NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
632018 | 6g81 | 34257 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6g81 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 2357 _Distance_constraint_stats_list.Viol_count 4037 _Distance_constraint_stats_list.Viol_total 12335.668 _Distance_constraint_stats_list.Viol_max 0.871 _Distance_constraint_stats_list.Viol_rms 0.0563 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0131 _Distance_constraint_stats_list.Viol_average_violations_only 0.1528 _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 MET 1.265 0.182 11 0 "[ . 1 . 2]" 1 2 HIS 2.988 0.336 12 0 "[ . 1 . 2]" 1 3 GLU 7.548 0.814 3 7 "[ + . **1* .*-* 2]" 1 4 TYR 10.167 0.479 12 0 "[ . 1 . 2]" 1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 VAL 25.466 0.722 6 20 [***-*+**************] 1 7 VAL 31.937 0.479 12 0 "[ . 1 . 2]" 1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 SER 7.897 0.490 15 0 "[ . 1 . 2]" 1 10 LEU 18.958 0.476 18 0 "[ . 1 . 2]" 1 11 ILE 11.002 0.455 9 0 "[ . 1 . 2]" 1 12 ALA 17.235 0.490 15 0 "[ . 1 . 2]" 1 13 LEU 21.190 0.446 14 0 "[ . 1 . 2]" 1 14 CYS 16.199 0.447 15 0 "[ . 1 . 2]" 1 15 GLU 11.237 0.384 17 0 "[ . 1 . 2]" 1 16 GLU 20.900 0.419 15 0 "[ . 1 . 2]" 1 17 HIS 20.058 0.448 8 0 "[ . 1 . 2]" 1 18 ALA 9.813 0.493 19 0 "[ . 1 . 2]" 1 19 LYS 6.997 0.304 7 0 "[ . 1 . 2]" 1 20 LYS 11.631 0.397 20 0 "[ . 1 . 2]" 1 21 ASN 5.108 0.459 10 0 "[ . 1 . 2]" 1 22 GLN 1.761 0.268 15 0 "[ . 1 . 2]" 1 23 ALA 5.843 0.349 11 0 "[ . 1 . 2]" 1 24 HIS 0.493 0.242 9 0 "[ . 1 . 2]" 1 25 LYS 12.380 0.478 7 0 "[ . 1 . 2]" 1 26 ILE 6.655 0.490 5 0 "[ . 1 . 2]" 1 27 GLU 8.478 0.792 8 1 "[ . + 1 . 2]" 1 28 ARG 5.203 0.531 16 1 "[ . 1 .+ 2]" 1 29 VAL 16.798 0.440 19 0 "[ . 1 . 2]" 1 30 VAL 11.836 0.871 8 5 "[* . +*1 . * *]" 1 31 VAL 18.741 0.433 18 0 "[ . 1 . 2]" 1 32 GLY 0.056 0.045 17 0 "[ . 1 . 2]" 1 33 ILE 29.664 0.435 3 0 "[ . 1 . 2]" 1 34 GLY 3.716 0.252 3 0 "[ . 1 . 2]" 1 35 GLU 21.062 0.702 3 5 "[ *+ * 1 - . *]" 1 36 ARG 15.213 0.830 14 3 "[ . * -1 +. 2]" 1 37 SER 2.910 0.316 10 0 "[ . 1 . 2]" 1 38 ALA 2.323 0.459 10 0 "[ . 1 . 2]" 1 39 MET 10.780 0.435 12 0 "[ . 1 . 2]" 1 40 ASP 6.503 0.814 3 6 "[ + . **1* . -* 2]" 1 41 LYS 15.713 0.479 9 0 "[ . 1 . 2]" 1 42 SER 6.494 0.385 6 0 "[ . 1 . 2]" 1 43 LEU 17.592 0.385 6 0 "[ . 1 . 2]" 1 44 PHE 16.991 0.585 16 1 "[ . 1 .+ 2]" 1 45 VAL 35.424 0.451 19 0 "[ . 1 . 2]" 1 46 SER 1.324 0.242 7 0 "[ . 1 . 2]" 1 47 ALA 4.375 0.377 12 0 "[ . 1 . 2]" 1 48 PHE 7.394 0.301 9 0 "[ . 1 . 2]" 1 49 GLU 7.426 0.446 15 0 "[ . 1 . 2]" 1 50 THR 15.078 0.446 15 0 "[ . 1 . 2]" 1 51 PHE 8.379 0.413 10 0 "[ . 1 . 2]" 1 52 ARG 0.539 0.243 9 0 "[ . 1 . 2]" 1 53 GLU 6.184 0.697 11 1 "[ . 1+ . 2]" 1 54 GLU 7.817 0.285 9 0 "[ . 1 . 2]" 1 55 SER 3.955 0.814 4 4 "[ +. * * . - 2]" 1 56 LEU 15.791 0.456 11 0 "[ . 1 . 2]" 1 57 VAL 18.643 0.490 5 0 "[ . 1 . 2]" 1 58 CYS 4.278 0.814 4 4 "[ +. * * . - 2]" 1 59 LYS 12.984 0.697 11 1 "[ . 1+ . 2]" 1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ALA 5.183 0.408 12 0 "[ . 1 . 2]" 1 62 ILE 8.913 0.531 16 1 "[ . 1 .+ 2]" 1 63 LEU 9.099 0.451 19 0 "[ . 1 . 2]" 1 64 ASP 7.613 0.871 8 5 "[* . +*1 . * -]" 1 65 ILE 17.809 0.479 9 0 "[ . 1 . 2]" 1 66 VAL 5.509 0.414 18 0 "[ . 1 . 2]" 1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 GLU 0.521 0.311 5 0 "[ . 1 . 2]" 1 69 LYS 10.514 0.702 3 4 "[ *+ * 1 . -]" 1 70 VAL 15.832 0.765 13 2 "[ . 1 + . *]" 1 71 GLU 6.922 0.627 13 1 "[ . 1 + . 2]" 1 72 LEU 10.322 0.772 14 2 "[ . - 1 +. 2]" 1 73 GLU 14.179 0.429 13 0 "[ . 1 . 2]" 1 74 CYS 3.682 0.736 17 1 "[ . 1 . + 2]" 1 75 LYS 4.277 0.438 10 0 "[ . 1 . 2]" 1 76 ASP 4.272 0.355 12 0 "[ . 1 . 2]" 1 77 CYS 3.258 0.736 17 1 "[ . 1 . + 2]" 1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 HIS 13.707 0.817 12 2 "[ . 1 +- . 2]" 1 80 VAL 21.742 0.352 2 0 "[ . 1 . 2]" 1 81 PHE 12.530 0.776 10 3 "[ . - + *. 2]" 1 82 LYS 8.217 0.627 13 1 "[ . 1 + . 2]" 1 83 PRO 8.432 0.765 13 1 "[ . 1 + . 2]" 1 84 ASN 1.741 0.153 18 0 "[ . 1 . 2]" 1 85 ALA 7.263 0.346 16 0 "[ . 1 . 2]" 1 86 LEU 8.275 0.346 16 0 "[ . 1 . 2]" 1 87 ASP 2.110 0.612 20 1 "[ . 1 . +]" 1 88 TYR 12.931 0.830 14 1 "[ . 