 MET HG3 . . 5.500 4.597 4.342 5.114 . 0 0 "[ . 1 . 2]" 1 961 1 33 ARG HB2 1 33 ARG HE . . 5.050 3.910 3.004 4.756 . 0 0 "[ . 1 . 2]" 1 962 1 33 ARG HB2 1 34 GLU HG3 . . 4.730 4.374 3.682 4.805 0.075 17 0 "[ . 1 . 2]" 1 963 1 33 ARG HB3 1 33 ARG HE . . 5.050 3.307 2.269 4.889 . 0 0 "[ . 1 . 2]" 1 964 1 33 ARG HB3 1 34 GLU HG2 . . 4.140 4.072 3.727 4.223 0.083 14 0 "[ . 1 . 2]" 1 965 1 33 ARG HG2 1 36 MET ME . . 2.970 3.000 2.522 3.074 0.104 7 0 "[ . 1 . 2]" 1 966 1 34 GLU H 1 34 GLU QB . . 3.170 2.436 2.293 2.641 . 0 0 "[ . 1 . 2]" 1 967 1 34 GLU H 1 34 GLU HG2 . . 3.680 3.007 2.555 3.378 . 0 0 "[ . 1 . 2]" 1 968 1 34 GLU H 1 34 GLU HG3 . . 3.980 2.579 2.277 3.128 . 0 0 "[ . 1 . 2]" 1 969 1 34 GLU H 1 35 ASN H . . 3.100 2.875 2.759 2.945 . 0 0 "[ . 1 . 2]" 1 970 1 34 GLU H 1 35 ASN HA . . 5.500 5.504 5.400 5.569 0.069 12 0 "[ . 1 . 2]" 1 971 1 34 GLU H 1 35 ASN HD21 . . 5.370 4.447 3.845 5.244 . 0 0 "[ . 1 . 2]" 1 972 1 34 GLU H 1 35 ASN HD22 . . 5.500 4.968 4.455 5.414 . 0 0 "[ . 1 . 2]" 1 973 1 34 GLU HA 1 34 GLU HG2 . . 3.500 2.350 2.193 2.535 . 0 0 "[ . 1 . 2]" 1 974 1 34 GLU HA 1 34 GLU HG3 . . 3.530 3.401 3.023 3.610 0.080 11 0 "[ . 1 . 2]" 1 975 1 34 GLU HA 1 35 ASN HA . . 5.460 4.592 4.406 4.700 . 0 0 "[ . 1 . 2]" 1 976 1 34 GLU HA 1 35 ASN HD21 . . 5.500 5.118 4.214 5.505 0.005 11 0 "[ . 1 . 2]" 1 977 1 34 GLU HA 1 36 MET H . . 4.810 4.387 4.078 4.772 . 0 0 "[ . 1 . 2]" 1 978 1 34 GLU QB 1 35 ASN H . . 3.870 3.190 2.717 3.445 . 0 0 "[ . 1 . 2]" 1 979 1 34 GLU QB 1 35 ASN HA . . 4.750 4.329 4.024 4.539 . 0 0 "[ . 1 . 2]" 1 980 1 34 GLU QB 1 35 ASN HD21 . . 4.510 2.886 2.423 3.231 . 0 0 "[ . 1 . 2]" 1 981 1 34 GLU QB 1 35 ASN HD22 . . 4.440 3.067 2.565 3.882 . 0 0 "[ . 1 . 2]" 1 982 1 34 GLU HG2 1 35 ASN H . . 5.500 5.036 4.866 5.194 . 0 0 "[ . 1 . 2]" 1 983 1 34 GLU HG3 1 35 ASN H . . 5.340 4.925 4.539 5.302 . 0 0 "[ . 1 . 2]" 1 984 1 34 GLU HG3 1 35 ASN HD21 . . 5.500 5.165 4.678 5.593 0.093 4 0 "[ . 1 . 2]" 1 985 1 35 ASN H 1 35 ASN HB2 . . 3.800 3.074 2.495 3.828 0.028 11 0 "[ . 1 . 2]" 1 986 1 35 ASN H 1 35 ASN HB3 . . 3.930 3.711 3.424 3.885 . 0 0 "[ . 1 . 2]" 1 987 1 35 ASN H 1 35 ASN HD21 . . 4.500 3.263 2.958 4.111 . 0 0 "[ . 1 . 2]" 1 988 1 35 ASN H 1 35 ASN HD22 . . 4.170 4.082 3.521 4.533 0.363 18 0 "[ . 1 . 2]" 1 989 1 35 ASN H 1 36 MET H . . 3.360 2.246 2.041 2.593 . 0 0 "[ . 1 . 2]" 1 990 1 35 ASN H 1 36 MET HA . . 4.410 4.217 3.998 4.475 0.065 3 0 "[ . 1 . 2]" 1 991 1 35 ASN HA 1 35 ASN HD22 . . 5.340 4.696 4.177 5.236 . 0 0 "[ . 1 . 2]" 1 992 1 35 ASN HA 1 37 TYR H . . 5.420 3.795 3.348 4.604 . 0 0 "[ . 1 . 2]" 1 993 1 35 ASN HA 1 37 TYR QD . . 3.710 3.754 3.550 3.802 0.092 12 0 "[ . 1 . 2]" 1 994 1 35 ASN HA 1 37 TYR QE . . 3.290 2.871 2.427 3.222 . 0 0 "[ . 1 . 2]" 1 995 1 35 ASN HA 1 38 ARG H . . 5.190 3.557 3.024 4.110 . 0 0 "[ . 1 . 2]" 1 996 1 35 ASN HA 1 38 ARG HD2 . . 5.500 5.128 3.238 5.582 0.082 8 0 "[ . 1 . 2]" 1 997 1 35 ASN HA 1 38 ARG HD3 . . 5.460 5.126 4.625 5.537 0.077 12 0 "[ . 1 . 2]" 1 998 1 35 ASN HA 1 38 ARG HG2 . . 5.320 2.856 2.298 4.335 . 0 0 "[ . 1 . 2]" 1 999 1 35 ASN HA 1 38 ARG HG3 . . 5.500 3.113 2.254 3.461 . 0 0 "[ . 1 . 2]" 1 1000 1 36 MET H 1 36 MET HB3 . . 3.860 2.485 1.926 2.678 . 0 0 "[ . 1 . 2]" 1 1001 1 36 MET H 1 36 MET ME . . 4.680 4.296 3.805 4.564 . 0 0 "[ . 1 . 2]" 1 1002 1 36 MET H 1 36 MET HG2 . . 3.960 2.227 1.955 3.894 . 0 0 "[ . 1 . 2]" 1 1003 1 36 MET H 1 36 MET HG3 . . 4.520 3.364 2.639 4.057 . 0 0 "[ . 1 . 2]" 1 1004 1 36 MET H 1 37 TYR H . . 4.130 2.994 2.784 3.259 . 0 0 "[ . 1 . 2]" 1 1005 1 36 MET H 1 37 TYR QD . . 4.590 4.419 4.193 4.658 0.068 19 0 "[ . 1 . 2]" 1 1006 1 36 MET H 1 39 TYR QD . . 5.090 4.292 3.862 4.844 . 0 0 "[ . 1 . 2]" 1 1007 1 36 MET H 1 39 TYR QE . . 4.970 4.418 3.990 4.997 0.027 20 0 "[ . 1 . 2]" 1 1008 1 36 MET HA 1 36 MET ME . . 4.820 4.234 4.038 4.733 . 0 0 "[ . 1 . 2]" 1 1009 1 36 MET HA 1 38 ARG H . . 5.040 3.925 3.694 4.272 . 0 0 "[ . 1 . 2]" 1 1010 1 36 MET HA 1 39 TYR H . . 4.680 3.801 3.553 4.231 . 0 0 "[ . 1 . 2]" 1 1011 1 36 MET HA 1 39 TYR QD . . 3.190 2.129 2.031 2.462 . 0 0 "[ . 1 . 2]" 1 1012 1 36 MET HA 1 39 TYR QE . . 3.880 3.460 2.504 3.964 0.084 15 0 "[ . 1 . 2]" 1 1013 1 36 MET HB2 1 36 MET ME . . 3.000 2.360 2.170 2.942 . 0 0 "[ . 1 . 2]" 1 1014 1 36 MET HB2 1 39 TYR QD . . 5.500 4.330 3.859 4.606 . 0 0 "[ . 1 . 2]" 1 1015 1 36 MET HB3 1 37 TYR H . . 4.750 4.063 2.842 4.273 . 0 0 "[ . 1 . 2]" 1 1016 1 36 MET ME 1 37 TYR H . . 5.100 4.974 4.559 5.213 0.113 17 0 "[ . 1 . 2]" 1 1017 1 36 MET HG2 1 37 TYR H . . 4.560 2.880 2.485 3.667 . 0 0 "[ . 1 . 2]" 1 1018 1 36 MET HG2 1 37 TYR QD . . 4.580 3.254 2.695 3.972 . 0 0 "[ . 1 . 2]" 1 1019 1 36 MET HG3 1 37 TYR H . . 4.460 2.625 1.889 3.171 . 0 0 "[ . 1 . 2]" 1 1020 1 36 MET HG3 1 37 TYR QD . . 4.430 2.549 2.242 4.633 0.203 20 0 "[ . 1 . 2]" 1 1021 1 36 MET HG3 1 37 TYR QE . . 4.780 3.405 2.760 5.596 0.816 20 1 "[ . 1 . +]" 1 1022 1 37 TYR H 1 37 TYR QD . . 2.820 2.631 2.495 2.789 . 0 0 "[ . 1 . 2]" 1 1023 1 37 TYR H 1 37 TYR QE . . 4.570 3.562 3.392 3.753 . 0 0 "[ . 1 . 2]" 1 1024 1 37 TYR H 1 38 ARG HA . . 5.500 5.194 4.976 5.533 0.033 20 0 "[ . 1 . 2]" 1 1025 1 37 TYR H 1 38 ARG HG2 . . 5.500 4.110 3.714 5.008 . 0 0 "[ . 1 . 2]" 1 1026 1 37 TYR HA 1 37 TYR QD . . 3.510 3.571 3.429 3.616 0.106 20 0 "[ . 1 . 2]" 1 1027 1 37 TYR HA 1 38 ARG HG2 . . 5.500 5.431 5.088 6.017 0.517 10 1 "[ . + . 2]" 1 1028 1 37 TYR HA 1 39 TYR H . . 5.120 4.231 3.789 4.658 . 0 0 "[ . 1 . 2]" 1 1029 1 37 TYR QD 1 38 ARG H . . 5.120 3.114 2.845 3.454 . 0 0 "[ . 1 . 2]" 1 1030 1 37 TYR QD 1 38 ARG HA . . 4.330 3.978 3.495 4.244 . 0 0 "[ . 1 . 2]" 1 1031 1 37 TYR QD 1 38 ARG HE . . 3.950 3.268 2.289 3.999 0.049 15 0 "[ . 1 . 2]" 1 1032 1 37 TYR QD 1 38 ARG HG2 . . 4.220 2.498 2.114 2.940 . 0 0 "[ . 1 . 2]" 1 1033 1 37 TYR QD 1 38 ARG HG3 . . 4.550 3.955 2.516 4.346 . 0 0 "[ . 1 . 2]" 1 1034 1 37 TYR QE 1 38 ARG HE . . 3.120 3.163 2.987 3.218 0.098 16 0 "[ . 1 . 2]" 1 1035 1 37 TYR QE 1 38 ARG HG2 . . 4.030 3.287 2.664 4.185 0.155 10 0 "[ . 1 . 2]" 1 1036 1 37 TYR QE 1 38 ARG HG3 . . 4.340 4.139 3.076 4.417 0.077 19 0 "[ . 1 . 2]" 1 1037 1 38 ARG H 1 38 ARG HB3 . . 4.200 3.647 3.589 3.692 . 0 0 "[ . 1 . 2]" 1 1038 1 38 ARG H 1 38 ARG HD2 . . 5.180 4.771 4.283 5.139 . 0 0 "[ . 1 . 2]" 1 1039 1 38 ARG H 1 38 ARG HD3 . . 4.940 4.091 3.670 4.909 . 0 0 "[ . 1 . 2]" 1 1040 1 38 ARG H 1 38 ARG HG2 . . 3.750 2.543 2.274 3.271 . 0 0 "[ . 1 . 2]" 1 1041 1 38 ARG H 1 38 ARG HG3 . . 4.010 3.592 2.285 3.945 . 0 0 "[ . 1 . 2]" 1 1042 1 38 ARG H 1 39 TYR H . . 3.450 2.301 2.068 2.510 . 0 0 "[ . 1 . 2]" 1 1043 1 38 ARG H 1 39 TYR QD . . 5.500 4.073 3.590 4.569 . 0 0 "[ . 1 . 2]" 1 1044 1 38 ARG HA 1 38 ARG HD2 . . 4.970 3.451 2.720 4.641 . 0 0 "[ . 1 . 2]" 1 1045 1 38 ARG HA 1 38 ARG HD3 . . 4.970 2.575 2.145 4.176 . 0 0 "[ . 1 . 2]" 1 1046 1 38 ARG HA 1 38 ARG HE . . 5.500 4.720 3.572 5.586 0.086 15 0 "[ . 1 . 2]" 1 1047 1 38 ARG HA 1 38 ARG HG2 . . 3.540 3.105 2.376 3.352 . 0 0 "[ . 1 . 2]" 1 1048 1 38 ARG HA 1 38 ARG HG3 . . 4.070 3.838 3.307 3.981 . 0 0 "[ . 1 . 2]" 1 1049 1 38 ARG HB2 1 39 TYR H . . 4.490 2.757 2.332 3.152 . 0 0 "[ . 1 . 2]" 1 1050 1 38 ARG HB2 1 39 TYR HA . . 5.170 4.221 3.967 4.514 . 0 0 "[ . 1 . 2]" 1 1051 1 38 ARG HB3 1 38 ARG HE . . 5.090 4.517 4.402 4.803 . 0 0 "[ . 1 . 2]" 1 1052 1 38 ARG HB3 1 39 TYR H . . 4.390 3.839 3.509 4.129 . 0 0 "[ . 1 . 2]" 1 1053 1 38 ARG HG2 1 39 TYR H . . 4.560 4.359 4.056 4.991 0.431 10 0 "[ . 1 . 2]" 1 1054 1 38 ARG HG3 1 39 TYR H . . 5.500 4.860 4.128 5.360 . 0 0 "[ . 1 . 2]" 1 1055 1 39 TYR H 1 39 TYR HB3 . . 3.600 3.545 3.487 3.599 . 0 0 "[ . 1 . 2]" 1 1056 1 39 TYR H 1 39 TYR QD . . 4.390 2.878 2.530 3.194 . 0 0 "[ . 1 . 2]" 1 1057 1 39 TYR H 1 40 PRO HD2 . . 5.500 4.841 4.753 4.920 . 0 0 "[ . 1 . 2]" 1 1058 1 39 TYR HA 1 39 TYR QD . . 2.950 2.386 2.189 2.713 . 0 0 "[ . 1 . 2]" 1 1059 1 39 TYR HA 1 40 PRO HD2 . . 3.880 2.555 2.323 2.714 . 0 0 "[ . 1 . 2]" 1 1060 1 39 TYR HA 1 40 PRO HD3 . . 3.840 2.537 2.322 2.805 . 0 0 "[ . 1 . 2]" 1 1061 1 39 TYR HA 1 40 PRO HG2 . . 5.500 4.677 4.469 4.836 . 0 0 "[ . 1 . 2]" 1 1062 1 39 TYR HA 1 40 PRO HG3 . . 5.490 4.726 4.564 4.925 . 0 0 "[ . 1 . 2]" 1 1063 1 39 TYR HA 1 69 HIS HE1 . . 4.810 4.160 3.385 4.859 0.049 12 0 "[ . 1 . 2]" 1 1064 1 39 TYR HA 1 80 PHE QE . . 4.680 4.329 3.806 4.775 0.095 2 0 "[ . 1 . 2]" 1 1065 1 39 TYR HA 1 88 MET ME . . 5.290 4.980 4.644 5.371 0.081 11 0 "[ . 1 . 2]" 1 1066 1 39 TYR HA 1 88 MET HG2 . . 5.410 4.231 3.615 6.219 0.809 3 1 "[ + . 1 . 2]" 1 1067 1 39 TYR HA 1 91 VAL QG . . 5.500 4.263 4.029 4.469 . 0 0 "[ . 1 . 2]" 1 1068 1 39 TYR HB2 1 91 VAL QG . . 3.950 3.240 2.865 3.531 . 0 0 "[ . 1 . 2]" 1 1069 1 39 TYR HB3 1 40 PRO HD3 . . 5.000 3.562 3.466 3.761 . 0 0 "[ . 1 . 2]" 1 1070 1 39 TYR HB3 1 91 VAL QG . . 5.100 2.410 2.223 2.669 . 0 0 "[ . 1 . 2]" 1 1071 1 39 TYR QD 1 40 PRO HD2 . . 5.500 2.668 2.291 3.129 . 0 0 "[ . 1 . 2]" 1 1072 1 39 TYR QD 1 40 PRO HD3 . . 5.200 3.342 2.944 3.750 . 0 0 "[ . 1 . 2]" 1 1073 1 39 TYR QD 1 80 PHE QE . . 4.310 4.142 3.585 4.422 0.112 2 0 "[ . 1 . 2]" 1 1074 1 39 TYR QD 1 84 ASP HB3 . . 5.380 4.534 4.091 4.865 . 0 0 "[ . 1 . 2]" 1 1075 1 39 TYR QD 1 88 MET H . . 5.200 4.339 3.999 4.637 . 0 0 "[ . 1 . 2]" 1 1076 1 39 TYR QD 1 88 MET HA . . 5.150 3.936 3.434 4.139 . 0 0 "[ . 1 . 2]" 1 1077 1 39 TYR QD 1 88 MET ME . . 4.500 3.904 3.395 4.230 . 0 0 "[ . 1 . 2]" 1 1078 1 39 TYR QD 1 88 MET HG2 . . 5.500 2.777 2.182 4.631 . 0 0 "[ . 1 . 2]" 1 1079 1 39 TYR QD 1 88 MET HG3 . . 5.430 2.334 2.094 2.988 . 0 0 "[ . 1 . 2]" 1 1080 1 39 TYR QD 1 91 VAL HB . . 5.500 5.371 4.911 5.592 0.092 5 0 "[ . 1 . 2]" 1 1081 1 39 TYR QD 1 91 VAL QG . . 4.070 3.254 3.033 3.491 . 0 0 "[ . 1 . 2]" 1 1082 1 39 TYR QD 1 92 VAL QG . . 5.370 5.332 5.099 5.409 0.039 7 0 "[ . 1 . 2]" 1 1083 1 39 TYR QE 1 80 PHE QE . . 5.240 4.304 3.670 5.079 . 0 0 "[ . 1 . 2]" 1 1084 1 39 TYR QE 1 84 ASP HA . . 3.980 2.810 2.435 3.360 . 0 0 "[ . 1 . 2]" 1 1085 1 39 TYR QE 1 84 ASP HB2 . . 5.500 4.347 3.933 5.025 . 0 0 "[ . 1 . 2]" 1 1086 1 39 TYR QE 1 84 ASP HB3 . . 3.470 2.786 2.254 3.516 0.046 13 0 "[ . 1 . 2]" 1 1087 1 39 TYR QE 1 85 VAL MG2 . . 5.500 5.561 5.371 5.625 0.125 13 0 "[ . 1 . 2]" 1 1088 1 39 TYR QE 1 87 MET H . . 4.510 4.545 4.288 4.608 0.098 11 0 "[ . 1 . 2]" 1 1089 1 39 TYR QE 1 87 MET HB2 . . 5.180 2.686 2.351 3.034 . 0 0 "[ . 1 . 2]" 1 1090 1 39 TYR QE 1 87 MET HB3 . . 3.910 3.631 3.316 3.851 . 0 0 "[ . 1 . 2]" 1 1091 1 39 TYR QE 1 87 MET QG . . 5.500 3.391 3.132 3.549 . 0 0 "[ . 1 . 2]" 1 1092 1 39 TYR QE 1 88 MET HA . . 5.500 4.787 4.486 5.132 . 0 0 "[ . 1 . 2]" 1 1093 1 39 TYR QE 1 88 MET ME . . 4.660 4.040 3.247 4.738 0.078 10 0 "[ . 1 . 2]" 1 1094 1 39 TYR QE 1 91 VAL QG . . 5.280 4.271 3.766 4.684 . 0 0 "[ . 1 . 2]" 1 1095 1 40 PRO HA 1 41 ASN H . . 3.020 2.324 2.226 2.504 . 0 0 "[ . 1 . 2]" 1 1096 1 40 PRO HA 1 41 ASN HA . . 5.130 4.492 4.429 4.577 . 0 0 "[ . 1 . 2]" 1 1097 1 40 PRO HA 1 42 GLN H . . 3.880 3.800 3.408 3.951 0.071 8 0 "[ . 1 . 2]" 1 1098 1 40 PRO HA 1 69 HIS HE1 . . 4.290 3.303 2.523 4.347 0.057 12 0 "[ . 1 . 2]" 1 1099 1 40 PRO HB2 1 41 ASN H . . 4.320 2.942 2.427 3.359 . 0 0 "[ . 1 . 2]" 1 1100 1 40 PRO HB2 1 42 GLN H . . 3.910 2.655 2.253 3.263 . 0 0 "[ . 1 . 2]" 1 1101 1 40 PRO HB2 1 65 THR MG . . 4.110 3.505 3.019 4.081 . 0 0 "[ . 1 . 2]" 1 1102 1 40 PRO HB2 1 91 VAL QG . . 5.500 4.264 3.611 5.014 . 0 0 "[ . 1 . 2]" 1 1103 1 40 PRO HB2 1 92 VAL QG . . 4.560 3.706 3.048 4.318 . 0 0 "[ . 1 . 2]" 1 1104 1 40 PRO HB2 1 95 MET ME . . 3.200 3.049 2.317 3.311 0.111 12 0 "[ . 1 . 2]" 1 1105 1 40 PRO HB3 1 41 ASN H . . 3.970 3.561 3.298 3.972 0.002 13 0 "[ . 1 . 2]" 1 1106 1 40 PRO HB3 1 42 GLN H . . 4.460 3.891 3.603 4.305 . 0 0 "[ . 1 . 2]" 1 1107 1 40 PRO HB3 1 65 THR MG . . 4.930 3.896 3.296 4.538 . 0 0 "[ . 1 . 2]" 1 1108 1 40 PRO HB3 1 69 HIS HD2 . . 4.960 4.544 3.980 5.019 0.059 7 0 "[ . 1 . 2]" 1 1109 1 40 PRO HB3 1 69 HIS HE1 . . 4.680 3.249 2.703 4.025 . 0 0 "[ . 1 . 2]" 1 1110 1 40 PRO HB3 1 92 VAL QG . . 5.000 4.438 3.824 4.889 . 0 0 "[ . 1 . 2]" 1 1111 1 40 PRO HD2 1 69 HIS HE1 . . 5.260 4.710 4.504 5.151 . 0 0 "[ . 1 . 2]" 1 1112 1 40 PRO HD2 1 88 MET HG2 . . 5.340 2.656 2.250 4.046 . 0 0 "[ . 1 . 2]" 1 1113 1 40 PRO HD2 1 91 VAL QG . . 5.500 2.713 2.314 3.080 . 0 0 "[ . 1 . 2]" 1 1114 1 40 PRO HD2 1 92 VAL QG . . 4.470 4.007 3.576 4.485 0.015 12 0 "[ . 1 . 2]" 1 1115 1 40 PRO HD2 1 95 MET ME . . 5.500 4.310 3.841 4.736 . 0 0 "[ . 1 . 2]" 1 1116 1 40 PRO HD3 1 88 MET HG2 . . 5.500 3.258 2.355 4.851 . 0 0 "[ . 1 . 2]" 1 1117 1 40 PRO HD3 1 92 VAL QG . . 5.030 4.629 4.020 5.015 . 0 0 "[ . 1 . 2]" 1 1118 1 40 PRO HG2 1 41 ASN H . . 5.500 4.712 4.288 5.003 . 0 0 "[ . 1 . 2]" 1 1119 1 40 PRO HG2 1 42 GLN H . . 5.500 4.732 4.252 5.376 . 0 0 "[ . 1 . 2]" 1 1120 1 40 PRO HG2 1 91 VAL QG . . 4.260 2.539 2.147 3.230 . 0 0 "[ . 1 . 2]" 1 1121 1 40 PRO HG2 1 92 VAL QG . . 4.270 2.700 2.268 3.343 . 0 0 "[ . 1 . 2]" 1 1122 1 40 PRO HG3 1 69 HIS QB . . 5.100 3.814 3.224 4.292 . 0 0 "[ . 1 . 2]" 1 1123 1 40 PRO HG3 1 69 HIS HD2 . . 4.230 3.853 3.482 4.281 0.051 13 0 "[ . 1 . 2]" 1 1124 1 40 PRO HG3 1 69 HIS HE1 . . 5.080 4.454 3.661 5.127 0.047 10 0 "[ . 1 . 2]" 1 1125 1 40 PRO HG3 1 91 VAL QG . . 4.310 3.685 3.270 4.312 0.002 3 0 "[ . 1 . 2]" 1 1126 1 40 PRO HG3 1 92 VAL QG . . 4.880 3.032 2.330 3.527 . 0 0 "[ . 1 . 2]" 1 1127 1 41 ASN H 1 41 ASN QD . . 5.500 3.732 2.249 4.434 . 0 0 "[ . 1 . 2]" 1 1128 1 41 ASN H 1 42 GLN H . . 3.120 2.050 1.667 2.233 . 0 0 "[ . 1 . 2]" 1 1129 1 41 ASN H 1 42 GLN HA . . 4.740 4.688 4.305 4.808 0.068 16 0 "[ . 1 . 2]" 1 1130 1 41 ASN H 1 42 GLN HB3 . . 5.500 5.351 5.047 5.691 0.191 1 0 "[ . 1 . 2]" 1 1131 1 41 ASN H 1 42 GLN QG . . 5.500 3.991 3.841 4.389 . 0 0 "[ . 1 . 2]" 1 1132 1 41 ASN H 1 43 VAL QG . . 5.500 5.275 4.733 5.399 . 0 0 "[ . 1 . 2]" 1 1133 1 41 ASN H 1 95 MET ME . . 4.610 4.112 3.356 4.618 0.008 2 0 "[ . 1 . 2]" 1 1134 1 41 ASN HA 1 91 VAL QG . . 5.500 4.833 4.132 5.272 . 0 0 "[ . 1 . 2]" 1 1135 1 41 ASN HA 1 95 MET ME . . 3.520 3.074 2.312 3.573 0.053 2 0 "[ . 1 . 2]" 1 1136 1 41 ASN QB 1 42 GLN H . . 5.400 3.952 3.794 4.091 . 0 0 "[ . 1 . 2]" 1 1137 1 41 ASN QB 1 95 MET ME . . 5.500 4.484 3.733 4.975 . 0 0 "[ . 1 . 2]" 1 1138 1 42 GLN H 1 42 GLN HB3 . . 3.680 3.701 3.473 3.819 0.139 5 0 "[ . 1 . 2]" 1 1139 1 42 GLN H 1 42 GLN QG . . 4.560 3.286 3.056 3.664 . 0 0 "[ . 1 . 2]" 1 1140 1 42 GLN H 1 43 VAL H . . 4.910 4.404 4.233 4.489 . 0 0 "[ . 1 . 2]" 1 1141 1 42 GLN H 1 43 VAL QG . . 4.980 3.928 3.548 4.772 . 0 0 "[ . 1 . 2]" 1 1142 1 42 GLN H 1 95 MET ME . . 3.660 3.551 2.929 3.743 0.083 2 0 "[ . 1 . 2]" 1 1143 1 42 GLN HA 1 42 GLN HE21 . . 5.390 4.606 4.090 5.092 . 0 0 "[ . 1 . 2]" 1 1144 1 42 GLN HA 1 43 VAL H . . 3.160 2.372 2.204 2.621 . 0 0 "[ . 1 . 2]" 1 1145 1 42 GLN HA 1 43 VAL QG . . 4.430 3.229 2.899 3.997 . 0 0 "[ . 1 . 2]" 1 1146 1 42 GLN HB2 1 42 GLN HE21 . . 4.520 4.200 3.754 4.583 0.063 13 0 "[ . 1 . 2]" 1 1147 1 42 GLN HB2 1 42 GLN HE22 . . 5.080 4.569 4.300 5.067 . 0 0 "[ . 1 . 2]" 1 1148 1 42 GLN HB2 1 43 VAL H . . 4.220 3.943 3.498 4.270 0.050 4 0 "[ . 1 . 2]" 1 1149 1 42 GLN HB3 1 42 GLN HE21 . . 4.490 3.399 2.741 4.255 . 0 0 "[ . 1 . 2]" 1 1150 1 42 GLN HB3 1 42 GLN HE22 . . 5.290 4.176 3.749 4.505 . 0 0 "[ . 1 . 2]" 1 1151 1 42 GLN HB3 1 43 VAL H . . 4.280 2.709 2.191 3.252 . 0 0 "[ . 1 . 2]" 1 1152 1 42 GLN HB3 1 43 VAL QG . . 5.500 4.265 3.985 4.634 . 0 0 "[ . 1 . 2]" 1 1153 1 42 GLN QG 1 43 VAL H . . 5.500 3.789 3.322 4.114 . 0 0 "[ . 1 . 2]" 1 1154 1 43 VAL H 1 43 VAL QG . . 3.340 2.340 2.160 2.814 . 0 0 "[ . 1 . 2]" 1 1155 1 43 VAL H 1 44 TYR QD . . 5.500 5.234 4.607 5.575 0.075 16 0 "[ . 1 . 2]" 1 1156 1 43 VAL HA 1 44 TYR H . . 3.450 2.312 2.138 2.467 . 0 0 "[ . 1 . 2]" 1 1157 1 43 VAL HA 1 44 TYR QD . . 4.290 3.240 2.517 3.711 . 0 0 "[ . 1 . 2]" 1 1158 1 43 VAL HA 1 65 THR MG . . 3.420 2.426 2.198 2.796 . 0 0 "[ . 1 . 2]" 1 1159 1 43 VAL HA 1 92 VAL QG . . 5.500 3.573 3.149 4.295 . 0 0 "[ . 1 . 2]" 1 1160 1 43 VAL HB 1 44 TYR H . . 3.740 2.962 2.417 3.846 0.106 10 0 "[ . 1 . 2]" 1 1161 1 43 VAL HB 1 65 THR HB . . 5.350 4.700 4.186 5.442 0.092 9 0 "[ . 1 . 2]" 1 1162 1 43 VAL HB 1 65 THR HG1 . . 4.490 3.508 2.876 4.574 0.084 20 0 "[ . 1 . 2]" 1 1163 1 43 VAL HB 1 65 THR MG . . 4.150 3.551 3.077 3.911 . 0 0 "[ . 1 . 2]" 1 1164 1 43 VAL HB 1 92 VAL QG . . 5.350 3.039 2.524 4.337 . 0 0 "[ . 1 . 2]" 1 1165 1 43 VAL QG 1 44 TYR H . . 4.140 3.228 2.345 3.544 . 0 0 "[ . 1 . 2]" 1 1166 1 43 VAL QG 1 44 TYR HA . . 5.500 4.025 3.629 4.400 . 0 0 "[ . 1 . 2]" 1 1167 1 43 VAL QG 1 45 TYR QD . . 3.330 2.780 2.179 3.410 0.080 4 0 "[ . 1 . 2]" 1 1168 1 43 VAL QG 1 45 TYR QE . . 4.190 3.670 2.720 4.231 0.041 16 0 "[ . 1 . 2]" 1 1169 1 43 VAL QG 1 65 THR HG1 . . 5.080 3.504 2.021 4.036 . 0 0 "[ . 1 . 2]" 1 1170 1 43 VAL QG 1 65 THR MG . . 3.710 2.304 2.011 2.700 . 0 0 "[ . 1 . 2]" 1 1171 1 43 VAL QG 1 92 VAL H . . 5.500 4.589 4.402 5.089 . 0 0 "[ . 1 . 2]" 1 1172 1 43 VAL QG 1 92 VAL HA . . 4.470 2.384 2.145 3.020 . 0 0 "[ . 1 . 2]" 1 1173 1 43 VAL QG 1 92 VAL QG . . 5.270 2.113 1.884 2.842 . 0 0 "[ . 1 . 2]" 1 1174 1 43 VAL QG 1 95 MET H . . 4.860 3.942 3.709 4.317 . 0 0 "[ . 1 . 2]" 1 1175 1 43 VAL QG 1 95 MET HA . . 5.050 3.910 3.664 4.392 . 0 0 "[ . 1 . 2]" 1 1176 1 43 VAL QG 1 95 MET HB2 . . 3.570 2.266 2.118 2.821 . 0 0 "[ . 1 . 2]" 1 1177 1 43 VAL QG 1 95 MET HB3 . . 3.810 2.275 2.081 2.894 . 0 0 "[ . 1 . 2]" 1 1178 1 43 VAL QG 1 95 MET ME . . 2.950 2.170 1.898 2.854 . 0 0 "[ . 1 . 2]" 1 1179 1 43 VAL QG 1 95 MET HG3 . . 5.350 4.014 3.720 4.838 . 0 0 "[ . 1 . 2]" 1 1180 1 43 VAL QG 1 96 CYS H . . 4.390 2.985 2.733 3.356 . 0 0 "[ . 1 . 2]" 1 1181 1 43 VAL QG 1 96 CYS HA . . 3.620 2.377 2.077 2.788 . 0 0 "[ . 1 . 2]" 1 1182 1 43 VAL QG 1 97 VAL H . . 5.500 4.681 4.451 5.035 . 0 0 "[ . 1 . 2]" 1 1183 1 43 VAL QG 1 98 THR MG . . 5.500 5.304 5.216 5.401 . 0 0 "[ . 1 . 2]" 1 1184 1 43 VAL QG 1 99 GLN H . . 4.850 4.050 3.862 4.422 . 0 0 "[ . 1 . 2]" 1 1185 1 43 VAL QG 1 99 GLN HA . . 5.310 4.889 4.576 5.306 . 0 0 "[ . 1 . 2]" 1 1186 1 43 VAL QG 1 99 GLN HB2 . . 4.280 2.900 2.577 3.333 . 0 0 "[ . 1 . 2]" 1 1187 1 43 VAL QG 1 99 GLN HB3 . . 4.520 3.174 2.776 3.685 . 0 0 "[ . 1 . 2]" 1 1188 1 44 TYR H 1 44 TYR HB2 . . 3.460 2.472 2.299 2.700 . 0 0 "[ . 1 . 2]" 1 1189 1 44 TYR H 1 44 TYR QD . . 3.670 2.428 2.273 2.601 . 0 0 "[ . 1 . 2]" 1 1190 1 44 TYR H 1 44 TYR QE . . 4.420 4.504 4.468 4.523 0.103 20 0 "[ . 1 . 2]" 1 1191 1 44 TYR H 1 45 TYR QD . . 4.670 4.483 4.153 4.740 0.070 16 0 "[ . 1 . 2]" 1 1192 1 44 TYR H 1 64 ILE MG . . 4.540 3.993 3.724 4.223 . 0 0 "[ . 1 . 2]" 1 1193 1 44 TYR H 1 65 THR HA . . 4.790 3.801 3.555 4.153 . 0 0 "[ . 1 . 2]" 1 1194 1 44 TYR H 1 65 THR HB . . 4.770 4.093 3.920 4.328 . 0 0 "[ . 1 . 2]" 1 1195 1 44 TYR H 1 65 THR HG1 . . 3.880 2.454 2.154 2.684 . 0 0 "[ . 1 . 2]" 1 1196 1 44 TYR H 1 65 THR MG . . 3.740 3.334 3.109 3.705 . 0 0 "[ . 1 . 2]" 1 1197 1 44 TYR H 1 92 VAL QG . . 5.500 4.063 3.827 4.808 . 0 0 "[ . 1 . 2]" 1 1198 1 44 TYR HA 1 44 TYR QD . . 4.080 3.075 2.866 3.217 . 0 0 "[ . 1 . 