1 +. 2]" 1 89 GLY 3.425 0.299 7 0 "[ . 1 . 2]" 1 90 VAL 15.666 0.479 12 0 "[ . 1 . 2]" 1 91 CYS 3.923 0.462 17 0 "[ . 1 . 2]" 1 92 GLU 3.662 0.817 12 2 "[ . - + . 2]" 1 93 LYS 4.922 0.708 13 1 "[ . 1 + . 2]" 1 94 CYS 1.081 0.462 17 0 "[ . 1 . 2]" 1 95 HIS 1.374 0.381 10 0 "[ . 1 . 2]" 1 96 SER 5.813 0.462 17 0 "[ . 1 . 2]" 1 97 LYS 9.880 0.479 12 0 "[ . 1 . 2]" 1 98 ASN 2.854 0.405 6 0 "[ . 1 . 2]" 1 99 VAL 21.258 0.472 10 0 "[ . 1 . 2]" 1 100 ILE 25.201 0.719 1 2 "[+ . 1 . -]" 1 101 ILE 17.100 0.425 6 0 "[ . 1 . 2]" 1 102 THR 17.216 0.719 1 2 "[+ . 1 . -]" 1 103 GLN 7.017 0.455 15 0 "[ . 1 . 2]" 1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 ASN 7.073 0.671 10 2 "[ - . + . 2]" 1 106 GLU 4.583 0.671 10 2 "[ - . + . 2]" 1 107 MET 13.819 0.476 18 0 "[ . 1 . 2]" 1 108 ARG 1.576 0.610 16 1 "[ . 1 .+ 2]" 1 109 LEU 18.140 0.467 19 0 "[ . 1 . 2]" 1 110 LEU 8.681 0.610 16 1 "[ . 1 .+ 2]" 1 111 SER 2.908 0.530 8 1 "[ . + 1 . 2]" 1 112 LEU 11.274 0.493 19 0 "[ . 1 . 2]" 1 113 GLU 15.348 0.792 8 1 "[ . + 1 . 2]" 1 114 MET 7.168 0.349 11 0 "[ . 1 . 2]" 1 115 LEU 4.090 0.354 4 0 "[ . 1 . 2]" 1 116 ALA 0.124 0.124 17 0 "[ . 1 . 2]" 1 117 GLU 2.096 0.345 12 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 MET HA 1 1 MET QB 2.161 . 2.745 2.371 2.330 2.449 . 0 0 "[ . 1 . 2]" 1 2 1 1 MET HA 1 1 MET ME 2.893 . 3.939 3.765 3.085 4.059 0.120 13 0 "[ . 1 . 2]" 1 3 1 1 MET HA 1 1 MET QG 2.237 . 2.862 2.531 2.313 3.006 0.144 12 0 "[ . 1 . 2]" 1 4 1 1 MET QB 1 1 MET ME 2.739 . 3.677 2.300 2.125 3.671 . 0 0 "[ . 1 . 2]" 1 5 1 1 MET QB 1 1 MET QG 2.078 . 2.618 2.081 1.980 2.129 . 0 0 "[ . 1 . 2]" 1 6 1 1 MET QB 1 2 HIS HD2 2.921 . 5.500 3.364 2.520 5.105 . 0 0 "[ . 1 . 2]" 1 7 1 1 MET QB 1 38 ALA MB 2.948 . 4.420 3.703 2.414 4.489 0.069 16 0 "[ . 1 . 2]" 1 8 1 1 MET ME 1 1 MET QG 2.307 . 2.972 2.389 2.192 2.494 . 0 0 "[ . 1 . 2]" 1 9 1 1 MET ME 1 38 ALA MB 2.324 . 5.000 2.945 2.225 4.408 . 0 0 "[ . 1 . 2]" 1 10 1 1 MET QG 1 2 HIS HD2 2.944 . 5.500 3.604 2.674 5.682 0.182 11 0 "[ . 1 . 2]" 1 11 1 1 MET QG 1 38 ALA MB 2.655 . 5.000 2.619 2.017 4.225 . 0 0 "[ . 1 . 2]" 1 12 1 2 HIS HA 1 2 HIS QB 2.399 . 3.118 2.394 2.352 2.429 . 0 0 "[ . 1 . 2]" 1 13 1 2 HIS HA 1 2 HIS HD2 2.838 . 5.000 2.770 2.383 4.503 . 0 0 "[ . 1 . 2]" 1 14 1 2 HIS HA 1 3 GLU H 3.199 . 4.478 2.372 2.288 2.446 . 0 0 "[ . 1 . 2]" 1 15 1 2 HIS QB 1 2 HIS HD2 2.706 . 3.621 3.215 2.648 3.352 . 0 0 "[ . 1 . 2]" 1 16 1 2 HIS QB 1 6 VAL QG 2.924 . 3.993 4.123 3.860 4.329 0.336 12 0 "[ . 1 . 2]" 1 17 1 2 HIS HB3 1 5 SER QB 3.089 . 4.282 3.584 3.126 3.984 . 0 0 "[ . 1 . 2]" 1 18 1 3 GLU H 1 3 GLU HB2 3.278 . 4.621 2.578 2.465 2.686 . 0 0 "[ . 1 . 2]" 1 19 1 3 GLU H 1 4 TYR H 2.999 . 4.123 2.775 2.402 2.962 . 0 0 "[ . 1 . 2]" 1 20 1 3 GLU HA 1 3 GLU HB2 2.811 . 3.799 3.044 3.012 3.087 . 0 0 "[ . 1 . 2]" 1 21 1 3 GLU HA 1 3 GLU HB3 2.791 . 3.765 2.471 2.428 2.534 . 0 0 "[ . 1 . 2]" 1 22 1 3 GLU HA 1 3 GLU HG2 2.874 . 3.907 3.480 3.156 3.752 . 0 0 "[ . 1 . 2]" 1 23 1 3 GLU HA 1 3 GLU HG3 2.928 . 4.000 3.093 2.473 3.834 . 0 0 "[ . 1 . 2]" 1 24 1 3 GLU HA 1 4 TYR H 3.281 . 4.627 3.577 3.518 3.619 . 0 0 "[ . 1 . 2]" 1 25 1 3 GLU HA 1 6 VAL HB 2.734 . 3.669 2.953 2.663 3.326 . 0 0 "[ . 1 . 2]" 1 26 1 3 GLU HA 1 6 VAL QG 2.469 . 3.231 3.199 2.992 3.356 0.125 4 0 "[ . 1 . 2]" 1 27 1 3 GLU HA 1 7 VAL MG2 2.889 . 3.932 3.167 2.934 3.293 . 0 0 "[ . 1 . 2]" 1 28 1 3 GLU HA 1 39 MET ME 2.670 . 3.561 2.721 2.059 3.605 0.044 16 0 "[ . 1 . 2]" 1 29 1 3 GLU HA 1 39 MET HG2 3.311 . 4.681 3.830 3.068 4.684 0.003 12 0 "[ . 1 . 2]" 1 30 1 3 GLU HB2 1 44 PHE HA 3.074 . 4.255 4.070 3.471 4.840 0.585 16 1 "[ . 1 .+ 2]" 1 31 1 3 GLU HB3 1 3 GLU HG3 2.915 . 3.977 2.550 2.425 2.657 . 0 0 "[ . 1 . 2]" 1 32 1 3 GLU HB3 1 4 TYR H 3.247 . 4.565 3.677 3.566 3.768 . 0 0 "[ . 1 . 2]" 1 33 1 3 GLU HG3 1 40 ASP QB 2.730 . 3.662 3.451 2.219 4.476 0.814 3 6 "[ + . **1* . -* 2]" 1 34 1 4 TYR H 1 4 TYR HA 2.833 . 3.836 2.896 2.844 2.951 . 0 0 "[ . 1 . 2]" 1 35 1 4 TYR H 1 4 TYR HB2 2.742 . 3.682 2.378 2.271 2.469 . 0 0 "[ . 1 . 2]" 1 36 1 4 TYR H 1 5 SER H 3.019 . 4.158 2.614 2.493 2.765 . 0 0 "[ . 1 . 2]" 1 37 1 4 TYR HA 1 4 TYR QB 2.454 . 