2]" 1 1199 1 44 TYR HA 1 45 TYR H . . 3.290 2.290 2.175 2.386 . 0 0 "[ . 1 . 2]" 1 1200 1 44 TYR HA 1 45 TYR HA . . 4.830 4.557 4.497 4.651 . 0 0 "[ . 1 . 2]" 1 1201 1 44 TYR HA 1 45 TYR QD . . 3.980 3.176 2.921 3.590 . 0 0 "[ . 1 . 2]" 1 1202 1 44 TYR HA 1 45 TYR QE . . 4.750 4.307 3.927 4.795 0.045 3 0 "[ . 1 . 2]" 1 1203 1 44 TYR HA 1 64 ILE MG . . 5.170 4.328 4.172 4.426 . 0 0 "[ . 1 . 2]" 1 1204 1 44 TYR HB2 1 45 TYR H . . 5.500 3.984 3.807 4.259 . 0 0 "[ . 1 . 2]" 1 1205 1 44 TYR HB2 1 64 ILE HB . . 5.230 2.950 2.565 3.348 . 0 0 "[ . 1 . 2]" 1 1206 1 44 TYR HB2 1 64 ILE QG . . 5.360 4.253 3.727 4.633 . 0 0 "[ . 1 . 2]" 1 1207 1 44 TYR HB2 1 64 ILE MG . . 3.570 2.018 1.949 2.125 . 0 0 "[ . 1 . 2]" 1 1208 1 44 TYR HB2 1 65 THR H . . 4.950 3.577 3.197 3.832 . 0 0 "[ . 1 . 2]" 1 1209 1 44 TYR HB2 1 65 THR HA . . 5.500 3.704 3.189 3.914 . 0 0 "[ . 1 . 2]" 1 1210 1 44 TYR HB2 1 65 THR HG1 . . 5.500 3.547 3.148 3.813 . 0 0 "[ . 1 . 2]" 1 1211 1 44 TYR HB3 1 45 TYR H . . 4.130 2.993 2.625 3.398 . 0 0 "[ . 1 . 2]" 1 1212 1 44 TYR HB3 1 64 ILE HB . . 5.500 3.950 3.596 4.307 . 0 0 "[ . 1 . 2]" 1 1213 1 44 TYR HB3 1 64 ILE QG . . 5.440 4.453 3.857 4.838 . 0 0 "[ . 1 . 2]" 1 1214 1 44 TYR HB3 1 64 ILE MG . . 3.640 2.398 2.162 2.544 . 0 0 "[ . 1 . 2]" 1 1215 1 44 TYR HB3 1 65 THR H . . 5.500 5.254 4.799 5.521 0.021 13 0 "[ . 1 . 2]" 1 1216 1 44 TYR HB3 1 65 THR HA . . 5.340 5.230 4.664 5.409 0.069 18 0 "[ . 1 . 2]" 1 1217 1 44 TYR QD 1 45 TYR H . . 4.690 4.189 3.686 4.586 . 0 0 "[ . 1 . 2]" 1 1218 1 44 TYR QD 1 64 ILE HA . . 5.500 5.571 5.507 5.603 0.103 3 0 "[ . 1 . 2]" 1 1219 1 44 TYR QD 1 64 ILE MG . . 4.150 2.942 2.732 3.164 . 0 0 "[ . 1 . 2]" 1 1220 1 44 TYR QD 1 65 THR H . . 4.830 3.775 3.518 4.097 . 0 0 "[ . 1 . 2]" 1 1221 1 44 TYR QD 1 65 THR HA . . 3.180 2.133 1.952 2.323 . 0 0 "[ . 1 . 2]" 1 1222 1 44 TYR QD 1 65 THR MG . . 4.100 2.806 2.359 3.143 . 0 0 "[ . 1 . 2]" 1 1223 1 44 TYR QD 1 68 GLN H . . 5.500 4.938 4.726 5.153 . 0 0 "[ . 1 . 2]" 1 1224 1 44 TYR QD 1 68 GLN QB . . 5.080 3.378 2.924 3.769 . 0 0 "[ . 1 . 2]" 1 1225 1 44 TYR QD 1 68 GLN HG2 . . 5.500 4.523 3.500 5.041 . 0 0 "[ . 1 . 2]" 1 1226 1 44 TYR QD 1 68 GLN HG3 . . 5.290 3.931 3.411 4.404 . 0 0 "[ . 1 . 2]" 1 1227 1 44 TYR QE 1 64 ILE MG . . 4.550 4.244 3.857 4.609 0.059 15 0 "[ . 1 . 2]" 1 1228 1 44 TYR QE 1 65 THR HA . . 3.760 3.127 2.762 3.593 . 0 0 "[ . 1 . 2]" 1 1229 1 44 TYR QE 1 65 THR MG . . 3.490 3.163 2.646 3.582 0.092 17 0 "[ . 1 . 2]" 1 1230 1 44 TYR QE 1 68 GLN H . . 5.030 4.839 4.550 5.094 0.064 17 0 "[ . 1 . 2]" 1 1231 1 44 TYR QE 1 68 GLN QB . . 3.950 2.688 2.257 3.054 . 0 0 "[ . 1 . 2]" 1 1232 1 45 TYR H 1 45 TYR QD . . 3.480 2.924 2.561 3.142 . 0 0 "[ . 1 . 2]" 1 1233 1 45 TYR H 1 46 ARG H . . 5.430 4.397 4.354 4.448 . 0 0 "[ . 1 . 2]" 1 1234 1 45 TYR H 1 64 ILE MG . . 5.500 4.554 4.225 4.881 . 0 0 "[ . 1 . 2]" 1 1235 1 45 TYR HA 1 45 TYR QD . . 3.880 3.780 3.729 3.828 . 0 0 "[ . 1 . 2]" 1 1236 1 45 TYR HA 1 46 ARG H . . 3.400 2.471 2.343 2.588 . 0 0 "[ . 1 . 2]" 1 1237 1 45 TYR QB 1 46 ARG H . . 4.380 2.393 2.110 2.624 . 0 0 "[ . 1 . 2]" 1 1238 1 45 TYR QB 1 57 PHE QD . . 5.500 3.342 2.959 3.995 . 0 0 "[ . 1 . 2]" 1 1239 1 45 TYR QB 1 57 PHE QE . . 4.320 2.774 2.486 3.294 . 0 0 "[ . 1 . 2]" 1 1240 1 45 TYR QB 1 57 PHE HZ . . 3.880 3.047 2.696 3.889 0.009 11 0 "[ . 1 . 2]" 1 1241 1 45 TYR HB2 1 46 ARG H . . 3.850 2.422 2.127 2.664 . 0 0 "[ . 1 . 2]" 1 1242 1 45 TYR QD 1 46 ARG H . . 3.920 3.449 3.020 3.844 . 0 0 "[ . 1 . 2]" 1 1243 1 45 TYR QD 1 46 ARG HA . . 4.820 3.968 3.676 4.285 . 0 0 "[ . 1 . 2]" 1 1244 1 45 TYR QD 1 46 ARG HB3 . . 5.500 5.353 5.139 5.560 0.060 12 0 "[ . 1 . 2]" 1 1245 1 45 TYR QD 1 47 PRO HA . . 4.290 3.330 2.670 3.660 . 0 0 "[ . 1 . 2]" 1 1246 1 45 TYR QD 1 47 PRO HB3 . . 5.460 5.045 4.403 5.464 0.004 16 0 "[ . 1 . 2]" 1 1247 1 45 TYR QD 1 47 PRO HD3 . . 4.800 4.808 4.479 4.899 0.099 3 0 "[ . 1 . 2]" 1 1248 1 45 TYR QD 1 48 VAL H . . 5.220 4.501 3.638 5.027 . 0 0 "[ . 1 . 2]" 1 1249 1 45 TYR QD 1 48 VAL QG . . 5.500 4.317 3.922 4.761 . 0 0 "[ . 1 . 2]" 1 1250 1 45 TYR QD 1 57 PHE QE . . 3.380 2.784 2.504 3.270 . 0 0 "[ . 1 . 2]" 1 1251 1 45 TYR QD 1 57 PHE HZ . . 3.660 3.157 2.862 3.722 0.062 11 0 "[ . 1 . 2]" 1 1252 1 45 TYR QD 1 99 GLN HG2 . . 4.310 2.928 2.424 3.685 . 0 0 "[ . 1 . 2]" 1 1253 1 45 TYR QE 1 47 PRO HA . . 4.120 3.671 2.994 4.144 0.024 3 0 "[ . 1 . 2]" 1 1254 1 45 TYR QE 1 47 PRO HB3 . . 4.890 4.697 3.873 4.985 0.095 2 0 "[ . 1 . 2]" 1 1255 1 45 TYR QE 1 48 VAL H . . 5.430 5.013 4.151 5.496 0.066 12 0 "[ . 1 . 2]" 1 1256 1 45 TYR QE 1 57 PHE QE . . 4.810 4.025 3.650 4.518 . 0 0 "[ . 1 . 2]" 1 1257 1 45 TYR QE 1 99 GLN HE21 . . 5.500 3.467 2.491 4.307 . 0 0 "[ . 1 . 2]" 1 1258 1 45 TYR QE 1 99 GLN HE22 . . 4.860 4.192 3.266 4.929 0.069 5 0 "[ . 1 . 2]" 1 1259 1 45 TYR QE 1 103 GLU HG2 . . 4.190 4.012 3.375 4.304 0.114 11 0 "[ . 1 . 2]" 1 1260 1 45 TYR QE 1 103 GLU HG3 . . 5.500 2.804 2.381 4.706 . 0 0 "[ . 1 . 2]" 1 1261 1 46 ARG H 1 46 ARG HB2 . . 3.940 2.390 2.294 2.748 . 0 0 "[ . 1 . 2]" 1 1262 1 46 ARG H 1 46 ARG HB3 . . 4.090 3.550 3.184 3.798 . 0 0 "[ . 1 . 2]" 1 1263 1 46 ARG H 1 46 ARG QD . . 5.470 4.201 3.906 4.630 . 0 0 "[ . 1 . 2]" 1 1264 1 46 ARG H 1 46 ARG HG2 . . 4.710 3.507 2.836 4.676 . 0 0 "[ . 1 . 2]" 1 1265 1 46 ARG H 1 46 ARG HG3 . . 4.690 3.880 3.093 4.168 . 0 0 "[ . 1 . 2]" 1 1266 1 46 ARG H 1 47 PRO HD2 . . 5.500 4.911 4.784 5.084 . 0 0 "[ . 1 . 2]" 1 1267 1 46 ARG H 1 47 PRO HD3 . . 5.500 5.068 4.831 5.306 . 0 0 "[ . 1 . 2]" 1 1268 1 46 ARG H 1 57 PHE QE . . 5.500 4.299 3.850 4.694 . 0 0 "[ . 1 . 2]" 1 1269 1 46 ARG HA 1 46 ARG QD . . 4.740 2.890 2.088 3.948 . 0 0 "[ . 1 . 2]" 1 1270 1 46 ARG HA 1 46 ARG HG2 . . 4.240 2.713 2.211 3.072 . 0 0 "[ . 1 . 2]" 1 1271 1 46 ARG HA 1 46 ARG HG3 . . 4.040 3.249 2.289 3.738 . 0 0 "[ . 1 . 2]" 1 1272 1 46 ARG HA 1 47 PRO HD2 . . 3.480 2.744 2.406 3.289 . 0 0 "[ . 1 . 2]" 1 1273 1 46 ARG HA 1 47 PRO HD3 . . 3.400 2.433 2.184 2.830 . 0 0 "[ . 1 . 2]" 1 1274 1 46 ARG HA 1 47 PRO HG2 . . 4.990 4.784 4.533 5.064 0.074 3 0 "[ . 1 . 2]" 1 1275 1 46 ARG HB2 1 46 ARG HE . . 5.410 4.886 4.490 5.290 . 0 0 "[ . 1 . 2]" 1 1276 1 46 ARG HB2 1 47 PRO HD2 . . 4.470 3.763 3.394 4.142 . 0 0 "[ . 1 . 2]" 1 1277 1 46 ARG HB2 1 47 PRO HD3 . . 4.780 4.648 3.977 4.875 0.095 1 0 "[ . 1 . 2]" 1 1278 1 46 ARG HB3 1 46 ARG HE . . 4.940 4.605 4.071 4.815 . 0 0 "[ . 1 . 2]" 1 1279 1 46 ARG HB3 1 47 PRO HD2 . . 4.310 2.226 2.020 2.609 . 0 0 "[ . 1 . 2]" 1 1280 1 46 ARG HB3 1 47 PRO HD3 . . 4.660 3.453 2.674 3.727 . 0 0 "[ . 1 . 2]" 1 1281 1 46 ARG QD 1 47 PRO HD2 . . 5.500 2.904 2.057 4.184 . 0 0 "[ . 1 . 2]" 1 1282 1 46 ARG QD 1 47 PRO HD3 . . 5.500 3.677 2.497 5.188 . 0 0 "[ . 1 . 2]" 1 1283 1 46 ARG QD 1 64 ILE MD . . 5.500 5.180 4.818 5.405 . 0 0 "[ . 1 . 2]" 1 1284 1 46 ARG HE 1 64 ILE MD . . 5.270 5.336 4.749 5.395 0.125 10 0 "[ . 1 . 2]" 1 1285 1 46 ARG HG2 1 47 PRO HD2 . . 5.230 3.768 2.097 4.973 . 0 0 "[ . 1 . 2]" 1 1286 1 46 ARG HG2 1 47 PRO HD3 . . 5.390 4.284 2.213 5.374 . 0 0 "[ . 1 . 2]" 1 1287 1 46 ARG HG3 1 47 PRO HD2 . . 5.250 4.138 3.532 5.200 . 0 0 "[ . 1 . 2]" 1 1288 1 46 ARG HG3 1 47 PRO HD3 . . 5.240 4.902 3.398 5.334 0.094 17 0 "[ . 1 . 2]" 1 1289 1 47 PRO HA 1 48 VAL H . . 3.050 2.209 2.049 2.475 . 0 0 "[ . 1 . 2]" 1 1290 1 47 PRO HA 1 48 VAL HA . . 4.700 4.426 4.290 4.509 . 0 0 "[ . 1 . 2]" 1 1291 1 47 PRO HA 1 48 VAL QG . . 4.460 3.396 3.149 3.657 . 0 0 "[ . 1 . 2]" 1 1292 1 47 PRO HA 1 57 PHE QE . . 5.090 3.584 3.266 4.081 . 0 0 "[ . 1 . 2]" 1 1293 1 47 PRO HB3 1 48 VAL H . . 4.530 3.941 3.455 4.234 . 0 0 "[ . 1 . 2]" 1 1294 1 48 VAL H 1 48 VAL HB . . 3.340 2.762 2.363 3.427 0.087 15 0 "[ . 1 . 2]" 1 1295 1 48 VAL H 1 48 VAL QG . . 3.330 1.922 1.688 2.328 . 0 0 "[ . 1 . 2]" 1 1296 1 48 VAL H 1 57 PHE QD . . 4.670 4.062 3.367 4.729 0.059 18 0 "[ . 1 . 2]" 1 1297 1 48 VAL H 1 57 PHE QE . . 4.690 3.157 2.444 3.942 . 0 0 "[ . 1 . 2]" 1 1298 1 48 VAL HA 1 48 VAL QG . . 3.330 2.366 2.160 2.612 . 0 0 "[ . 1 . 2]" 1 1299 1 48 VAL HA 1 49 ASP H . . 3.060 2.299 2.181 2.467 . 0 0 "[ . 1 . 2]" 1 1300 1 48 VAL HA 1 49 ASP HB3 . . 5.500 5.241 4.423 5.807 0.307 19 0 "[ . 1 . 2]" 1 1301 1 48 VAL HA 1 52 SER H . . 5.310 4.911 4.492 5.369 0.059 15 0 "[ . 1 . 2]" 1 1302 1 48 VAL HA 1 57 PHE QD . . 5.500 3.368 2.910 3.744 . 0 0 "[ . 1 . 2]" 1 1303 1 48 VAL HB 1 49 ASP H . . 4.070 3.789 2.628 4.026 . 0 0 "[ . 1 . 2]" 1 1304 1 48 VAL HB 1 52 SER QB . . 5.040 3.900 2.849 4.569 . 0 0 "[ . 1 . 2]" 1 1305 1 48 VAL HB 1 104 SER HA . . 4.670 3.590 2.459 4.246 . 0 0 "[ . 1 . 2]" 1 1306 1 48 VAL HB 1 107 TYR HB2 . . 5.430 4.006 2.199 5.494 0.064 2 0 "[ . 1 . 2]" 1 1307 1 48 VAL HB 1 107 TYR HB3 . . 5.500 3.787 2.107 5.076 . 0 0 "[ . 1 . 2]" 1 1308 1 48 VAL HB 1 107 TYR QD . . 4.360 3.937 2.863 4.470 0.110 19 0 "[ . 1 . 2]" 1 1309 1 48 VAL QG 1 49 ASP H . . 3.540 2.360 2.013 2.556 . 0 0 "[ . 1 . 2]" 1 1310 1 48 VAL QG 1 49 ASP HA . . 4.680 3.425 2.993 3.843 . 0 0 "[ . 1 . 2]" 1 1311 1 48 VAL QG 1 50 GLN HA . . 5.500 4.698 4.338 5.092 . 0 0 "[ . 1 . 2]" 1 1312 1 48 VAL QG 1 52 SER H . . 5.070 4.052 3.731 4.611 . 0 0 "[ . 1 . 2]" 1 1313 1 48 VAL QG 1 52 SER QB . . 3.650 2.346 1.962 3.327 . 0 0 "[ . 1 . 2]" 1 1314 1 48 VAL QG 1 53 ASN H . . 5.500 4.138 3.709 4.984 . 0 0 "[ . 1 . 2]" 1 1315 1 48 VAL QG 1 57 PHE QD . . 4.460 2.766 2.166 3.323 . 0 0 "[ . 1 . 2]" 1 1316 1 48 VAL QG 1 57 PHE QE . . 3.650 2.328 2.085 2.623 . 0 0 "[ . 1 . 2]" 1 1317 1 48 VAL QG 1 57 PHE HZ . . 4.680 3.896 3.657 4.255 . 0 0 "[ . 1 . 2]" 1 1318 1 48 VAL QG 1 100 TYR QD . . 4.060 2.857 2.252 3.654 . 0 0 "[ . 1 . 2]" 1 1319 1 48 VAL QG 1 100 TYR QE . . 3.570 2.241 1.979 2.579 . 0 0 "[ . 1 . 2]" 1 1320 1 48 VAL QG 1 103 GLU HA . . 4.060 3.965 3.855 4.079 0.019 7 0 "[ . 1 . 2]" 1 1321 1 48 VAL QG 1 103 GLU HB2 . . 3.840 2.838 2.455 3.218 . 0 0 "[ . 1 . 2]" 1 1322 1 48 VAL QG 1 103 GLU HB3 . . 4.000 2.343 1.967 2.513 . 0 0 "[ . 1 . 2]" 1 1323 1 48 VAL QG 1 103 GLU HG3 . . 5.500 4.108 3.689 4.708 . 0 0 "[ . 1 . 2]" 1 1324 1 48 VAL QG 1 104 SER H . . 5.050 3.006 2.680 3.335 . 0 0 "[ . 1 . 2]" 1 1325 1 48 VAL QG 1 104 SER HA . . 3.770 1.991 1.879 2.178 . 0 0 "[ . 1 . 2]" 1 1326 1 48 VAL QG 1 104 SER QB . . 4.920 2.994 2.420 3.465 . 0 0 "[ . 1 . 2]" 1 1327 1 48 VAL QG 1 105 GLN H . . 5.500 4.511 4.313 4.695 . 0 0 "[ . 1 . 2]" 1 1328 1 48 VAL QG 1 106 ALA MB . . 5.500 4.228 3.762 4.554 . 0 0 "[ . 1 . 2]" 1 1329 1 48 VAL QG 1 107 TYR H . . 5.210 3.644 3.207 4.115 . 0 0 "[ . 1 . 2]" 1 1330 1 48 VAL QG 1 107 TYR HA . . 5.500 4.298 3.696 4.855 . 0 0 "[ . 1 . 2]" 1 1331 1 48 VAL QG 1 107 TYR HB2 . . 4.200 2.726 2.177 3.370 . 0 0 "[ . 1 . 2]" 1 1332 1 48 VAL QG 1 107 TYR HB3 . . 4.230 2.398 1.993 3.053 . 0 0 "[ . 1 . 2]" 1 1333 1 48 VAL QG 1 107 TYR QD . . 3.490 2.213 2.024 2.531 . 0 0 "[ . 1 . 2]" 1 1334 1 48 VAL QG 1 107 TYR QE . . 3.940 2.973 2.596 3.371 . 0 0 "[ . 1 . 2]" 1 1335 1 48 VAL QG 1 108 TYR H . . 5.500 4.236 3.896 4.589 . 0 0 "[ . 1 . 2]" 1 1336 1 48 VAL QG 1 108 TYR QD . . 4.830 4.488 4.302 4.680 . 0 0 "[ . 1 . 2]" 1 1337 1 48 VAL QG 1 108 TYR QE . . 5.500 3.998 3.616 4.259 . 0 0 "[ . 1 . 2]" 1 1338 1 49 ASP H 1 51 GLY H . . 4.390 4.103 3.640 4.454 0.064 10 0 "[ . 1 . 2]" 1 1339 1 49 ASP H 1 52 SER H . . 3.790 3.064 2.684 3.624 . 0 0 "[ . 1 . 2]" 1 1340 1 49 ASP H 1 52 SER QB . . 3.120 1.877 1.604 2.347 . 0 0 "[ . 1 . 2]" 1 1341 1 49 ASP H 1 57 PHE QD . . 5.500 5.405 4.924 5.585 0.085 5 0 "[ . 1 . 2]" 1 1342 1 49 ASP H 1 107 TYR QD . . 4.620 4.521 4.228 4.699 0.079 11 0 "[ . 1 . 2]" 1 1343 1 49 ASP HA 1 50 GLN H . . 3.380 2.549 2.364 2.705 . 0 0 "[ . 1 . 2]" 1 1344 1 49 ASP HA 1 50 GLN QB . . 4.720 4.351 3.905 4.765 0.045 20 0 "[ . 1 . 2]" 1 1345 1 49 ASP HA 1 51 GLY H . . 4.780 4.212 3.694 4.555 . 0 0 "[ . 1 . 2]" 1 1346 1 49 ASP HA 1 52 SER H . . 5.480 4.681 4.249 5.414 . 0 0 "[ . 1 . 2]" 1 1347 1 49 ASP HA 1 107 TYR QD . . 3.940 2.703 2.449 3.130 . 0 0 "[ . 1 . 2]" 1 1348 1 49 ASP HA 1 107 TYR QE . . 3.340 3.341 2.590 3.434 0.094 20 0 "[ . 1 . 2]" 1 1349 1 49 ASP HB2 1 50 GLN H . . 3.180 2.725 1.900 3.497 0.317 2 0 "[ . 1 . 2]" 1 1350 1 49 ASP HB2 1 50 GLN HA . . 4.570 4.820 4.402 5.423 0.853 11 4 "[ *- . * 1+ . 2]" 1 1351 1 49 ASP HB2 1 50 GLN QB . . 4.590 4.603 3.808 5.305 0.715 11 9 "[ ** - ** *+* . * 2]" 1 1352 1 49 ASP HB2 1 50 GLN QG . . 4.910 3.662 2.543 4.805 . 0 0 "[ . 1 . 2]" 1 1353 1 49 ASP HB2 1 51 GLY H . . 4.690 2.868 2.039 3.600 . 0 0 "[ . 1 . 2]" 1 1354 1 49 ASP HB2 1 52 SER H . . 5.500 3.853 2.294 5.080 . 0 0 "[ . 1 . 2]" 1 1355 1 49 ASP HB2 1 107 TYR QE . . 5.500 5.047 4.124 5.703 0.203 11 0 "[ . 1 . 2]" 1 1356 1 49 ASP HB3 1 50 GLN H . . 3.430 2.733 2.045 3.485 0.055 15 0 "[ . 1 . 2]" 1 1357 1 49 ASP HB3 1 50 GLN QB . . 5.200 4.685 3.913 5.314 0.114 4 0 "[ . 1 . 2]" 1 1358 1 49 ASP HB3 1 51 GLY H . . 5.070 3.260 1.808 4.613 . 0 0 "[ . 1 . 2]" 1 1359 1 49 ASP HB3 1 52 SER QB . . 4.890 4.565 3.838 5.329 0.439 3 0 "[ . 1 . 2]" 1 1360 1 49 ASP HB3 1 107 TYR QD . . 5.500 4.730 4.155 5.102 . 0 0 "[ . 1 . 2]" 1 1361 1 50 GLN H 1 50 GLN QB . . 2.990 2.308 2.108 2.582 . 0 0 "[ . 1 . 2]" 1 1362 1 50 GLN H 1 50 GLN QG . . 3.840 2.193 1.822 2.635 . 0 0 "[ . 1 . 2]" 1 1363 1 50 GLN H 1 51 GLY H . . 3.450 2.743 2.587 2.980 . 0 0 "[ . 1 . 2]" 1 1364 1 50 GLN H 1 51 GLY HA2 . . 5.500 5.396 5.250 5.576 0.076 17 0 "[ . 1 . 2]" 1 1365 1 50 GLN H 1 51 GLY HA3 . . 5.500 5.068 4.918 5.287 . 0 0 "[ . 1 . 2]" 1 1366 1 50 GLN H 1 52 SER H . . 5.110 4.243 3.964 4.827 . 0 0 "[ . 1 . 2]" 1 1367 1 50 GLN H 1 107 TYR QE . . 3.890 2.999 2.632 3.632 . 0 0 "[ . 1 . 2]" 1 1368 1 50 GLN HA 1 50 GLN QB . . 2.770 2.166 2.119 2.196 . 0 0 "[ . 1 . 2]" 1 1369 1 50 GLN HA 1 50 GLN QG . . 3.860 3.370 3.314 3.412 . 0 0 "[ . 1 . 2]" 1 1370 1 50 GLN HA 1 51 GLY H . . 3.350 3.414 3.333 3.437 0.087 11 0 "[ . 1 . 2]" 1 1371 1 50 GLN HA 1 51 GLY HA2 . . 4.560 4.618 4.569 4.637 0.077 3 0 "[ . 1 . 2]" 1 1372 1 50 GLN HA 1 52 SER H . . 4.240 3.822 3.353 4.309 0.069 14 0 "[ . 1 . 2]" 1 1373 1 50 GLN HA 1 107 TYR QE . . 4.180 3.285 2.764 3.824 . 0 0 "[ . 1 . 2]" 1 1374 1 50 GLN QB 1 51 GLY H . . 3.800 3.703 3.443 3.877 0.077 19 0 "[ . 1 . 2]" 1 1375 1 50 GLN QB 1 51 GLY HA2 . . 5.500 4.737 4.377 5.056 . 0 0 "[ . 1 . 2]" 1 1376 1 50 GLN QB 1 51 GLY HA3 . . 5.450 5.139 4.797 5.441 . 0 0 "[ . 1 . 2]" 1 1377 1 50 GLN QB 1 52 SER H . . 5.030 4.951 4.710 5.130 0.100 14 0 "[ . 1 . 2]" 1 1378 1 50 GLN QB 1 107 TYR QE . . 4.650 2.743 2.290 3.409 . 0 0 "[ . 1 . 2]" 1 1379 1 50 GLN HB3 1 107 TYR QE . . 3.910 2.784 2.317 3.527 . 0 0 "[ . 1 . 2]" 1 1380 1 50 GLN QG 1 51 GLY H . . 4.200 2.684 2.274 3.048 . 0 0 "[ . 1 . 2]" 1 1381 1 50 GLN QG 1 51 GLY HA2 . . 5.500 3.877 3.468 4.339 . 0 0 "[ . 1 . 2]" 1 1382 1 50 GLN QG 1 51 GLY HA3 . . 4.850 3.707 3.246 4.394 . 0 0 "[ . 1 . 2]" 1 1383 1 50 GLN QG 1 52 SER H . . 5.500 4.638 4.398 4.903 . 0 0 "[ . 1 . 2]" 1 1384 1 50 GLN QG 1 107 TYR QE . . 5.260 4.257 3.541 4.756 . 0 0 "[ . 1 . 2]" 1 1385 1 51 GLY H 1 52 SER H . . 3.120 2.452 1.975 3.168 0.048 2 0 "[ . 1 . 2]" 1 1386 1 51 GLY H 1 52 SER HA . . 5.260 4.896 4.539 5.235 . 0 0 "[ . 1 . 2]" 1 1387 1 51 GLY HA2 1 52 SER HA . . 5.500 4.696 4.362 4.862 . 0 0 "[ . 1 . 2]" 1 1388 1 52 SER H 1 52 SER QB . . 3.440 2.360 2.063 2.838 . 0 0 "[ . 1 . 2]" 1 1389 1 52 SER H 1 53 ASN H . . 4.550 4.458 4.212 4.626 0.076 14 0 "[ . 1 . 2]" 1 1390 1 52 SER HA 1 53 ASN H . . 2.910 2.537 2.326 2.727 . 0 0 "[ . 1 . 2]" 1 1391 1 52 SER HA 1 56 ASN QB . . 4.380 3.686 2.690 4.458 0.078 4 0 "[ . 1 . 2]" 1 1392 1 52 SER QB 1 53 ASN H . . 3.690 2.442 1.987 2.948 . 0 0 "[ . 1 . 2]" 1 1393 1 52 SER QB 1 53 ASN HA . . 3.750 3.684 3.376 3.764 0.014 15 0 "[ . 1 . 2]" 1 1394 1 52 SER QB 1 100 TYR QE . . 4.790 3.775 2.967 4.404 . 0 0 "[ . 1 . 2]" 1 1395 1 53 ASN H 1 53 ASN QB . . 3.510 3.269 2.771 3.499 . 0 0 "[ . 1 . 2]" 1 1396 1 53 ASN H 1 53 ASN QD . . 5.400 4.319 3.213 5.024 . 0 0 "[ . 1 . 2]" 1 1397 1 53 ASN H 1 100 TYR QE . . 4.660 4.483 3.740 4.763 0.103 3 0 "[ . 1 . 2]" 1 1398 1 53 ASN HA 1 54 GLN H . . 3.200 2.447 2.266 2.739 . 0 0 "[ . 1 . 2]" 1 1399 1 53 ASN HA 1 55 ASN H . . 4.740 4.634 4.422 4.816 0.076 7 0 "[ . 1 . 2]" 1 1400 1 53 ASN QB 1 54 GLN H . . 3.420 2.655 2.127 3.516 0.096 4 0 "[ . 1 . 2]" 1 1401 1 53 ASN QB 1 54 GLN HA . . 5.340 4.681 4.496 5.087 . 0 0 "[ . 1 . 2]" 1 1402 1 53 ASN QB 1 54 GLN HB2 . . 5.500 4.795 4.186 5.593 0.093 17 0 "[ . 1 . 2]" 1 1403 1 53 ASN QB 1 54 GLN HB3 . . 5.360 4.468 3.981 5.140 . 0 0 "[ . 1 . 2]" 1 1404 1 53 ASN QB 1 55 ASN H . . 4.090 3.190 2.790 3.784 . 0 0 "[ . 1 . 2]" 1 1405 1 53 ASN QB 1 55 ASN HB2 . . 4.430 4.487 4.181 4.528 0.098 17 0 "[ . 1 . 2]" 1 1406 1 53 ASN QB 1 55 ASN HB3 . . 3.900 3.740 3.137 3.977 0.077 20 0 "[ . 1 . 2]" 1 1407 1 53 ASN QB 1 55 ASN HD21 . . 5.500 5.341 4.214 5.599 0.099 12 0 "[ . 1 . 2]" 1 1408 1 53 ASN QD 1 55 ASN HB2 . . 5.360 3.159 2.339 4.794 . 0 0 "[ . 1 . 2]" 1 1409 1 53 ASN QD 1 55 ASN HB3 . . 5.500 2.137 1.885 3.540 . 0 0 "[ . 1 . 2]" 1 1410 1 53 ASN QD 1 55 ASN HD21 . . 4.610 3.240 2.860 4.007 . 0 0 "[ . 1 . 2]" 1 1411 1 53 ASN QD 1 56 ASN H . . 5.050 2.973 2.213 3.473 . 0 0 "[ . 1 . 2]" 1 1412 1 53 ASN QD 1 56 ASN HA . . 5.220 4.480 3.704 5.086 . 0 0 "[ . 1 . 2]" 1 1413 1 53 ASN QD 1 56 ASN QB . . 3.940 3.243 2.300 3.940 0.000 4 0 "[ . 1 . 2]" 1 1414 1 53 ASN QD 1 56 ASN HD21 . . 4.660 3.210 2.470 4.602 . 0 0 "[ . 1 . 2]" 1 1415 1 53 ASN QD 1 56 ASN HD22 . . 4.500 3.541 2.581 4.334 . 0 0 "[ . 1 . 2]" 1 1416 1 54 GLN H 1 54 GLN HB2 . . 3.510 2.438 2.249 2.577 . 0 0 "[ . 1 . 2]" 1 1417 1 54 GLN H 1 54 GLN HB3 . . 3.530 2.689 2.482 2.811 . 0 0 "[ . 1 . 2]" 1 1418 1 54 GLN H 1 54 GLN HG2 . . 4.780 4.539 4.441 4.599 . 0 0 "[ . 1 . 2]" 1 1419 1 54 GLN H 1 54 GLN HG3 . . 4.470 4.350 4.158 4.467 . 0 0 "[ . 1 . 2]" 1 1420 1 54 GLN H 1 55 ASN H . . 3.630 2.816 2.441 3.078 . 0 0 "[ . 1 . 2]" 1 1421 1 54 GLN H 1 55 ASN HA . . 5.500 5.421 5.097 5.563 0.063 4 0 "[ . 1 . 2]" 1 1422 1 54 GLN H 1 55 ASN HB2 . . 5.500 5.020 4.548 5.161 . 0 0 "[ . 1 . 2]" 1 1423 1 54 GLN H 1 56 ASN H . . 4.020 4.090 4.022 4.104 0.084 18 0 "[ . 1 . 2]" 1 1424 1 54 GLN H 1 56 ASN QB . . 5.290 5.265 4.643 5.375 0.085 5 0 "[ . 1 . 2]" 1 1425 1 54 GLN H 1 100 TYR QD . . 5.500 5.367 4.814 5.590 0.090 4 0 "[ . 1 . 2]" 1 1426 1 54 GLN H 1 100 TYR QE . . 3.980 3.790 3.405 4.065 0.085 4 0 "[ . 1 . 2]" 1 1427 1 54 GLN HA 1 54 GLN HG3 . . 4.090 2.363 2.211 2.465 . 0 0 "[ . 1 . 2]" 1 1428 1 54 GLN HA 1 56 ASN H . . 5.500 3.879 3.487 4.370 . 0 0 "[ . 1 . 2]" 1 1429 1 54 GLN HA 1 57 PHE H . . 5.010 3.320 2.978 3.785 . 0 0 "[ . 1 . 2]" 1 1430 1 54 GLN HA 1 57 PHE HB2 . . 4.930 3.518 3.135 4.243 . 0 0 "[ . 1 . 2]" 1 1431 1 54 GLN HA 1 57 PHE HB3 . . 4.840 2.578 2.294 2.980 . 0 0 "[ . 1 . 2]" 1 1432 1 54 GLN HA 1 57 PHE QD . . 5.460 4.448 4.011 4.661 . 0 0 "[ . 1 . 2]" 1 1433 1 54 GLN HA 1 58 VAL H . . 5.280 3.565 3.205 4.193 . 0 0 "[ . 1 . 2]" 1 1434 1 54 GLN HA 1 58 VAL QG . . 5.060 3.496 3.082 3.783 . 0 0 "[ . 1 . 2]" 1 1435 1 54 GLN HA 1 100 TYR QD . . 5.500 3.697 3.234 4.093 . 0 0 "[ . 1 . 2]" 1 1436 1 54 GLN HA 1 100 TYR QE . . 5.010 3.125 2.845 3.390 . 0 0 "[ . 1 . 2]" 1 1437 1 54 GLN HB2 1 55 ASN H . . 