3.207 2.407 2.364 2.451 . 0 0 "[ . 1 . 2]" 1 38 1 4 TYR HA 1 4 TYR QD 2.399 . 3.118 3.018 2.933 3.104 . 0 0 "[ . 1 . 2]" 1 39 1 4 TYR HA 1 4 TYR QE 3.260 . 4.588 4.610 4.548 4.673 0.085 9 0 "[ . 1 . 2]" 1 40 1 4 TYR HA 1 7 VAL H 3.079 . 4.264 3.365 3.251 3.440 . 0 0 "[ . 1 . 2]" 1 41 1 4 TYR HA 1 7 VAL HB 2.748 . 3.692 2.702 2.593 2.817 . 0 0 "[ . 1 . 2]" 1 42 1 4 TYR HA 1 7 VAL MG1 3.070 . 4.248 4.144 4.009 4.248 . 0 0 "[ . 1 . 2]" 1 43 1 4 TYR HA 1 7 VAL MG2 2.774 . 3.736 3.429 3.260 3.560 . 0 0 "[ . 1 . 2]" 1 44 1 4 TYR HA 1 8 SER H 3.209 . 4.497 3.822 3.709 3.949 . 0 0 "[ . 1 . 2]" 1 45 1 4 TYR HA 1 47 ALA MB 2.438 . 3.181 2.407 2.212 2.760 . 0 0 "[ . 1 . 2]" 1 46 1 4 TYR HA 1 51 PHE HD1 3.112 . 4.322 3.857 3.586 4.161 . 0 0 "[ . 1 . 2]" 1 47 1 4 TYR HA 1 51 PHE QE 3.482 . 4.998 2.341 2.123 2.648 . 0 0 "[ . 1 . 2]" 1 48 1 4 TYR HB2 1 5 SER H 3.379 . 4.807 3.013 2.899 3.143 . 0 0 "[ . 1 . 2]" 1 49 1 4 TYR HB3 1 4 TYR QD 2.464 . 3.223 2.374 2.311 2.466 . 0 0 "[ . 1 . 2]" 1 50 1 4 TYR HB3 1 4 TYR QE 3.204 . 4.487 4.444 4.373 4.480 . 0 0 "[ . 1 . 2]" 1 51 1 4 TYR HB3 1 47 ALA MB 3.301 . 4.663 3.911 3.708 4.242 . 0 0 "[ . 1 . 2]" 1 52 1 4 TYR HB3 1 51 PHE HD1 3.436 . 4.912 4.756 4.478 5.202 0.290 19 0 "[ . 1 . 2]" 1 53 1 4 TYR HB3 1 51 PHE QE 3.140 . 4.372 2.341 2.050 2.759 . 0 0 "[ . 1 . 2]" 1 54 1 4 TYR QD 1 7 VAL HB 3.362 . 4.775 4.640 4.450 4.855 0.080 12 0 "[ . 1 . 2]" 1 55 1 4 TYR QD 1 7 VAL MG1 3.384 . 4.815 4.936 4.785 5.185 0.370 12 0 "[ . 1 . 2]" 1 56 1 4 TYR QD 1 7 VAL MG2 3.284 . 4.632 4.945 4.847 5.111 0.479 12 0 "[ . 1 . 2]" 1 57 1 4 TYR QD 1 43 LEU MD1 3.210 . 5.000 4.442 3.812 5.065 0.065 20 0 "[ . 1 . 2]" 1 58 1 4 TYR QD 1 47 ALA HA 2.938 . 4.017 3.460 3.153 3.879 . 0 0 "[ . 1 . 2]" 1 59 1 4 TYR QD 1 47 ALA MB 2.371 . 3.074 2.853 2.605 3.083 0.009 12 0 "[ . 1 . 2]" 1 60 1 4 TYR QD 1 50 THR MG 3.092 . 4.287 3.575 3.123 4.034 . 0 0 "[ . 1 . 2]" 1 61 1 4 TYR QD 1 51 PHE HD1 3.126 . 4.348 3.637 3.383 3.880 . 0 0 "[ . 1 . 2]" 1 62 1 4 TYR QD 1 51 PHE QE 3.121 . 4.339 2.031 1.902 2.365 0.001 6 0 "[ . 1 . 2]" 1 63 1 4 TYR QE 1 43 LEU MD1 2.552 . 3.366 2.964 2.757 3.128 . 0 0 "[ . 1 . 2]" 1 64 1 4 TYR QE 1 43 LEU QB 3.204 . 4.487 3.189 2.617 3.920 . 0 0 "[ . 1 . 2]" 1 65 1 4 TYR QE 1 43 LEU MD1 3.202 . 4.484 3.497 2.974 4.081 . 0 0 "[ . 1 . 2]" 1 66 1 4 TYR QE 1 43 LEU MD2 2.576 . 3.406 3.109 2.436 3.659 0.253 20 0 "[ . 1 . 2]" 1 67 1 4 TYR QE 1 47 ALA HA 2.743 . 3.684 2.560 2.397 2.703 . 0 0 "[ . 1 . 2]" 1 68 1 4 TYR QE 1 47 ALA MB 2.476 . 3.243 3.020 2.840 3.186 . 0 0 "[ . 1 . 2]" 1 69 1 4 TYR QE 1 50 THR HB 3.159 . 4.407 3.146 2.652 3.512 . 0 0 "[ . 1 . 2]" 1 70 1 4 TYR QE 1 50 THR MG 2.651 . 3.529 2.885 2.217 3.349 . 0 0 "[ . 1 . 2]" 1 71 1 5 SER H 1 5 SER QB 2.840 . 3.848 2.289 2.244 2.330 . 0 0 "[ . 1 . 2]" 1 72 1 5 SER H 1 6 VAL H 2.928 . 4.000 2.549 2.460 2.649 . 0 0 "[ . 1 . 2]" 1 73 1 5 SER H 1 6 VAL QG 3.316 . 4.691 4.026 3.841 4.153 . 0 0 "[ . 1 . 2]" 1 74 1 5 SER H 1 8 SER H 3.444 . 4.926 4.558 4.438 4.640 . 0 0 "[ . 1 . 2]" 1 75 1 5 SER HA 1 5 SER QB 2.080 . 2.621 2.371 2.286 2.437 . 0 0 "[ . 1 . 2]" 1 76 1 5 SER HA 1 5 SER QB 2.122 . 2.685 2.111 2.069 2.146 . 0 0 "[ . 1 . 2]" 1 77 1 5 SER HA 1 6 VAL H 3.223 . 4.522 3.580 3.517 3.619 . 0 0 "[ . 1 . 2]" 1 78 1 5 SER HA 1 8 SER H 2.994 . 4.114 3.345 3.109 3.506 . 0 0 "[ . 1 . 2]" 1 79 1 5 SER HA 1 8 SER QB 2.645 . 3.519 2.610 2.375 2.785 . 0 0 "[ . 1 . 2]" 1 80 1 5 SER QB 1 6 VAL H 2.803 . 3.785 2.686 2.591 2.805 . 0 0 "[ . 1 . 2]" 1 81 1 5 SER QB 1 6 VAL QG 2.666 . 3.555 3.161 3.012 3.273 . 0 0 "[ . 1 . 2]" 1 82 1 5 SER QB 1 6 VAL QG 2.817 . 3.809 3.003 2.796 3.157 . 0 0 "[ . 1 . 2]" 1 83 1 6 VAL H 1 6 VAL HA 2.785 . 3.754 2.892 2.846 2.936 . 0 0 "[ . 1 . 2]" 1 84 1 6 VAL H 1 6 VAL HB 2.554 . 3.369 2.509 2.456 2.551 . 0 0 "[ . 1 . 2]" 1 85 1 6 VAL H 1 6 VAL QG 2.173 . 2.763 2.233 2.149 2.319 . 0 0 "[ . 1 . 2]" 1 86 1 6 VAL H 1 7 VAL H 2.636 . 3.505 2.599 2.469 2.730 . 0 0 "[ . 1 . 2]" 1 87 1 6 VAL H 1 8 SER H 3.124 . 4.344 3.968 3.859 4.051 . 0 0 "[ . 1 . 2]" 1 88 1 6 VAL H 1 39 MET ME 3.271 . 4.608 4.337 3.898 5.043 0.435 12 0 "[ . 1 . 2]" 1 89 1 6 VAL HA 1 6 VAL HB 2.685 . 3.586 3.049 2.988 3.148 . 0 0 "[ . 1 . 2]" 1 90 1 6 VAL HA 1 6 VAL QG 1.929 . 2.394 2.140 2.082 2.208 . 0 0 "[ . 1 . 2]" 1 91 1 6 VAL HA 1 7 VAL H 3.115 . 4.328 3.605 3.556 3.648 . 0 0 "[ . 1 . 2]" 1 92 1 6 VAL HA 1 9 SER H 2.986 . 4.101 3.386 3.263 3.577 . 0 0 "[ . 1 . 2]" 1 93 1 6 VAL HA 1 9 SER QB 2.797 . 3.775 3.300 2.597 4.029 0.254 5 0 "[ . 1 . 2]" 1 94 1 6 VAL HA 1 39 MET ME 2.926 . 3.996 3.984 3.731 4.210 0.214 18 0 "[ . 1 . 2]" 1 95 1 6 VAL HB 1 44 PHE QD 3.158 . 4.405 2.863 2.395 3.301 . 0 0 "[ . 1 . 2]" 1 96 1 6 VAL HB 1 6 VAL QG 1.988 . 2.482 1.921 1.903 1.937 . 0 0 "[ . 1 . 2]" 1 97 1 6 VAL HB 1 7 VAL H 2.780 . 3.746 2.706 2.625 2.820 . 0 0 "[ . 1 . 2]" 1 98 1 6 VAL HB 1 7 VAL MG2 3.189 . 4.460 3.325 3.173 3.505 . 0 0 "[ . 1 . 2]" 1 99 1 6 VAL HB 1 39 MET ME 2.335 . 3.017 2.120 1.947 2.272 . 0 0 "[ . 1 . 2]" 1 100 1 6 VAL HB 1 44 PHE QD 3.099 . 4.300 3.567 3.398 3.964 . 0 0 "[ . 1 . 2]" 1 101 1 6 VAL HB 1 44 PHE QE 3.162 . 4.412 2.988 2.418 3.533 . 0 0 "[ . 1 . 2]" 1 102 1 6 VAL MG1 1 6 VAL MG2 1.202 . 1.383 2.076 2.032 2.105 0.722 6 20 [***-*+**************] 1 103 1 6 VAL QG 1 7 VAL H 2.513 . 3.303 3.283 3.217 3.333 0.030 9 0 "[ . 1 . 2]" 1 104 1 6 VAL QG 1 7 VAL HA 2.933 . 4.009 3.479 3.355 3.576 . 0 0 "[ . 1 . 2]" 1 105 1 6 VAL QG 1 7 VAL MG2 2.558 . 3.376 3.409 3.257 3.551 0.175 18 0 "[ . 1 . 2]" 1 106 1 6 VAL QG 1 9 SER H 3.137 . 4.367 4.296 4.207 4.427 0.060 5 0 "[ . 1 . 2]" 1 107 1 6 VAL QG 1 10 LEU MD2 3.086 . 4.277 3.880 3.577 4.291 0.014 9 0 "[ . 1 . 2]" 1 108 1 6 VAL QG 1 39 MET ME 1.809 . 2.218 1.871 1.767 1.982 . 0 0 "[ . 1 . 2]" 1 109 1 6 VAL QG 1 39 MET QG 3.134 . 4.361 3.062 2.770 3.363 . 0 0 "[ . 1 . 2]" 1 110 1 6 VAL QG 1 44 PHE QD 2.637 . 3.506 3.726 3.451 3.979 0.473 7 0 "[ . 1 . 2]" 1 111 1 6 VAL QG 1 44 PHE QE 2.442 . 3.187 2.507 2.156 2.961 . 0 0 "[ . 1 . 2]" 1 112 1 6 VAL QG 1 44 PHE HZ 3.023 . 5.000 4.140 3.743 4.709 . 0 0 "[ . 1 . 2]" 1 113 1 6 VAL QG 1 107 MET HB2 3.037 . 4.190 2.761 2.261 3.475 . 0 0 "[ . 1 . 2]" 1 114 1 6 VAL QG 1 107 MET HB3 3.047 . 4.208 2.493 2.173 2.923 . 0 0 "[ . 1 . 2]" 1 115 1 6 VAL QG 1 107 MET QG 2.855 . 3.874 3.509 3.024 3.847 . 0 0 "[ . 1 . 2]" 1 116 1 7 VAL H 1 7 VAL HA 2.734 . 3.669 2.892 2.862 2.927 . 0 0 "[ . 1 . 2]" 1 117 1 7 VAL H 1 7 VAL HB 2.500 . 3.281 2.497 2.408 2.574 . 0 0 "[ . 1 . 2]" 1 118 1 7 VAL H 1 7 VAL MG1 2.729 . 3.660 3.779 3.737 3.816 0.156 9 0 "[ . 1 . 2]" 1 119 1 7 VAL H 1 7 VAL MG2 2.384 . 3.095 2.282 2.213 2.363 . 0 0 "[ . 1 . 2]" 1 120 1 7 VAL H 1 8 SER H 2.438 . 3.181 2.638 2.484 2.704 . 0 0 "[ . 1 . 2]" 1 121 1 7 VAL H 1 47 ALA MB 3.022 . 4.164 3.849 3.734 3.944 . 0 0 "[ . 1 . 2]" 1 122 1 7 VAL HA 1 7 VAL HB 2.984 . 4.097 3.040 3.005 3.089 . 0 0 "[ . 1 . 2]" 1 123 1 7 VAL HA 1 7 VAL MG1 2.438 . 3.181 2.403 2.355 2.447 . 0 0 "[ . 1 . 2]" 1 124 1 7 VAL HA 1 7 VAL MG2 2.344 . 3.031 2.338 2.275 2.417 . 0 0 "[ . 1 . 2]" 1 125 1 7 VAL HA 1 8 SER H 3.120 . 4.337 3.597 3.554 3.648 . 0 0 "[ . 1 . 2]" 1 126 1 7 VAL HA 1 10 LEU H 3.037 . 4.190 2.950 2.805 3.034 . 0 0 "[ . 1 . 2]" 1 127 1 7 VAL HA 1 10 LEU HB2 3.245 . 4.561 2.569 2.403 2.750 . 0 0 "[ . 1 . 2]" 1 128 1 7 VAL HA 1 10 LEU HB3 3.023 . 4.166 2.296 2.189 2.469 . 0 0 "[ . 1 . 2]" 1 129 1 7 VAL HA 1 10 LEU MD1 3.197 . 4.475 4.488 4.294 4.639 0.164 8 0 "[ . 1 . 2]" 1 130 1 7 VAL HA 1 10 LEU MD2 2.831 . 3.833 2.828 2.698 2.987 . 0 0 "[ . 1 . 2]" 1 131 1 7 VAL HA 1 10 LEU HG 3.323 . 4.703 4.513 4.319 4.680 . 0 0 "[ . 1 . 2]" 1 132 1 7 VAL HA 1 11 ILE H 3.196 . 4.473 4.065 3.791 4.350 . 0 0 "[ . 1 . 2]" 1 133 1 7 VAL HA 1 11 ILE MD 3.296 . 4.654 4.816 4.517 5.109 0.455 9 0 "[ . 1 . 2]" 1 134 1 7 VAL HA 1 48 PHE QD 2.781 . 3.748 3.133 2.932 3.252 . 0 0 "[ . 1 . 2]" 1 135 1 7 VAL HA 1 44 PHE QE 3.072 . 4.252 3.598 3.419 3.739 . 0 0 "[ . 1 . 2]" 1 136 1 7 VAL HA 1 47 ALA MB 3.220 . 4.516 4.283 4.172 4.373 . 0 0 "[ . 1 . 2]" 1 137 1 7 VAL HA 1 48 PHE HA 3.163 . 4.414 4.605 4.473 4.715 0.301 9 0 "[ . 1 . 2]" 1 138 1 7 VAL HA 1 63 LEU MD2 3.256 . 4.581 4.757 4.541 5.032 0.451 19 0 "[ . 1 . 2]" 1 139 1 7 VAL HA 1 107 MET ME 2.844 . 3.855 3.887 3.664 4.045 0.190 12 0 "[ . 1 . 2]" 1 140 1 7 VAL HB 1 7 VAL MG1 2.335 . 