4.300 3.702 3.535 3.808 . 0 0 "[ . 1 . 2]" 1 1438 1 54 GLN HB2 1 100 TYR QD . . 4.930 3.835 3.060 4.436 . 0 0 "[ . 1 . 2]" 1 1439 1 54 GLN HB2 1 100 TYR QE . . 4.080 2.465 2.142 2.842 . 0 0 "[ . 1 . 2]" 1 1440 1 54 GLN HB3 1 55 ASN H . . 3.730 2.412 2.030 2.572 . 0 0 "[ . 1 . 2]" 1 1441 1 54 GLN HB3 1 55 ASN HB2 . . 5.500 4.060 3.756 4.296 . 0 0 "[ . 1 . 2]" 1 1442 1 54 GLN HB3 1 100 TYR QE . . 5.260 4.065 3.831 4.321 . 0 0 "[ . 1 . 2]" 1 1443 1 54 GLN QE 1 58 VAL QG . . 4.480 2.818 2.176 3.656 . 0 0 "[ . 1 . 2]" 1 1444 1 54 GLN QE 1 97 VAL HA . . 5.500 2.917 2.211 3.909 . 0 0 "[ . 1 . 2]" 1 1445 1 54 GLN QE 1 97 VAL HB . . 5.500 4.655 2.436 5.287 . 0 0 "[ . 1 . 2]" 1 1446 1 54 GLN QE 1 97 VAL QG . . 4.010 2.318 2.094 2.630 . 0 0 "[ . 1 . 2]" 1 1447 1 54 GLN QE 1 100 TYR QD . . 5.110 2.796 1.957 4.001 . 0 0 "[ . 1 . 2]" 1 1448 1 54 GLN QE 1 100 TYR QE . . 4.910 3.882 3.194 4.497 . 0 0 "[ . 1 . 2]" 1 1449 1 54 GLN HG2 1 55 ASN H . . 4.880 3.731 2.937 4.097 . 0 0 "[ . 1 . 2]" 1 1450 1 54 GLN HG2 1 55 ASN HA . . 5.190 3.916 3.373 4.289 . 0 0 "[ . 1 . 2]" 1 1451 1 54 GLN HG2 1 58 VAL QG . . 4.040 2.458 2.104 3.037 . 0 0 "[ . 1 . 2]" 1 1452 1 54 GLN HG2 1 97 VAL HA . . 5.470 4.859 3.592 5.535 0.065 15 0 "[ . 1 . 2]" 1 1453 1 54 GLN HG2 1 100 TYR QD . . 4.930 4.466 4.159 5.021 0.091 18 0 "[ . 1 . 2]" 1 1454 1 54 GLN HG2 1 100 TYR QE . . 5.500 4.562 4.237 4.909 . 0 0 "[ . 1 . 2]" 1 1455 1 54 GLN HG3 1 58 VAL QG . . 4.230 2.567 2.141 2.922 . 0 0 "[ . 1 . 2]" 1 1456 1 54 GLN HG3 1 97 VAL QG . . 4.390 4.045 3.521 4.254 . 0 0 "[ . 1 . 2]" 1 1457 1 54 GLN HG3 1 100 TYR QD . . 4.690 3.028 2.621 3.877 . 0 0 "[ . 1 . 2]" 1 1458 1 54 GLN HG3 1 100 TYR QE . . 4.010 3.390 2.946 4.100 0.090 15 0 "[ . 1 . 2]" 1 1459 1 55 ASN H 1 55 ASN HB2 . . 3.130 2.357 2.231 2.490 . 0 0 "[ . 1 . 2]" 1 1460 1 55 ASN H 1 55 ASN HB3 . . 3.110 2.653 2.536 2.769 . 0 0 "[ . 1 . 2]" 1 1461 1 55 ASN H 1 55 ASN HD21 . . 4.890 4.817 4.664 4.952 0.062 8 0 "[ . 1 . 2]" 1 1462 1 55 ASN H 1 56 ASN H . . 3.220 2.902 2.735 3.047 . 0 0 "[ . 1 . 2]" 1 1463 1 55 ASN H 1 58 VAL QG . . 5.500 4.712 3.425 5.141 . 0 0 "[ . 1 . 2]" 1 1464 1 55 ASN H 1 100 TYR QE . . 5.500 5.533 5.355 5.596 0.096 6 0 "[ . 1 . 2]" 1 1465 1 55 ASN HA 1 55 ASN HD22 . . 5.450 4.460 4.302 4.581 . 0 0 "[ . 1 . 2]" 1 1466 1 55 ASN HA 1 57 PHE H . . 5.500 4.090 3.713 4.490 . 0 0 "[ . 1 . 2]" 1 1467 1 55 ASN HA 1 58 VAL H . . 4.430 4.040 3.198 4.337 . 0 0 "[ . 1 . 2]" 1 1468 1 55 ASN HA 1 58 VAL HB . . 4.010 3.492 2.996 4.124 0.114 19 0 "[ . 1 . 2]" 1 1469 1 55 ASN HA 1 58 VAL QG . . 4.530 3.722 1.774 4.172 . 0 0 "[ . 1 . 2]" 1 1470 1 55 ASN HB2 1 56 ASN H . . 4.340 4.168 3.716 4.405 0.065 6 0 "[ . 1 . 2]" 1 1471 1 55 ASN HB3 1 55 ASN HD21 . . 3.660 2.238 2.156 2.408 . 0 0 "[ . 1 . 2]" 1 1472 1 55 ASN HB3 1 56 ASN H . . 3.520 3.216 2.535 3.599 0.079 11 0 "[ . 1 . 2]" 1 1473 1 55 ASN HD21 1 56 ASN H . . 5.390 4.604 3.522 5.268 . 0 0 "[ . 1 . 2]" 1 1474 1 55 ASN HD21 1 56 ASN HA . . 5.500 4.662 3.346 5.493 . 0 0 "[ . 1 . 2]" 1 1475 1 55 ASN HD21 1 56 ASN HD21 . . 3.780 3.101 2.412 3.835 0.055 14 0 "[ . 1 . 2]" 1 1476 1 55 ASN HD22 1 56 ASN HD21 . . 4.380 4.100 3.163 4.444 0.064 16 0 "[ . 1 . 2]" 1 1477 1 55 ASN HD22 1 59 HIS HE1 . . 4.360 3.318 2.477 4.439 0.079 12 0 "[ . 1 . 2]" 1 1478 1 56 ASN H 1 56 ASN QB . . 3.160 2.421 2.019 2.668 . 0 0 "[ . 1 . 2]" 1 1479 1 56 ASN H 1 56 ASN HD21 . . 4.740 3.369 2.695 4.308 . 0 0 "[ . 1 . 2]" 1 1480 1 56 ASN H 1 56 ASN HD22 . . 4.840 4.718 4.024 4.930 0.090 7 0 "[ . 1 . 2]" 1 1481 1 56 ASN H 1 57 PHE H . . 3.430 2.191 1.883 2.739 . 0 0 "[ . 1 . 2]" 1 1482 1 56 ASN H 1 57 PHE HA . . 5.480 4.852 4.599 5.341 . 0 0 "[ . 1 . 2]" 1 1483 1 56 ASN H 1 58 VAL H . . 5.190 3.989 3.627 4.444 . 0 0 "[ . 1 . 2]" 1 1484 1 56 ASN H 1 58 VAL QG . . 5.500 4.902 3.991 5.275 . 0 0 "[ . 1 . 2]" 1 1485 1 56 ASN H 1 59 HIS H . . 5.060 4.492 3.852 4.873 . 0 0 "[ . 1 . 2]" 1 1486 1 56 ASN HA 1 56 ASN HD22 . . 5.390 3.489 3.217 3.742 . 0 0 "[ . 1 . 2]" 1 1487 1 56 ASN HA 1 58 VAL H . . 5.120 4.804 4.517 5.079 . 0 0 "[ . 1 . 2]" 1 1488 1 56 ASN HA 1 59 HIS H . . 4.100 3.730 3.254 4.168 0.068 14 0 "[ . 1 . 2]" 1 1489 1 56 ASN HA 1 59 HIS HB2 . . 3.700 2.923 2.182 3.766 0.066 7 0 "[ . 1 . 2]" 1 1490 1 56 ASN QB 1 57 PHE H . . 3.890 3.291 2.749 3.703 . 0 0 "[ . 1 . 2]" 1 1491 1 56 ASN QB 1 58 VAL H . . 5.500 5.221 4.902 5.555 0.055 13 0 "[ . 1 . 2]" 1 1492 1 56 ASN HD21 1 57 PHE H . . 5.500 4.823 4.455 5.497 . 0 0 "[ . 1 . 2]" 1 1493 1 57 PHE H 1 57 PHE HB3 . . 3.630 2.470 2.372 2.628 . 0 0 "[ . 1 . 2]" 1 1494 1 57 PHE H 1 58 VAL H . . 3.790 2.263 1.769 2.522 . 0 0 "[ . 1 . 2]" 1 1495 1 57 PHE H 1 58 VAL HB . . 5.190 4.341 3.964 5.285 0.095 19 0 "[ . 1 . 2]" 1 1496 1 57 PHE H 1 58 VAL QG . . 5.160 3.901 3.282 4.268 . 0 0 "[ . 1 . 2]" 1 1497 1 57 PHE H 1 59 HIS H . . 3.580 3.603 3.225 3.669 0.089 4 0 "[ . 1 . 2]" 1 1498 1 57 PHE H 1 59 HIS HB2 . . 5.500 4.791 4.290 5.198 . 0 0 "[ . 1 . 2]" 1 1499 1 57 PHE H 1 60 ASP H . . 5.500 4.382 3.678 4.674 . 0 0 "[ . 1 . 2]" 1 1500 1 57 PHE HA 1 57 PHE QD . . 4.390 3.275 3.203 3.423 . 0 0 "[ . 1 . 2]" 1 1501 1 57 PHE HA 1 57 PHE QE . . 5.500 4.996 4.906 5.215 . 0 0 "[ . 1 . 2]" 1 1502 1 57 PHE HA 1 58 VAL HA . . 4.820 4.812 4.685 4.879 0.059 20 0 "[ . 1 . 2]" 1 1503 1 57 PHE HA 1 58 VAL QG . . 5.500 4.833 4.685 5.018 . 0 0 "[ . 1 . 2]" 1 1504 1 57 PHE HA 1 60 ASP H . . 4.760 3.875 3.581 4.155 . 0 0 "[ . 1 . 2]" 1 1505 1 57 PHE HA 1 60 ASP QB . . 4.210 3.436 2.879 4.111 . 0 0 "[ . 1 . 2]" 1 1506 1 57 PHE HA 1 61 CYS H . . 4.940 3.953 3.749 4.177 . 0 0 "[ . 1 . 2]" 1 1507 1 57 PHE HA 1 61 CYS HB3 . . 5.500 4.992 4.316 5.332 . 0 0 "[ . 1 . 2]" 1 1508 1 57 PHE HB2 1 58 VAL H . . 4.590 3.768 3.529 4.186 . 0 0 "[ . 1 . 2]" 1 1509 1 57 PHE HB2 1 100 TYR HB2 . . 4.830 4.920 4.067 5.582 0.752 3 1 "[ + . 1 . 2]" 1 1510 1 57 PHE HB2 1 100 TYR QE . . 3.780 3.265 2.863 3.797 0.017 14 0 "[ . 1 . 2]" 1 1511 1 57 PHE HB3 1 58 VAL H . . 4.140 2.422 2.193 3.025 . 0 0 "[ . 1 . 2]" 1 1512 1 57 PHE HB3 1 100 TYR QD . . 5.500 3.172 2.740 3.797 . 0 0 "[ . 1 . 2]" 1 1513 1 57 PHE HB3 1 100 TYR QE . . 4.180 3.586 3.178 4.186 0.006 4 0 "[ . 1 . 2]" 1 1514 1 57 PHE QD 1 58 VAL H . . 4.410 3.220 2.994 3.624 . 0 0 "[ . 1 . 2]" 1 1515 1 57 PHE QD 1 58 VAL HA . . 4.040 3.030 2.735 3.501 . 0 0 "[ . 1 . 2]" 1 1516 1 57 PHE QD 1 58 VAL QG . . 3.790 2.897 2.475 3.428 . 0 0 "[ . 1 . 2]" 1 1517 1 57 PHE QD 1 100 TYR H . . 5.500 4.452 4.105 4.829 . 0 0 "[ . 1 . 2]" 1 1518 1 57 PHE QD 1 100 TYR HB2 . . 4.450 2.815 2.343 3.259 . 0 0 "[ . 1 . 2]" 1 1519 1 57 PHE QD 1 100 TYR HB3 . . 4.550 4.319 3.928 4.602 0.052 10 0 "[ . 1 . 2]" 1 1520 1 57 PHE QD 1 100 TYR QD . . 4.190 2.854 2.704 2.946 . 0 0 "[ . 1 . 2]" 1 1521 1 57 PHE QD 1 100 TYR QE . . 3.370 3.428 3.229 3.478 0.108 3 0 "[ . 1 . 2]" 1 1522 1 57 PHE QE 1 58 VAL HA . . 5.080 4.780 4.401 5.096 0.016 19 0 "[ . 1 . 2]" 1 1523 1 57 PHE QE 1 58 VAL QG . . 4.430 4.176 3.742 4.454 0.024 14 0 "[ . 1 . 2]" 1 1524 1 57 PHE QE 1 96 CYS HA . . 4.270 3.403 3.012 4.278 0.008 3 0 "[ . 1 . 2]" 1 1525 1 57 PHE QE 1 99 GLN H . . 4.980 4.684 4.350 5.067 0.087 3 0 "[ . 1 . 2]" 1 1526 1 57 PHE QE 1 99 GLN HB2 . . 4.940 4.470 4.037 5.019 0.079 3 0 "[ . 1 . 2]" 1 1527 1 57 PHE QE 1 99 GLN HB3 . . 3.830 2.771 2.314 3.371 . 0 0 "[ . 1 . 2]" 1 1528 1 57 PHE QE 1 100 TYR H . . 3.960 3.028 2.806 3.246 . 0 0 "[ . 1 . 2]" 1 1529 1 57 PHE QE 1 100 TYR HB2 . . 3.990 2.769 2.368 3.157 . 0 0 "[ . 1 . 2]" 1 1530 1 57 PHE QE 1 100 TYR HB3 . . 4.310 4.142 3.817 4.366 0.056 9 0 "[ . 1 . 2]" 1 1531 1 57 PHE QE 1 100 TYR QD . . 4.520 3.200 2.956 3.361 . 0 0 "[ . 1 . 2]" 1 1532 1 57 PHE QE 1 100 TYR QE . . 5.140 4.597 4.421 4.810 . 0 0 "[ . 1 . 2]" 1 1533 1 57 PHE QE 1 103 GLU HB3 . . 4.700 3.202 2.931 3.553 . 0 0 "[ . 1 . 2]" 1 1534 1 57 PHE QE 1 103 GLU HG2 . . 5.470 4.651 3.987 5.002 . 0 0 "[ . 1 . 2]" 1 1535 1 57 PHE QE 1 103 GLU HG3 . . 4.950 3.541 3.111 4.493 . 0 0 "[ . 1 . 2]" 1 1536 1 57 PHE HZ 1 99 GLN HB3 . . 5.440 3.742 3.314 4.695 . 0 0 "[ . 1 . 2]" 1 1537 1 57 PHE HZ 1 99 GLN HG2 . . 5.500 4.071 3.519 4.614 . 0 0 "[ . 1 . 2]" 1 1538 1 57 PHE HZ 1 99 GLN HG3 . . 5.500 2.915 2.379 3.529 . 0 0 "[ . 1 . 2]" 1 1539 1 57 PHE HZ 1 100 TYR H . . 5.120 4.139 3.641 4.962 . 0 0 "[ . 1 . 2]" 1 1540 1 57 PHE HZ 1 100 TYR HB2 . . 4.980 3.986 3.238 4.466 . 0 0 "[ . 1 . 2]" 1 1541 1 57 PHE HZ 1 103 GLU H . . 5.150 4.464 4.263 4.768 . 0 0 "[ . 1 . 2]" 1 1542 1 57 PHE HZ 1 103 GLU HA . . 5.500 5.543 5.168 5.585 0.085 18 0 "[ . 1 . 2]" 1 1543 1 57 PHE HZ 1 103 GLU HG2 . . 3.960 3.758 2.892 4.372 0.412 20 0 "[ . 1 . 2]" 1 1544 1 57 PHE HZ 1 103 GLU HG3 . . 4.500 2.602 2.300 3.333 . 0 0 "[ . 1 . 2]" 1 1545 1 58 VAL H 1 58 VAL HB . . 3.460 2.514 2.270 3.527 0.067 7 0 "[ . 1 . 2]" 1 1546 1 58 VAL H 1 58 VAL QG . . 3.410 2.235 2.063 2.449 . 0 0 "[ . 1 . 2]" 1 1547 1 58 VAL H 1 59 HIS H . . 3.630 2.843 2.569 3.193 . 0 0 "[ . 1 . 2]" 1 1548 1 58 VAL H 1 60 ASP H . . 5.420 4.380 4.035 4.650 . 0 0 "[ . 1 . 2]" 1 1549 1 58 VAL H 1 61 CYS HB3 . . 5.500 4.707 4.401 5.189 . 0 0 "[ . 1 . 2]" 1 1550 1 58 VAL HA 1 58 VAL QG . . 3.200 2.154 2.128 2.200 . 0 0 "[ . 1 . 2]" 1 1551 1 58 VAL HA 1 59 HIS HA . . 4.920 4.705 4.601 4.838 . 0 0 "[ . 1 . 2]" 1 1552 1 58 VAL HA 1 60 ASP H . . 5.160 4.636 4.146 4.923 . 0 0 "[ . 1 . 2]" 1 1553 1 58 VAL HA 1 61 CYS H . . 4.260 3.570 3.388 3.695 . 0 0 "[ . 1 . 2]" 1 1554 1 58 VAL HA 1 61 CYS HA . . 5.500 5.313 5.107 5.529 0.029 9 0 "[ . 1 . 2]" 1 1555 1 58 VAL HA 1 61 CYS HB2 . . 4.280 3.642 3.334 4.373 0.093 15 0 "[ . 1 . 2]" 1 1556 1 58 VAL HA 1 61 CYS HB3 . . 3.930 2.419 2.136 3.477 . 0 0 "[ . 1 . 2]" 1 1557 1 58 VAL HA 1 62 VAL H . . 4.980 3.947 3.736 4.284 . 0 0 "[ . 1 . 2]" 1 1558 1 58 VAL HA 1 62 VAL HB . . 5.500 5.261 4.783 5.558 0.058 16 0 "[ . 1 . 2]" 1 1559 1 58 VAL HA 1 96 CYS HB3 . . 3.760 2.578 2.244 3.729 . 0 0 "[ . 1 . 2]" 1 1560 1 58 VAL HB 1 59 HIS H . . 3.640 2.708 2.484 3.561 . 0 0 "[ . 1 . 2]" 1 1561 1 58 VAL HB 1 59 HIS HA . . 5.440 4.426 4.138 4.661 . 0 0 "[ . 1 . 2]" 1 1562 1 58 VAL HB 1 59 HIS HB2 . . 5.500 4.864 4.406 5.574 0.074 19 0 "[ . 1 . 2]" 1 1563 1 58 VAL HB 1 59 HIS HD2 . . 4.660 4.158 3.058 4.740 0.080 5 0 "[ . 1 . 2]" 1 1564 1 58 VAL HB 1 60 ASP H . . 5.500 5.250 4.923 5.568 0.068 19 0 "[ . 1 . 2]" 1 1565 1 58 VAL QG 1 59 HIS H . . 4.050 3.043 2.386 3.249 . 0 0 "[ . 1 . 2]" 1 1566 1 58 VAL QG 1 59 HIS HA . . 4.200 3.295 2.931 3.867 . 0 0 "[ . 1 . 2]" 1 1567 1 58 VAL QG 1 59 HIS HB2 . . 4.810 4.576 4.016 4.713 . 0 0 "[ . 1 . 2]" 1 1568 1 58 VAL QG 1 59 HIS HB3 . . 5.500 5.078 4.780 5.323 . 0 0 "[ . 1 . 2]" 1 1569 1 58 VAL QG 1 59 HIS HD2 . . 3.890 2.940 2.286 3.733 . 0 0 "[ . 1 . 2]" 1 1570 1 58 VAL QG 1 93 GLU HG2 . . 3.870 2.770 1.989 3.732 . 0 0 "[ . 1 . 2]" 1 1571 1 58 VAL QG 1 93 GLU HG3 . . 3.810 2.860 2.070 3.751 . 0 0 "[ . 1 . 2]" 1 1572 1 58 VAL QG 1 96 CYS HA . . 4.770 4.323 3.662 4.697 . 0 0 "[ . 1 . 2]" 1 1573 1 58 VAL QG 1 96 CYS HB2 . . 4.450 3.047 1.937 4.033 . 0 0 "[ . 1 . 2]" 1 1574 1 58 VAL QG 1 96 CYS HB3 . . 4.000 2.560 2.109 2.944 . 0 0 "[ . 1 . 2]" 1 1575 1 58 VAL QG 1 97 VAL H . . 4.360 3.076 2.416 3.540 . 0 0 "[ . 1 . 2]" 1 1576 1 58 VAL QG 1 97 VAL HA . . 3.540 2.695 2.380 3.038 . 0 0 "[ . 1 . 2]" 1 1577 1 58 VAL QG 1 97 VAL QG . . 3.940 2.089 1.865 2.295 . 0 0 "[ . 1 . 2]" 1 1578 1 58 VAL QG 1 100 TYR H . . 5.280 4.463 3.956 4.984 . 0 0 "[ . 1 . 2]" 1 1579 1 58 VAL QG 1 100 TYR HB2 . . 4.680 3.380 2.731 4.145 . 0 0 "[ . 1 . 2]" 1 1580 1 58 VAL QG 1 100 TYR QD . . 4.300 3.985 3.621 4.351 0.051 15 0 "[ . 1 . 2]" 1 1581 1 58 VAL QG 1 100 TYR QE . . 5.500 4.817 4.449 5.146 . 0 0 "[ . 1 . 2]" 1 1582 1 59 HIS H 1 59 HIS HB2 . . 3.200 2.345 2.113 2.497 . 0 0 "[ . 1 . 2]" 1 1583 1 59 HIS H 1 59 HIS HD2 . . 4.090 3.500 2.595 4.141 0.051 5 0 "[ . 1 . 2]" 1 1584 1 59 HIS H 1 60 ASP H . . 3.670 2.875 2.761 3.047 . 0 0 "[ . 1 . 2]" 1 1585 1 59 HIS H 1 60 ASP QB . . 5.460 4.718 4.437 5.046 . 0 0 "[ . 1 . 2]" 1 1586 1 59 HIS HA 1 59 HIS HD2 . . 3.390 2.242 2.105 2.590 . 0 0 "[ . 1 . 2]" 1 1587 1 59 HIS HA 1 62 VAL H . . 4.400 3.370 3.054 3.659 . 0 0 "[ . 1 . 2]" 1 1588 1 59 HIS HA 1 62 VAL HB . . 3.850 2.675 2.224 3.188 . 0 0 "[ . 1 . 2]" 1 1589 1 59 HIS HA 1 62 VAL MG1 . . 4.810 4.027 3.646 4.498 . 0 0 "[ . 1 . 2]" 1 1590 1 59 HIS HA 1 62 VAL MG2 . . 4.250 3.446 3.146 3.813 . 0 0 "[ . 1 . 2]" 1 1591 1 59 HIS HA 1 63 ASN H . . 4.690 4.473 4.027 4.752 0.062 10 0 "[ . 1 . 2]" 1 1592 1 59 HIS HB2 1 60 ASP H . . 3.600 2.902 2.478 3.164 . 0 0 "[ . 1 . 2]" 1 1593 1 59 HIS HB3 1 60 ASP H . . 3.970 3.509 2.854 3.837 . 0 0 "[ . 1 . 2]" 1 1594 1 59 HIS HD2 1 60 ASP H . . 5.500 5.370 5.010 5.554 0.054 17 0 "[ . 1 . 2]" 1 1595 1 60 ASP H 1 60 ASP QB . . 3.270 2.231 2.054 2.569 . 0 0 "[ . 1 . 2]" 1 1596 1 60 ASP H 1 61 CYS H . . 3.370 2.546 2.376 2.783 . 0 0 "[ . 1 . 2]" 1 1597 1 60 ASP H 1 62 VAL H . . 4.870 4.139 3.912 4.362 . 0 0 "[ . 1 . 2]" 1 1598 1 60 ASP H 1 62 VAL MG2 . . 5.500 5.389 5.037 5.580 0.080 11 0 "[ . 1 . 2]" 1 1599 1 60 ASP H 1 63 ASN H . . 4.990 4.752 4.549 4.997 0.007 15 0 "[ . 1 . 2]" 1 1600 1 60 ASP H 1 63 ASN HB3 . . 5.500 5.141 4.865 5.514 0.014 15 0 "[ . 1 . 2]" 1 1601 1 60 ASP HA 1 62 VAL H . . 5.500 4.369 4.111 4.607 . 0 0 "[ . 1 . 2]" 1 1602 1 60 ASP HA 1 63 ASN H . . 3.940 3.210 2.799 3.571 . 0 0 "[ . 1 . 2]" 1 1603 1 60 ASP HA 1 63 ASN HB2 . . 3.670 3.612 3.103 3.758 0.088 17 0 "[ . 1 . 2]" 1 1604 1 60 ASP HA 1 63 ASN HB3 . . 3.640 2.482 2.058 2.964 . 0 0 "[ . 1 . 2]" 1 1605 1 60 ASP HA 1 63 ASN HD21 . . 4.840 3.515 2.840 4.144 . 0 0 "[ . 1 . 2]" 1 1606 1 60 ASP HA 1 63 ASN HD22 . . 5.500 5.151 4.557 5.581 0.081 4 0 "[ . 1 . 2]" 1 1607 1 60 ASP HA 1 64 ILE H . . 4.530 3.759 3.404 3.927 . 0 0 "[ . 1 . 2]" 1 1608 1 60 ASP HA 1 64 ILE HB . . 5.340 5.200 4.793 5.411 0.071 9 0 "[ . 1 . 2]" 1 1609 1 60 ASP HA 1 64 ILE MD . . 5.500 4.949 4.549 5.330 . 0 0 "[ . 1 . 2]" 1 1610 1 60 ASP HA 1 64 ILE QG . . 5.300 3.724 3.390 4.116 . 0 0 "[ . 1 . 2]" 1 1611 1 60 ASP QB 1 61 CYS H . . 3.790 2.844 2.510 3.461 . 0 0 "[ . 1 . 2]" 1 1612 1 60 ASP QB 1 62 VAL H . . 5.500 4.889 4.542 5.092 . 0 0 "[ . 1 . 2]" 1 1613 1 60 ASP QB 1 64 ILE HB . . 4.870 4.682 4.045 4.807 . 0 0 "[ . 1 . 2]" 1 1614 1 60 ASP QB 1 64 ILE MD . . 5.500 4.647 4.049 5.173 . 0 0 "[ . 1 . 2]" 1 1615 1 60 ASP QB 1 64 ILE QG . . 4.750 3.449 2.994 3.921 . 0 0 "[ . 1 . 2]" 1 1616 1 61 CYS H 1 61 CYS HB2 . . 3.570 2.595 2.350 3.561 . 0 0 "[ . 1 . 2]" 1 1617 1 61 CYS H 1 61 CYS HB3 . . 3.540 2.334 2.190 2.591 . 0 0 "[ . 1 . 2]" 1 1618 1 61 CYS H 1 62 VAL H . . 3.820 2.788 2.613 2.964 . 0 0 "[ . 1 . 2]" 1 1619 1 61 CYS H 1 62 VAL MG2 . . 5.050 4.410 4.190 4.647 . 0 0 "[ . 1 . 2]" 1 1620 1 61 CYS H 1 63 ASN H . . 5.110 3.948 3.621 4.261 . 0 0 "[ . 1 . 2]" 1 1621 1 61 CYS H 1 63 ASN HB3 . . 5.500 5.064 4.666 5.318 . 0 0 "[ . 1 . 2]" 1 1622 1 61 CYS HA 1 62 VAL H . . 3.530 3.570 3.511 3.603 0.073 1 0 "[ . 1 . 2]" 1 1623 1 61 CYS HA 1 64 ILE HB . . 4.690 2.744 2.402 2.944 . 0 0 "[ . 1 . 2]" 1 1624 1 61 CYS HA 1 65 THR H . . 3.400 3.417 3.138 3.482 0.082 17 0 "[ . 1 . 2]" 1 1625 1 61 CYS HB2 1 62 VAL H . . 4.580 4.034 3.888 4.238 . 0 0 "[ . 1 . 2]" 1 1626 1 61 CYS HB3 1 62 VAL H . . 4.160 2.818 2.541 3.912 . 0 0 "[ . 1 . 2]" 1 1627 1 61 CYS HB3 1 62 VAL HA . . 5.430 4.718 4.486 5.510 0.080 15 0 "[ . 1 . 2]" 1 1628 1 61 CYS HB3 1 62 VAL MG2 . . 4.660 3.422 2.979 4.718 0.058 15 0 "[ . 1 . 2]" 1 1629 1 62 VAL H 1 62 VAL HB . . 3.380 2.302 2.213 2.394 . 0 0 "[ . 1 . 2]" 1 1630 1 62 VAL H 1 62 VAL MG1 . . 3.920 3.709 3.637 3.776 . 0 0 "[ . 1 . 2]" 1 1631 1 62 VAL H 1 62 VAL MG2 . . 3.190 2.343 2.243 2.570 . 0 0 "[ . 1 . 2]" 1 1632 1 62 VAL H 1 63 ASN H . . 3.660 2.628 2.478 2.725 . 0 0 "[ . 1 . 2]" 1 1633 1 62 VAL H 1 63 ASN HA . . 5.160 5.218 5.117 5.238 0.078 4 0 "[ . 1 . 2]" 1 1634 1 62 VAL H 1 63 ASN HB2 . . 5.400 5.293 5.004 5.469 0.069 3 0 "[ . 1 . 2]" 1 1635 1 62 VAL H 1 63 ASN HB3 . . 4.970 4.695 4.514 4.852 . 0 0 "[ . 1 . 2]" 1 1636 1 62 VAL H 1 66 ILE MD . . 5.500 5.583 5.473 5.612 0.112 14 0 "[ . 1 . 2]" 1 1637 1 62 VAL H 1 92 VAL QG . . 5.020 3.731 3.412 3.944 . 0 0 "[ . 1 . 2]" 1 1638 1 62 VAL HA 1 62 VAL MG1 . . 3.170 2.504 2.417 2.572 . 0 0 "[ . 1 . 2]" 1 1639 1 62 VAL HA 1 62 VAL MG2 . . 3.550 2.343 2.296 2.390 . 0 0 "[ . 1 . 2]" 1 1640 1 62 VAL HA 1 63 ASN HA . . 5.500 4.607 4.429 4.768 . 0 0 "[ . 1 . 2]" 1 1641 1 62 VAL HA 1 64 ILE H . . 5.500 4.907 4.574 5.178 . 0 0 "[ . 1 . 2]" 1 1642 1 62 VAL HA 1 65 THR H . . 4.630 4.014 3.698 4.287 . 0 0 "[ . 1 . 2]" 1 1643 1 62 VAL HA 1 65 THR HB . . 4.110 3.245 2.947 3.607 . 0 0 "[ . 1 . 2]" 1 1644 1 62 VAL HA 1 65 THR HG1 . . 4.850 3.788 3.443 4.253 . 0 0 "[ . 1 . 2]" 1 1645 1 62 VAL HA 1 65 THR MG . . 4.500 4.490 4.260 4.626 0.126 10 0 "[ . 1 . 2]" 1 1646 1 62 VAL HA 1 66 ILE H . . 4.760 3.894 3.656 4.144 . 0 0 "[ . 1 . 2]" 1 1647 1 62 VAL HA 1 66 ILE MD . . 5.030 3.525 3.294 3.785 . 0 0 "[ . 1 . 2]" 1 1648 1 62 VAL HA 1 92 VAL QG . . 2.990 2.021 1.888 2.176 . 0 0 "[ . 1 . 2]" 1 1649 1 62 VAL HB 1 63 ASN H . . 3.450 3.279 2.881 3.519 0.069 5 0 "[ . 1 . 2]" 1 1650 1 62 VAL MG1 1 63 ASN H . . 3.830 3.807 3.550 3.935 0.105 5 0 "[ . 1 . 2]" 1 1651 1 62 VAL MG1 1 63 ASN HA . . 3.860 3.748 3.368 3.968 0.108 5 0 "[ . 1 . 2]" 1 1652 1 62 VAL MG1 1 63 ASN HB2 . . 5.390 4.631 4.312 4.842 . 0 0 "[ . 1 . 2]" 1 1653 1 62 VAL MG1 1 63 ASN HB3 . . 5.240 5.226 4.824 5.343 0.103 18 0 "[ . 1 . 2]" 1 1654 1 62 VAL MG1 1 65 THR HB . . 5.100 4.845 4.307 5.196 0.096 12 0 "[ . 1 . 2]" 1 1655 1 62 VAL MG1 1 65 THR MG . . 5.430 5.384 4.951 5.558 0.128 5 0 "[ . 1 . 2]" 1 1656 1 62 VAL MG1 1 66 ILE H . . 5.050 4.578 4.037 5.021 . 0 0 "[ . 1 . 2]" 1 1657 1 62 VAL MG1 1 66 ILE MD . . 3.020 2.215 1.931 2.476 . 0 0 "[ . 1 . 2]" 1 1658 1 62 VAL MG1 1 66 ILE HG13 . . 4.330 3.490 3.014 4.310 . 0 0 "[ . 1 . 2]" 1 1659 1 62 VAL MG1 1 89 GLU HA . . 3.950 2.750 2.446 3.050 . 0 0 "[ . 1 . 2]" 1 1660 1 62 VAL MG1 1 89 GLU HB2 . . 4.890 4.702 4.201 5.012 0.122 17 0 "[ . 1 . 2]" 1 1661 1 62 VAL MG1 1 89 GLU HB3 . . 5.180 3.645 2.971 4.398 . 0 0 "[ . 1 . 2]" 1 1662 1 62 VAL MG1 1 89 GLU HG2 . . 4.490 2.929 2.225 3.423 . 0 0 "[ . 1 . 2]" 1 1663 1 62 VAL MG1 1 92 VAL H . . 5.500 5.117 4.719 5.401 . 0 0 "[ . 1 . 2]" 1 1664 1 62 VAL MG1 1 92 VAL QG . . 3.440 3.086 2.352 3.420 . 0 0 "[ . 1 . 2]" 1 1665 1 62 VAL MG1 1 93 GLU H . . 5.450 4.065 3.714 4.457 . 0 0 "[ . 1 . 2]" 1 1666 1 62 VAL MG2 1 63 ASN H . . 4.170 4.233 4.099 4.281 0.111 9 0 "[ . 1 . 2]" 1 1667 1 62 VAL MG2 1 65 THR MG . . 5.070 5.139 4.984 5.203 0.133 20 0 "[ . 1 . 2]" 1 1668 1 62 VAL MG2 1 66 ILE MD . . 3.990 3.871 3.628 4.041 0.051 5 0 "[ . 1 . 2]" 1 1669 1 62 VAL MG2 1 89 GLU HA . . 5.190 3.762 3.168 4.206 . 0 0 "[ . 1 . 2]" 1 1670 1 62 VAL MG2 1 89 GLU HB3 . . 5.500 4.817 3.928 5.583 0.083 17 0 "[ . 1 . 2]" 1 1671 1 62 VAL MG2 1 89 GLU HG2 . . 5.500 4.830 4.021 5.314 . 0 0 "[ . 1 . 2]" 1 1672 1 62 VAL MG2 1 90 ARG HA . . 5.500 5.157 4.872 5.462 . 0 0 "[ . 1 . 2]" 1 1673 1 62 VAL MG2 1 92 VAL H . . 5.500 4.524 4.291 4.858 . 0 0 "[ . 1 . 2]" 1 1674 1 62 VAL MG2 1 92 VAL QG . . 3.110 2.180 1.979 2.348 . 0 0 "[ . 1 . 2]" 1 1675 1 62 VAL MG2 1 93 GLU H . . 