3.017 2.137 2.119 2.164 . 0 0 "[ . 1 . 2]" 1 141 1 7 VAL HB 1 7 VAL MG2 2.294 . 2.952 2.176 2.140 2.194 . 0 0 "[ . 1 . 2]" 1 142 1 7 VAL HB 1 8 SER H 2.780 . 3.746 2.875 2.753 3.044 . 0 0 "[ . 1 . 2]" 1 143 1 7 VAL HB 1 44 PHE QD 3.409 . 4.862 4.762 4.587 5.055 0.193 19 0 "[ . 1 . 2]" 1 144 1 7 VAL HB 1 47 ALA MB 2.754 . 3.702 2.539 2.437 2.679 . 0 0 "[ . 1 . 2]" 1 145 1 7 VAL HB 1 51 PHE HD1 3.247 . 4.565 2.822 2.699 2.987 . 0 0 "[ . 1 . 2]" 1 146 1 7 VAL MG1 1 7 VAL MG2 2.019 . 2.529 2.049 2.028 2.092 . 0 0 "[ . 1 . 2]" 1 147 1 7 VAL MG1 1 8 SER H 2.826 . 3.824 3.572 3.430 3.735 . 0 0 "[ . 1 . 2]" 1 148 1 7 VAL MG1 1 8 SER HA 3.175 . 4.435 3.368 3.225 3.525 . 0 0 "[ . 1 . 2]" 1 149 1 7 VAL MG1 1 10 LEU MD2 2.282 . 2.933 2.287 2.134 2.471 . 0 0 "[ . 1 . 2]" 1 150 1 7 VAL MG1 1 11 ILE H 3.294 . 4.650 3.816 3.579 4.208 . 0 0 "[ . 1 . 2]" 1 151 1 7 VAL MG1 1 11 ILE MD 2.324 . 2.999 2.975 2.794 3.167 0.168 9 0 "[ . 1 . 2]" 1 152 1 7 VAL MG1 1 11 ILE HG12 3.311 . 4.681 2.795 2.432 3.459 . 0 0 "[ . 1 . 2]" 1 153 1 7 VAL MG1 1 51 PHE HA 3.098 . 4.297 4.572 4.411 4.710 0.413 10 0 "[ . 1 . 2]" 1 154 1 7 VAL MG1 1 47 ALA MB 2.495 . 3.273 2.733 2.598 2.889 . 0 0 "[ . 1 . 2]" 1 155 1 7 VAL MG1 1 48 PHE H 2.834 . 3.838 3.346 3.193 3.541 . 0 0 "[ . 1 . 2]" 1 156 1 7 VAL MG1 1 48 PHE HA 2.306 . 2.971 1.948 1.859 2.112 . 0 0 "[ . 1 . 2]" 1 157 1 7 VAL MG1 1 48 PHE HB2 3.057 . 4.226 3.154 2.938 3.540 . 0 0 "[ . 1 . 2]" 1 158 1 7 VAL MG1 1 48 PHE HB3 3.204 . 4.487 4.209 4.062 4.489 0.002 19 0 "[ . 1 . 2]" 1 159 1 7 VAL MG1 1 48 PHE QD 2.637 . 3.506 2.505 2.186 3.230 . 0 0 "[ . 1 . 2]" 1 160 1 7 VAL MG1 1 51 PHE HB2 2.950 . 4.037 2.237 2.103 2.411 . 0 0 "[ . 1 . 2]" 1 161 1 7 VAL MG1 1 51 PHE HB3 2.896 . 3.944 3.271 2.922 3.511 . 0 0 "[ . 1 . 2]" 1 162 1 7 VAL MG1 1 51 PHE HD1 2.820 . 3.814 2.253 2.095 2.388 . 0 0 "[ . 1 . 2]" 1 163 1 7 VAL MG2 1 10 LEU MD2 2.809 . 3.796 3.028 2.884 3.222 . 0 0 "[ . 1 . 2]" 1 164 1 7 VAL MG2 1 39 MET ME 2.885 . 3.926 3.415 3.104 3.739 . 0 0 "[ . 1 . 2]" 1 165 1 7 VAL MG2 1 44 PHE HA 2.599 . 3.443 2.914 2.775 3.149 . 0 0 "[ . 1 . 2]" 1 166 1 7 VAL MG2 1 44 PHE QD 2.487 . 3.260 2.604 2.495 2.737 . 0 0 "[ . 1 . 2]" 1 167 1 7 VAL MG2 1 44 PHE QE 2.726 . 3.655 2.627 2.428 2.857 . 0 0 "[ . 1 . 2]" 1 168 1 7 VAL MG2 1 44 PHE HZ 3.192 . 4.466 3.347 3.176 3.487 . 0 0 "[ . 1 . 2]" 1 169 1 7 VAL MG2 1 47 ALA H 3.106 . 4.312 3.970 3.888 4.079 . 0 0 "[ . 1 . 2]" 1 170 1 7 VAL MG2 1 47 ALA HA 3.192 . 4.465 4.386 4.210 4.578 0.113 7 0 "[ . 1 . 2]" 1 171 1 7 VAL MG2 1 47 ALA MB 2.204 . 2.811 1.997 1.940 2.057 . 0 0 "[ . 1 . 2]" 1 172 1 7 VAL MG2 1 48 PHE H 2.785 . 3.754 3.177 2.977 3.355 . 0 0 "[ . 1 . 2]" 1 173 1 7 VAL MG2 1 48 PHE HA 2.685 . 3.586 3.403 3.066 3.667 0.081 17 0 "[ . 1 . 2]" 1 174 1 7 VAL MG2 1 48 PHE HB2 3.122 . 4.341 3.218 2.987 3.389 . 0 0 "[ . 1 . 2]" 1 175 1 7 VAL MG2 1 51 PHE HD1 3.401 . 4.847 3.823 3.689 3.940 . 0 0 "[ . 1 . 2]" 1 176 1 8 SER H 1 8 SER HA 2.388 . 3.101 2.207 2.170 2.252 . 0 0 "[ . 1 . 2]" 1 177 1 8 SER H 1 9 SER H 2.419 . 3.150 2.685 2.587 2.818 . 0 0 "[ . 1 . 2]" 1 178 1 8 SER H 1 10 LEU H 3.242 . 4.555 3.902 3.764 4.009 . 0 0 "[ . 1 . 2]" 1 179 1 8 SER HA 1 51 PHE HD2 3.166 . 4.419 3.327 2.967 3.515 . 0 0 "[ . 1 . 2]" 1 180 1 8 SER HA 1 51 PHE QE 3.306 . 4.672 2.876 2.628 3.085 . 0 0 "[ . 1 . 2]" 1 181 1 8 SER HA 1 11 ILE HB 3.043 . 4.201 3.659 3.306 3.978 . 0 0 "[ . 1 . 2]" 1 182 1 8 SER HA 1 51 PHE HD1 3.438 . 4.915 3.460 3.319 3.619 . 0 0 "[ . 1 . 2]" 1 183 1 8 SER HA 1 51 PHE HD1 3.270 . 4.607 3.575 3.399 3.760 . 0 0 "[ . 1 . 2]" 1 184 1 8 SER HA 1 51 PHE QE 3.419 . 4.880 3.829 3.053 4.134 . 0 0 "[ . 1 . 2]" 1 185 1 8 SER QB 1 9 SER H 2.729 . 3.660 2.692 2.582 2.768 . 0 0 "[ . 1 . 2]" 1 186 1 9 SER H 1 9 SER HA 2.554 . 3.369 2.912 2.889 2.951 . 0 0 "[ . 1 . 2]" 1 187 1 9 SER H 1 9 SER QB 2.525 . 3.322 2.454 2.229 2.643 . 0 0 "[ . 1 . 2]" 1 188 1 9 SER H 1 10 LEU H 2.583 . 3.417 2.470 2.362 2.631 . 0 0 "[ . 1 . 2]" 1 189 1 9 SER HA 1 9 SER QB 2.226 . 2.846 2.283 2.157 2.412 . 0 0 "[ . 1 . 2]" 1 190 1 9 SER HA 1 12 ALA H 2.884 . 3.924 3.437 3.190 3.678 . 0 0 "[ . 1 . 2]" 1 191 1 9 SER HA 1 12 ALA MB 2.092 . 2.639 2.891 2.647 3.129 0.490 15 0 "[ . 1 . 2]" 1 192 1 9 SER QB 1 10 LEU H 3.091 . 4.286 3.242 2.582 3.716 . 0 0 "[ . 1 . 2]" 1 193 1 9 SER QB 1 12 ALA MB 3.058 . 4.227 4.132 3.748 4.715 0.488 20 0 "[ . 1 . 2]" 1 194 1 10 LEU H 1 10 LEU HA 2.770 . 3.729 2.868 2.819 2.925 . 0 0 "[ . 1 . 2]" 1 195 1 10 LEU H 1 10 LEU HB2 3.101 . 4.303 2.540 2.473 2.635 . 0 0 "[ . 1 . 2]" 1 196 1 10 LEU H 1 10 LEU HB3 2.976 . 4.083 2.530 2.451 2.603 . 0 0 "[ . 1 . 2]" 1 197 1 10 LEU H 1 10 LEU MD1 3.118 . 4.333 4.185 3.996 4.283 . 0 0 "[ . 1 . 2]" 1 198 1 10 LEU H 1 10 LEU MD2 3.016 . 4.153 4.218 4.111 4.342 0.189 4 0 "[ . 1 . 2]" 1 199 1 10 LEU H 1 10 LEU HG 3.241 . 4.554 4.474 4.412 4.535 . 0 0 "[ . 1 . 2]" 1 200 1 10 LEU H 1 11 ILE H 2.670 . 3.561 2.686 2.474 2.808 . 0 0 "[ . 1 . 2]" 1 201 1 10 LEU H 1 12 ALA H 3.258 . 4.585 4.198 3.981 4.370 . 0 0 "[ . 1 . 2]" 1 202 1 10 LEU H 1 107 MET ME 3.015 . 5.000 3.790 3.063 4.730 . 0 0 "[ . 1 . 2]" 1 203 1 10 LEU HA 1 10 LEU MD1 2.184 . 2.780 2.187 2.069 2.310 . 0 0 "[ . 1 . 2]" 1 204 1 10 LEU HA 1 10 LEU MD2 2.734 . 3.669 3.880 3.825 3.927 0.258 17 0 "[ . 1 . 2]" 1 205 1 10 LEU HA 1 10 LEU HG 3.055 . 4.221 3.170 3.053 3.264 . 0 0 "[ . 1 . 2]" 1 206 1 10 LEU HA 1 11 ILE H 3.115 . 4.328 3.589 3.551 3.635 . 0 0 "[ . 1 . 2]" 1 207 1 10 LEU HA 1 13 LEU H 2.834 . 3.838 3.247 3.106 3.378 . 0 0 "[ . 1 . 2]" 1 208 1 10 LEU HA 1 13 LEU HB2 2.936 . 4.013 3.077 2.893 3.264 . 0 0 "[ . 1 . 2]" 1 209 1 10 LEU HA 1 13 LEU HB3 2.909 . 3.967 2.430 2.279 2.618 . 0 0 "[ . 1 . 2]" 1 210 1 10 LEU HA 1 13 LEU MD2 2.756 . 3.705 3.008 2.768 3.207 . 0 0 "[ . 1 . 2]" 1 211 1 10 LEU HA 1 13 LEU HG 3.202 . 4.484 4.653 4.415 4.901 0.417 16 0 "[ . 1 . 2]" 1 212 1 10 LEU HA 1 107 MET ME 2.593 . 3.433 3.091 2.519 3.909 0.476 18 0 "[ . 1 . 2]" 1 213 1 10 LEU HB2 1 10 LEU MD1 2.713 . 3.633 2.462 2.286 2.540 . 0 0 "[ . 1 . 2]" 1 214 1 10 LEU HB2 1 10 LEU MD1 2.177 . 2.770 2.119 2.025 2.185 . 0 0 "[ . 1 . 2]" 1 215 1 10 LEU HB2 1 10 LEU MD2 2.743 . 3.684 2.358 2.273 2.499 . 0 0 "[ . 1 . 2]" 1 216 1 10 LEU HB2 1 107 MET ME 2.941 . 4.023 2.200 1.930 2.869 . 0 0 "[ . 1 . 2]" 1 217 1 10 LEU HB3 1 10 LEU MD1 2.857 . 3.877 3.231 3.182 3.267 . 0 0 "[ . 1 . 2]" 1 218 1 10 LEU HB3 1 10 LEU MD2 2.721 . 3.647 2.254 2.150 2.345 . 0 0 "[ . 1 . 2]" 1 219 1 10 LEU HB3 1 11 ILE H 3.053 . 4.218 2.578 2.472 2.759 . 0 0 "[ . 1 . 2]" 1 220 1 10 LEU HB3 1 107 MET ME 2.910 . 3.969 3.713 3.523 4.086 0.117 18 0 "[ . 1 . 2]" 1 221 1 10 LEU MD1 1 10 LEU MD2 2.038 . 2.557 2.069 2.016 2.099 . 0 0 "[ . 1 . 2]" 1 222 1 10 LEU MD1 1 10 LEU HG 2.355 . 3.048 2.125 2.084 2.167 . 0 0 "[ . 1 . 2]" 1 223 1 10 LEU MD1 1 10 LEU HG 2.458 . 3.213 2.118 2.075 2.157 . 0 0 "[ . 1 . 2]" 1 224 1 10 LEU MD1 1 11 ILE H 3.311 . 4.681 4.532 4.382 4.637 . 0 0 "[ . 1 . 2]" 1 225 1 10 LEU MD1 1 13 LEU H 3.305 . 4.670 4.400 4.084 4.594 . 0 0 "[ . 1 . 2]" 1 226 1 10 LEU MD1 1 13 LEU HB2 3.031 . 4.179 3.782 3.505 3.945 . 0 0 "[ . 1 . 2]" 1 227 1 10 LEU MD1 1 13 LEU MD2 2.341 . 3.026 2.520 2.257 2.840 . 0 0 "[ . 1 . 2]" 1 228 1 10 LEU MD1 1 14 CYS H 3.128 . 4.351 3.760 3.483 3.996 . 0 0 "[ . 1 . 2]" 1 229 1 10 LEU MD1 1 29 VAL MG1 2.238 . 5.000 2.769 2.405 3.483 . 0 0 "[ . 1 . 2]" 1 230 1 10 LEU MD1 1 31 VAL MG1 2.282 . 2.933 2.658 2.288 3.196 0.263 19 0 "[ . 1 . 2]" 1 231 1 10 LEU MD1 1 44 PHE HZ 3.562 . 5.148 3.808 3.455 4.258 . 0 0 "[ . 1 . 2]" 1 232 1 10 LEU MD1 1 48 PHE QD 3.066 . 4.241 4.137 3.913 4.525 0.284 5 0 "[ . 1 . 2]" 1 233 1 10 LEU MD1 1 63 LEU MD2 3.056 . 4.223 4.169 3.695 4.670 0.447 19 0 "[ . 1 . 2]" 1 234 1 10 LEU MD1 1 109 LEU HA 3.069 . 4.246 3.329 3.197 3.445 . 0 0 "[ . 1 . 2]" 1 235 1 10 LEU MD1 1 107 MET ME 2.089 . 2.634 2.029 1.823 2.206 . 0 0 "[ . 1 . 2]" 1 236 1 10 LEU MD1 1 109 LEU HB3 3.314 . 4.687 4.686 4.494 4.906 0.219 6 0 "[ . 1 . 2]" 1 237 1 10 LEU MD1 1 109 LEU MD1 2.572 . 3.399 2.705 2.410 3.091 . 0 0 "[ . 1 . 2]" 1 238 1 10 LEU MD1 1 109 LEU MD2 2.192 . 2.792 1.990 1.909 2.073 . 0 0 "[ . 1 . 2]" 1 239 1 10 LEU MD2 1 29 VAL MG1 2.228 . 2.849 2.630 2.490 2.798 . 0 0 "[ . 1 . 2]" 1 240 1 10 LEU MD2 1 10 LEU HG 2.477 . 3.244 2.142 2.092 2.190 . 0 0 "[ . 1 . 2]" 1 241 1 10 LEU MD2 1 11 ILE H 3.196 . 