3.920 2.818 2.591 3.003 . 0 0 "[ . 1 . 2]" 1 1676 1 62 VAL MG2 1 93 GLU HA . . 2.820 2.310 2.052 2.619 . 0 0 "[ . 1 . 2]" 1 1677 1 62 VAL MG2 1 93 GLU HB2 . . 4.310 2.739 2.293 4.000 . 0 0 "[ . 1 . 2]" 1 1678 1 62 VAL MG2 1 93 GLU HB3 . . 4.690 3.909 3.625 4.352 . 0 0 "[ . 1 . 2]" 1 1679 1 62 VAL MG2 1 94 GLN H . . 5.340 4.834 4.604 5.050 . 0 0 "[ . 1 . 2]" 1 1680 1 62 VAL MG2 1 96 CYS HB3 . . 4.240 4.084 3.615 4.667 0.427 6 0 "[ . 1 . 2]" 1 1681 1 63 ASN H 1 63 ASN HB2 . . 3.070 2.941 2.544 3.146 0.076 5 0 "[ . 1 . 2]" 1 1682 1 63 ASN H 1 63 ASN HB3 . . 3.220 2.281 2.139 2.354 . 0 0 "[ . 1 . 2]" 1 1683 1 63 ASN H 1 63 ASN HD22 . . 5.500 5.561 5.417 5.594 0.094 15 0 "[ . 1 . 2]" 1 1684 1 63 ASN H 1 64 ILE H . . 3.720 2.428 2.300 2.555 . 0 0 "[ . 1 . 2]" 1 1685 1 63 ASN H 1 64 ILE HB . . 4.990 4.405 4.356 4.438 . 0 0 "[ . 1 . 2]" 1 1686 1 63 ASN H 1 64 ILE MD . . 5.500 5.331 5.123 5.510 0.010 13 0 "[ . 1 . 2]" 1 1687 1 63 ASN H 1 64 ILE QG . . 5.500 4.159 3.882 4.416 . 0 0 "[ . 1 . 2]" 1 1688 1 63 ASN H 1 64 ILE MG . . 5.500 5.599 5.560 5.611 0.111 5 0 "[ . 1 . 2]" 1 1689 1 63 ASN H 1 65 THR H . . 5.190 4.010 3.827 4.220 . 0 0 "[ . 1 . 2]" 1 1690 1 63 ASN H 1 66 ILE MD . . 5.500 5.102 4.904 5.433 . 0 0 "[ . 1 . 2]" 1 1691 1 63 ASN H 1 92 VAL QG . . 5.500 4.669 4.416 4.948 . 0 0 "[ . 1 . 2]" 1 1692 1 63 ASN HA 1 63 ASN HB3 . . 3.020 3.060 3.020 3.086 0.066 12 0 "[ . 1 . 2]" 1 1693 1 63 ASN HA 1 63 ASN HD21 . . 4.850 4.524 4.152 4.730 . 0 0 "[ . 1 . 2]" 1 1694 1 63 ASN HA 1 63 ASN HD22 . . 5.170 4.844 4.594 5.136 . 0 0 "[ . 1 . 2]" 1 1695 1 63 ASN HA 1 64 ILE HA . . 5.500 4.772 4.686 4.878 . 0 0 "[ . 1 . 2]" 1 1696 1 63 ASN HA 1 66 ILE H . . 5.090 3.724 3.461 4.129 . 0 0 "[ . 1 . 2]" 1 1697 1 63 ASN HA 1 66 ILE HB . . 4.170 2.821 2.642 3.294 . 0 0 "[ . 1 . 2]" 1 1698 1 63 ASN HA 1 66 ILE MD . . 4.710 3.910 3.601 4.570 . 0 0 "[ . 1 . 2]" 1 1699 1 63 ASN HA 1 66 ILE HG12 . . 5.500 5.588 5.572 5.605 0.105 5 0 "[ . 1 . 2]" 1 1700 1 63 ASN HA 1 66 ILE MG . . 5.390 4.049 3.542 4.742 . 0 0 "[ . 1 . 2]" 1 1701 1 63 ASN HB2 1 64 ILE H . . 4.470 3.818 3.603 3.939 . 0 0 "[ . 1 . 2]" 1 1702 1 63 ASN HB2 1 64 ILE HA . . 5.500 5.462 5.347 5.573 0.073 14 0 "[ . 1 . 2]" 1 1703 1 63 ASN HB2 1 64 ILE MD . . 5.140 5.236 5.092 5.261 0.121 2 0 "[ . 1 . 2]" 1 1704 1 63 ASN HB2 1 64 ILE QG . . 4.880 4.782 4.368 4.961 0.081 1 0 "[ . 1 . 2]" 1 1705 1 63 ASN HB2 1 67 LYS HB2 . . 5.500 5.551 5.360 5.601 0.101 17 0 "[ . 1 . 2]" 1 1706 1 63 ASN HB3 1 63 ASN HD21 . . 3.100 2.218 2.136 2.288 . 0 0 "[ . 1 . 2]" 1 1707 1 63 ASN HB3 1 64 ILE H . . 3.620 2.427 2.162 2.639 . 0 0 "[ . 1 . 2]" 1 1708 1 63 ASN HB3 1 64 ILE HA . . 5.010 4.400 4.051 4.814 . 0 0 "[ . 1 . 2]" 1 1709 1 63 ASN HB3 1 64 ILE HB . . 5.500 4.629 4.282 4.878 . 0 0 "[ . 1 . 2]" 1 1710 1 63 ASN HB3 1 64 ILE MD . . 5.260 4.145 3.888 4.443 . 0 0 "[ . 1 . 2]" 1 1711 1 63 ASN HB3 1 64 ILE QG . . 4.750 3.236 2.733 3.516 . 0 0 "[ . 1 . 2]" 1 1712 1 63 ASN HB3 1 65 THR H . . 5.500 5.122 4.917 5.275 . 0 0 "[ . 1 . 2]" 1 1713 1 63 ASN HD21 1 64 ILE HA . . 5.500 3.891 2.719 4.543 . 0 0 "[ . 1 . 2]" 1 1714 1 63 ASN HD21 1 64 ILE MD . . 4.890 2.778 2.354 3.247 . 0 0 "[ . 1 . 2]" 1 1715 1 63 ASN HD21 1 64 ILE QG . . 5.490 2.604 1.732 3.145 . 0 0 "[ . 1 . 2]" 1 1716 1 63 ASN HD21 1 64 ILE MG . . 5.450 5.026 4.078 5.517 0.067 15 0 "[ . 1 . 2]" 1 1717 1 63 ASN HD22 1 64 ILE MD . . 5.500 2.923 2.557 3.870 . 0 0 "[ . 1 . 2]" 1 1718 1 63 ASN HD22 1 64 ILE QG . . 5.500 3.761 3.186 4.423 . 0 0 "[ . 1 . 2]" 1 1719 1 63 ASN HD22 1 67 LYS QD . . 5.500 4.020 2.708 5.582 0.082 15 0 "[ . 1 . 2]" 1 1720 1 63 ASN HD22 1 67 LYS QE . . 4.990 3.673 2.222 5.036 0.046 12 0 "[ . 1 . 2]" 1 1721 1 64 ILE H 1 64 ILE HB . . 3.180 2.375 2.252 2.483 . 0 0 "[ . 1 . 2]" 1 1722 1 64 ILE H 1 64 ILE MD . . 4.190 3.463 3.287 3.730 . 0 0 "[ . 1 . 2]" 1 1723 1 64 ILE H 1 64 ILE QG . . 3.630 2.242 2.009 2.433 . 0 0 "[ . 1 . 2]" 1 1724 1 64 ILE H 1 64 ILE MG . . 3.720 3.731 3.666 3.789 0.069 18 0 "[ . 1 . 2]" 1 1725 1 64 ILE H 1 65 THR H . . 3.370 2.907 2.751 3.025 . 0 0 "[ . 1 . 2]" 1 1726 1 64 ILE H 1 65 THR HG1 . . 5.010 4.599 4.389 4.989 . 0 0 "[ . 1 . 2]" 1 1727 1 64 ILE HA 1 64 ILE MD . . 3.220 2.133 2.016 2.266 . 0 0 "[ . 1 . 2]" 1 1728 1 64 ILE HA 1 64 ILE QG . . 4.010 2.825 2.641 2.928 . 0 0 "[ . 1 . 2]" 1 1729 1 64 ILE HA 1 64 ILE MG . . 3.600 2.495 2.426 2.605 . 0 0 "[ . 1 . 2]" 1 1730 1 64 ILE HA 1 67 LYS H . . 4.050 3.231 3.050 3.409 . 0 0 "[ . 1 . 2]" 1 1731 1 64 ILE HA 1 67 LYS HA . . 5.200 5.064 4.904 5.252 0.052 17 0 "[ . 1 . 2]" 1 1732 1 64 ILE HA 1 67 LYS HB2 . . 3.660 3.205 2.935 3.643 . 0 0 "[ . 1 . 2]" 1 1733 1 64 ILE HA 1 67 LYS HB3 . . 3.590 2.465 2.257 2.691 . 0 0 "[ . 1 . 2]" 1 1734 1 64 ILE HA 1 67 LYS QD . . 4.510 4.024 3.535 4.578 0.068 15 0 "[ . 1 . 2]" 1 1735 1 64 ILE HA 1 67 LYS QE . . 4.470 3.256 2.416 4.105 . 0 0 "[ . 1 . 2]" 1 1736 1 64 ILE HA 1 67 LYS HG2 . . 5.370 5.154 4.888 5.358 . 0 0 "[ . 1 . 2]" 1 1737 1 64 ILE HA 1 67 LYS HG3 . . 5.500 5.045 4.371 5.483 . 0 0 "[ . 1 . 2]" 1 1738 1 64 ILE HA 1 68 GLN H . . 4.970 4.259 3.543 4.521 . 0 0 "[ . 1 . 2]" 1 1739 1 64 ILE HA 1 68 GLN HG2 . . 5.500 3.621 2.938 4.042 . 0 0 "[ . 1 . 2]" 1 1740 1 64 ILE HB 1 64 ILE MD . . 3.490 3.300 3.245 3.324 . 0 0 "[ . 1 . 2]" 1 1741 1 64 ILE HB 1 65 THR H . . 3.670 2.698 2.503 2.859 . 0 0 "[ . 1 . 2]" 1 1742 1 64 ILE HB 1 65 THR HA . . 5.340 4.600 4.350 4.763 . 0 0 "[ . 1 . 2]" 1 1743 1 64 ILE HB 1 65 THR HG1 . . 5.270 3.922 3.619 4.244 . 0 0 "[ . 1 . 2]" 1 1744 1 64 ILE HB 1 67 LYS HB3 . . 5.500 5.395 5.222 5.582 0.082 17 0 "[ . 1 . 2]" 1 1745 1 64 ILE MD 1 67 LYS H . . 5.230 4.829 4.623 5.050 . 0 0 "[ . 1 . 2]" 1 1746 1 64 ILE MD 1 67 LYS HB2 . . 4.470 4.051 3.596 4.477 0.007 8 0 "[ . 1 . 2]" 1 1747 1 64 ILE MD 1 67 LYS HB3 . . 4.360 3.310 2.982 3.608 . 0 0 "[ . 1 . 2]" 1 1748 1 64 ILE MD 1 67 LYS QD . . 4.350 3.489 2.727 4.462 0.112 15 0 "[ . 1 . 2]" 1 1749 1 64 ILE MD 1 67 LYS QE . . 4.230 2.618 1.960 3.289 . 0 0 "[ . 1 . 2]" 1 1750 1 64 ILE MD 1 67 LYS HG2 . . 5.500 5.179 4.819 5.585 0.085 18 0 "[ . 1 . 2]" 1 1751 1 64 ILE MD 1 67 LYS HG3 . . 5.500 5.054 4.374 5.589 0.089 18 0 "[ . 1 . 2]" 1 1752 1 64 ILE MD 1 68 GLN H . . 5.500 5.438 4.678 5.602 0.102 20 0 "[ . 1 . 2]" 1 1753 1 64 ILE MD 1 68 GLN HE21 . . 5.500 5.122 4.554 5.623 0.123 10 0 "[ . 1 . 2]" 1 1754 1 64 ILE MD 1 68 GLN HE22 . . 5.500 5.417 4.734 5.607 0.107 4 0 "[ . 1 . 2]" 1 1755 1 64 ILE MD 1 68 GLN HG2 . . 5.500 3.970 3.249 4.402 . 0 0 "[ . 1 . 2]" 1 1756 1 64 ILE QG 1 64 ILE MG . . 3.310 2.288 2.176 2.463 . 0 0 "[ . 1 . 2]" 1 1757 1 64 ILE QG 1 65 THR H . . 4.920 4.227 4.079 4.319 . 0 0 "[ . 1 . 2]" 1 1758 1 64 ILE QG 1 67 LYS QE . . 5.320 4.545 3.831 5.308 . 0 0 "[ . 1 . 2]" 1 1759 1 64 ILE QG 1 68 GLN HG2 . . 5.500 5.282 4.743 5.590 0.090 1 0 "[ . 1 . 2]" 1 1760 1 64 ILE MG 1 65 THR H . . 3.660 3.222 3.101 3.348 . 0 0 "[ . 1 . 2]" 1 1761 1 64 ILE MG 1 65 THR HA . . 4.200 3.333 3.192 3.529 . 0 0 "[ . 1 . 2]" 1 1762 1 64 ILE MG 1 65 THR HB . . 4.980 5.033 4.888 5.085 0.105 15 0 "[ . 1 . 2]" 1 1763 1 64 ILE MG 1 65 THR HG1 . . 4.440 4.193 3.907 4.477 0.037 9 0 "[ . 1 . 2]" 1 1764 1 64 ILE MG 1 65 THR MG . . 5.500 4.739 4.588 4.959 . 0 0 "[ . 1 . 2]" 1 1765 1 64 ILE MG 1 66 ILE H . . 5.500 5.065 4.945 5.207 . 0 0 "[ . 1 . 2]" 1 1766 1 64 ILE MG 1 67 LYS H . . 5.500 4.289 4.146 4.658 . 0 0 "[ . 1 . 2]" 1 1767 1 64 ILE MG 1 68 GLN H . . 5.330 4.186 3.723 4.544 . 0 0 "[ . 1 . 2]" 1 1768 1 64 ILE MG 1 68 GLN QB . . 5.500 3.462 3.015 4.076 . 0 0 "[ . 1 . 2]" 1 1769 1 64 ILE MG 1 68 GLN HG2 . . 4.560 2.592 2.151 2.863 . 0 0 "[ . 1 . 2]" 1 1770 1 64 ILE MG 1 68 GLN HG3 . . 5.100 2.751 2.182 3.376 . 0 0 "[ . 1 . 2]" 1 1771 1 65 THR H 1 65 THR HB . . 3.410 2.503 2.348 2.614 . 0 0 "[ . 1 . 2]" 1 1772 1 65 THR H 1 65 THR HG1 . . 3.420 2.139 2.014 2.402 . 0 0 "[ . 1 . 2]" 1 1773 1 65 THR H 1 65 THR MG . . 4.220 3.724 3.671 3.784 . 0 0 "[ . 1 . 2]" 1 1774 1 65 THR H 1 66 ILE H . . 3.670 2.824 2.696 2.983 . 0 0 "[ . 1 . 2]" 1 1775 1 65 THR H 1 66 ILE HB . . 5.220 4.911 4.483 5.200 . 0 0 "[ . 1 . 2]" 1 1776 1 65 THR H 1 66 ILE HG13 . . 5.500 4.495 4.208 4.798 . 0 0 "[ . 1 . 2]" 1 1777 1 65 THR H 1 92 VAL QG . . 4.790 3.725 3.549 4.124 . 0 0 "[ . 1 . 2]" 1 1778 1 65 THR HA 1 65 THR MG . . 3.460 2.419 2.350 2.546 . 0 0 "[ . 1 . 2]" 1 1779 1 65 THR HA 1 68 GLN H . . 4.820 3.301 3.106 3.524 . 0 0 "[ . 1 . 2]" 1 1780 1 65 THR HA 1 68 GLN QB . . 4.910 2.862 2.463 3.591 . 0 0 "[ . 1 . 2]" 1 1781 1 65 THR HA 1 92 VAL QG . . 5.500 4.277 4.154 4.555 . 0 0 "[ . 1 . 2]" 1 1782 1 65 THR HB 1 66 ILE H . . 3.830 2.618 2.384 2.949 . 0 0 "[ . 1 . 2]" 1 1783 1 65 THR HB 1 66 ILE HB . . 5.500 4.742 4.409 5.079 . 0 0 "[ . 1 . 2]" 1 1784 1 65 THR HB 1 66 ILE MD . . 5.330 4.406 4.165 4.670 . 0 0 "[ . 1 . 2]" 1 1785 1 65 THR HB 1 66 ILE HG13 . . 5.500 3.114 2.854 3.513 . 0 0 "[ . 1 . 2]" 1 1786 1 65 THR HB 1 92 VAL HB . . 5.500 4.227 3.006 4.559 . 0 0 "[ . 1 . 2]" 1 1787 1 65 THR HB 1 92 VAL QG . . 3.550 2.057 1.967 2.480 . 0 0 "[ . 1 . 2]" 1 1788 1 65 THR HG1 1 66 ILE H . . 4.640 4.081 3.882 4.429 . 0 0 "[ . 1 . 2]" 1 1789 1 65 THR HG1 1 92 VAL QG . . 4.460 2.735 2.528 3.491 . 0 0 "[ . 1 . 2]" 1 1790 1 65 THR MG 1 66 ILE H . . 4.590 3.561 3.228 3.765 . 0 0 "[ . 1 . 2]" 1 1791 1 65 THR MG 1 66 ILE HA . . 4.660 3.920 3.640 4.212 . 0 0 "[ . 1 . 2]" 1 1792 1 65 THR MG 1 66 ILE MD . . 4.700 4.518 4.228 4.814 0.114 7 0 "[ . 1 . 2]" 1 1793 1 65 THR MG 1 66 ILE HG13 . . 4.700 3.655 3.350 4.102 . 0 0 "[ . 1 . 2]" 1 1794 1 65 THR MG 1 69 HIS H . . 5.500 4.095 3.907 4.462 . 0 0 "[ . 1 . 2]" 1 1795 1 65 THR MG 1 69 HIS HA . . 5.500 5.370 4.969 5.588 0.088 8 0 "[ . 1 . 2]" 1 1796 1 65 THR MG 1 69 HIS QB . . 4.980 2.863 2.423 3.088 . 0 0 "[ . 1 . 2]" 1 1797 1 65 THR MG 1 69 HIS HD2 . . 4.870 4.660 3.994 4.975 0.105 13 0 "[ . 1 . 2]" 1 1798 1 65 THR MG 1 92 VAL H . . 5.500 5.142 4.811 5.451 . 0 0 "[ . 1 . 2]" 1 1799 1 65 THR MG 1 92 VAL QG . . 3.310 1.998 1.860 2.377 . 0 0 "[ . 1 . 2]" 1 1800 1 66 ILE H 1 66 ILE HB . . 3.260 2.381 2.210 2.630 . 0 0 "[ . 1 . 2]" 1 1801 1 66 ILE H 1 66 ILE MD . . 4.070 3.623 3.462 3.785 . 0 0 "[ . 1 . 2]" 1 1802 1 66 ILE H 1 66 ILE HG12 . . 3.770 3.287 2.717 3.538 . 0 0 "[ . 1 . 2]" 1 1803 1 66 ILE H 1 66 ILE HG13 . . 3.700 2.185 2.040 2.336 . 0 0 "[ . 1 . 2]" 1 1804 1 66 ILE H 1 66 ILE MG . . 3.850 3.734 3.651 3.783 . 0 0 "[ . 1 . 2]" 1 1805 1 66 ILE H 1 67 LYS H . . 3.550 2.721 2.498 2.865 . 0 0 "[ . 1 . 2]" 1 1806 1 66 ILE H 1 68 GLN H . . 5.290 4.152 3.959 4.379 . 0 0 "[ . 1 . 2]" 1 1807 1 66 ILE H 1 92 VAL QG . . 4.460 3.537 3.303 3.799 . 0 0 "[ . 1 . 2]" 1 1808 1 66 ILE HA 1 66 ILE MD . . 3.970 3.763 3.575 3.862 . 0 0 "[ . 1 . 2]" 1 1809 1 66 ILE HA 1 66 ILE HG12 . . 3.600 2.363 2.218 2.536 . 0 0 "[ . 1 . 2]" 1 1810 1 66 ILE HA 1 66 ILE HG13 . . 4.040 3.023 2.690 3.451 . 0 0 "[ . 1 . 2]" 1 1811 1 66 ILE HA 1 66 ILE MG . . 3.380 2.457 2.238 2.598 . 0 0 "[ . 1 . 2]" 1 1812 1 66 ILE HA 1 69 HIS H . . 4.440 3.485 3.162 3.778 . 0 0 "[ . 1 . 2]" 1 1813 1 66 ILE HA 1 69 HIS QB . . 4.000 3.643 2.887 4.008 0.008 10 0 "[ . 1 . 2]" 1 1814 1 66 ILE HA 1 69 HIS HD2 . . 4.840 4.320 3.806 4.775 . 0 0 "[ . 1 . 2]" 1 1815 1 66 ILE HA 1 70 THR H . . 5.350 3.396 2.881 3.958 . 0 0 "[ . 1 . 2]" 1 1816 1 66 ILE HA 1 88 MET ME . . 4.240 4.184 3.897 4.321 0.081 2 0 "[ . 1 . 2]" 1 1817 1 66 ILE HB 1 66 ILE MD . . 3.360 2.583 2.441 2.756 . 0 0 "[ . 1 . 2]" 1 1818 1 66 ILE HB 1 67 LYS H . . 3.740 3.565 2.868 3.795 0.055 3 0 "[ . 1 . 2]" 1 1819 1 66 ILE HB 1 67 LYS HA . . 5.090 4.970 4.444 5.165 0.075 19 0 "[ . 1 . 2]" 1 1820 1 66 ILE HB 1 70 THR HB . . 5.500 4.707 4.521 5.115 . 0 0 "[ . 1 . 2]" 1 1821 1 66 ILE MD 1 66 ILE MG . . 2.750 2.065 1.983 2.177 . 0 0 "[ . 1 . 2]" 1 1822 1 66 ILE MD 1 67 LYS H . . 5.340 5.381 4.955 5.455 0.115 2 0 "[ . 1 . 2]" 1 1823 1 66 ILE MD 1 70 THR MG . . 4.360 4.466 4.364 4.501 0.141 11 0 "[ . 1 . 2]" 1 1824 1 66 ILE MD 1 88 MET HA . . 5.500 4.826 4.322 5.095 . 0 0 "[ . 1 . 2]" 1 1825 1 66 ILE MD 1 88 MET HB3 . . 4.800 3.167 2.693 3.486 . 0 0 "[ . 1 . 2]" 1 1826 1 66 ILE MD 1 88 MET ME . . 3.770 3.838 3.589 3.918 0.148 6 0 "[ . 1 . 2]" 1 1827 1 66 ILE MD 1 89 GLU H . . 4.240 3.575 3.213 3.942 . 0 0 "[ . 1 . 2]" 1 1828 1 66 ILE MD 1 89 GLU HA . . 3.090 2.609 2.148 3.009 . 0 0 "[ . 1 . 2]" 1 1829 1 66 ILE MD 1 89 GLU HB2 . . 4.820 4.359 3.797 4.599 . 0 0 "[ . 1 . 2]" 1 1830 1 66 ILE MD 1 89 GLU HB3 . . 4.830 4.269 3.871 4.574 . 0 0 "[ . 1 . 2]" 1 1831 1 66 ILE MD 1 89 GLU HG2 . . 4.030 2.373 2.050 2.873 . 0 0 "[ . 1 . 2]" 1 1832 1 66 ILE MD 1 89 GLU HG3 . . 3.370 3.113 2.508 3.462 0.092 8 0 "[ . 1 . 2]" 1 1833 1 66 ILE MD 1 90 ARG H . . 5.440 5.200 4.687 5.511 0.071 2 0 "[ . 1 . 2]" 1 1834 1 66 ILE MD 1 91 VAL QG . . 5.030 4.812 4.361 5.003 . 0 0 "[ . 1 . 2]" 1 1835 1 66 ILE MD 1 92 VAL H . . 4.870 4.771 4.071 4.989 0.119 11 0 "[ . 1 . 2]" 1 1836 1 66 ILE MD 1 92 VAL HB . . 4.460 3.607 2.765 4.561 0.101 19 0 "[ . 1 . 2]" 1 1837 1 66 ILE MD 1 92 VAL QG . . 3.680 2.952 2.142 3.326 . 0 0 "[ . 1 . 2]" 1 1838 1 66 ILE MD 1 93 GLU H . . 5.390 5.080 4.318 5.483 0.093 13 0 "[ . 1 . 2]" 1 1839 1 66 ILE HG12 1 67 LYS H . . 5.240 5.111 4.706 5.308 0.068 10 0 "[ . 1 . 2]" 1 1840 1 66 ILE HG12 1 92 VAL HB . . 5.330 4.965 4.338 5.411 0.081 12 0 "[ . 1 . 2]" 1 1841 1 66 ILE HG12 1 92 VAL QG . . 4.580 3.331 2.467 3.875 . 0 0 "[ . 1 . 2]" 1 1842 1 66 ILE HG13 1 66 ILE MG . . 3.720 3.245 3.202 3.286 . 0 0 "[ . 1 . 2]" 1 1843 1 66 ILE HG13 1 92 VAL QG . . 3.880 2.765 2.345 3.091 . 0 0 "[ . 1 . 2]" 1 1844 1 66 ILE MG 1 67 LYS H . . 4.090 4.057 3.463 4.203 0.113 8 0 "[ . 1 . 2]" 1 1845 1 66 ILE MG 1 67 LYS HA . . 4.420 4.044 3.411 4.374 . 0 0 "[ . 1 . 2]" 1 1846 1 66 ILE MG 1 67 LYS HB2 . . 5.470 4.533 3.912 5.038 . 0 0 "[ . 1 . 2]" 1 1847 1 66 ILE MG 1 68 GLN H . . 5.500 5.203 4.769 5.588 0.088 3 0 "[ . 1 . 2]" 1 1848 1 66 ILE MG 1 69 HIS QB . . 5.500 5.232 4.507 5.598 0.098 2 0 "[ . 1 . 2]" 1 1849 1 66 ILE MG 1 70 THR H . . 5.500 4.431 3.767 4.950 . 0 0 "[ . 1 . 2]" 1 1850 1 66 ILE MG 1 70 THR MG . . 3.530 2.397 2.248 2.813 . 0 0 "[ . 1 . 2]" 1 1851 1 66 ILE MG 1 88 MET ME . . 3.950 3.517 2.676 4.038 0.088 11 0 "[ . 1 . 2]" 1 1852 1 66 ILE MG 1 89 GLU HG2 . . 5.500 4.351 3.768 4.874 . 0 0 "[ . 1 . 2]" 1 1853 1 67 LYS H 1 67 LYS HB2 . . 3.280 2.688 2.291 2.951 . 0 0 "[ . 1 . 2]" 1 1854 1 67 LYS H 1 67 LYS HB3 . . 3.530 2.742 2.611 2.992 . 0 0 "[ . 1 . 2]" 1 1855 1 67 LYS H 1 67 LYS QD . . 4.780 4.823 4.668 4.893 0.113 18 0 "[ . 1 . 2]" 1 1856 1 67 LYS H 1 67 LYS QE . . 5.060 4.560 3.914 5.149 0.089 16 0 "[ . 1 . 2]" 1 1857 1 67 LYS H 1 67 LYS HG2 . . 4.540 4.544 4.412 4.620 0.080 7 0 "[ . 1 . 2]" 1 1858 1 67 LYS H 1 68 GLN H . . 3.510 2.179 1.979 2.862 . 0 0 "[ . 1 . 2]" 1 1859 1 67 LYS H 1 68 GLN QB . . 5.500 4.203 3.964 5.270 . 0 0 "[ . 1 . 2]" 1 1860 1 67 LYS HA 1 67 LYS QD . . 4.340 3.971 3.241 4.204 . 0 0 "[ . 1 . 2]" 1 1861 1 67 LYS HA 1 67 LYS QE . . 5.250 4.180 3.723 4.458 . 0 0 "[ . 1 . 2]" 1 1862 1 67 LYS HA 1 67 LYS HG2 . . 3.750 2.539 2.109 2.912 . 0 0 "[ . 1 . 2]" 1 1863 1 67 LYS HA 1 67 LYS HG3 . . 3.820 2.766 2.203 3.394 . 0 0 "[ . 1 . 2]" 1 1864 1 67 LYS HA 1 70 THR H . . 4.460 3.904 3.660 4.097 . 0 0 "[ . 1 . 2]" 1 1865 1 67 LYS HA 1 70 THR HB . . 3.860 3.905 3.628 3.953 0.093 7 0 "[ . 1 . 2]" 1 1866 1 67 LYS HA 1 70 THR MG . . 5.010 4.642 3.799 4.946 . 0 0 "[ . 1 . 2]" 1 1867 1 67 LYS HB2 1 67 LYS QE . . 4.810 3.003 1.932 3.627 . 0 0 "[ . 1 . 2]" 1 1868 1 67 LYS HB2 1 68 GLN H . . 4.420 4.144 3.781 4.359 . 0 0 "[ . 1 . 2]" 1 1869 1 67 LYS HB2 1 71 VAL HB . . 4.130 4.184 4.055 4.222 0.092 11 0 "[ . 1 . 2]" 1 1870 1 67 LYS HB3 1 67 LYS QE . . 3.710 2.309 1.978 2.864 . 0 0 "[ . 1 . 2]" 1 1871 1 67 LYS QD 1 67 LYS HG2 . . 2.760 2.292 2.140 2.521 . 0 0 "[ . 1 . 2]" 1 1872 1 67 LYS QE 1 67 LYS HG2 . . 3.260 2.719 2.018 3.322 0.062 3 0 "[ . 1 . 2]" 1 1873 1 67 LYS QE 1 68 GLN H . . 5.290 5.038 4.339 5.380 0.090 5 0 "[ . 1 . 2]" 1 1874 1 67 LYS QE 1 71 VAL MG1 . . 5.010 4.083 3.282 4.742 . 0 0 "[ . 1 . 2]" 1 1875 1 67 LYS QE 1 71 VAL MG2 . . 4.390 4.390 3.608 4.526 0.136 17 0 "[ . 1 . 2]" 1 1876 1 67 LYS HG2 1 68 GLN H . . 4.930 4.695 3.932 5.003 0.073 15 0 "[ . 1 . 2]" 1 1877 1 67 LYS HG2 1 68 GLN QE . . 5.500 3.606 2.527 4.528 . 0 0 "[ . 1 . 2]" 1 1878 1 67 LYS HG2 1 71 VAL MG1 . . 3.930 2.586 2.333 3.046 . 0 0 "[ . 1 . 2]" 1 1879 1 67 LYS HG2 1 71 VAL MG2 . . 3.670 2.885 2.087 3.755 0.085 13 0 "[ . 1 . 2]" 1 1880 1 67 LYS HG3 1 71 VAL MG1 . . 4.070 3.084 2.571 3.886 . 0 0 "[ . 1 . 2]" 1 1881 1 67 LYS HG3 1 71 VAL MG2 . . 3.840 2.513 2.088 3.343 . 0 0 "[ . 1 . 2]" 1 1882 1 68 GLN H 1 68 GLN QB . . 3.710 2.506 2.285 2.778 . 0 0 "[ . 1 . 2]" 1 1883 1 68 GLN H 1 68 GLN HE21 . . 5.160 4.075 3.568 4.847 . 0 0 "[ . 1 . 2]" 1 1884 1 68 GLN H 1 68 GLN HG2 . . 3.820 2.855 2.175 3.186 . 0 0 "[ . 1 . 2]" 1 1885 1 68 GLN H 1 68 GLN HG3 . . 4.250 4.062 3.508 4.284 0.034 4 0 "[ . 1 . 2]" 1 1886 1 68 GLN H 1 69 HIS H . . 3.730 2.217 1.922 2.763 . 0 0 "[ . 1 . 2]" 1 1887 1 68 GLN H 1 69 HIS HA . . 5.500 4.926 4.652 5.354 . 0 0 "[ . 1 . 2]" 1 1888 1 68 GLN H 1 69 HIS HB3 . . 5.290 4.308 4.031 4.846 . 0 0 "[ . 1 . 2]" 1 1889 1 68 GLN H 1 71 VAL H . . 5.000 3.921 3.619 4.565 . 0 0 "[ . 1 . 2]" 1 1890 1 68 GLN H 1 71 VAL MG2 . . 5.500 4.981 4.734 5.383 . 0 0 "[ . 1 . 2]" 1 1891 1 68 GLN H 1 72 THR H . . 5.270 4.596 4.383 4.841 . 0 0 "[ . 1 . 2]" 1 1892 1 68 GLN HA 1 68 GLN HE21 . . 5.240 2.488 1.861 3.114 . 0 0 "[ . 1 . 2]" 1 1893 1 68 GLN HA 1 68 GLN QE . . 4.630 2.425 1.851 2.951 . 0 0 "[ . 1 . 2]" 1 1894 1 68 GLN HA 1 68 GLN HE22 . . 5.260 3.442 3.170 3.659 . 0 0 "[ . 1 . 2]" 1 1895 1 68 GLN HA 1 68 GLN HG2 . . 3.590 3.211 2.980 3.647 0.057 13 0 "[ . 1 . 2]" 1 1896 1 68 GLN HA 1 69 HIS HA . . 5.340 4.483 4.379 4.570 . 0 0 "[ . 1 . 2]" 1 1897 1 68 GLN HA 1 70 THR H . . 5.370 4.182 3.842 4.430 . 0 0 "[ . 1 . 2]" 1 1898 1 68 GLN HA 1 71 VAL H . . 4.220 4.292 4.256 4.313 0.093 6 0 "[ . 1 . 2]" 1 1899 1 68 GLN HA 1 72 THR HB . . 4.360 2.291 1.967 2.516 . 0 0 "[ . 1 . 2]" 1 1900 1 68 GLN HA 1 72 THR MG . . 4.050 3.126 2.510 3.345 . 0 0 "[ . 1 . 2]" 1 1901 1 68 GLN QB 1 69 HIS H . . 4.320 3.110 2.784 3.440 . 0 0 "[ . 1 . 2]" 1 1902 1 68 GLN QB 1 69 HIS HA . . 5.320 4.288 4.137 4.499 . 0 0 "[ . 1 . 2]" 1 1903 1 68 GLN QB 1 70 THR H . . 5.500 4.708 4.589 5.124 . 0 0 "[ . 1 . 2]" 1 1904 1 68 GLN QB 1 72 THR MG . . 3.880 3.632 2.668 3.859 . 0 0 "[ . 1 . 2]" 1 1905 1 68 GLN QE 1 71 VAL HB . . 5.500 4.394 3.988 5.224 . 0 0 "[ . 1 . 2]" 1 1906 1 68 GLN QE 1 72 THR MG . . 4.490 3.787 3.053 4.488 . 0 0 "[ . 1 . 2]" 1 1907 1 68 GLN HE21 1 71 VAL HB . . 5.500 4.745 4.121 6.320 0.820 16 2 "[ .- 1 .+ 2]" 1 1908 1 68 GLN HE21 1 72 THR H . . 5.500 4.809 4.074 5.557 0.057 11 0 "[ . 1 . 2]" 1 1909 1 68 GLN HE21 1 72 THR MG . . 5.500 4.259 3.239 5.066 . 0 0 "[ . 1 . 2]" 1 1910 1 68 GLN HE22 1 71 VAL MG1 . . 5.500 5.056 4.590 5.458 . 0 0 "[ . 1 . 2]" 1 1911 1 68 GLN HE22 1 72 THR MG . . 5.500 4.397 3.732 5.019 . 0 0 "[ . 1 . 2]" 1 1912 1 68 GLN HG2 1 69 HIS H . . 5.500 4.671 4.282 4.874 . 0 0 "[ . 1 . 2]" 1 1913 1 68 GLN HG2 1 72 THR HB . . 5.500 5.488 4.967 5.596 0.096 6 0 "[ . 1 . 2]" 1 1914 1 68 GLN HG3 1 69 HIS H . . 5.500 5.437 5.120 5.579 0.079 3 0 "[ . 1 . 2]" 1 1915 1 69 HIS H 1 69 HIS QB . . 3.730 2.314 2.238 2.395 . 0 0 "[ . 1 . 2]" 1 1916 1 69 HIS H 1 69 HIS HB3 . . 3.330 2.399 2.311 2.487 . 0 0 "[ . 1 . 2]" 1 1917 1 69 HIS H 1 69 HIS HD2 . . 4.400 4.399 4.199 4.481 0.081 3 0 "[ . 1 . 2]" 1 1918 1 69 HIS H 1 70 THR H . . 3.600 2.051 1.905 2.251 . 0 0 "[ . 1 . 2]" 1 1919 1 69 HIS H 1 70 THR HB . . 4.870 4.034 3.670 4.374 . 0 0 "[ . 1 . 2]" 1 1920 1 69 HIS H 1 70 THR MG . . 5.500 5.287 5.091 5.492 . 0 0 "[ . 1 . 2]" 1 1921 1 69 HIS H 1 71 VAL MG2 . . 5.500 5.410 5.043 5.591 0.091 16 0 "[ . 1 . 2]" 1 1922 1 69 HIS HA 1 69 HIS HD2 . . 4.390 4.087 3.892 4.183 . 0 0 "[ . 1 . 2]" 1 1923 1 69 HIS HA 1 70 THR HA . . 5.500 4.517 4.403 4.601 . 0 0 "[ . 1 . 2]" 1 1924 1 69 HIS HA 1 71 VAL H . . 4.940 5.029 5.019 5.040 0.100 8 0 "[ . 1 . 2]" 1 1925 1 69 HIS HA 1 72 THR H . . 4.750 4.508 3.989 4.813 0.063 6 0 "[ . 1 . 2]" 1 1926 1 69 HIS HA 1 72 THR HB . . 4.050 3.775 3.218 4.108 0.058 7 0 "[ . 1 . 2]" 1 1927 1 69 HIS HA 1 72 THR MG . . 5.190 3.885 3.327 4.283 . 0 0 "[ . 1 . 2]" 1 1928 1 69 HIS HA 1 73 THR H . . 5.500 5.132 4.581 5.555 0.055 14 0 "[ . 1 . 2]" 1 1929 1 69 HIS QB 1 70 THR H . . 4.450 3.313 3.106 3.566 . 0 0 "[ . 1 . 2]" 1 1930 1 69 HIS QB 1 70 THR HA . . 5.500 4.791 4.628 4.936 . 0 0 "[ . 1 . 2]" 1 1931 1 69 HIS HB2 1 69 HIS HE1 . . 5.110 4.874 4.830 4.937 . 0 0 "[ . 1 . 2]" 1 1932 1 69 HIS HB3 1 69 HIS HD2 . . 3.300 2.763 2.643 2.925 . 0 0 "[ . 1 . 2]" 1 1933 1 69 HIS HB3 1 69 HIS HE1 . . 5.260 5.248 5.149 5.312 0.052 12 0 "[ . 1 . 2]" 1 1934 1 69 HIS HB3 1 70 THR H . . 4.040 3.433 3.187 3.746 . 0 0 "[ . 1 . 2]" 1 1935 1 69 HIS HB3 1 71 VAL H . . 5.500 5.445 5.265 5.567 0.067 17 0 "[ . 1 . 2]" 1 1936 1 69 HIS HD2 1 70 THR H . . 4.580 4.067 3.537 4.570 . 0 0 "[ . 1 . 2]" 1 1937 1 69 HIS HD2 1 73 THR HB . . 4.840 4.914 4.889 4.931 0.091 5 0 "[ . 1 . 2]" 1 1938 1 69 HIS HD2 1 88 MET ME . . 3.370 2.468 2.084 2.934 . 0 0 "[ . 1 . 2]" 1 1939 1 69 HIS HE1 1 88 MET ME . . 5.120 5.214 5.186 5.238 0.118 20 0 "[ . 1 . 2]" 1 1940 1 70 THR H 1 70 THR HB . . 3.570 2.496 2.285 2.644 . 0 0 "[ . 1 . 2]" 1 1941 1 70 THR H 1 70 THR MG . . 4.320 3.813 3.650 3.894 . 0 0 "[ . 1 . 2]" 1 1942 1 70 THR H 1 71 VAL H . . 3.580 2.077 1.967 2.254 . 0 0 "[ . 1 . 2]" 1 1943 1 70 THR H 1 71 VAL HA . . 4.700 4.748 4.649 4.787 0.087 2 0 "[ . 1 . 2]" 1 1944 1 70 THR H 1 71 VAL MG2 . . 5.380 4.217 3.964 4.454 . 0 0 "[ . 1 . 2]" 1 1945 1 70 THR H 1 72 THR H . . 3.830 3.225 2.768 3.667 . 0 0 "[ . 1 . 2]" 1 1946 1 70 THR H 1 72 THR HB . . 4.370 3.968 3.234 4.419 0.049 19 0 "[ . 1 . 2]" 1 1947 1 70 THR HA 1 70 THR MG . . 3.610 2.536 2.424 2.850 . 0 0 "[ . 1 . 2]" 1 1948 1 70 THR HA 1 71 VAL MG2 . . 5.270 4.909 4.696 5.091 . 0 0 "[ . 1 . 2]" 1 1949 1 70 THR HA 1 72 THR H . . 5.040 4.571 4.096 5.067 0.027 16 0 "[ . 1 . 2]" 1 1950 1 70 THR HA 1 74 THR H . . 3.190 2.968 2.439 3.260 0.070 2 0 "[ . 1 . 2]" 1 1951 1 70 THR HA 1 80 PHE QD . . 3.670 2.809 2.403 3.128 . 0 0 "[ . 1 . 2]" 1 1952 1 70 THR HA 1 80 PHE QE . . 4.610 2.978 2.470 3.340 . 0 0 "[ . 1 . 2]" 1 1953 1 70 THR HA 1 88 MET ME . . 5.500 3.949 3.423 4.233 . 0 0 "[ . 1 . 2]" 1 1954 1 70 THR HB 1 71 VAL H . . 3.630 2.633 2.354 2.903 . 0 0 "[ . 1 . 2]" 1 1955 1 70 THR HB 1 71 VAL MG2 . . 4.840 3.303 2.664 3.822 . 0 0 "[ . 1 . 2]" 1 1956 1 70 THR HB 1 80 PHE QD . . 5.500 4.979 4.493 5.579 0.079 11 0 "[ . 1 . 2]" 1 1957 1 70 THR MG 1 71 VAL H . . 4.350 3.440 2.951 3.600 . 0 0 "[ . 1 . 2]" 1 1958 1 70 THR MG 1 71 VAL HA . . 4.490 3.617 3.333 3.920 . 0 0 "[ . 1 . 2]" 1 1959 1 70 THR MG 1 71 VAL HB . . 4.800 4.829 4.187 4.906 0.106 11 0 "[ . 1 . 2]" 1 1960 1 70 THR MG 1 71 VAL MG2 . . 3.140 3.009 2.316 3.268 0.128 16 0 "[ . 1 . 2]" 1 1961 1 70 THR MG 1 85 VAL MG2 . . 4.100 2.682 2.264 3.240 . 0 0 "[ . 1 . 2]" 1 1962 1 71 VAL H 1 71 VAL HB . . 3.200 2.387 2.189 2.514 . 0 0 "[ . 1 . 2]" 1 1963 1 71 VAL H 1 71 VAL MG1 . . 3.770 3.793 3.665 3.860 0.090 9 0 "[ . 1 . 2]" 1 1964 1 71 VAL H 1 71 VAL MG2 . . 2.930 2.587 2.410 2.763 . 0 0 "[ . 1 . 2]" 1 1965 1 71 VAL H 1 72 THR H . . 3.100 2.462 2.246 2.698 . 0 0 "[ . 1 . 2]" 1 1966 1 71 VAL HA 1 71 VAL MG1 . . 3.000 2.579 2.474 2.859 . 0 0 "[ . 1 . 2]" 1 1967 1 71 VAL HA 1 71 VAL MG2 . . 2.840 2.351 2.198 2.431 . 0 0 "[ . 1 . 2]" 1 1968 1 71 VAL HA 1 72 THR H . . 3.490 3.499 3.336 3.558 0.068 20 0 "[ . 1 . 2]" 1 1969 1 71 VAL HA 1 72 THR HA . . 4.600 4.669 4.578 4.691 0.091 10 0 "[ . 1 . 2]" 1 1970 1 71 VAL HA 1 73 THR H . . 4.800 3.541 3.340 3.769 . 0 0 "[ . 1 . 2]" 1 1971 1 71 VAL HA 1 74 THR H . . 4.660 3.955 3.673 4.336 . 0 0 "[ . 1 . 2]" 1 1972 1 71 VAL HA 1 74 THR HB . . 3.970 3.779 3.117 4.041 0.071 14 0 "[ . 1 . 2]" 1 1973 1 71 VAL HB 1 72 THR H . . 3.420 3.020 2.508 3.398 . 0 0 "[ . 1 . 2]" 1 1974 1 71 VAL HB 1 72 THR HA . . 4.910 4.791 4.612 4.990 0.080 11 0 "[ . 1 . 2]" 1 1975 1 71 VAL HB 1 72 THR HB . . 5.360 4.556 4.197 4.893 . 0 0 "[ . 1 . 2]" 1 1976 1 71 VAL HB 1 73 THR H . . 5.160 5.121 4.947 5.237 0.077 14 0 "[ . 1 . 2]" 1 1977 1 71 VAL MG1 1 72 THR H . . 4.040 3.537 2.730 3.906 . 0 0 "[ . 1 . 2]" 1 1978 1 71 VAL MG1 1 72 THR HA . . 3.810 3.718 3.237 3.908 0.098 5 0 "[ . 1 . 2]" 1 1979 1 71 VAL MG1 1 74 THR HB . . 5.500 5.435 4.901 5.603 0.103 11 0 "[ . 1 . 2]" 1 1980 1 71 VAL MG2 1 74 THR HB . . 5.410 4.921 4.343 5.216 . 0 0 "[ . 1 . 2]" 1 1981 1 72 THR H 1 72 THR HB . . 3.120 1.989 1.910 2.108 . 0 0 "[ . 1 . 2]" 1 1982 1 72 THR H 1 72 THR MG . . 3.400 3.495 3.413 3.515 0.115 11 0 "[ . 1 . 2]" 1 1983 1 72 THR HA 1 76 LYS QE . . 4.990 3.924 3.105 4.856 . 0 0 "[ . 1 . 2]" 1 1984 1 72 THR HB 1 76 LYS QE . . 5.500 5.035 4.638 5.585 0.085 13 0 "[ . 1 . 2]" 1 1985 1 72 THR MG 1 73 THR HB . . 4.810 4.748 4.285 4.921 0.111 16 0 "[ . 1 . 2]" 1 1986 1 72 THR MG 1 76 LYS QE . . 4.260 2.735 2.279 3.297 . 0 0 "[ . 1 . 2]" 1 1987 1 73 THR H 1 73 THR HA . . 2.940 2.957 2.938 2.982 0.042 12 0 "[ . 1 . 2]" 1 1988 1 73 THR H 1 73 THR HB . . 3.520 2.805 2.595 2.941 . 0 0 "[ . 1 . 2]" 1 1989 1 73 THR H 1 74 THR H . . 3.060 2.163 1.967 2.295 . 0 0 "[ . 1 . 2]" 1 1990 1 73 THR H 1 74 THR HB . . 4.680 4.213 3.881 4.482 . 0 0 "[ . 1 . 2]" 1 1991 1 73 THR H 1 76 LYS H . . 3.860 3.938 3.910 3.952 0.092 2 0 "[ . 1 . 2]" 1 1992 1 73 THR HA 1 73 THR MG . . 3.350 2.356 2.259 2.530 . 0 0 "[ . 1 . 2]" 1 1993 1 73 THR HA 1 76 LYS H . . 3.140 3.005 2.649 3.215 0.075 19 0 "[ . 1 . 2]" 1 1994 1 73 THR HA 1 76 LYS HB2 . . 4.100 2.446 2.220 2.683 . 0 0 "[ . 1 . 2]" 1 1995 1 73 THR HA 1 76 LYS HB3 . . 4.210 4.089 3.911 4.270 0.060 3 0 "[ . 1 . 2]" 1 1996 1 73 THR HA 1 76 LYS QD . . 4.270 3.105 2.645 3.934 . 0 0 "[ . 1 . 2]" 1 1997 1 73 THR HA 1 76 LYS HG2 . . 4.500 4.331 3.816 4.566 0.066 8 0 "[ . 1 . 2]" 1 1998 1 73 THR HA 1 76 LYS HG3 . . 4.560 2.765 2.160 3.146 . 0 0 "[ . 1 . 2]" 1 1999 1 73 THR HA 1 77 GLY H . . 4.090 3.789 3.485 4.152 0.062 14 0 "[ . 1 . 2]" 1 2000 1 73 THR HA 1 78 GLU H . . 4.620 4.521 4.212 4.695 0.075 19 0 "[ . 1 . 2]" 1 2001 1 73 THR HA 1 78 GLU QB . . 4.120 4.082 3.874 4.203 0.083 16 0 "[ . 1 . 2]" 1 2002 1 73 THR HB 1 74 THR H . . 3.830 2.624 2.413 2.980 . 0 0 "[ . 1 . 2]" 1 2003 1 73 THR HB 1 76 LYS H . . 5.500 5.051 4.942 5.221 . 0 0 "[ . 1 . 2]" 1 2004 1 73 THR HB 1 78 GLU H . . 5.400 5.350 4.982 5.475 0.075 15 0 "[ . 1 . 2]" 1 2005 1 73 THR HB 1 78 GLU QB . . 3.640 3.458 3.021 3.735 0.095 2 0 "[ . 1 . 2]" 1 2006 1 73 THR HB 1 80 PHE QD . . 5.500 3.976 3.432 4.768 . 0 0 "[ . 1 . 2]" 1 2007 1 73 THR HB 1 80 PHE QE . . 5.500 2.863 2.256 3.871 . 0 0 "[ . 1 . 2]" 1 2008 1 73 THR MG 1 74 THR H . . 3.930 3.663 3.439 3.813 . 0 0 "[ . 1 . 2]" 1 2009 1 73 THR MG 1 74 THR HA . . 4.290 4.060 3.675 4.235 . 0 0 "[ . 1 . 2]" 1 2010 1 73 THR MG 1 76 LYS QD . . 5.160 3.870 3.413 4.757 . 0 0 "[ . 1 . 2]" 1 2011 1 73 THR MG 1 76 LYS QE . . 5.420 4.615 2.398 5.382 . 0 0 "[ . 1 . 2]" 1 2012 1 73 THR MG 1 76 LYS HG3 . . 5.500 4.536 3.970 5.019 . 0 0 "[ . 1 . 2]" 1 2013 1 73 THR MG 1 78 GLU H . . 5.070 3.704 3.188 3.981 . 0 0 "[ . 1 . 2]" 1 2014 1 73 THR MG 1 78 GLU HA . . 5.500 4.442 4.140 4.726 . 0 0 "[ . 1 . 2]" 1 2015 1 73 THR MG 1 78 GLU QB . . 3.590 2.196 2.006 2.381 . 0 0 "[ . 1 . 2]" 1 2016 1 73 THR MG 1 80 PHE H . . 5.500 5.548 5.333 5.605 0.105 15 0 "[ . 1 . 2]" 1 2017 1 73 THR MG 1 80 PHE QD . . 4.510 4.242 3.761 4.637 0.127 19 0 "[ . 1 . 2]" 1 2018 1 73 THR MG 1 80 PHE QE . . 4.130 2.810 2.154 3.742 . 0 0 "[ . 1 . 2]" 1 2019 1 74 THR H 1 74 THR HB . . 3.000 2.708 2.538 2.996 . 0 0 "[ . 1 . 2]" 1 2020 1 74 THR H 1 74 THR MG . . 3.640 3.649 3.541 3.708 0.068 20 0 "[ . 1 . 2]" 1 2021 1 74 THR H 1 75 THR H . . 3.320 2.712 2.557 3.272 . 0 0 "[ . 1 . 2]" 1 2022 1 74 THR H 1 78 GLU H . . 5.260 4.628 4.462 4.930 . 0 0 "[ . 1 . 2]" 1 2023 1 74 THR H 1 78 GLU QB . . 5.380 3.412 3.180 3.722 . 0 0 "[ . 1 . 2]" 1 2024 1 74 THR HA 1 74 THR MG . . 3.310 2.313 2.195 2.385 . 0 0 "[ . 1 . 2]" 1 2025 1 74 THR HA 1 78 GLU H . . 4.040 2.642 2.389 2.979 . 0 0 "[ . 1 . 2]" 1 2026 1 74 THR HA 1 78 GLU QB . . 4.650 2.357 2.000 2.709 . 0 0 "[ . 1 . 2]" 1 2027 1 74 THR HA 1 79 ASN H . . 4.940 4.260 3.955 4.715 . 0 0 "[ . 1 . 2]" 1 2028 1 74 THR HB 1 75 THR H . . 3.120 2.902 2.305 3.200 0.080 17 0 "[ . 1 . 2]" 1 2029 1 74 THR MG 1 78 GLU H . . 5.500 4.222 3.902 4.528 . 0 0 "[ . 1 . 2]" 1 2030 1 74 THR MG 1 78 GLU QB . . 3.630 3.290 2.730 3.721 0.091 13 0 "[ . 1 . 2]" 1 2031 1 74 THR MG 1 79 ASN H . . 5.500 3.773 3.203 4.914 . 0 0 "[ . 1 . 2]" 1 2032 1 74 THR MG 1 79 ASN HA . . 4.620 2.269 1.932 3.412 . 0 0 "[ . 1 . 2]" 1 2033 1 74 THR MG 1 79 ASN HB2 . . 5.500 4.247 3.757 5.464 . 0 0 "[ . 1 . 2]" 1 2034 1 74 THR MG 1 80 PHE H . . 5.500 2.499 1.972 3.171 . 0 0 "[ . 1 . 2]" 1 2035 1 74 THR MG 1 80 PHE QD . . 3.510 3.497 3.024 3.638 0.128 15 0 "[ . 1 . 2]" 1 2036 1 75 THR H 1 75 THR HB . . 3.060 2.321 1.903 2.547 . 0 0 "[ . 1 . 2]" 1 2037 1 75 THR H 1 75 THR MG . . 3.150 2.480 2.180 3.273 0.123 17 0 "[ . 1 . 2]" 1 2038 1 75 THR H 1 78 GLU H . . 4.690 4.761 4.669 4.777 0.087 1 0 "[ . 1 . 2]" 1 2039 1 75 THR HB 1 76 LYS HG3 . . 5.350 4.875 3.917 5.399 0.049 11 0 "[ . 1 . 2]" 1 2040 1 75 THR MG 1 76 LYS H . . 4.670 2.679 2.434 3.059 . 0 0 "[ . 1 . 2]" 1 2041 1 75 THR MG 1 76 LYS HA . . 4.860 3.388 2.980 3.657 . 0 0 "[ . 1 . 2]" 1 2042 1 75 THR MG 1 76 LYS HB2 . . 4.090 3.976 3.795 4.172 0.082 17 0 "[ . 1 . 2]" 1 2043 1 75 THR MG 1 76 LYS QD . . 4.390 4.014 3.436 4.485 0.095 19 0 "[ . 1 . 2]" 1 2044 1 75 THR MG 1 76 LYS HG2 . . 3.040 2.821 2.389 3.133 0.093 18 0 "[ . 1 . 2]" 1 2045 1 75 THR MG 1 76 LYS HG3 . . 2.690 2.387 2.159 2.762 0.072 19 0 "[ . 1 . 2]" 1 2046 1 75 THR MG 1 77 GLY H . . 5.200 4.929 4.562 5.272 0.072 8 0 "[ . 1 . 2]" 1 2047 1 76 LYS H 1 76 LYS HB2 . . 3.540 2.565 2.380 2.688 . 0 0 "[ . 1 . 2]" 1 2048 1 76 LYS H 1 76 LYS HB3 . . 3.940 3.691 3.599 3.757 . 0 0 "[ . 1 . 2]" 1 2049 1 76 LYS H 1 76 LYS QD . . 4.750 4.284 4.039 4.536 . 0 0 "[ . 1 . 2]" 1 2050 1 76 LYS H 1 76 LYS QE . . 5.500 4.775 3.798 5.307 . 0 0 "[ . 1 . 2]" 1 2051 1 76 LYS H 1 76 LYS HG2 . . 4.200 3.627 3.309 3.934 . 0 0 "[ . 1 . 2]" 1 2052 1 76 LYS H 1 76 LYS HG3 . . 4.210 2.731 2.466 2.980 . 0 0 "[ . 1 . 2]" 1 2053 1 76 LYS H 1 77 GLY H . . 3.380 2.789 2.230 3.432 0.052 9 0 "[ . 1 . 2]" 1 2054 1 76 LYS H 1 77 GLY HA2 . . 5.090 4.996 4.719 5.159 0.069 6 0 "[ . 1 . 2]" 1 2055 1 76 LYS H 1 77 GLY HA3 . . 5.500 5.241 4.963 5.541 0.041 9 0 "[ . 1 . 2]" 1 2056 1 76 LYS H 1 78 GLU H . . 3.830 3.383 3.101 3.654 . 0 0 "[ . 1 . 2]" 1 2057 1 76 LYS HA 1 76 LYS QD . . 3.870 3.853 3.604 3.947 0.077 3 0 "[ . 1 . 2]" 1 2058 1 76 LYS HA 1 76 LYS HG2 . . 3.760 2.464 2.245 2.694 . 0 0 "[ . 1 . 2]" 1 2059 1 76 LYS HA 1 76 LYS HG3 . . 3.510 3.228 2.992 3.425 . 0 0 "[ . 1 . 2]" 1 2060 1 76 LYS HA 1 77 GLY H . . 3.600 3.530 3.422 3.667 0.067 12 0 "[ . 1 . 2]" 1 2061 1 76 LYS HA 1 77 GLY HA2 . . 4.560 4.568 4.384 4.639 0.079 18 0 "[ . 1 . 2]" 1 2062 1 76 LYS HA 1 77 GLY HA3 . . 5.010 4.802 4.565 5.069 0.059 6 0 "[ . 1 . 2]" 1 2063 1 76 LYS HA 1 78 GLU H . . 4.830 4.917 4.860 4.934 0.104 19 0 "[ . 1 . 2]" 1 2064 1 76 LYS HB2 1 77 GLY H . . 4.550 2.309 1.937 2.967 . 0 0 "[ . 1 . 2]" 1 2065 1 76 LYS HB2 1 77 GLY HA3 . . 5.470 4.250 3.882 4.509 . 0 0 "[ . 1 . 2]" 1 2066 1 76 LYS HB2 1 78 GLU H . . 5.260 3.901 3.574 4.267 . 0 0 "[ . 1 . 2]" 1 2067 1 76 LYS HB3 1 76 LYS QD . . 3.080 2.288 2.159 2.430 . 0 0 "[ . 1 . 2]" 1 2068 1 76 LYS HB3 1 77 GLY H . . 4.630 3.129 2.384 3.833 . 0 0 "[ . 1 . 2]" 1 2069 1 76 LYS HB3 1 77 GLY HA3 . . 5.400 4.147 3.889 4.422 . 0 0 "[ . 1 . 2]" 1 2070 1 76 LYS HB3 1 78 GLU H . . 5.500 4.978 4.663 5.336 . 0 0 "[ . 1 . 2]" 1 2071 1 76 LYS QD 1 76 LYS HG2 . . 2.510 2.352 2.157 2.461 . 0 0 "[ . 1 . 2]" 1 2072 1 76 LYS QE 1 76 LYS HG3 . . 3.600 2.495 2.380 2.663 . 0 0 "[ . 1 . 2]" 1 2073 1 76 LYS HG2 1 77 GLY H . . 5.420 4.798 4.519 5.106 . 0 0 "[ . 1 . 2]" 1 2074 1 76 LYS HG3 1 77 GLY H . . 5.170 4.343 3.962 4.606 . 0 0 "[ . 1 . 2]" 1 2075 1 77 GLY H 1 78 GLU H . . 3.380 1.947 1.500 2.933 . 0 0 "[ . 1 . 2]" 1 2076 1 77 GLY H 1 78 GLU QB . . 4.260 3.570 2.977 4.300 0.040 9 0 "[ . 1 . 2]" 1 2077 1 77 GLY H 1 78 GLU HG2 . . 5.500 4.879 4.216 5.566 0.066 12 0 "[ . 1 . 2]" 1 2078 1 77 GLY H 1 78 GLU HG3 . . 5.490 5.423 4.942 5.593 0.103 12 0 "[ . 1 . 2]" 1 2079 1 77 GLY HA2 1 78 GLU QB . . 5.500 5.126 4.680 5.265 . 0 0 "[ . 1 . 2]" 1 2080 1 77 GLY HA3 1 78 GLU HA . . 5.120 4.519 3.898 4.646 . 0 0 "[ . 1 . 2]" 1 2081 1 77 GLY HA3 1 78 GLU QB . . 5.480 4.976 4.194 5.236 . 0 0 "[ . 1 . 2]" 1 2082 1 78 GLU H 1 78 GLU QB . . 3.050 2.417 2.160 2.614 . 0 0 "[ . 1 . 2]" 1 2083 1 78 GLU H 1 78 GLU HG2 . . 4.290 4.095 3.391 4.575 0.285 12 0 "[ . 1 . 2]" 1 2084 1 78 GLU H 1 78 GLU HG3 . . 4.760 4.446 4.118 4.803 0.043 5 0 "[ . 1 . 2]" 1 2085 1 78 GLU H 1 79 ASN H . . 4.420 4.485 4.424 4.509 0.089 11 0 "[ . 1 . 2]" 1 2086 1 78 GLU H 1 79 ASN HA . . 5.500 5.132 4.929 5.479 . 0 0 "[ . 1 . 2]" 1 2087 1 78 GLU HA 1 78 GLU HG2 . . 3.470 3.069 2.370 3.672 0.202 4 0 "[ . 1 . 2]" 1 2088 1 78 GLU HA 1 78 GLU HG3 . . 3.630 2.982 2.325 3.632 0.002 9 0 "[ . 1 . 2]" 1 2089 1 78 GLU HA 1 79 ASN H . . 2.760 2.336 2.073 2.495 . 0 0 "[ . 1 . 2]" 1 2090 1 78 GLU HA 1 79 ASN HA . . 4.540 4.511 4.343 4.589 0.049 18 0 "[ . 1 . 2]" 1 2091 1 78 GLU HA 1 79 ASN HB2 . . 4.860 4.291 3.949 4.837 . 0 0 "[ . 1 . 2]" 1 2092 1 78 GLU HA 1 79 ASN HB3 . . 4.740 4.527 4.182 4.765 0.025 18 0 "[ . 1 . 2]" 1 2093 1 78 GLU HA 1 80 PHE H . . 4.920 4.300 4.006 4.667 . 0 0 "[ . 1 . 2]" 1 2094 1 78 GLU QB 1 79 ASN H . . 3.520 2.510 2.227 3.483 . 0 0 "[ . 1 . 2]" 1 2095 1 78 GLU QB 1 79 ASN HA . . 4.390 4.040 3.722 4.461 0.071 12 0 "[ . 1 . 2]" 1 2096 1 78 GLU QB 1 80 PHE H . . 5.160 2.663 2.347 3.811 . 0 0 "[ . 1 . 2]" 1 2097 1 78 GLU QB 1 80 PHE QD . . 4.560 2.993 2.392 4.131 . 0 0 "[ . 1 . 2]" 1 2098 1 78 GLU HG3 1 80 PHE H . . 5.500 4.662 3.142 5.180 . 0 0 "[ . 1 . 2]" 1 2099 1 78 GLU HG3 1 80 PHE QD . . 5.270 4.393 3.566 5.400 0.130 18 0 "[ . 1 . 2]" 1 2100 1 78 GLU HG3 1 80 PHE QE . . 4.580 3.554 2.438 4.938 0.358 18 0 "[ . 1 . 2]" 1 2101 1 79 ASN H 1 79 ASN HB2 . . 3.560 3.261 2.868 3.496 . 0 0 "[ . 1 . 2]" 1 2102 1 79 ASN H 1 79 ASN HB3 . . 3.350 2.930 2.695 3.456 0.106 2 0 "[ . 1 . 2]" 1 2103 1 79 ASN H 1 79 ASN HD21 . . 5.250 4.870 3.766 5.181 . 0 0 "[ . 1 . 2]" 1 2104 1 79 ASN H 1 80 PHE H . . 3.490 2.425 1.892 2.888 . 0 0 "[ . 1 . 2]" 1 2105 1 79 ASN H 1 80 PHE HB2 . . 5.500 4.938 4.529 5.245 . 0 0 "[ . 1 . 2]" 1 2106 1 79 ASN H 1 80 PHE QD . . 5.500 4.484 3.958 4.953 . 0 0 "[ . 1 . 2]" 1 2107 1 79 ASN HA 1 79 ASN HD22 . . 5.300 4.145 3.522 5.350 0.050 2 0 "[ . 1 . 2]" 1 2108 1 79 ASN HA 1 80 PHE H . . 2.930 2.717 2.444 3.014 0.084 5 0 "[ . 1 . 2]" 1 2109 1 79 ASN HA 1 80 PHE HB2 . . 5.070 4.676 4.246 5.065 . 0 0 "[ . 1 . 2]" 1 2110 1 79 ASN HB2 1 80 PHE H . . 4.620 4.512 4.229 4.651 0.031 15 0 "[ . 1 . 2]" 1 2111 1 79 ASN HB2 1 81 THR MG . . 5.470 5.408 4.068 5.581 0.111 18 0 "[ . 1 . 2]" 1 2112 1 79 ASN HB3 1 80 PHE H . . 4.150 4.178 3.786 4.611 0.461 2 0 "[ . 1 . 2]" 1 2113 1 79 ASN HB3 1 81 THR MG . . 5.500 4.339 3.942 5.529 0.029 2 0 "[ . 1 . 2]" 1 2114 1 79 ASN HD21 1 80 PHE H . . 5.500 5.170 4.297 5.590 0.090 3 0 "[ . 1 . 2]" 1 2115 1 79 ASN HD21 1 81 THR MG . . 5.500 3.951 2.227 5.598 0.098 17 0 "[ . 1 . 2]" 1 2116 1 79 ASN HD22 1 81 THR MG . . 5.040 3.984 2.621 5.086 0.046 2 0 "[ . 1 . 2]" 1 2117 1 80 PHE H 1 80 PHE HB2 . . 3.420 2.567 2.402 2.843 . 0 0 "[ . 1 . 2]" 1 2118 1 80 PHE H 1 80 PHE HB3 . . 3.900 3.665 3.587 3.766 . 0 0 "[ . 1 . 2]" 1 2119 1 80 PHE H 1 80 PHE QD . . 3.770 3.023 2.474 3.486 . 0 0 "[ . 1 . 2]" 1 2120 1 80 PHE H 1 81 THR H . . 4.840 4.444 4.219 4.612 . 0 0 "[ . 1 . 2]" 1 2121 1 80 PHE H 1 81 THR MG . . 5.500 5.042 4.783 5.162 . 0 0 "[ . 1 . 2]" 1 2122 1 80 PHE H 1 85 VAL MG2 . . 5.490 5.057 4.652 5.342 . 0 0 "[ . 1 . 2]" 1 2123 1 80 PHE HA 1 80 PHE QD . . 3.220 2.419 2.112 2.820 . 0 0 "[ . 1 . 2]" 1 2124 1 80 PHE HA 1 81 THR H . . 3.290 2.080 2.039 2.143 . 0 0 "[ . 1 . 2]" 1 2125 1 80 PHE HA 1 81 THR HA . . 5.060 4.405 4.282 4.511 . 0 0 "[ . 1 . 2]" 1 2126 1 80 PHE HA 1 81 THR HB . . 5.500 5.550 5.458 5.583 0.083 1 0 "[ . 1 . 2]" 1 2127 1 80 PHE HA 1 81 THR MG . . 4.240 3.721 3.504 4.023 . 0 0 "[ . 1 . 2]" 1 2128 1 80 PHE HA 1 84 ASP H . . 5.500 4.957 4.614 5.200 . 0 0 "[ . 1 . 2]" 1 2129 1 80 PHE HA 1 84 ASP HB2 . . 5.060 3.049 2.667 3.297 . 0 0 "[ . 1 . 2]" 1 2130 1 80 PHE HA 1 84 ASP HB3 . . 4.910 3.793 3.345 4.166 . 0 0 "[ . 1 . 2]" 1 2131 1 80 PHE HA 1 85 VAL MG2 . . 5.320 4.078 3.693 4.582 . 0 0 "[ . 1 . 2]" 1 2132 1 80 PHE HA 1 88 MET ME . . 5.500 4.584 4.196 4.960 . 0 0 "[ . 1 . 2]" 1 2133 1 80 PHE HB2 1 81 THR H . . 4.780 4.315 4.031 4.471 . 0 0 "[ . 1 . 2]" 1 2134 1 80 PHE HB2 1 81 THR MG . . 5.500 5.577 5.381 5.611 0.111 9 0 "[ . 1 . 2]" 1 2135 1 80 PHE HB2 1 84 ASP HB3 . . 5.500 5.213 4.462 5.568 0.068 5 0 "[ . 1 . 2]" 1 2136 1 80 PHE HB2 1 85 VAL MG2 . . 4.030 3.132 2.464 3.458 . 0 0 "[ . 1 . 2]" 1 2137 1 80 PHE HB2 1 88 MET ME . . 4.490 3.724 2.905 4.272 . 0 0 "[ . 1 . 2]" 1 2138 1 80 PHE HB3 1 81 THR H . . 4.680 3.428 2.896 3.755 . 0 0 "[ . 1 . 2]" 1 2139 1 80 PHE HB3 1 84 ASP HB3 . . 4.870 3.614 2.733 4.077 . 0 0 "[ . 1 . 2]" 1 2140 1 80 PHE HB3 1 85 VAL MG1 . . 5.500 4.721 4.417 5.012 . 0 0 "[ . 1 . 2]" 1 2141 1 80 PHE HB3 1 85 VAL MG2 . . 3.790 2.229 2.089 2.543 . 0 0 "[ . 1 . 2]" 1 2142 1 80 PHE HB3 1 88 MET ME . . 3.840 2.939 2.293 3.509 . 0 0 "[ . 1 . 2]" 1 2143 1 80 PHE QD 1 81 THR H . . 4.050 3.692 3.219 4.122 0.072 4 0 "[ . 1 . 2]" 1 2144 1 80 PHE QD 1 81 THR MG . . 5.500 5.329 4.808 5.614 0.114 6 0 "[ . 1 . 2]" 1 2145 1 80 PHE QD 1 84 ASP HB2 . . 5.500 2.849 2.423 3.353 . 0 0 "[ . 1 . 2]" 1 2146 1 80 PHE QD 1 84 ASP HB3 . . 3.870 2.344 2.104 2.595 . 0 0 "[ . 1 . 2]" 1 2147 1 80 PHE QD 1 85 VAL H . . 5.020 4.686 4.473 5.000 . 0 0 "[ . 1 . 2]" 1 2148 1 80 PHE QD 1 85 VAL HA . . 5.500 4.986 4.569 5.425 . 0 0 "[ . 1 . 2]" 1 2149 1 80 PHE QD 1 85 VAL MG2 . . 3.610 3.675 3.374 3.738 0.128 2 0 "[ . 1 . 2]" 1 2150 1 80 PHE QD 1 88 MET ME . . 3.620 2.769 2.367 2.968 . 0 0 "[ . 1 . 2]" 1 2151 1 80 PHE QE 1 88 MET ME . . 