4.473 4.276 4.043 4.514 0.041 19 0 "[ . 1 . 2]" 1 242 1 10 LEU MD2 1 11 ILE MD 3.101 . 4.303 3.503 3.182 3.738 . 0 0 "[ . 1 . 2]" 1 243 1 10 LEU MD2 1 29 VAL MG1 2.156 . 2.737 2.759 2.546 3.070 0.333 6 0 "[ . 1 . 2]" 1 244 1 10 LEU MD2 1 29 VAL MG2 2.865 . 3.891 3.665 3.443 3.822 . 0 0 "[ . 1 . 2]" 1 245 1 10 LEU MD2 1 31 VAL MG1 2.321 . 2.994 2.524 2.287 3.023 0.029 19 0 "[ . 1 . 2]" 1 246 1 10 LEU MD2 1 44 PHE QE 2.722 . 3.648 2.777 2.630 2.925 . 0 0 "[ . 1 . 2]" 1 247 1 10 LEU MD2 1 44 PHE HZ 2.624 . 3.485 2.162 1.994 2.581 . 0 0 "[ . 1 . 2]" 1 248 1 10 LEU MD2 1 48 PHE QD 2.658 . 3.541 2.213 2.077 2.506 . 0 0 "[ . 1 . 2]" 1 249 1 10 LEU MD2 1 48 PHE HZ 3.430 . 4.900 4.153 3.765 4.397 . 0 0 "[ . 1 . 2]" 1 250 1 10 LEU MD2 1 107 MET ME 2.306 . 2.971 2.794 2.108 3.364 0.393 9 0 "[ . 1 . 2]" 1 251 1 10 LEU HG 1 11 ILE H 3.226 . 4.527 3.767 3.676 3.880 . 0 0 "[ . 1 . 2]" 1 252 1 10 LEU HG 1 107 MET ME 3.286 . 4.636 4.143 3.947 4.273 . 0 0 "[ . 1 . 2]" 1 253 1 11 ILE H 1 11 ILE HA 2.903 . 3.957 2.862 2.830 2.896 . 0 0 "[ . 1 . 2]" 1 254 1 11 ILE H 1 11 ILE HB 2.573 . 3.400 2.587 2.527 2.656 . 0 0 "[ . 1 . 2]" 1 255 1 11 ILE H 1 11 ILE MD 2.953 . 4.043 3.274 3.083 3.354 . 0 0 "[ . 1 . 2]" 1 256 1 11 ILE H 1 11 ILE HG12 2.862 . 3.886 2.196 2.096 2.288 . 0 0 "[ . 1 . 2]" 1 257 1 11 ILE H 1 11 ILE HG13 2.933 . 4.008 3.656 3.558 3.731 . 0 0 "[ . 1 . 2]" 1 258 1 11 ILE H 1 12 ALA H 2.521 . 3.315 2.683 2.600 2.767 . 0 0 "[ . 1 . 2]" 1 259 1 11 ILE H 1 12 ALA MB 3.147 . 4.385 4.376 4.301 4.443 0.058 19 0 "[ . 1 . 2]" 1 260 1 11 ILE HA 1 11 ILE HB 2.941 . 4.023 3.061 3.028 3.101 . 0 0 "[ . 1 . 2]" 1 261 1 11 ILE HA 1 11 ILE MD 2.491 . 3.266 2.140 2.009 2.211 . 0 0 "[ . 1 . 2]" 1 262 1 11 ILE HA 1 11 ILE HG12 2.925 . 3.994 3.143 3.113 3.171 . 0 0 "[ . 1 . 2]" 1 263 1 11 ILE HA 1 11 ILE HG13 2.962 . 4.059 3.761 3.725 3.808 . 0 0 "[ . 1 . 2]" 1 264 1 11 ILE HA 1 11 ILE MG 2.356 . 3.050 2.403 2.350 2.481 . 0 0 "[ . 1 . 2]" 1 265 1 11 ILE HA 1 12 ALA H 3.200 . 4.480 3.592 3.543 3.646 . 0 0 "[ . 1 . 2]" 1 266 1 11 ILE HA 1 13 LEU H 3.379 . 4.807 4.341 4.271 4.447 . 0 0 "[ . 1 . 2]" 1 267 1 11 ILE HA 1 14 CYS H 3.172 . 4.429 3.380 3.281 3.522 . 0 0 "[ . 1 . 2]" 1 268 1 11 ILE HA 1 14 CYS HB2 3.155 . 5.000 2.913 2.574 4.928 . 0 0 "[ . 1 . 2]" 1 269 1 11 ILE HA 1 14 CYS HB3 2.935 . 4.012 4.240 3.817 4.459 0.447 15 0 "[ . 1 . 2]" 1 270 1 11 ILE HB 1 11 ILE MD 2.556 . 3.372 3.322 3.272 3.361 . 0 0 "[ . 1 . 2]" 1 271 1 11 ILE HB 1 11 ILE HG12 2.940 . 4.020 2.465 2.418 2.508 . 0 0 "[ . 1 . 2]" 1 272 1 11 ILE HB 1 11 ILE MG 2.261 . 2.900 2.157 2.120 2.185 . 0 0 "[ . 1 . 2]" 1 273 1 11 ILE HB 1 12 ALA H 2.742 . 3.682 2.679 2.560 2.788 . 0 0 "[ . 1 . 2]" 1 274 1 11 ILE MD 1 11 ILE MG 2.086 . 2.630 2.138 2.071 2.266 . 0 0 "[ . 1 . 2]" 1 275 1 11 ILE MD 1 48 PHE HA 2.781 . 5.000 3.688 3.349 4.616 . 0 0 "[ . 1 . 2]" 1 276 1 11 ILE MD 1 48 PHE QD 2.926 . 5.000 3.516 3.140 5.143 0.143 19 0 "[ . 1 . 2]" 1 277 1 11 ILE MD 1 48 PHE QE 2.984 . 5.000 2.996 2.598 5.123 0.123 19 0 "[ . 1 . 2]" 1 278 1 11 ILE MD 1 48 PHE HZ 3.348 . 6.000 3.867 3.486 6.031 0.031 19 0 "[ . 1 . 2]" 1 279 1 11 ILE MD 1 51 PHE HB2 2.631 . 3.496 2.957 2.463 3.182 . 0 0 "[ . 1 . 2]" 1 280 1 11 ILE MD 1 51 PHE HB3 2.748 . 3.692 3.171 2.395 3.647 . 0 0 "[ . 1 . 2]" 1 281 1 11 ILE MD 1 52 ARG HA 2.410 . 3.136 2.397 2.086 3.250 0.114 20 0 "[ . 1 . 2]" 1 282 1 11 ILE MD 1 55 SER QB 3.087 . 4.278 3.923 3.021 4.431 0.153 17 0 "[ . 1 . 2]" 1 283 1 11 ILE MD 1 58 CYS HB2 3.143 . 4.378 2.750 2.402 3.160 . 0 0 "[ . 1 . 2]" 1 284 1 11 ILE HG12 1 11 ILE MG 2.618 . 3.475 3.228 3.178 3.269 . 0 0 "[ . 1 . 2]" 1 285 1 11 ILE HG13 1 11 ILE MG 2.662 . 3.548 2.322 2.238 2.377 . 0 0 "[ . 1 . 2]" 1 286 1 11 ILE MG 1 12 ALA H 2.700 . 3.611 3.533 3.463 3.602 . 0 0 "[ . 1 . 2]" 1 287 1 11 ILE MG 1 12 ALA HA 3.028 . 4.174 3.471 3.392 3.563 . 0 0 "[ . 1 . 2]" 1 288 1 11 ILE MG 1 12 ALA MB 3.065 . 4.239 4.078 3.982 4.143 . 0 0 "[ . 1 . 2]" 1 289 1 11 ILE MG 1 14 CYS HB3 3.274 . 5.000 4.901 4.637 5.233 0.233 11 0 "[ . 1 . 2]" 1 290 1 11 ILE MG 1 15 GLU H 3.172 . 4.429 4.073 3.953 4.402 . 0 0 "[ . 1 . 