4.820 3.004 2.545 3.528 . 0 0 "[ . 1 . 2]" 1 2152 1 81 THR H 1 81 THR HB . . 4.000 3.521 3.410 3.620 . 0 0 "[ . 1 . 2]" 1 2153 1 81 THR H 1 81 THR MG . . 3.270 2.471 2.022 2.828 . 0 0 "[ . 1 . 2]" 1 2154 1 81 THR H 1 82 GLU H . . 5.500 4.562 4.464 4.661 . 0 0 "[ . 1 . 2]" 1 2155 1 81 THR H 1 83 THR H . . 5.500 4.871 4.209 5.186 . 0 0 "[ . 1 . 2]" 1 2156 1 81 THR H 1 84 ASP H . . 4.590 3.365 3.110 3.778 . 0 0 "[ . 1 . 2]" 1 2157 1 81 THR H 1 84 ASP HB2 . . 3.870 2.405 2.038 2.684 . 0 0 "[ . 1 . 2]" 1 2158 1 81 THR H 1 84 ASP HB3 . . 4.340 3.870 3.519 4.067 . 0 0 "[ . 1 . 2]" 1 2159 1 81 THR H 1 85 VAL H . . 5.380 4.187 3.901 4.488 . 0 0 "[ . 1 . 2]" 1 2160 1 81 THR H 1 85 VAL MG2 . . 5.270 3.933 3.622 4.128 . 0 0 "[ . 1 . 2]" 1 2161 1 81 THR H 1 88 MET ME . . 5.380 5.418 5.237 5.478 0.098 16 0 "[ . 1 . 2]" 1 2162 1 81 THR HA 1 81 THR MG . . 3.110 2.240 2.160 2.339 . 0 0 "[ . 1 . 2]" 1 2163 1 81 THR HA 1 82 GLU H . . 3.170 2.322 2.236 2.421 . 0 0 "[ . 1 . 2]" 1 2164 1 81 THR HA 1 82 GLU HA . . 4.450 4.275 4.081 4.429 . 0 0 "[ . 1 . 2]" 1 2165 1 81 THR HA 1 82 GLU HB2 . . 4.850 4.227 4.062 4.398 . 0 0 "[ . 1 . 2]" 1 2166 1 81 THR HA 1 82 GLU HB3 . . 5.460 5.343 5.080 5.508 0.048 4 0 "[ . 1 . 2]" 1 2167 1 81 THR HA 1 82 GLU HG3 . . 5.500 5.568 5.509 5.590 0.090 8 0 "[ . 1 . 2]" 1 2168 1 81 THR HA 1 83 THR H . . 4.310 4.193 3.755 4.378 0.068 14 0 "[ . 1 . 2]" 1 2169 1 81 THR HA 1 85 VAL MG2 . . 5.270 4.181 3.858 4.435 . 0 0 "[ . 1 . 2]" 1 2170 1 81 THR HB 1 82 GLU H . . 3.220 2.577 2.339 2.836 . 0 0 "[ . 1 . 2]" 1 2171 1 81 THR HB 1 82 GLU HB2 . . 4.500 4.162 3.959 4.550 0.050 13 0 "[ . 1 . 2]" 1 2172 1 81 THR HB 1 83 THR H . . 3.070 2.658 2.350 2.935 . 0 0 "[ . 1 . 2]" 1 2173 1 81 THR HB 1 83 THR HB . . 3.300 3.374 3.343 3.392 0.092 18 0 "[ . 1 . 2]" 1 2174 1 81 THR HB 1 84 ASP H . . 3.640 3.515 3.270 3.714 0.074 18 0 "[ . 1 . 2]" 1 2175 1 81 THR HB 1 84 ASP HB2 . . 5.180 4.764 4.312 5.232 0.052 18 0 "[ . 1 . 2]" 1 2176 1 81 THR HB 1 85 VAL MG2 . . 5.500 5.324 5.043 5.508 0.008 1 0 "[ . 1 . 2]" 1 2177 1 81 THR MG 1 82 GLU H . . 3.790 3.547 3.368 3.632 . 0 0 "[ . 1 . 2]" 1 2178 1 81 THR MG 1 82 GLU HA . . 5.500 5.566 5.444 5.606 0.106 11 0 "[ . 1 . 2]" 1 2179 1 81 THR MG 1 82 GLU HB2 . . 4.950 5.023 4.799 5.057 0.107 1 0 "[ . 1 . 2]" 1 2180 1 81 THR MG 1 83 THR H . . 4.700 4.271 3.874 4.557 . 0 0 "[ . 1 . 2]" 1 2181 1 81 THR MG 1 83 THR HB . . 5.370 4.315 3.947 4.706 . 0 0 "[ . 1 . 2]" 1 2182 1 81 THR MG 1 83 THR MG . . 5.500 5.228 4.948 5.541 0.041 13 0 "[ . 1 . 2]" 1 2183 1 81 THR MG 1 84 ASP H . . 4.970 4.254 3.851 4.667 . 0 0 "[ . 1 . 2]" 1 2184 1 82 GLU H 1 82 GLU HB2 . . 3.350 1.987 1.907 2.046 . 0 0 "[ . 1 . 2]" 1 2185 1 82 GLU H 1 82 GLU HB3 . . 3.310 3.060 2.798 3.275 . 0 0 "[ . 1 . 2]" 1 2186 1 82 GLU H 1 82 GLU HG2 . . 4.480 4.384 4.101 4.528 0.048 3 0 "[ . 1 . 2]" 1 2187 1 82 GLU H 1 82 GLU HG3 . . 3.930 3.719 3.511 3.947 0.017 1 0 "[ . 1 . 2]" 1 2188 1 82 GLU H 1 83 THR H . . 3.660 2.795 2.544 2.899 . 0 0 "[ . 1 . 2]" 1 2189 1 82 GLU H 1 83 THR HB . . 5.400 4.916 4.683 5.226 . 0 0 "[ . 1 . 2]" 1 2190 1 82 GLU H 1 84 ASP H . . 5.500 4.399 4.211 4.651 . 0 0 "[ . 1 . 2]" 1 2191 1 82 GLU H 1 85 VAL H . . 5.500 4.810 4.718 4.877 . 0 0 "[ . 1 . 2]" 1 2192 1 82 GLU H 1 85 VAL HB . . 5.500 5.012 4.771 5.532 0.032 1 0 "[ . 1 . 2]" 1 2193 1 82 GLU H 1 85 VAL MG2 . . 5.170 4.334 4.049 4.523 . 0 0 "[ . 1 . 2]" 1 2194 1 82 GLU HA 1 82 GLU HG3 . . 3.760 2.415 2.100 2.947 . 0 0 "[ . 1 . 2]" 1 2195 1 82 GLU HA 1 84 ASP H . . 5.280 4.547 4.082 4.911 . 0 0 "[ . 1 . 2]" 1 2196 1 82 GLU HA 1 85 VAL H . . 3.860 3.531 3.170 3.741 . 0 0 "[ . 1 . 2]" 1 2197 1 82 GLU HA 1 85 VAL HB . . 2.980 2.557 2.321 2.855 . 0 0 "[ . 1 . 2]" 1 2198 1 82 GLU HA 1 85 VAL MG1 . . 4.290 3.856 3.597 4.346 0.056 1 0 "[ . 1 . 2]" 1 2199 1 82 GLU HA 1 85 VAL MG2 . . 3.510 2.998 2.871 3.074 . 0 0 "[ . 1 . 2]" 1 2200 1 82 GLU HB2 1 82 GLU HG2 . . 3.010 3.026 2.968 3.057 0.047 1 0 "[ . 1 . 2]" 1 2201 1 82 GLU HB2 1 83 THR H . . 3.820 3.407 3.108 3.905 0.085 10 0 "[ . 1 . 2]" 1 2202 1 82 GLU HB3 1 83 THR H . . 3.860 2.864 2.599 3.672 . 0 0 "[ . 1 . 2]" 1 2203 1 82 GLU HB3 1 83 THR HB . . 5.500 5.170 4.748 5.444 . 0 0 "[ . 1 . 2]" 1 2204 1 82 GLU HB3 1 85 VAL MG2 . . 5.360 5.464 5.452 5.472 0.112 4 0 "[ . 1 . 2]" 1 2205 1 82 GLU HG2 1 85 VAL HB . . 5.500 4.262 3.701 4.942 . 0 0 "[ . 1 . 2]" 1 2206 1 82 GLU HG2 1 85 VAL MG1 . . 5.500 4.739 3.981 5.475 . 0 0 "[ . 1 . 2]" 1 2207 1 82 GLU HG2 1 85 VAL MG2 . . 5.500 4.979 4.384 5.531 0.031 3 0 "[ . 1 . 2]" 1 2208 1 82 GLU HG2 1 86 LYS H . . 5.500 5.005 4.386 5.555 0.055 10 0 "[ . 1 . 2]" 1 2209 1 82 GLU HG2 1 86 LYS HG3 . . 5.330 3.850 3.105 4.704 . 0 0 "[ . 1 . 2]" 1 2210 1 82 GLU HG3 1 83 THR H . . 5.390 5.054 4.834 5.446 0.056 5 0 "[ . 1 . 2]" 1 2211 1 82 GLU HG3 1 85 VAL MG1 . . 5.500 4.757 4.235 5.352 . 0 0 "[ . 1 . 2]" 1 2212 1 83 THR H 1 83 THR HB . . 3.310 2.507 2.269 2.744 . 0 0 "[ . 1 . 2]" 1 2213 1 83 THR H 1 83 THR MG . . 4.210 3.678 3.559 3.873 . 0 0 "[ . 1 . 2]" 1 2214 1 83 THR H 1 84 ASP H . . 3.620 2.784 2.175 3.013 . 0 0 "[ . 1 . 2]" 1 2215 1 83 THR H 1 85 VAL H . . 5.050 4.110 3.341 4.320 . 0 0 "[ . 1 . 2]" 1 2216 1 83 THR H 1 85 VAL MG2 . . 5.500 4.922 4.150 5.153 . 0 0 "[ . 1 . 2]" 1 2217 1 83 THR H 1 86 LYS H . . 5.000 4.586 4.276 4.721 . 0 0 "[ . 1 . 2]" 1 2218 1 83 THR H 1 86 LYS HB2 . . 5.500 5.123 4.555 5.566 0.066 10 0 "[ . 1 . 2]" 1 2219 1 83 THR HA 1 83 THR MG . . 3.630 2.346 2.192 2.480 . 0 0 "[ . 1 . 2]" 1 2220 1 83 THR HA 1 86 LYS H . . 4.280 3.457 3.261 3.596 . 0 0 "[ . 1 . 2]" 1 2221 1 83 THR HA 1 86 LYS HA . . 5.500 5.465 5.200 5.580 0.080 8 0 "[ . 1 . 2]" 1 2222 1 83 THR HA 1 86 LYS HB2 . . 3.560 2.731 2.279 3.198 . 0 0 "[ . 1 . 2]" 1 2223 1 83 THR HA 1 86 LYS QD . . 4.590 2.983 2.244 4.659 0.069 5 0 "[ . 1 . 2]" 1 2224 1 83 THR HA 1 86 LYS HG2 . . 5.310 5.006 4.619 5.416 0.106 8 0 "[ . 1 . 2]" 1 2225 1 83 THR HA 1 86 LYS HG3 . . 5.500 3.759 3.013 4.392 . 0 0 "[ . 1 . 2]" 1 2226 1 83 THR HA 1 87 MET H . . 4.630 4.340 4.047 4.613 . 0 0 "[ . 1 . 2]" 1 2227 1 83 THR HA 1 87 MET QG . . 5.500 4.229 3.977 4.487 . 0 0 "[ . 1 . 2]" 1 2228 1 83 THR HB 1 84 ASP H . . 3.850 2.530 2.282 2.861 . 0 0 "[ . 1 . 2]" 1 2229 1 83 THR HB 1 85 VAL H . . 5.230 4.941 4.739 5.108 . 0 0 "[ . 1 . 2]" 1 2230 1 83 THR MG 1 84 ASP H . . 4.540 3.603 3.199 3.910 . 0 0 "[ . 1 . 2]" 1 2231 1 83 THR MG 1 84 ASP HA . . 4.910 3.873 3.475 4.188 . 0 0 "[ . 1 . 2]" 1 2232 1 83 THR MG 1 86 LYS H . . 5.500 4.855 4.703 4.995 . 0 0 "[ . 1 . 2]" 1 2233 1 83 THR MG 1 86 LYS HB2 . . 5.500 3.950 3.736 4.201 . 0 0 "[ . 1 . 2]" 1 2234 1 83 THR MG 1 86 LYS QD . . 5.290 4.111 3.464 5.370 0.080 5 0 "[ . 1 . 2]" 1 2235 1 83 THR MG 1 86 LYS QE . . 5.500 4.337 3.088 5.474 . 0 0 "[ . 1 . 2]" 1 2236 1 83 THR MG 1 87 MET H . . 4.650 4.518 4.133 4.754 0.104 16 0 "[ . 1 . 2]" 1 2237 1 83 THR MG 1 87 MET ME . . 3.290 3.242 2.846 3.423 0.133 16 0 "[ . 1 . 2]" 1 2238 1 83 THR MG 1 87 MET QG . . 4.200 3.195 2.778 3.698 . 0 0 "[ . 1 . 2]" 1 2239 1 84 ASP H 1 84 ASP HB2 . . 4.020 2.396 2.166 2.675 . 0 0 "[ . 1 . 2]" 1 2240 1 84 ASP H 1 85 VAL H . . 3.760 2.624 2.440 2.790 . 0 0 "[ . 1 . 2]" 1 2241 1 84 ASP H 1 85 VAL HA . . 5.500 5.259 5.084 5.416 . 0 0 "[ . 1 . 2]" 1 2242 1 84 ASP H 1 85 VAL HB . . 5.370 4.744 4.482 5.118 . 0 0 "[ . 1 . 2]" 1 2243 1 84 ASP H 1 85 VAL MG2 . . 4.740 4.040 3.784 4.281 . 0 0 "[ . 1 . 2]" 1 2244 1 84 ASP H 1 86 LYS H . . 5.200 4.137 3.878 4.376 . 0 0 "[ . 1 . 2]" 1 2245 1 84 ASP HA 1 86 LYS H . . 5.060 4.471 4.205 4.644 . 0 0 "[ . 1 . 2]" 1 2246 1 84 ASP HA 1 87 MET H . . 4.090 3.401 2.981 3.764 . 0 0 "[ . 1 . 2]" 1 2247 1 84 ASP HA 1 87 MET HB2 . . 4.060 3.148 2.687 3.387 . 0 0 "[ . 1 . 2]" 1 2248 1 84 ASP HA 1 87 MET HB3 . . 4.720 4.598 4.235 4.796 0.076 17 0 "[ . 1 . 2]" 1 2249 1 84 ASP HA 1 87 MET ME . . 5.500 4.956 4.694 5.197 . 0 0 "[ . 1 . 2]" 1 2250 1 84 ASP HA 1 87 MET QG . . 5.000 2.324 1.978 2.842 . 0 0 "[ . 1 . 2]" 1 2251 1 84 ASP HA 1 88 MET H . . 5.470 4.162 3.917 4.362 . 0 0 "[ . 1 . 2]" 1 2252 1 84 ASP HB2 1 85 VAL H . . 4.220 2.625 2.297 2.954 . 0 0 "[ . 1 . 2]" 1 2253 1 84 ASP HB3 1 85 VAL H . . 4.670 3.402 3.049 3.683 . 0 0 "[ . 1 . 2]" 1 2254 1 84 ASP HB3 1 85 VAL MG2 . . 5.500 3.822 3.414 4.168 . 0 0 "[ . 1 . 2]" 1 2255 1 84 ASP HB3 1 88 MET ME . . 4.160 3.315 2.709 3.991 . 0 0 "[ . 1 . 2]" 1 2256 1 85 VAL H 1 85 VAL HB . . 3.430 2.467 2.364 2.660 . 0 0 "[ . 1 . 2]" 1 2257 1 85 VAL H 1 85 VAL MG1 . . 3.800 3.761 3.710 3.822 0.022 14 0 "[ . 1 . 2]" 1 2258 1 85 VAL H 1 85 VAL MG2 . . 3.090 2.110 2.009 2.266 . 0 0 "[ . 1 . 2]" 1 2259 1 85 VAL H 1 86 LYS H . . 3.410 2.796 2.634 2.889 . 0 0 "[ . 1 . 2]" 1 2260 1 85 VAL H 1 88 MET ME . . 4.600 4.055 3.676 4.313 . 0 0 "[ . 1 . 2]" 1 2261 1 85 VAL HA 1 85 VAL MG1 . . 3.330 2.466 2.297 2.623 . 0 0 "[ . 1 . 2]" 1 2262 1 85 VAL HA 1 85 VAL MG2 . . 3.140 2.428 2.296 2.545 . 0 0 "[ . 1 . 2]" 1 2263 1 85 VAL HA 1 86 LYS HA . . 5.050 4.840 4.762 4.902 . 0 0 "[ . 1 . 2]" 1 2264 1 85 VAL HA 1 87 MET H . . 5.500 4.320 3.898 4.509 . 0 0 "[ . 1 . 2]" 1 2265 1 85 VAL HA 1 88 MET H . . 4.750 3.256 2.785 3.532 . 0 0 "[ . 1 . 2]" 1 2266 1 85 VAL HA 1 88 MET HB2 . . 4.110 2.338 2.241 2.699 . 0 0 "[ . 1 . 2]" 1 2267 1 85 VAL HA 1 88 MET HB3 . . 4.270 3.878 2.503 4.148 . 0 0 "[ . 1 . 2]" 1 2268 1 85 VAL HA 1 88 MET ME . . 3.090 2.456 2.160 2.663 . 0 0 "[ . 1 . 2]" 1 2269 1 85 VAL HA 1 88 MET HG2 . . 4.820 4.707 4.337 5.056 0.236 5 0 "[ . 1 . 2]" 1 2270 1 85 VAL HA 1 89 GLU H . . 4.980 3.985 3.783 4.341 . 0 0 "[ . 1 . 2]" 1 2271 1 85 VAL HB 1 86 LYS H . . 3.670 2.797 2.657 3.027 . 0 0 "[ . 1 . 2]" 1 2272 1 85 VAL MG1 1 86 LYS H . . 3.990 3.587 3.388 3.932 . 0 0 "[ . 1 . 2]" 1 2273 1 85 VAL MG1 1 87 MET H . . 5.500 5.177 4.997 5.353 . 0 0 "[ . 1 . 2]" 1 2274 1 85 VAL MG1 1 88 MET H . . 4.970 4.712 4.247 5.045 0.075 6 0 "[ . 1 . 2]" 1 2275 1 85 VAL MG1 1 88 MET HB2 . . 4.110 3.596 2.836 4.402 0.292 3 0 "[ . 1 . 2]" 1 2276 1 85 VAL MG1 1 88 MET HB3 . . 4.950 4.478 3.428 4.728 . 0 0 "[ . 1 . 2]" 1 2277 1 85 VAL MG1 1 88 MET ME . . 3.310 3.255 2.365 3.432 0.122 12 0 "[ . 1 . 2]" 1 2278 1 85 VAL MG1 1 89 GLU H . . 5.500 3.966 3.741 4.431 . 0 0 "[ . 1 . 2]" 1 2279 1 85 VAL MG1 1 89 GLU HG2 . . 4.320 3.656 3.006 4.260 . 0 0 "[ . 1 . 2]" 1 2280 1 85 VAL MG2 1 86 LYS H . . 4.190 4.001 3.873 4.063 . 0 0 "[ . 1 . 2]" 1 2281 1 85 VAL MG2 1 88 MET ME . . 3.570 2.610 2.164 2.998 . 0 0 "[ . 1 . 2]" 1 2282 1 86 LYS H 1 86 LYS HB2 . . 3.310 2.371 2.112 2.585 . 0 0 "[ . 1 . 2]" 1 2283 1 86 LYS H 1 86 LYS QD . . 4.470 3.944 3.474 4.549 0.079 20 0 "[ . 1 . 2]" 1 2284 1 86 LYS H 1 86 LYS QE . . 5.500 4.736 3.797 5.131 . 0 0 "[ . 1 . 2]" 1 2285 1 86 LYS H 1 86 LYS HG2 . . 4.170 3.784 3.426 4.175 0.005 13 0 "[ . 1 . 2]" 1 2286 1 86 LYS H 1 86 LYS HG3 . . 4.460 2.675 2.400 3.226 . 0 0 "[ . 1 . 2]" 1 2287 1 86 LYS H 1 87 MET H . . 3.740 2.763 2.515 2.901 . 0 0 "[ . 1 . 2]" 1 2288 1 86 LYS H 1 87 MET QG . . 5.500 4.258 3.867 4.503 . 0 0 "[ . 1 . 2]" 1 2289 1 86 LYS H 1 88 MET H . . 5.390 4.200 3.941 4.316 . 0 0 "[ . 1 . 2]" 1 2290 1 86 LYS H 1 88 MET ME . . 5.500 5.457 5.074 5.605 0.105 10 0 "[ . 1 . 2]" 1 2291 1 86 LYS H 1 89 GLU H . . 5.500 4.634 4.476 4.730 . 0 0 "[ . 1 . 2]" 1 2292 1 86 LYS HA 1 86 LYS QD . . 4.080 4.115 3.844 4.172 0.092 17 0 "[ . 1 . 2]" 1 2293 1 86 LYS HA 1 86 LYS HG2 . . 3.990 2.455 2.293 2.665 . 0 0 "[ . 1 . 2]" 1 2294 1 86 LYS HA 1 86 LYS HG3 . . 3.810 2.892 2.597 3.196 . 0 0 "[ . 1 . 2]" 1 2295 1 86 LYS HA 1 89 GLU H . . 4.190 3.272 2.972 3.461 . 0 0 "[ . 1 . 2]" 1 2296 1 86 LYS HA 1 89 GLU HB2 . . 3.710 2.618 2.231 2.982 . 0 0 "[ . 1 . 2]" 1 2297 1 86 LYS HA 1 89 GLU HG2 . . 4.580 4.539 4.072 4.655 0.075 14 0 "[ . 1 . 2]" 1 2298 1 86 LYS HA 1 89 GLU HG3 . . 4.350 3.086 2.335 3.583 . 0 0 "[ . 1 . 2]" 1 2299 1 86 LYS HA 1 90 ARG H . . 5.470 4.977 4.411 5.475 0.005 1 0 "[ . 1 . 2]" 1 2300 1 86 LYS HB2 1 87 MET H . . 3.610 2.804 2.581 3.160 . 0 0 "[ . 1 . 2]" 1 2301 1 86 LYS HB3 1 86 LYS QE . . 4.380 2.164 1.905 2.625 . 0 0 "[ . 1 . 2]" 1 2302 1 86 LYS HB3 1 87 MET ME . . 4.760 4.395 4.062 4.814 0.054 8 0 "[ . 1 . 2]" 1 2303 1 86 LYS HG2 1 87 MET H . . 5.050 5.126 4.954 5.312 0.262 6 0 "[ . 1 . 2]" 1 2304 1 86 LYS HG3 1 87 MET H . . 5.310 4.702 4.321 5.087 . 0 0 "[ . 1 . 2]" 1 2305 1 87 MET H 1 87 MET ME . . 3.960 3.994 3.724 4.062 0.102 11 0 "[ . 1 . 2]" 1 2306 1 87 MET H 1 87 MET QG . . 3.640 2.195 2.030 2.360 . 0 0 "[ . 1 . 2]" 1 2307 1 87 MET H 1 88 MET H . . 3.860 2.618 2.494 2.816 . 0 0 "[ . 1 . 2]" 1 2308 1 87 MET H 1 88 MET HA . . 5.500 5.254 5.159 5.421 . 0 0 "[ . 1 . 2]" 1 2309 1 87 MET H 1 89 GLU H . . 4.460 4.100 3.951 4.234 . 0 0 "[ . 1 . 2]" 1 2310 1 87 MET H 1 90 ARG H . . 5.500 5.285 5.053 5.535 0.035 19 0 "[ . 1 . 2]" 1 2311 1 87 MET HA 1 87 MET ME . . 4.120 3.125 2.859 3.929 . 0 0 "[ . 1 . 2]" 1 2312 1 87 MET HA 1 87 MET QG . . 3.720 2.851 2.559 3.292 . 0 0 "[ . 1 . 2]" 1 2313 1 87 MET HA 1 88 MET HA . . 5.480 4.799 4.744 4.861 . 0 0 "[ . 1 . 2]" 1 2314 1 87 MET HA 1 90 ARG H . . 4.200 3.784 3.497 4.081 . 0 0 "[ . 1 . 2]" 1 2315 1 87 MET HA 1 91 VAL QG . . 5.410 4.118 3.776 4.856 . 0 0 "[ . 1 . 2]" 1 2316 1 87 MET HB2 1 88 MET H . . 4.580 2.567 2.310 2.772 . 0 0 "[ . 1 . 2]" 1 2317 1 87 MET HB3 1 87 MET ME . . 3.680 3.246 2.677 3.762 0.082 6 0 "[ . 1 . 2]" 1 2318 1 87 MET ME 1 87 MET QG . . 3.300 2.161 2.007 2.317 . 0 0 "[ . 1 . 2]" 1 2319 1 87 MET ME 1 88 MET H . . 5.500 5.563 5.384 5.621 0.121 3 0 "[ . 1 . 2]" 1 2320 1 87 MET QG 1 88 MET H . . 5.060 3.771 3.642 3.888 . 0 0 "[ . 1 . 2]" 1 2321 1 88 MET H 1 88 MET HB2 . . 3.980 2.393 2.136 2.516 . 0 0 "[ . 1 . 2]" 1 2322 1 88 MET H 1 88 MET HB3 . . 4.130 3.578 3.002 3.672 . 0 0 "[ . 1 . 2]" 1 2323 1 88 MET H 1 88 MET ME . . 4.760 4.017 3.730 4.211 . 0 0 "[ . 1 . 2]" 1 2324 1 88 MET H 1 88 MET HG2 . . 4.590 3.812 3.285 4.572 . 0 0 "[ . 1 . 2]" 1 2325 1 88 MET H 1 88 MET HG3 . . 5.180 2.798 2.327 4.173 . 0 0 "[ . 1 . 2]" 1 2326 1 88 MET H 1 89 GLU H . . 3.990 2.844 2.745 2.988 . 0 0 "[ . 1 . 2]" 1 2327 1 88 MET H 1 90 ARG H . . 5.420 4.285 4.113 4.529 . 0 0 "[ . 1 . 2]" 1 2328 1 88 MET HA 1 88 MET ME . . 5.500 4.497 4.103 4.620 . 0 0 "[ . 1 . 2]" 1 2329 1 88 MET HA 1 88 MET HG2 . . 4.150 2.628 2.119 3.249 . 0 0 "[ . 1 . 2]" 1 2330 1 88 MET HA 1 90 ARG H . . 5.210 3.761 3.407 4.389 . 0 0 "[ . 1 . 2]" 1 2331 1 88 MET HA 1 91 VAL H . . 4.210 3.367 3.142 3.640 . 0 0 "[ . 1 . 2]" 1 2332 1 88 MET HA 1 91 VAL HA . . 5.450 5.257 4.986 5.532 0.082 3 0 "[ . 1 . 2]" 1 2333 1 88 MET HA 1 91 VAL HB . . 4.380 3.917 2.031 4.479 0.099 9 0 "[ . 1 . 2]" 1 2334 1 88 MET HA 1 91 VAL QG . . 3.430 1.928 1.811 2.604 . 0 0 "[ . 1 . 2]" 1 2335 1 88 MET HA 1 92 VAL H . . 4.570 3.467 3.341 3.623 . 0 0 "[ . 1 . 2]" 1 2336 1 88 MET HA 1 92 VAL QG . . 4.850 3.165 2.997 3.352 . 0 0 "[ . 1 . 2]" 1 2337 1 88 MET HB2 1 88 MET ME . . 3.280 2.452 2.177 2.666 . 0 0 "[ . 1 . 2]" 1 2338 1 88 MET HB2 1 89 GLU H . . 4.960 2.980 2.759 3.756 . 0 0 "[ . 1 . 2]" 1 2339 1 88 MET HB2 1 91 VAL QG . . 5.500 4.210 3.911 4.744 . 0 0 "[ . 1 . 2]" 1 2340 1 88 MET HB2 1 92 VAL QG . . 5.500 4.197 3.783 4.616 . 0 0 "[ . 1 . 2]" 1 2341 1 88 MET HB3 1 88 MET ME . . 3.180 2.927 2.514 3.266 0.086 5 0 "[ . 1 . 2]" 1 2342 1 88 MET HB3 1 89 GLU H . . 5.070 3.607 2.703 3.859 . 0 0 "[ . 1 . 2]" 1 2343 1 88 MET HB3 1 89 GLU HA . . 5.500 4.381 4.090 4.662 . 0 0 "[ . 1 . 2]" 1 2344 1 88 MET HB3 1 91 VAL QG . . 4.100 3.469 3.039 4.159 0.059 3 0 "[ . 1 . 2]" 1 2345 1 88 MET HB3 1 92 VAL QG . . 5.280 2.872 2.407 3.937 . 0 0 "[ . 1 . 2]" 1 2346 1 88 MET ME 1 88 MET HG2 . . 3.590 2.954 2.356 3.421 . 0 0 "[ . 1 . 2]" 1 2347 1 88 MET ME 1 88 MET HG3 . . 3.340 2.913 2.285 3.451 0.111 6 0 "[ . 1 . 2]" 1 2348 1 88 MET HG2 1 91 VAL QG . . 3.970 3.111 2.443 3.896 . 0 0 "[ . 1 . 2]" 1 2349 1 88 MET HG2 1 92 VAL QG . . 5.180 3.616 2.097 3.991 . 0 0 "[ . 1 . 2]" 1 2350 1 88 MET HG3 1 91 VAL QG . . 5.250 3.419 2.656 4.258 . 0 0 "[ . 1 . 2]" 1 2351 1 88 MET HG3 1 92 VAL QG . . 5.190 4.449 3.097 4.953 . 0 0 "[ . 1 . 2]" 1 2352 1 89 GLU H 1 89 GLU HB2 . . 3.330 2.378 2.074 2.547 . 0 0 "[ . 1 . 2]" 1 2353 1 89 GLU H 1 89 GLU HB3 . . 3.600 3.574 3.355 3.655 0.055 9 0 "[ . 1 . 2]" 1 2354 1 89 GLU H 1 89 GLU HG2 . . 3.780 3.339 2.722 3.818 0.038 10 0 "[ . 1 . 2]" 1 2355 1 89 GLU H 1 89 GLU HG3 . . 3.860 2.840 2.451 3.826 . 0 0 "[ . 1 . 2]" 1 2356 1 89 GLU H 1 90 ARG H . . 3.700 2.919 2.806 3.048 . 0 0 "[ . 1 . 2]" 1 2357 1 89 GLU H 1 91 VAL QG . . 5.500 4.382 4.067 4.790 . 0 0 "[ . 1 . 2]" 1 2358 1 89 GLU HA 1 89 GLU HG2 . . 3.850 2.344 2.127 2.542 . 0 0 "[ . 1 . 2]" 1 2359 1 89 GLU HA 1 89 GLU HG3 . . 3.630 3.277 2.759 3.634 0.004 3 0 "[ . 1 . 2]" 1 2360 1 89 GLU HA 1 91 VAL H . . 4.990 4.991 4.836 5.063 0.073 10 0 "[ . 1 . 2]" 1 2361 1 89 GLU HA 1 92 VAL H . . 4.630 4.078 3.731 4.438 . 0 0 "[ . 1 . 2]" 1 2362 1 89 GLU HA 1 92 VAL QG . . 4.950 3.691 2.864 4.196 . 0 0 "[ . 1 . 2]" 1 2363 1 89 GLU HB2 1 90 ARG H . . 3.860 3.359 2.577 3.796 . 0 0 "[ . 1 . 2]" 1 2364 1 89 GLU HB3 1 90 ARG HE . . 4.330 3.887 2.581 4.417 0.087 14 0 "[ . 1 . 2]" 1 2365 1 89 GLU HG2 1 90 ARG H . . 5.500 5.138 4.955 5.429 . 0 0 "[ . 1 . 2]" 1 2366 1 90 ARG H 1 90 ARG HB2 . . 3.320 2.565 2.260 2.692 . 0 0 "[ . 1 . 2]" 1 2367 1 90 ARG H 1 90 ARG HB3 . . 3.700 3.695 3.475 3.773 0.073 19 0 "[ . 1 . 2]" 1 2368 1 90 ARG H 1 90 ARG HD2 . . 5.500 4.742 3.011 5.561 0.061 5 0 "[ . 1 . 2]" 1 2369 1 90 ARG H 1 90 ARG HD3 . . 5.360 4.043 2.606 4.742 . 0 0 "[ . 1 . 2]" 1 2370 1 90 ARG H 1 90 ARG HG2 . . 3.900 2.774 2.293 4.073 0.173 1 0 "[ . 1 . 2]" 1 2371 1 90 ARG H 1 91 VAL H . . 3.510 2.266 2.087 2.734 . 0 0 "[ . 1 . 2]" 1 2372 1 90 ARG H 1 91 VAL HB . . 5.500 5.177 3.772 5.594 0.094 6 0 "[ . 1 . 2]" 1 2373 1 90 ARG H 1 91 VAL QG . . 5.380 3.484 3.013 4.373 . 0 0 "[ . 1 . 2]" 1 2374 1 90 ARG H 1 92 VAL H . . 4.960 3.793 3.454 4.531 . 0 0 "[ . 1 . 2]" 1 2375 1 90 ARG H 1 92 VAL QG . . 5.500 4.666 3.958 5.161 . 0 0 "[ . 1 . 2]" 1 2376 1 90 ARG HA 1 90 ARG HD2 . . 3.700 3.363 2.323 3.770 0.070 16 0 "[ . 1 . 2]" 1 2377 1 90 ARG HA 1 90 ARG HD3 . . 3.690 2.411 2.029 3.788 0.098 9 0 "[ . 1 . 2]" 1 2378 1 90 ARG HA 1 90 ARG HE . . 5.250 3.655 2.013 4.654 . 0 0 "[ . 1 . 2]" 1 2379 1 90 ARG HA 1 90 ARG HG2 . . 3.880 3.268 2.933 3.662 . 0 0 "[ . 1 . 2]" 1 2380 1 90 ARG HA 1 90 ARG HG3 . . 3.900 3.694 2.389 3.872 . 0 0 "[ . 1 . 2]" 1 2381 1 90 ARG HA 1 92 VAL H . . 5.500 4.634 4.391 4.874 . 0 0 "[ . 1 . 2]" 1 2382 1 90 ARG HA 1 93 GLU HG2 . . 5.500 4.995 4.309 5.577 0.077 11 0 "[ . 1 . 2]" 1 2383 1 90 ARG HA 1 93 GLU HG3 . . 5.060 4.815 3.716 5.571 0.511 3 1 "[ + . 1 . 2]" 1 2384 1 90 ARG HA 1 94 GLN H . . 4.810 3.842 3.611 4.116 . 0 0 "[ . 1 . 2]" 1 2385 1 90 ARG HB2 1 91 VAL H . . 4.160 2.427 2.330 2.528 . 0 0 "[ . 1 . 2]" 1 2386 1 90 ARG HB2 1 91 VAL QG . . 5.500 3.435 3.034 4.311 . 0 0 "[ . 1 . 2]" 1 2387 1 90 ARG HB3 1 90 ARG HD2 . . 4.120 3.134 2.587 3.767 . 0 0 "[ . 1 . 2]" 1 2388 1 90 ARG HB3 1 90 ARG HD3 . . 4.130 2.878 2.350 3.794 . 0 0 "[ . 1 . 2]" 1 2389 1 90 ARG HB3 1 90 ARG HE . . 5.270 4.353 3.021 5.012 . 0 0 "[ . 1 . 2]" 1 2390 1 90 ARG HB3 1 91 VAL H . . 3.940 3.530 3.210 3.777 . 0 0 "[ . 1 . 2]" 1 2391 1 90 ARG HD3 1 91 VAL H . . 5.130 5.182 4.518 6.077 0.947 8 2 "[ . +-1 . 2]" 1 2392 1 90 ARG HE 1 90 ARG HG2 . . 3.780 2.710 2.100 3.875 0.095 9 0 "[ . 1 . 2]" 1 2393 1 90 ARG HE 1 90 ARG HG3 . . 3.800 3.309 2.723 3.876 0.076 18 0 "[ . 1 . 2]" 1 2394 1 90 ARG HG2 1 91 VAL H . . 4.760 4.206 3.830 4.772 0.012 1 0 "[ . 1 . 2]" 1 2395 1 90 ARG HG3 1 91 VAL H . . 4.690 4.772 4.739 4.832 0.142 14 0 "[ . 1 . 2]" 1 2396 1 91 VAL H 1 91 VAL HB . . 3.520 3.135 2.018 3.611 0.091 18 0 "[ . 1 . 2]" 1 2397 1 91 VAL H 1 91 VAL QG . . 3.390 2.151 1.859 2.849 . 0 0 "[ . 1 . 2]" 1 2398 1 91 VAL H 1 92 VAL H . . 3.380 2.984 2.728 3.198 . 0 0 "[ . 1 . 2]" 1 2399 1 91 VAL HA 1 91 VAL QG . . 3.330 2.302 2.152 2.421 . 0 0 "[ . 1 . 2]" 1 2400 1 91 VAL HA 1 93 GLU H . . 5.500 4.783 4.570 5.016 . 0 0 "[ . 1 . 2]" 1 2401 1 91 VAL HA 1 94 GLN H . . 4.330 3.826 3.429 4.227 . 0 0 "[ . 1 . 2]" 1 2402 1 91 VAL HA 1 94 GLN HG3 . . 4.920 2.849 2.444 3.908 . 0 0 "[ . 1 . 2]" 1 2403 1 91 VAL HB 1 92 VAL H . . 3.700 3.540 2.415 3.779 0.079 11 0 "[ . 1 . 2]" 1 2404 1 91 VAL HB 1 95 MET ME . . 3.640 3.017 2.184 3.768 0.128 7 0 "[ . 1 . 2]" 1 2405 1 91 VAL QG 1 92 VAL H . . 3.610 2.056 1.836 2.696 . 0 0 "[ . 1 . 2]" 1 2406 1 91 VAL QG 1 92 VAL HA . . 3.740 3.328 3.098 3.481 . 0 0 "[ . 1 . 2]" 1 2407 1 91 VAL QG 1 92 VAL QG . . 3.680 2.084 1.950 2.384 . 0 0 "[ . 1 . 2]" 1 2408 1 91 VAL QG 1 94 GLN H . . 5.500 4.785 4.455 4.970 . 0 0 "[ . 1 . 2]" 1 2409 1 91 VAL QG 1 94 GLN HG2 . . 4.950 4.607 4.384 5.686 0.736 14 2 "[ . 1 +- 2]" 1 2410 1 91 VAL QG 1 95 MET H . . 5.140 4.632 3.966 4.783 . 0 0 "[ . 1 . 2]" 1 2411 1 91 VAL QG 1 95 MET ME . . 3.200 2.150 1.688 2.841 . 0 0 "[ . 1 . 2]" 1 2412 1 91 VAL QG 1 95 MET HG2 . . 5.500 4.905 4.148 5.185 . 0 0 "[ . 1 . 2]" 1 2413 1 91 VAL QG 1 95 MET HG3 . . 4.640 3.905 3.266 4.603 . 0 0 "[ . 1 . 2]" 1 2414 1 92 VAL H 1 92 VAL HB . . 3.380 2.537 2.163 3.462 0.082 20 0 "[ . 1 . 2]" 1 2415 1 92 VAL H 1 92 VAL QG . . 3.360 2.121 1.834 2.285 . 0 0 "[ . 1 . 2]" 1 2416 1 92 VAL H 1 93 GLU H . . 3.750 2.767 2.636 2.969 . 0 0 "[ . 1 . 2]" 1 2417 1 92 VAL H 1 94 GLN H . . 5.300 4.398 4.227 4.586 . 0 0 "[ . 1 . 2]" 1 2418 1 92 VAL H 1 95 MET ME . . 4.520 3.585 3.358 4.187 . 0 0 "[ . 1 . 2]" 1 2419 1 92 VAL HA 1 92 VAL QG . . 3.220 2.219 2.109 2.610 . 0 0 "[ . 1 . 2]" 1 2420 1 92 VAL HA 1 94 GLN H . . 5.170 4.543 4.394 4.759 . 0 0 "[ . 1 . 2]" 1 2421 1 92 VAL HA 1 95 MET H . . 3.740 3.431 3.198 3.543 . 0 0 "[ . 1 . 2]" 1 2422 1 92 VAL HA 1 95 MET HA . . 5.160 5.226 5.138 5.254 0.094 15 0 "[ . 1 . 2]" 1 2423 1 92 VAL HA 1 95 MET HB2 . . 3.690 2.327 2.138 2.473 . 0 0 "[ . 1 . 2]" 1 2424 1 92 VAL HA 1 95 MET HB3 . . 4.490 3.893 3.557 4.100 . 0 0 "[ . 1 . 2]" 1 2425 1 92 VAL HA 1 95 MET ME . . 2.970 2.180 2.049 2.474 . 0 0 "[ . 1 . 2]" 1 2426 1 92 VAL HA 1 95 MET HG2 . . 5.500 5.007 4.523 5.310 . 0 0 "[ . 1 . 2]" 1 2427 1 92 VAL HA 1 95 MET HG3 . . 4.860 4.017 3.653 5.275 0.415 15 0 "[ . 1 . 2]" 1 2428 1 92 VAL HB 1 93 GLU H . . 3.960 2.956 2.442 4.054 0.094 19 0 "[ . 1 . 2]" 1 2429 1 92 VAL QG 1 93 GLU H . . 4.220 3.133 2.271 3.627 . 0 0 "[ . 1 . 2]" 1 2430 1 92 VAL QG 1 94 GLN H . . 5.500 4.785 4.506 4.951 . 0 0 "[ . 1 . 2]" 1 2431 1 92 VAL QG 1 95 MET ME . . 3.910 2.540 2.181 3.395 . 0 0 "[ . 1 . 2]" 1 2432 1 92 VAL QG 1 96 CYS H . . 4.590 3.931 3.703 4.231 . 0 0 "[ . 1 . 2]" 1 2433 1 92 VAL QG 1 96 CYS HA . . 5.500 5.012 4.658 5.411 . 0 0 "[ . 1 . 2]" 1 2434 1 93 GLU H 1 93 GLU HB2 . . 3.250 2.364 2.094 2.754 . 0 0 "[ . 1 . 2]" 1 2435 1 93 GLU H 1 93 GLU HB3 . . 3.300 2.687 2.316 3.389 0.089 13 0 "[ . 1 . 2]" 1 2436 1 93 GLU H 1 93 GLU HG2 . . 4.290 4.349 3.995 4.536 0.246 19 0 "[ . 1 . 2]" 1 2437 1 93 GLU H 1 94 GLN H . . 3.680 2.974 2.802 3.297 . 0 0 "[ . 1 . 2]" 1 2438 1 93 GLU HA 1 93 GLU HG2 . . 3.820 2.751 2.272 3.456 . 0 0 "[ . 1 . 2]" 1 2439 1 93 GLU HA 1 93 GLU HG3 . . 3.760 2.885 2.427 3.470 . 0 0 "[ . 1 . 2]" 1 2440 1 93 GLU HA 1 96 CYS H . . 4.460 3.765 3.548 4.091 . 0 0 "[ . 1 . 2]" 1 2441 1 93 GLU HA 1 96 CYS HB3 . . 4.700 4.185 2.667 4.929 0.229 13 0 "[ . 1 . 2]" 1 2442 1 93 GLU HA 1 97 VAL H . . 4.820 4.151 3.847 4.629 . 0 0 "[ . 1 . 2]" 1 2443 1 93 GLU HB2 1 94 GLN H . . 4.290 3.626 2.505 4.098 . 0 0 "[ . 1 . 2]" 1 2444 1 93 GLU HB3 1 94 GLN H . . 3.060 2.484 2.326 2.806 . 0 0 "[ . 1 . 2]" 1 2445 1 93 GLU HG2 1 94 GLN H . . 4.940 3.977 3.220 4.861 . 0 0 "[ . 1 . 2]" 1 2446 1 93 GLU HG3 1 94 GLN H . . 5.050 4.703 4.059 5.023 . 0 0 "[ . 1 . 2]" 1 2447 1 94 GLN H 1 94 GLN HB3 . . 3.400 2.764 2.534 3.130 . 0 0 "[ . 1 . 2]" 1 2448 1 94 GLN H 1 94 GLN HE21 . . 4.840 4.362 3.802 4.798 . 0 0 "[ . 1 . 2]" 1 2449 1 94 GLN H 1 94 GLN HG2 . . 3.830 3.171 2.676 3.612 . 0 0 "[ . 1 . 2]" 1 2450 1 94 GLN H 1 94 GLN HG3 . . 3.870 2.554 2.216 3.916 0.046 15 0 "[ . 1 . 2]" 1 2451 1 94 GLN H 1 95 MET H . . 3.660 2.584 2.303 3.230 . 0 0 "[ . 1 . 2]" 1 2452 1 94 GLN H 1 96 CYS H . . 4.950 4.127 3.846 4.383 . 0 0 "[ . 1 . 2]" 1 2453 1 94 GLN H 1 97 VAL QG . . 5.350 4.282 3.677 4.480 . 0 0 "[ . 1 . 2]" 1 2454 1 94 GLN HA 1 94 GLN HE21 . . 5.500 3.988 2.751 4.434 . 0 0 "[ . 1 . 2]" 1 2455 1 94 GLN HA 1 94 GLN HE22 . . 5.500 5.248 4.077 5.576 0.076 7 0 "[ . 1 . 2]" 1 2456 1 94 GLN HA 1 94 GLN HG3 . . 3.790 3.656 3.521 3.794 0.004 18 0 "[ . 1 . 2]" 1 2457 1 94 GLN HA 1 96 CYS H . . 5.220 4.205 3.803 4.522 . 0 0 "[ . 1 . 2]" 1 2458 1 94 GLN HA 1 97 VAL H . . 3.900 3.107 2.621 3.681 . 0 0 "[ . 1 . 2]" 1 2459 1 94 GLN HA 1 97 VAL HA . . 5.500 4.915 4.371 5.586 0.086 15 0 "[ . 1 . 2]" 1 2460 1 94 GLN HA 1 97 VAL HB . . 3.450 2.270 2.019 3.566 0.116 18 0 "[ . 1 . 2]" 1 2461 1 94 GLN HA 1 97 VAL QG . . 3.760 2.515 1.795 3.229 . 0 0 "[ . 1 . 2]" 1 2462 1 94 GLN HA 1 98 THR H . . 4.650 4.096 3.706 4.460 . 0 0 "[ . 1 . 2]" 1 2463 1 94 GLN HB2 1 94 GLN HG3 . . 3.010 2.837 2.165 2.971 . 0 0 "[ . 1 . 2]" 1 2464 1 94 GLN HB2 1 95 MET H . . 3.950 3.933 2.923 4.046 0.096 18 0 "[ . 1 . 2]" 1 2465 1 94 GLN HB3 1 95 MET H . . 5.090 3.981 2.197 4.258 . 0 0 "[ . 1 . 2]" 1 2466 1 94 GLN HB3 1 97 VAL QG . . 5.500 3.978 3.066 5.357 . 0 0 "[ . 1 . 2]" 1 2467 1 94 GLN HE21 1 95 MET HB2 . . 5.110 4.425 3.530 5.193 0.083 15 0 "[ . 1 . 2]" 1 2468 1 94 GLN HE21 1 97 VAL QG . . 5.500 4.929 3.361 5.167 . 0 0 "[ . 1 . 2]" 1 2469 1 94 GLN HE21 1 98 THR H . . 5.500 4.622 3.783 5.057 . 0 0 "[ . 1 . 2]" 1 2470 1 94 GLN HE21 1 98 THR MG . . 5.500 5.134 4.173 5.592 0.092 20 0 "[ . 1 . 2]" 1 2471 1 94 GLN HG2 1 95 MET H . . 4.880 4.137 3.821 4.733 . 0 0 "[ . 1 . 2]" 1 2472 1 94 GLN HG3 1 95 MET H . . 4.650 2.662 2.287 4.722 0.072 14 0 "[ . 1 . 2]" 1 2473 1 94 GLN HG3 1 97 VAL QG . . 5.500 5.182 4.344 5.621 0.121 14 0 "[ . 1 . 2]" 1 2474 1 95 MET H 1 95 MET ME . . 4.110 3.821 3.228 4.173 0.063 20 0 "[ . 1 . 2]" 1 2475 1 95 MET H 1 95 MET HG2 . . 4.330 3.772 3.589 3.992 . 0 0 "[ . 1 . 2]" 1 2476 1 95 MET H 1 95 MET HG3 . . 3.540 2.781 2.430 3.143 . 0 0 "[ . 1 . 2]" 1 2477 1 95 MET H 1 96 CYS H . . 3.610 2.686 2.529 2.939 . 0 0 "[ . 1 . 2]" 1 2478 1 95 MET HA 1 95 MET HG2 . . 3.740 2.408 2.210 3.366 . 0 0 "[ . 1 . 2]" 1 2479 1 95 MET HA 1 98 THR H . . 4.150 3.517 3.248 4.089 . 0 0 "[ . 1 . 2]" 1 2480 1 95 MET HA 1 98 THR HB . . 3.670 2.968 2.612 3.723 0.053 18 0 "[ . 1 . 2]" 1 2481 1 95 MET HA 1 98 THR MG . . 4.420 4.183 3.859 4.499 0.079 10 0 "[ . 1 . 2]" 1 2482 1 95 MET HA 1 99 GLN H . . 5.150 4.157 3.877 4.502 . 0 0 "[ . 1 . 2]" 1 2483 1 95 MET HB2 1 95 MET ME . . 3.110 2.285 2.040 2.436 . 0 0 "[ . 1 . 2]" 1 2484 1 95 MET HB2 1 96 CYS H . . 4.060 2.841 2.553 3.307 . 0 0 "[ . 1 . 2]" 1 2485 1 95 MET HB3 1 96 CYS H . . 4.570 3.579 3.350 4.055 . 0 0 "[ . 1 . 2]" 1 2486 1 95 MET ME 1 95 MET HG3 . . 3.800 2.697 2.411 3.426 . 0 0 "[ . 1 . 2]" 1 2487 1 95 MET ME 1 96 CYS H . . 4.620 4.608 4.386 4.728 0.108 18 0 "[ . 1 . 2]" 1 2488 1 95 MET HG2 1 96 CYS H . . 5.500 5.136 4.979 5.353 . 0 0 "[ . 1 . 2]" 1 2489 1 95 MET HG2 1 98 THR HB . . 5.400 4.889 4.281 5.932 0.532 15 1 "[ . 1 + 2]" 1 2490 1 96 CYS H 1 96 CYS HB2 . . 3.380 2.274 2.140 2.567 . 0 0 "[ . 1 . 2]" 1 2491 1 96 CYS H 1 96 CYS HB3 . . 3.930 3.282 2.352 3.476 . 0 0 "[ . 1 . 2]" 1 2492 1 96 CYS H 1 97 VAL H . . 3.320 2.547 2.402 2.711 . 0 0 "[ . 1 . 2]" 1 2493 1 96 CYS H 1 97 VAL QG . . 4.520 4.154 3.768 4.260 . 0 0 "[ . 1 . 2]" 1 2494 1 96 CYS H 1 98 THR H . . 4.340 4.207 4.024 4.409 0.069 17 0 "[ . 1 . 2]" 1 2495 1 96 CYS HA 1 97 VAL HA . . 5.500 4.878 4.731 5.067 . 0 0 "[ . 1 . 2]" 1 2496 1 96 CYS HA 1 99 GLN H . . 4.420 3.096 2.776 3.468 . 0 0 "[ . 1 . 2]" 1 2497 1 96 CYS HA 1 99 GLN HA . . 5.290 5.012 4.680 5.336 0.046 18 0 "[ . 1 . 2]" 1 2498 1 96 CYS HA 1 99 GLN HB2 . . 4.380 3.087 2.589 3.455 . 0 0 "[ . 1 . 2]" 1 2499 1 96 CYS HA 1 99 GLN HB3 . . 4.080 2.425 2.205 2.745 . 0 0 "[ . 1 . 2]" 1 2500 1 96 CYS HA 1 100 TYR H . . 5.030 3.708 3.335 4.155 . 0 0 "[ . 1 . 2]" 1 2501 1 96 CYS HB2 1 97 VAL H . . 4.550 3.153 2.205 3.971 . 0 0 "[ . 1 . 2]" 1 2502 1 96 CYS HB3 1 97 VAL H . . 4.480 3.329 2.656 3.741 . 0 0 "[ . 1 . 2]" 1 2503 1 96 CYS HB3 1 97 VAL HB . . 5.500 5.501 4.813 5.925 0.425 19 0 "[ . 1 . 2]" 1 2504 1 96 CYS HB3 1 97 VAL QG . . 4.520 4.109 3.544 4.611 0.091 19 0 "[ . 1 . 2]" 1 2505 1 96 CYS HB3 1 98 THR H . . 5.500 5.579 5.207 5.899 0.399 17 0 "[ . 1 . 2]" 1 2506 1 96 CYS HB3 1 99 GLN HB3 . . 5.160 4.571 4.233 5.116 . 0 0 "[ . 1 . 2]" 1 2507 1 97 VAL H 1 97 VAL HB . . 3.420 2.299 2.114 3.473 0.053 18 0 "[ . 1 . 2]" 1 2508 1 97 VAL H 1 97 VAL QG . . 3.170 2.328 2.244 2.409 . 0 0 "[ . 1 . 2]" 1 2509 1 97 VAL H 1 98 THR H . . 3.580 2.920 2.741 3.100 . 0 0 "[ . 1 . 2]" 1 2510 1 97 VAL H 1 98 THR HB . . 5.310 4.907 4.472 5.140 . 0 0 "[ . 1 . 2]" 1 2511 1 97 VAL H 1 99 GLN H . . 5.500 4.186 3.987 4.351 . 0 0 "[ . 1 . 2]" 1 2512 1 97 VAL HA 1 97 VAL QG . . 3.140 2.198 2.102 2.416 . 0 0 "[ . 1 . 2]" 1 2513 1 97 VAL HA 1 98 THR HA . . 5.500 4.761 4.634 4.857 . 0 0 "[ . 1 . 2]" 1 2514 1 97 VAL HA 1 99 GLN H . . 5.500 4.605 4.334 4.755 . 0 0 "[ . 1 . 2]" 1 2515 1 97 VAL HA 1 100 TYR H . . 4.350 3.590 3.427 3.813 . 0 0 "[ . 1 . 2]" 1 2516 1 97 VAL HA 1 100 TYR HB2 . . 4.230 3.620 3.354 4.068 . 0 0 "[ . 1 . 2]" 1 2517 1 97 VAL HA 1 100 TYR HB3 . . 4.040 2.743 2.582 3.019 . 0 0 "[ . 1 . 2]" 1 2518 1 97 VAL HA 1 100 TYR QD . . 5.130 4.046 3.360 4.304 . 0 0 "[ . 1 . 2]" 1 2519 1 97 VAL HA 1 101 GLN HG2 . . 5.500 4.934 3.894 5.572 0.072 19 0 "[ . 1 . 2]" 1 2520 1 97 VAL HB 1 98 THR H . . 3.500 2.708 2.564 3.569 0.069 18 0 "[ . 1 . 2]" 1 2521 1 97 VAL HB 1 98 THR HA . . 5.370 4.698 4.453 4.849 . 0 0 "[ . 1 . 2]" 1 2522 1 97 VAL HB 1 98 THR HB . . 4.780 4.797 4.682 4.887 0.107 18 0 "[ . 1 . 2]" 1 2523 1 97 VAL QG 1 98 THR H . . 3.760 2.863 2.147 3.054 . 0 0 "[ . 1 . 2]" 1 2524 1 97 VAL QG 1 98 THR HA . . 4.210 3.234 3.091 3.371 . 0 0 "[ . 1 . 2]" 1 2525 1 97 VAL QG 1 98 THR HB . . 5.330 4.324 2.675 4.642 . 0 0 "[ . 1 . 2]" 1 2526 1 97 VAL QG 1 98 THR MG . . 4.620 4.498 3.897 4.628 0.008 10 0 "[ . 1 . 2]" 1 2527 1 97 VAL QG 1 99 GLN H . . 5.500 4.587 4.097 4.728 . 0 0 "[ . 1 . 2]" 1 2528 1 97 VAL QG 1 100 TYR HB2 . . 5.500 4.666 4.467 5.132 . 0 0 "[ . 1 . 2]" 1 2529 1 97 VAL QG 1 100 TYR HB3 . . 5.370 3.861 3.677 4.214 . 0 0 "[ . 1 . 2]" 1 2530 1 97 VAL QG 1 100 TYR QD . . 4.570 4.129 3.781 4.337 . 0 0 "[ . 1 . 2]" 1 2531 1 97 VAL QG 1 101 GLN H . . 5.400 4.143 3.936 4.393 . 0 0 "[ . 1 . 2]" 1 2532 1 97 VAL QG 1 101 GLN HB3 . . 5.500 5.228 4.872 5.468 . 0 0 "[ . 1 . 2]" 1 2533 1 97 VAL QG 1 101 GLN HE21 . . 3.900 2.841 2.153 3.194 . 0 0 "[ . 1 . 2]" 1 2534 1 97 VAL QG 1 101 GLN HE22 . . 4.480 3.991 3.248 4.497 0.017 6 0 "[ . 1 . 2]" 1 2535 1 97 VAL QG 1 101 GLN HG2 . . 4.680 3.783 3.109 4.272 . 0 0 "[ . 1 . 2]" 1 2536 1 97 VAL QG 1 101 GLN HG3 . . 4.270 2.948 2.556 3.188 . 0 0 "[ . 1 . 2]" 1 2537 1 98 THR H 1 98 THR HB . . 3.370 2.272 1.812 2.398 . 0 0 "[ . 1 . 2]" 1 2538 1 98 THR H 1 98 THR MG . . 3.880 3.675 3.322 3.742 . 0 0 "[ . 1 . 2]" 1 2539 1 98 THR H 1 99 GLN H . . 3.830 2.651 2.388 2.733 . 0 0 "[ . 1 . 2]" 1 2540 1 98 THR H 1 99 GLN HA . . 5.170 5.229 5.068 5.254 0.084 14 0 "[ . 1 . 2]" 1 2541 1 98 THR H 1 100 TYR H . . 5.500 4.153 3.955 4.460 . 0 0 "[ . 1 . 2]" 1 2542 1 98 THR HA 1 98 THR MG . . 3.160 2.562 2.436 2.896 . 0 0 "[ . 1 . 2]" 1 2543 1 98 THR HA 1 101 GLN H . . 4.350 3.317 2.880 3.668 . 0 0 "[ . 1 . 2]" 1 2544 1 98 THR HA 1 101 GLN HB2 . . 3.860 2.665 2.239 2.886 . 0 0 "[ . 1 . 2]" 1 2545 1 98 THR HA 1 101 GLN HB3 . . 4.290 4.271 3.745 4.371 0.081 12 0 "[ . 1 . 2]" 1 2546 1 98 THR HA 1 101 GLN HE21 . . 5.500 4.139 2.204 5.544 0.044 3 0 "[ . 1 . 2]" 1 2547 1 98 THR HA 1 101 GLN HG2 . . 4.680 4.433 3.618 4.768 0.088 8 0 "[ . 1 . 2]" 1 2548 1 98 THR HA 1 101 GLN HG3 . . 4.670 2.987 2.267 3.345 . 0 0 "[ . 1 . 2]" 1 2549 1 98 THR HA 1 102 LYS H . . 5.070 4.519 4.029 5.008 . 0 0 "[ . 1 . 2]" 1 2550 1 98 THR HA 1 102 LYS QE . . 4.640 4.309 3.578 4.726 0.086 16 0 "[ . 1 . 2]" 1 2551 1 98 THR HB 1 99 GLN H . . 3.780 2.734 2.521 3.073 . 0 0 "[ . 1 . 2]" 1 2552 1 98 THR HB 1 99 GLN HA . . 5.160 4.539 4.330 5.176 0.016 18 0 "[ . 1 . 2]" 1 2553 1 98 THR HB 1 102 LYS QE . . 5.390 4.322 4.011 5.163 . 0 0 "[ . 1 . 2]" 1 2554 1 98 THR MG 1 99 GLN H . . 4.130 3.408 2.986 3.585 . 0 0 "[ . 1 . 2]" 1 2555 1 98 THR MG 1 99 GLN HA . . 4.390 3.523 3.184 3.665 . 0 0 "[ . 1 . 2]" 1 2556 1 98 THR MG 1 101 GLN H . . 5.500 4.842 4.701 5.119 . 0 0 "[ . 1 . 2]" 1 2557 1 98 THR MG 1 101 GLN HB2 . . 4.940 3.912 3.509 4.163 . 0 0 "[ . 1 . 2]" 1 2558 1 98 THR MG 1 102 LYS H . . 5.030 4.669 4.154 5.089 0.059 11 0 "[ . 1 . 2]" 1 2559 1 98 THR MG 1 102 LYS QD . . 3.680 3.557 3.167 3.785 0.105 8 0 "[ . 1 . 2]" 1 2560 1 98 THR MG 1 102 LYS QE . . 3.710 2.289 1.883 2.922 . 0 0 "[ . 1 . 2]" 1 2561 1 98 THR MG 1 102 LYS HG3 . . 4.050 3.589 3.028 4.239 0.189 19 0 "[ . 1 . 2]" 1 2562 1 99 GLN H 1 99 GLN HB2 . . 3.790 2.418 2.301 2.532 . 0 0 "[ . 1 . 2]" 1 2563 1 99 GLN H 1 99 GLN HB3 . . 3.990 2.647 2.465 2.796 . 0 0 "[ . 1 . 2]" 1 2564 1 99 GLN H 1 100 TYR H . . 4.070 2.733 2.581 2.872 . 0 0 "[ . 1 . 2]" 1 2565 1 99 GLN HA 1 99 GLN HE21 . . 4.950 3.686 2.545 4.461 . 0 0 "[ . 1 . 2]" 1 2566 1 99 GLN HA 1 99 GLN HE22 . . 5.020 3.871 3.226 4.412 . 0 0 "[ . 1 . 2]" 1 2567 1 99 GLN HA 1 102 LYS H . . 4.160 3.642 3.303 3.873 . 0 0 "[ . 1 . 2]" 1 2568 1 99 GLN HA 1 102 LYS HB2 . . 3.720 3.175 2.703 3.775 0.055 19 0 "[ . 1 . 2]" 1 2569 1 99 GLN HA 1 102 LYS QD . . 4.100 3.842 2.154 4.201 0.101 19 0 "[ . 1 . 2]" 1 2570 1 99 GLN HA 1 102 LYS QE . . 5.500 2.344 1.909 3.439 . 0 0 "[ . 1 . 2]" 1 2571 1 99 GLN HA 1 102 LYS HG2 . . 5.210 5.032 2.289 5.287 0.077 14 0 "[ . 1 . 2]" 1 2572 1 99 GLN HA 1 102 LYS HG3 . . 5.280 3.778 3.432 4.008 . 0 0 "[ . 1 . 2]" 1 2573 1 99 GLN HA 1 103 GLU H . . 5.250 4.118 3.881 4.435 . 0 0 "[ . 1 . 2]" 1 2574 1 99 GLN HA 1 103 GLU HG2 . . 5.500 4.286 3.757 5.761 0.261 20 0 "[ . 1 . 2]" 1 2575 1 99 GLN HB2 1 100 TYR H . . 5.220 3.908 3.770 4.036 . 0 0 "[ . 1 . 2]" 1 2576 1 99 GLN HB3 1 100 TYR H . . 4.410 2.738 2.512 2.926 . 0 0 "[ . 1 . 2]" 1 2577 1 99 GLN HE21 1 102 LYS HB2 . . 5.500 3.985 2.620 5.192 . 0 0 "[ . 1 . 2]" 1 2578 1 99 GLN HE21 1 102 LYS QE . . 5.500 4.110 2.644 5.285 . 0 0 "[ . 1 . 2]" 1 2579 1 99 GLN HE21 1 103 GLU H . . 5.500 4.360 2.966 5.505 0.005 12 0 "[ . 1 . 2]" 1 2580 1 99 GLN HE21 1 103 GLU HG2 . . 4.810 2.629 1.732 3.865 . 0 0 "[ . 1 . 2]" 1 2581 1 99 GLN HE21 1 103 GLU HG3 . . 4.900 3.055 2.134 4.044 . 0 0 "[ . 1 . 2]" 1 2582 1 99 GLN HE22 1 102 LYS HB2 . . 5.370 4.102 3.088 4.865 . 0 0 "[ . 1 . 2]" 1 2583 1 99 GLN HE22 1 102 LYS HB3 . . 5.500 4.808 3.899 5.544 0.044 16 0 "[ . 1 . 2]" 1 2584 1 99 GLN HE22 1 102 LYS QE . . 4.890 3.539 2.356 4.965 0.075 3 0 "[ . 1 . 2]" 1 2585 1 99 GLN HE22 1 103 GLU HG2 . . 5.500 3.799 2.910 4.775 . 0 0 "[ . 1 . 2]" 1 2586 1 99 GLN HE22 1 103 GLU HG3 . . 5.500 4.518 3.739 5.557 0.057 2 0 "[ . 1 . 2]" 1 2587 1 99 GLN HG3 1 100 TYR H . . 5.500 4.150 3.874 4.448 . 0 0 "[ . 1 . 2]" 1 2588 1 100 TYR H 1 100 TYR HB2 . . 3.530 2.533 2.407 2.738 . 0 0 "[ . 1 . 2]" 1 2589 1 100 TYR H 1 100 TYR HB3 . . 3.760 2.456 2.255 2.567 . 0 0 "[ . 1 . 2]" 1 2590 1 100 TYR H 1 100 TYR QD . . 4.260 4.189 4.117 4.232 . 0 0 "[ . 1 . 2]" 1 2591 1 100 TYR H 1 101 GLN H . . 3.860 2.786 2.640 2.967 . 0 0 "[ . 1 . 2]" 1 2592 1 100 TYR H 1 102 LYS QE . . 5.500 5.127 4.740 5.595 0.095 8 0 "[ . 1 . 2]" 1 2593 1 100 TYR H 1 103 GLU H . . 5.500 4.724 4.531 5.062 . 0 0 "[ . 1 . 2]" 1 2594 1 100 TYR HA 1 103 GLU H . . 4.950 3.316 3.038 3.612 . 0 0 "[ . 1 . 2]" 1 2595 1 100 TYR HA 1 104 SER H . . 4.880 3.351 2.971 3.758 . 0 0 "[ . 1 . 2]" 1 2596 1 100 TYR HA 1 104 SER QB . . 5.500 4.296 3.243 5.140 . 0 0 "[ . 1 . 2]" 1 2597 1 100 TYR HB2 1 101 GLN H . . 4.000 3.885 3.747 4.066 0.066 14 0 "[ . 1 . 2]" 1 2598 1 100 TYR HB2 1 103 GLU HB2 . . 5.210 4.864 4.301 5.261 0.051 19 0 "[ . 1 . 2]" 1 2599 1 100 TYR HB3 1 101 GLN H . . 3.990 2.542 2.389 2.761 . 0 0 "[ . 1 . 2]" 1 2600 1 100 TYR QD 1 101 GLN H . . 4.320 3.492 3.100 3.728 . 0 0 "[ . 1 . 2]" 1 2601 1 100 TYR QD 1 101 GLN HA . . 4.610 3.572 3.323 3.892 . 0 0 "[ . 1 . 2]" 1 2602 1 100 TYR QD 1 101 GLN HG2 . . 4.600 3.151 2.744 3.698 . 0 0 "[ . 1 . 2]" 1 2603 1 100 TYR QD 1 101 GLN HG3 . . 4.870 4.067 2.659 4.826 . 0 0 "[ . 1 . 2]" 1 2604 1 100 TYR QE 1 101 GLN HA . . 4.910 4.797 4.406 4.992 0.082 3 0 "[ . 1 . 2]" 1 2605 1 100 TYR QE 1 104 SER QB . . 5.120 3.686 2.974 4.433 . 0 0 "[ . 1 . 2]" 1 2606 1 101 GLN H 1 101 GLN HB2 . . 3.510 2.441 2.305 2.526 . 0 0 "[ . 1 . 2]" 1 2607 1 101 GLN H 1 101 GLN HB3 . . 3.820 3.587 3.498 3.646 . 0 0 "[ . 1 . 2]" 1 2608 1 101 GLN H 1 101 GLN HE21 . . 5.500 4.849 3.835 5.275 . 0 0 "[ . 1 . 2]" 1 2609 1 101 GLN H 1 101 GLN HG2 . . 4.100 2.894 2.231 3.442 . 0 0 "[ . 1 . 2]" 1 2610 1 101 GLN H 1 101 GLN HG3 . . 3.690 2.719 2.171 3.269 . 0 0 "[ . 1 . 2]" 1 2611 1 101 GLN H 1 102 LYS H . . 3.670 2.828 2.695 2.931 . 0 0 "[ . 1 . 2]" 1 2612 1 101 GLN H 1 102 LYS HG3 . . 5.500 4.695 4.314 6.187 0.687 19 1 "[ . 1 . +2]" 1 2613 1 101 GLN H 1 103 GLU H . . 5.150 4.511 4.269 4.791 . 0 0 "[ . 1 . 2]" 1 2614 1 101 GLN H 1 103 GLU HB2 . . 5.500 5.508 5.352 5.574 0.074 2 0 "[ . 1 . 2]" 1 2615 1 101 GLN HA 1 101 GLN HE21 . . 5.500 5.153 4.755 5.404 . 0 0 "[ . 1 . 2]" 1 2616 1 101 GLN HA 1 101 GLN HG2 . . 3.770 2.401 2.224 2.723 . 0 0 "[ . 1 . 2]" 1 2617 1 101 GLN HA 1 101 GLN HG3 . . 3.890 3.462 3.010 3.792 . 0 0 "[ . 1 . 2]" 1 2618 1 101 GLN HA 1 102 LYS HA . . 4.730 4.722 4.577 4.809 0.079 19 0 "[ . 1 . 2]" 1 2619 1 101 GLN HA 1 104 SER H . . 4.840 4.026 3.764 4.247 . 0 0 "[ . 1 . 2]" 1 2620 1 101 GLN HA 1 104 SER QB . . 4.450 3.241 2.790 3.784 . 0 0 "[ . 1 . 2]" 1 2621 1 101 GLN HA 1 105 GLN H . . 4.880 4.498 3.906 4.946 0.066 18 0 "[ . 1 . 2]" 1 2622 1 101 GLN HB2 1 102 LYS H . . 3.870 3.019 2.542 3.457 . 0 0 "[ . 1 . 2]" 1 2623 1 101 GLN HB3 1 101 GLN HE22 . . 5.500 4.393 3.886 4.649 . 0 0 "[ . 1 . 2]" 1 2624 1 101 GLN HB3 1 102 LYS H . . 4.010 3.826 3.500 4.088 0.078 16 0 "[ . 1 . 2]" 1 2625 1 101 GLN HE22 1 101 GLN HG2 . . 4.070 3.868 3.656 4.111 0.041 8 0 "[ . 1 . 2]" 1 2626 1 101 GLN HG2 1 102 LYS H . . 5.000 4.878 4.543 5.068 0.068 8 0 "[ . 1 . 2]" 1 2627 1 101 GLN HG2 1 104 SER QB . . 5.500 5.004 4.690 5.323 . 0 0 "[ . 1 . 2]" 1 2628 1 101 GLN HG3 1 102 LYS H . . 5.060 4.828 4.529 5.132 0.072 7 0 "[ . 1 . 2]" 1 2629 1 102 LYS H 1 102 LYS HB2 . . 3.300 2.492 2.332 2.892 . 0 0 "[ . 1 . 2]" 1 2630 1 102 LYS H 1 102 LYS HB3 . . 3.930 3.635 3.572 3.696 . 0 0 "[ . 1 . 2]" 1 2631 1 102 LYS H 1 102 LYS QD . . 4.430 4.121 2.285 4.521 0.091 16 0 "[ . 1 . 2]" 1 2632 1 102 LYS H 1 102 LYS QE . . 4.480 3.605 3.179 4.171 . 0 0 "[ . 1 . 2]" 1 2633 1 102 LYS H 1 102 LYS HG2 . . 4.220 3.596 2.236 4.015 . 0 0 "[ . 1 . 2]" 1 2634 1 102 LYS H 1 102 LYS HG3 . . 3.810 2.547 2.236 3.669 . 0 0 "[ . 1 . 2]" 1 2635 1 102 LYS H 1 103 GLU H . . 3.660 2.569 2.198 2.855 . 0 0 "[ . 1 . 2]" 1 2636 1 102 LYS H 1 103 GLU HB2 . . 5.500 4.586 4.241 5.124 . 0 0 "[ . 1 . 2]" 1 2637 1 102 LYS H 1 104 SER H . . 5.030 3.946 3.663 4.270 . 0 0 "[ . 1 . 2]" 1 2638 1 102 LYS H 1 104 SER QB . . 5.500 4.865 4.555 5.274 . 0 0 "[ . 1 . 2]" 1 2639 1 102 LYS HA 1 102 LYS QE . . 5.500 4.563 4.335 4.976 . 0 0 "[ . 1 . 2]" 1 2640 1 102 LYS HA 1 102 LYS HG2 . . 3.760 2.610 2.376 3.649 . 0 0 "[ . 1 . 2]" 1 2641 1 102 LYS HA 1 102 LYS HG3 . . 4.050 3.092 2.819 3.827 . 0 0 "[ . 1 . 2]" 1 2642 1 102 LYS HA 1 105 GLN H . . 4.060 3.947 3.667 4.132 0.072 8 0 "[ . 1 . 2]" 1 2643 1 102 LYS HB2 1 103 GLU H . . 3.690 2.372 2.194 2.494 . 0 0 "[ . 1 . 2]" 1 2644 1 102 LYS HG2 1 103 GLU H . . 5.030 4.866 3.638 5.013 . 0 0 "[ . 1 . 2]" 1 2645 1 102 LYS HG3 1 103 GLU H . . 5.500 4.319 4.150 4.560 . 0 0 "[ . 1 . 2]" 1 2646 1 103 GLU H 1 103 GLU HB3 . . 3.790 3.547 3.297 3.650 . 0 0 "[ . 1 . 2]" 1 2647 1 103 GLU H 1 103 GLU HG2 . . 4.290 2.409 2.070 3.540 . 0 0 "[ . 1 . 2]" 1 2648 1 103 GLU H 1 103 GLU HG3 . . 3.900 3.495 2.417 3.891 . 0 0 "[ . 1 . 2]" 1 2649 1 103 GLU H 1 104 SER H . . 3.520 2.774 2.597 2.857 . 0 0 "[ . 1 . 2]" 1 2650 1 103 GLU H 1 104 SER HA . . 5.340 5.371 5.243 5.413 0.073 7 0 "[ . 1 . 2]" 1 2651 1 103 GLU H 1 104 SER QB . . 5.500 4.623 4.396 5.059 . 0 0 "[ . 1 . 2]" 1 2652 1 103 GLU H 1 105 GLN H . . 5.500 4.517 4.259 4.715 . 0 0 "[ . 1 . 2]" 1 2653 1 103 GLU H 1 106 ALA MB . . 5.330 4.633 4.294 4.855 . 0 0 "[ . 1 . 2]" 1 2654 1 103 GLU HA 1 103 GLU HG3 . . 4.080 3.683 3.031 3.779 . 0 0 "[ . 1 . 2]" 1 2655 1 103 GLU HA 1 106 ALA H . . 3.920 3.173 2.928 3.386 . 0 0 "[ . 1 . 2]" 1 2656 1 103 GLU HA 1 106 ALA MB . . 3.360 2.391 2.136 2.559 . 0 0 "[ . 1 . 2]" 1 2657 1 103 GLU HB2 1 104 SER H . . 5.030 2.871 2.649 3.262 . 0 0 "[ . 1 . 2]" 1 2658 1 103 GLU HB2 1 106 ALA MB . . 4.870 4.808 4.539 4.970 0.100 6 0 "[ . 1 . 2]" 1 2659 1 103 GLU HB3 1 104 SER H . . 4.150 3.690 3.110 3.859 . 0 0 "[ . 1 . 2]" 1 2660 1 103 GLU HB3 1 104 SER HA . . 5.500 4.453 4.018 4.751 . 0 0 "[ . 1 . 2]" 1 2661 1 103 GLU HB3 1 106 ALA H . . 4.920 4.976 4.897 5.001 0.081 19 0 "[ . 1 . 2]" 1 2662 1 103 GLU HB3 1 107 TYR H . . 5.330 4.972 4.656 5.346 0.016 17 0 "[ . 1 . 2]" 1 2663 1 103 GLU HG2 1 106 ALA MB . . 4.690 4.619 3.538 4.798 0.108 18 0 "[ . 1 . 2]" 1 2664 1 103 GLU HG3 1 104 SER H . . 5.500 5.095 4.610 5.325 . 0 0 "[ . 1 . 2]" 1 2665 1 104 SER H 1 104 SER QB . . 3.760 2.292 2.110 2.581 . 0 0 "[ . 1 . 2]" 1 2666 1 104 SER H 1 105 GLN H . . 3.590 2.813 2.642 3.039 . 0 0 "[ . 1 . 2]" 1 2667 1 104 SER H 1 105 GLN HB3 . . 5.500 4.817 4.405 5.262 . 0 0 "[ . 1 . 2]" 1 2668 1 104 SER H 1 106 ALA H . . 5.380 3.975 3.726 4.181 . 0 0 "[ . 1 . 2]" 1 2669 1 104 SER H 1 106 ALA MB . . 5.500 4.695 4.480 4.830 . 0 0 "[ . 1 . 2]" 1 2670 1 104 SER HA 1 105 GLN HA . . 5.210 4.817 4.690 4.896 . 0 0 "[ . 1 . 2]" 1 2671 1 104 SER HA 1 107 TYR H . . 4.130 3.379 3.086 3.553 . 0 0 "[ . 1 . 2]" 1 2672 1 104 SER HA 1 107 TYR HB2 . . 4.180 4.114 3.817 4.257 0.077 3 0 "[ . 1 . 2]" 1 2673 1 104 SER HA 1 107 TYR HB3 . . 3.860 2.568 2.243 2.734 . 0 0 "[ . 1 . 2]" 1 2674 1 104 SER HA 1 107 TYR QD . . 3.960 2.261 2.036 2.707 . 0 0 "[ . 1 . 2]" 1 2675 1 104 SER HA 1 107 TYR QE . . 4.550 4.395 4.173 4.638 0.088 14 0 "[ . 1 . 2]" 1 2676 1 104 SER HA 1 108 TYR H . . 4.520 3.988 3.779 4.143 . 0 0 "[ . 1 . 2]" 1 2677 1 104 SER HA 1 108 TYR QD . . 4.030 4.005 3.821 4.117 0.087 18 0 "[ . 1 . 2]" 1 2678 1 104 SER HA 1 108 TYR QE . . 4.230 3.969 3.717 4.306 0.076 17 0 "[ . 1 . 2]" 1 2679 1 104 SER QB 1 105 GLN H . . 4.150 2.591 2.211 3.200 . 0 0 "[ . 1 . 2]" 1 2680 1 104 SER QB 1 105 GLN HA . . 5.260 3.976 3.619 4.363 . 0 0 "[ . 1 . 2]" 1 2681 1 104 SER QB 1 105 GLN HB3 . . 5.500 4.658 4.162 5.182 . 0 0 "[ . 1 . 2]" 1 2682 1 104 SER QB 1 107 TYR QD . . 5.200 3.501 3.126 3.800 . 0 0 "[ . 1 . 2]" 1 2683 1 104 SER QB 1 108 TYR QD . . 4.860 3.101 2.634 3.541 . 0 0 "[ . 1 . 2]" 1 2684 1 104 SER QB 1 108 TYR QE . . 4.690 2.246 1.974 2.959 . 0 0 "[ . 1 . 2]" 1 2685 1 105 GLN H 1 105 GLN HB2 . . 3.150 2.425 2.220 2.587 . 0 0 "[ . 1 . 2]" 1 2686 1 105 GLN H 1 105 GLN HB3 . . 3.130 2.384 2.236 2.700 . 0 0 "[ . 1 . 2]" 1 2687 1 105 GLN H 1 105 GLN HE21 . . 4.300 4.361 4.242 4.384 0.084 18 0 "[ . 1 . 2]" 1 2688 1 105 GLN H 1 105 GLN QG . . 4.310 3.923 3.830 3.981 . 0 0 "[ . 1 . 2]" 1 2689 1 105 GLN H 1 106 ALA MB . . 4.990 4.356 4.145 4.531 . 0 0 "[ . 1 . 2]" 1 2690 1 105 GLN H 1 107 TYR H . . 5.240 4.086 3.807 4.251 . 0 0 "[ . 1 . 2]" 1 2691 1 105 GLN H 1 107 TYR QD . . 5.050 5.057 4.866 5.134 0.084 14 0 "[ . 1 . 2]" 1 2692 1 105 GLN H 1 108 TYR QD . . 4.090 3.774 3.543 4.137 0.047 17 0 "[ . 1 . 2]" 1 2693 1 105 GLN HA 1 105 GLN HE21 . . 5.100 4.275 3.610 4.528 . 0 0 "[ . 1 . 2]" 1 2694 1 105 GLN HA 1 105 GLN QG . . 3.560 2.471 2.150 2.607 . 0 0 "[ . 1 . 2]" 1 2695 1 105 GLN HA 1 106 ALA MB . . 5.500 5.058 4.994 5.090 . 0 0 "[ . 1 . 2]" 1 2696 1 105 GLN HA 1 107 TYR H . . 4.310 4.157 3.767 4.360 0.050 11 0 "[ . 1 . 2]" 1 2697 1 105 GLN HA 1 108 TYR H . . 4.270 3.567 3.255 3.818 . 0 0 "[ . 1 . 2]" 1 2698 1 105 GLN HA 1 108 TYR HB2 . . 4.090 2.642 2.381 2.786 . 0 0 "[ . 1 . 2]" 1 2699 1 105 GLN HA 1 108 TYR HB3 . . 4.270 4.251 3.973 4.342 0.072 11 0 "[ . 1 . 2]" 1 2700 1 105 GLN HA 1 108 TYR QD . . 4.930 2.308 2.109 2.721 . 0 0 "[ . 1 . 2]" 1 2701 1 105 GLN HA 1 109 ASP H . . 4.850 3.670 3.358 3.887 . 0 0 "[ . 1 . 2]" 1 2702 1 105 GLN HB2 1 106 ALA MB . . 5.350 5.357 5.231 5.438 0.088 1 0 "[ . 1 . 2]" 1 2703 1 105 GLN HB2 1 108 TYR QD . . 5.260 4.196 4.016 4.497 . 0 0 "[ . 1 . 2]" 1 2704 1 105 GLN HB3 1 106 ALA H . . 3.640 2.806 2.674 3.325 . 0 0 "[ . 1 . 2]" 1 2705 1 105 GLN HB3 1 106 ALA HA . . 5.010 4.408 4.225 4.708 . 0 0 "[ . 1 . 2]" 1 2706 1 105 GLN HB3 1 106 ALA MB . . 4.580 4.026 3.844 4.275 . 0 0 "[ . 1 . 2]" 1 2707 1 105 GLN HE21 1 106 ALA H . . 3.740 3.296 2.743 3.788 0.048 1 0 "[ . 1 . 2]" 1 2708 1 105 GLN HE21 1 106 ALA MB . . 5.070 3.385 2.783 3.968 . 0 0 "[ . 1 . 2]" 1 2709 1 105 GLN HE21 1 107 TYR H . . 5.500 5.414 4.612 5.599 0.099 15 0 "[ . 1 . 2]" 1 2710 1 105 GLN QG 1 106 ALA HA . . 5.500 4.088 3.767 5.226 . 0 0 "[ . 1 . 2]" 1 2711 1 105 GLN QG 1 108 TYR QD . . 4.860 4.347 3.739 4.567 . 0 0 "[ . 1 . 2]" 1 2712 1 105 GLN QG 1 109 ASP H . . 5.500 3.953 3.636 4.529 . 0 0 "[ . 1 . 2]" 1 2713 1 106 ALA H 1 106 ALA MB . . 2.850 2.217 2.151 2.279 . 0 0 "[ . 1 . 2]" 1 2714 1 106 ALA H 1 107 TYR H . . 3.310 2.516 2.280 2.629 . 0 0 "[ . 1 . 2]" 1 2715 1 106 ALA H 1 107 TYR HA . . 5.330 5.185 4.924 5.286 . 0 0 "[ . 1 . 2]" 1 2716 1 106 ALA H 1 107 TYR HB2 . . 5.500 5.542 5.301 5.573 0.073 15 0 "[ . 1 . 2]" 1 2717 1 106 ALA H 1 108 TYR H . . 4.970 4.317 4.080 4.551 . 0 0 "[ . 1 . 2]" 1 2718 1 106 ALA H 1 109 ASP H . . 5.290 5.001 4.858 5.272 . 0 0 "[ . 1 . 2]" 1 2719 1 106 ALA HA 1 109 ASP HA . . 4.800 4.438 3.850 4.847 0.047 17 0 "[ . 1 . 2]" 1 2720 1 106 ALA MB 1 107 TYR H . . 3.410 2.819 2.597 3.091 . 0 0 "[ . 1 . 2]" 1 2721 1 106 ALA MB 1 107 TYR HA . . 4.740 3.991 3.845 4.100 . 0 0 "[ . 1 . 2]" 1 2722 1 106 ALA MB 1 107 TYR HB2 . . 5.000 4.616 4.335 4.801 . 0 0 "[ . 1 . 2]" 1 2723 1 106 ALA MB 1 107 TYR HB3 . . 5.500 4.117 3.926 4.192 . 0 0 "[ . 1 . 2]" 1 2724 1 106 ALA MB 1 107 TYR QD . . 5.350 5.413 5.261 5.472 0.122 16 0 "[ . 1 . 2]" 1 2725 1 106 ALA MB 1 108 TYR H . . 5.450 4.859 4.573 5.073 . 0 0 "[ . 1 . 2]" 1 2726 1 106 ALA MB 1 109 ASP H . . 5.410 5.193 4.931 5.492 0.082 18 0 "[ . 1 . 2]" 1 2727 1 106 ALA MB 1 109 ASP QB . . 5.060 4.898 4.691 4.974 . 0 0 "[ . 1 . 2]" 1 2728 1 107 TYR H 1 107 TYR HB2 . . 3.270 3.183 3.006 3.328 0.058 18 0 "[ . 1 . 2]" 1 2729 1 107 TYR H 1 107 TYR HB3 . . 3.300 2.018 1.903 2.151 . 0 0 "[ . 1 . 2]" 1 2730 1 107 TYR H 1 107 TYR QD . . 3.530 3.623 3.600 3.633 0.103 1 0 "[ . 1 . 2]" 1 2731 1 107 TYR H 1 108 TYR H . . 3.440 2.544 2.325 2.778 . 0 0 "[ . 1 . 2]" 1 2732 1 107 TYR H 1 108 TYR QD . . 4.500 4.458 4.227 4.578 0.078 4 0 "[ . 1 . 2]" 1 2733 1 107 TYR H 1 109 ASP H . . 5.050 4.239 3.923 4.484 . 0 0 "[ . 1 . 2]" 1 2734 1 107 TYR HA 1 107 TYR HB2 . . 3.030 2.228 2.198 2.271 . 0 0 "[ . 1 . 2]" 1 2735 1 107 TYR HA 1 107 TYR QD . . 3.210 3.005 2.867 3.240 0.030 14 0 "[ . 1 . 2]" 1 2736 1 107 TYR HB3 1 108 TYR H . . 3.560 2.846 2.699 3.035 . 0 0 "[ . 1 . 2]" 1 2737 1 107 TYR QD 1 108 TYR H . . 3.540 2.921 2.495 3.207 . 0 0 "[ . 1 . 2]" 1 2738 1 107 TYR QD 1 108 TYR QD . . 3.970 3.485 3.179 3.659 . 0 0 "[ . 1 . 2]" 1 2739 1 107 TYR QD 1 108 TYR QE . . 3.440 3.558 3.546 3.575 0.135 16 0 "[ . 1 . 2]" 1 2740 1 107 TYR QD 1 109 ASP H . . 5.500 5.301 5.090 5.498 . 0 0 "[ . 1 . 2]" 1 2741 1 107 TYR QD 1 111 ARG QG . . 4.590 4.556 4.301 4.692 0.102 15 0 "[ . 1 . 2]" 1 2742 1 107 TYR QE 1 108 TYR H . . 4.290 4.171 3.900 4.344 0.054 16 0 "[ . 1 . 2]" 1 2743 1 107 TYR QE 1 108 TYR HA . . 3.340 3.435 3.422 3.449 0.109 18 0 "[ . 1 . 2]" 1 2744 1 107 TYR QE 1 108 TYR QD . . 3.420 3.376 3.090 3.515 0.095 4 0 "[ . 1 . 2]" 1 2745 1 107 TYR QE 1 108 TYR QE . . 2.940 2.899 2.769 2.968 0.028 15 0 "[ . 1 . 2]" 1 2746 1 107 TYR QE 1 111 ARG HB2 . . 5.500 5.278 5.047 5.544 0.044 13 0 "[ . 1 . 2]" 1 2747 1 107 TYR QE 1 111 ARG QD . . 5.200 4.150 3.154 4.829 . 0 0 "[ . 1 . 2]" 1 2748 1 107 TYR QE 1 111 ARG QG . . 4.500 3.385 3.104 3.822 . 0 0 "[ . 1 . 2]" 1 2749 1 108 TYR H 1 108 TYR HB2 . . 3.190 2.375 2.309 2.553 . 0 0 "[ . 1 . 2]" 1 2750 1 108 TYR H 1 108 TYR HB3 . . 3.600 3.520 3.448 3.594 . 0 0 "[ . 1 . 2]" 1 2751 1 108 TYR H 1 108 TYR QD . . 3.180 2.987 2.882 3.119 . 0 0 "[ . 1 . 2]" 1 2752 1 108 TYR H 1 108 TYR QE . . 4.780 4.623 4.460 4.781 0.001 12 0 "[ . 1 . 2]" 1 2753 1 108 TYR H 1 109 ASP H . . 3.360 2.934 2.776 3.100 . 0 0 "[ . 1 . 2]" 1 2754 1 108 TYR H 1 109 ASP HA . . 5.380 5.090 4.906 5.263 . 0 0 "[ . 1 . 2]" 1 2755 1 108 TYR H 1 110 GLY H . . 4.990 5.003 4.919 5.067 0.077 9 0 "[ . 1 . 2]" 1 2756 1 108 TYR H 1 111 ARG QD . . 5.500 5.408 5.011 5.607 0.107 11 0 "[ . 1 . 2]" 1 2757 1 108 TYR H 1 111 ARG QG . . 5.500 4.445 4.335 4.610 . 0 0 "[ . 1 . 2]" 1 2758 1 108 TYR HA 1 108 TYR QD . . 2.760 2.586 2.416 2.709 . 0 0 "[ . 1 . 2]" 1 2759 1 108 TYR HA 1 108 TYR QE . . 4.640 4.563 4.386 4.701 0.061 7 0 "[ . 1 . 2]" 1 2760 1 108 TYR HA 1 109 ASP HA . . 5.350 5.387 5.297 5.420 0.070 5 0 "[ . 1 . 2]" 1 2761 1 108 TYR HA 1 110 GLY H . . 3.960 3.955 3.762 4.044 0.084 3 0 "[ . 1 . 2]" 1 2762 1 108 TYR HA 1 111 ARG H . . 4.000 3.641 3.413 3.738 . 0 0 "[ . 1 . 2]" 1 2763 1 108 TYR HA 1 111 ARG HB2 . . 4.410 4.489 4.471 4.499 0.089 16 0 "[ . 1 . 2]" 1 2764 1 108 TYR HA 1 111 ARG HB3 . . 4.880 4.944 4.896 4.969 0.089 8 0 "[ . 1 . 2]" 1 2765 1 108 TYR HA 1 111 ARG QD . . 3.990 3.020 2.648 3.268 . 0 0 "[ . 1 . 2]" 1 2766 1 108 TYR HA 1 111 ARG QG . . 4.230 2.013 1.951 2.051 . 0 0 "[ . 1 . 2]" 1 2767 1 108 TYR HA 1 112 ARG H . . 4.830 4.826 4.602 4.904 0.074 19 0 "[ . 1 . 2]" 1 2768 1 108 TYR HB2 1 109 ASP H . . 3.820 2.291 2.114 2.538 . 0 0 "[ . 1 . 2]" 1 2769 1 108 TYR HB3 1 109 ASP H . . 3.900 3.105 2.927 3.327 . 0 0 "[ . 1 . 2]" 1 2770 1 108 TYR HB3 1 111 ARG H . . 5.500 3.044 2.728 3.499 . 0 0 "[ . 1 . 2]" 1 2771 1 108 TYR HB3 1 111 ARG HB2 . . 5.490 4.391 4.143 4.620 . 0 0 "[ . 1 . 2]" 1 2772 1 108 TYR HB3 1 111 ARG QG . . 5.050 2.600 2.333 2.938 . 0 0 "[ . 1 . 2]" 1 2773 1 108 TYR QD 1 109 ASP H . . 5.020 4.195 3.960 4.420 . 0 0 "[ . 1 . 2]" 1 2774 1 108 TYR QD 1 110 GLY H . . 4.540 4.569 4.416 4.636 0.096 14 0 "[ . 1 . 2]" 1 2775 1 108 TYR QD 1 111 ARG H . . 4.690 3.994 3.733 4.205 . 0 0 "[ . 1 . 2]" 1 2776 1 108 TYR QD 1 111 ARG HA . . 5.500 4.377 4.249 4.623 . 0 0 "[ . 1 . 2]" 1 2777 1 108 TYR QD 1 111 ARG HB2 . . 4.750 2.841 2.646 3.066 . 0 0 "[ . 1 . 2]" 1 2778 1 108 TYR QD 1 111 ARG HB3 . . 4.750 4.117 3.926 4.323 . 0 0 "[ . 1 . 2]" 1 2779 1 108 TYR QD 1 111 ARG QG . . 4.440 2.023 1.903 2.167 . 0 0 "[ . 1 . 2]" 1 2780 1 108 TYR QD 1 112 ARG HB3 . . 5.190 3.240 2.560 4.289 . 0 0 "[ . 1 . 2]" 1 2781 1 109 ASP H 1 109 ASP QB . . 3.070 2.848 2.720 2.987 . 0 0 "[ . 1 . 2]" 1 2782 1 109 ASP H 1 110 GLY H . . 3.360 2.897 2.764 3.038 . 0 0 "[ . 1 . 2]" 1 2783 1 109 ASP H 1 110 GLY QA . . 4.720 4.811 4.787 4.825 0.105 19 0 "[ . 1 . 2]" 1 2784 1 109 ASP H 1 111 ARG H . . 4.940 4.577 4.320 4.747 . 0 0 "[ . 1 . 2]" 1 2785 1 109 ASP H 1 111 ARG QG . . 5.500 4.571 4.450 4.761 . 0 0 "[ . 1 . 2]" 1 2786 1 109 ASP H 1 112 ARG HA . . 5.400 5.346 4.678 5.475 0.075 1 0 "[ . 1 . 2]" 1 2787 1 109 ASP H 1 112 ARG QG . . 5.500 4.357 3.972 4.636 . 0 0 "[ . 1 . 2]" 1 2788 1 109 ASP HA 1 110 GLY H . . 3.400 3.059 2.829 3.357 . 0 0 "[ . 1 . 2]" 1 2789 1 109 ASP HA 1 110 GLY QA . . 4.730 4.120 3.942 4.230 . 0 0 "[ . 1 . 2]" 1 2790 1 109 ASP HA 1 111 ARG H . . 5.240 5.067 4.802 5.288 0.048 7 0 "[ . 1 . 2]" 1 2791 1 109 ASP HA 1 112 ARG HB3 . . 4.830 4.653 4.058 4.894 0.064 3 0 "[ . 1 . 2]" 1 2792 1 109 ASP HA 1 112 ARG QG . . 5.020 4.379 3.924 4.769 . 0 0 "[ . 1 . 2]" 1 2793 1 109 ASP QB 1 110 GLY H . . 4.200 3.764 3.374 3.942 . 0 0 "[ . 1 . 2]" 1 2794 1 109 ASP QB 1 110 GLY QA . . 4.610 4.167 3.769 4.417 . 0 0 "[ . 1 . 2]" 1 2795 1 109 ASP QB 1 111 ARG H . . 5.300 4.682 4.191 5.010 . 0 0 "[ . 1 . 2]" 1 2796 1 110 GLY H 1 110 GLY QA . . 2.750 2.495 2.452 2.526 . 0 0 "[ . 1 . 2]" 1 2797 1 110 GLY H 1 111 ARG HA . . 5.500 4.533 4.317 4.728 . 0 0 "[ . 1 . 2]" 1 2798 1 110 GLY H 1 111 ARG HB3 . . 5.500 5.236 4.975 5.483 . 0 0 "[ . 1 . 2]" 1 2799 1 110 GLY H 1 111 ARG QG . . 5.310 3.548 3.124 3.976 . 0 0 "[ . 1 . 2]" 1 2800 1 110 GLY H 1 112 ARG H . . 4.940 2.684 2.508 2.799 . 0 0 "[ . 1 . 2]" 1 2801 1 110 GLY H 1 113 SER H . . 4.960 5.017 4.873 5.049 0.089 3 0 "[ . 1 . 2]" 1 2802 1 110 GLY QA 1 111 ARG H . . 3.420 2.595 2.360 2.781 . 0 0 "[ . 1 . 2]" 1 2803 1 110 GLY QA 1 111 ARG HA . . 4.310 4.032 3.987 4.115 . 0 0 "[ . 1 . 2]" 1 2804 1 110 GLY QA 1 111 ARG HB2 . . 5.500 5.578 5.460 5.607 0.107 17 0 "[ . 1 . 2]" 1 2805 1 110 GLY QA 1 111 ARG HB3 . . 5.310 4.750 4.570 4.890 . 0 0 "[ . 1 . 2]" 1 2806 1 110 GLY QA 1 111 ARG QD . . 5.070 3.798 3.114 4.333 . 0 0 "[ . 1 . 2]" 1 2807 1 110 GLY QA 1 111 ARG QG . . 4.970 4.422 4.192 4.824 . 0 0 "[ . 1 . 2]" 1 2808 1 110 GLY QA 1 112 ARG H . . 5.000 3.323 3.072 3.710 . 0 0 "[ . 1 . 2]" 1 2809 1 111 ARG H 1 111 ARG HB2 . . 3.600 3.618 3.559 3.685 0.085 13 0 "[ . 1 . 2]" 1 2810 1 111 ARG H 1 111 ARG QD . . 4.500 2.322 1.925 2.539 . 0 0 "[ . 1 . 2]" 1 2811 1 111 ARG H 1 111 ARG QG . . 3.490 2.195 1.979 2.498 . 0 0 "[ . 1 . 2]" 1 2812 1 111 ARG H 1 112 ARG H . . 3.340 2.923 2.742 3.084 . 0 0 "[ . 1 . 2]" 1 2813 1 111 ARG H 1 112 ARG HA . . 5.210 4.966 4.747 5.194 . 0 0 "[ . 1 . 2]" 1 2814 1 111 ARG H 1 112 ARG QG . . 5.500 4.401 3.925 5.119 . 0 0 "[ . 1 . 2]" 1 2815 1 111 ARG H 1 113 SER H . . 5.000 5.062 4.954 5.093 0.093 16 0 "[ . 1 . 2]" 1 2816 1 111 ARG HA 1 111 ARG HB2 . . 3.050 2.552 2.398 2.653 . 0 0 "[ . 1 . 2]" 1 2817 1 111 ARG HA 1 111 ARG QD . . 3.760 3.799 3.666 3.846 0.086 20 0 "[ . 1 . 2]" 1 2818 1 111 ARG HA 1 111 ARG QG . . 3.450 3.463 3.421 3.501 0.051 11 0 "[ . 1 . 2]" 1 2819 1 111 ARG HA 1 112 ARG H . . 2.950 3.011 2.961 3.034 0.084 5 0 "[ . 1 . 2]" 1 2820 1 111 ARG HA 1 112 ARG QG . . 5.340 4.615 4.350 5.185 . 0 0 "[ . 1 . 2]" 1 2821 1 111 ARG HA 1 113 SER H . . 4.510 3.673 3.344 3.854 . 0 0 "[ . 1 . 2]" 1 2822 1 111 ARG HB2 1 111 ARG QD . . 3.420 3.328 3.143 3.483 0.063 8 0 "[ . 1 . 2]" 1 2823 1 111 ARG HB2 1 111 ARG HE . . 5.490 3.919 3.117 4.964 . 0 0 "[ . 1 . 2]" 1 2824 1 111 ARG HB2 1 112 ARG H . . 4.360 4.356 4.298 4.411 0.051 1 0 "[ . 1 . 2]" 1 2825 1 111 ARG HB3 1 111 ARG QD . . 3.390 2.258 2.072 2.595 . 0 0 "[ . 1 . 2]" 1 2826 1 111 ARG HB3 1 111 ARG HE . . 4.980 3.461 2.399 4.622 . 0 0 "[ . 1 . 2]" 1 2827 1 111 ARG HB3 1 111 ARG QG . . 2.600 2.516 2.469 2.558 . 0 0 "[ . 1 . 2]" 1 2828 1 111 ARG QD 1 112 ARG H . . 5.360 4.803 4.521 4.968 . 0 0 "[ . 1 . 2]" 1 2829 1 111 ARG QG 1 112 ARG H . . 4.360 3.740 3.579 3.968 . 0 0 "[ . 1 . 2]" 1 2830 1 111 ARG QG 1 112 ARG HA . . 5.010 4.302 4.057 4.472 . 0 0 "[ . 1 . 2]" 1 2831 1 111 ARG QG 1 113 SER H . . 5.500 5.508 5.301 5.590 0.090 13 0 "[ . 1 . 2]" 1 2832 1 112 ARG H 1 112 ARG HB2 . . 3.540 3.602 3.575 3.627 0.087 9 0 "[ . 1 . 2]" 1 2833 1 112 ARG H 1 112 ARG HB3 . . 3.210 2.660 2.495 2.866 . 0 0 "[ . 1 . 2]" 1 2834 1 112 ARG H 1 112 ARG QD . . 4.730 3.549 1.571 4.058 . 0 0 "[ . 1 . 2]" 1 2835 1 112 ARG H 1 112 ARG QG . . 3.640 2.058 1.751 2.847 . 0 0 "[ . 1 . 2]" 1 2836 1 112 ARG H 1 113 SER H . . 3.670 2.431 2.303 2.542 . 0 0 "[ . 1 . 2]" 1 2837 1 112 ARG H 1 113 SER HA . . 4.770 4.764 4.619 4.858 0.088 19 0 "[ . 1 . 2]" 1 2838 1 112 ARG HA 1 112 ARG QD . . 3.670 3.739 3.590 3.775 0.105 4 0 "[ . 1 . 2]" 1 2839 1 112 ARG HA 1 112 ARG QG . . 3.620 3.464 3.411 3.488 . 0 0 "[ . 1 . 2]" 1 2840 1 112 ARG HA 1 113 SER QB . . 4.910 4.445 3.908 4.805 . 0 0 "[ . 1 . 2]" 1 2841 1 112 ARG HB2 1 112 ARG QD . . 3.890 2.369 2.113 3.384 . 0 0 "[ . 1 . 2]" 1 2842 1 112 ARG HB2 1 112 ARG HE . . 5.340 3.527 2.464 5.097 . 0 0 "[ . 1 . 2]" 1 2843 1 112 ARG HB2 1 113 SER H . . 3.900 3.887 3.699 3.991 0.091 13 0 "[ . 1 . 2]" 1 2844 1 112 ARG HB3 1 112 ARG QD . . 3.380 3.296 2.352 3.452 0.072 12 0 "[ . 1 . 2]" 1 2845 1 112 ARG HB3 1 112 ARG QG . . 2.640 2.136 2.095 2.239 . 0 0 "[ . 1 . 2]" 1 2846 1 112 ARG HB3 1 113 SER H . . 4.130 4.022 3.805 4.206 0.076 4 0 "[ . 1 . 2]" 1 2847 1 112 ARG QD 1 113 SER H . . 5.200 2.729 2.216 3.396 . 0 0 "[ . 1 . 2]" 1 2848 1 112 ARG QD 1 113 SER HA . . 4.630 3.496 2.774 4.405 . 0 0 "[ . 1 . 2]" 1 2849 1 112 ARG QD 1 113 SER QB . . 4.640 3.588 1.997 4.502 . 0 0 "[ . 1 . 2]" 1 2850 1 112 ARG QD 1 114 SER QB . . 4.890 4.388 3.154 5.001 0.111 17 0 "[ . 1 . 2]" 1 2851 1 112 ARG QG 1 113 SER H . . 4.810 2.467 2.019 3.121 . 0 0 "[ . 1 . 2]" 1 2852 1 112 ARG QG 1 113 SER HA . . 5.030 4.303 3.429 4.918 . 0 0 "[ . 1 . 2]" 1 2853 1 113 SER H 1 113 SER QB . . 3.460 3.040 1.870 3.346 . 0 0 "[ . 1 . 2]" 1 2854 1 113 SER H 1 114 SER H . . 4.020 3.567 2.509 4.113 0.093 2 0 "[ . 1 . 2]" 1 2855 1 113 SER H 1 114 SER HA . . 5.500 5.197 4.089 5.578 0.078 13 0 "[ . 1 . 2]" 1 2856 1 113 SER HA 1 114 SER H . . 3.150 2.221 1.987 3.231 0.081 11 0 "[ . 1 . 2]" 1 2857 1 113 SER HA 1 114 SER QB . . 4.330 4.217 3.834 4.438 0.108 18 0 "[ . 1 . 2]" 1 2858 1 113 SER QB 1 114 SER H . . 4.380 3.639 3.043 4.007 . 0 0 "[ . 1 . 2]" 1 2859 1 114 SER H 1 114 SER QB . . 3.800 2.842 2.010 3.453 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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