2]" 1 291 1 11 ILE MG 1 15 GLU HG2 3.006 . 4.136 3.979 3.866 4.158 0.022 10 0 "[ . 1 . 2]" 1 292 1 11 ILE MG 1 15 GLU HG3 2.850 . 3.865 2.853 2.758 3.120 . 0 0 "[ . 1 . 2]" 1 293 1 11 ILE MG 1 48 PHE QE 3.266 . 5.000 4.523 3.695 5.194 0.194 19 0 "[ . 1 . 2]" 1 294 1 11 ILE MG 1 52 ARG HA 3.134 . 4.361 3.610 3.071 4.604 0.243 9 0 "[ . 1 . 2]" 1 295 1 11 ILE MG 1 55 SER QB 2.662 . 3.548 2.420 2.058 2.754 . 0 0 "[ . 1 . 2]" 1 296 1 11 ILE MG 1 58 CYS HB2 3.167 . 4.420 3.039 2.400 3.957 . 0 0 "[ . 1 . 2]" 1 297 1 11 ILE MG 1 58 CYS HB3 3.257 . 4.583 3.580 3.200 4.071 . 0 0 "[ . 1 . 2]" 1 298 1 12 ALA H 1 12 ALA HA 2.398 . 3.117 2.883 2.856 2.915 . 0 0 "[ . 1 . 2]" 1 299 1 12 ALA H 1 12 ALA MB 1.960 . 2.440 2.228 2.184 2.268 . 0 0 "[ . 1 . 2]" 1 300 1 12 ALA H 1 13 LEU H 2.411 . 3.137 2.541 2.480 2.622 . 0 0 "[ . 1 . 2]" 1 301 1 12 ALA H 1 14 CYS H 3.322 . 4.701 4.017 3.962 4.137 . 0 0 "[ . 1 . 2]" 1 302 1 12 ALA HA 1 12 ALA MB 1.857 . 2.288 2.146 2.117 2.190 . 0 0 "[ . 1 . 2]" 1 303 1 12 ALA HA 1 13 LEU H 2.944 . 4.027 3.536 3.496 3.585 . 0 0 "[ . 1 . 2]" 1 304 1 12 ALA HA 1 14 CYS H 3.281 . 4.627 4.241 4.121 4.374 . 0 0 "[ . 1 . 2]" 1 305 1 12 ALA HA 1 15 GLU H 2.843 . 3.853 3.166 3.048 3.453 . 0 0 "[ . 1 . 2]" 1 306 1 12 ALA HA 1 15 GLU HB2 2.884 . 3.923 2.602 2.452 2.838 . 0 0 "[ . 1 . 2]" 1 307 1 12 ALA HA 1 15 GLU HB3 3.007 . 4.137 4.227 4.122 4.368 0.231 9 0 "[ . 1 . 2]" 1 308 1 12 ALA HA 1 15 GLU HG2 3.167 . 5.000 4.643 4.158 4.942 . 0 0 "[ . 1 . 2]" 1 309 1 12 ALA HA 1 15 GLU HG3 3.049 . 4.211 3.217 2.583 3.522 . 0 0 "[ . 1 . 2]" 1 310 1 12 ALA HA 1 16 GLU H 3.155 . 4.399 4.170 3.980 4.518 0.119 15 0 "[ . 1 . 2]" 1 311 1 12 ALA MB 1 13 LEU H 2.308 . 2.974 2.614 2.531 2.740 . 0 0 "[ . 1 . 2]" 1 312 1 12 ALA MB 1 13 LEU HA 2.968 . 4.069 3.849 3.746 3.977 . 0 0 "[ . 1 . 2]" 1 313 1 12 ALA MB 1 14 CYS H 3.330 . 4.716 4.470 4.379 4.618 . 0 0 "[ . 1 . 2]" 1 314 1 12 ALA MB 1 15 GLU H 3.141 . 4.374 4.399 4.270 4.562 0.188 11 0 "[ . 1 . 2]" 1 315 1 12 ALA MB 1 15 GLU HB2 2.820 . 3.814 3.901 3.744 4.036 0.222 9 0 "[ . 1 . 2]" 1 316 1 12 ALA MB 1 15 GLU HG3 3.302 . 4.665 4.756 4.216 5.002 0.337 19 0 "[ . 1 . 2]" 1 317 1 12 ALA MB 1 16 GLU H 3.120 . 4.337 4.478 4.363 4.756 0.419 15 0 "[ . 1 . 2]" 1 318 1 13 LEU H 1 13 LEU HA 2.465 . 3.224 2.847 2.818 2.894 . 0 0 "[ . 1 . 2]" 1 319 1 13 LEU H 1 13 LEU HB2 2.525 . 3.322 2.404 2.326 2.472 . 0 0 "[ . 1 . 2]" 1 320 1 13 LEU H 1 13 LEU HB3 2.600 . 3.445 2.525 2.460 2.624 . 0 0 "[ . 1 . 2]" 1 321 1 13 LEU H 1 13 LEU MD1 2.861 . 3.884 4.065 3.956 4.181 0.297 8 0 "[ . 1 . 2]" 1 322 1 13 LEU H 1 14 CYS H 2.563 . 3.384 2.570 2.483 2.724 . 0 0 "[ . 1 . 2]" 1 323 1 13 LEU H 1 15 GLU H 3.197 . 4.475 3.985 3.931 4.062 . 0 0 "[ . 1 . 2]" 1 324 1 13 LEU HA 1 13 LEU HB2 2.452 . 3.203 2.485 2.403 2.544 . 0 0 "[ . 1 . 2]" 1 325 1 13 LEU HA 1 13 LEU HB3 2.540 . 3.346 3.012 2.965 3.044 . 0 0 "[ . 1 . 2]" 1 326 1 13 LEU HA 1 13 LEU MD1 1.984 . 2.476 2.172 2.067 2.268 . 0 0 "[ . 1 . 2]" 1 327 1 13 LEU HA 1 13 LEU HG 2.739 . 3.677 3.143 3.036 3.200 . 0 0 "[ . 1 . 2]" 1 328 1 13 LEU HA 1 14 CYS H 3.007 . 4.137 3.532 3.497 3.583 . 0 0 "[ . 1 . 2]" 1 329 1 13 LEU HA 1 15 GLU H 3.257 . 4.583 4.338 4.136 4.478 . 0 0 "[ . 1 . 2]" 1 330 1 13 LEU HA 1 16 GLU H 2.610 . 3.462 3.281 3.151 3.401 . 0 0 "[ . 1 . 2]" 1 331 1 13 LEU HA 1 16 GLU HG2 2.713 . 3.633 2.267 2.065 2.721 . 0 0 "[ . 1 . 2]" 1 332 1 13 LEU HA 1 16 GLU HG3 2.770 . 3.729 3.408 3.305 3.561 . 0 0 "[ . 1 . 2]" 1 333 1 13 LEU HA 1 17 HIS H 3.239 . 4.550 4.245 4.106 4.660 0.110 15 0 "[ . 1 . 2]" 1 334 1 13 LEU HB2 1 13 LEU MD1 2.356 . 3.050 2.360 2.231 2.429 . 0 0 "[ . 1 . 2]" 1 335 1 13 LEU HB2 1 13 LEU MD2 2.337 . 3.019 2.347 2.270 2.402 . 0 0 "[ . 1 . 2]" 1 336 1 13 LEU HB2 1 13 LEU HG 2.638 . 3.508 3.016 2.972 3.061 . 0 0 "[ . 1 . 2]" 1 337 1 13 LEU HB2 1 14 CYS H 2.993 . 4.112 3.807 3.694 3.869 . 0 0 "[ . 1 . 2]" 1 338 1 13 LEU HB3 1 13 LEU MD1 2.488 . 3.262 3.214 3.166 3.242 . 0 0 "[ . 1 . 2]" 1 339 1 13 LEU HB3 1 13 LEU MD2 2.379 . 3.086 2.285 2.206 2.350 . 0 0 "[ . 1 . 2]" 1 340 1 13 LEU HB3 1 13 LEU HG 2.713 . 3.633 2.454 2.388 2.517 . 0 0 "[ . 1 . 2]" 1 341 1 13 LEU HB3 1 14 CYS H 2.869 . 3.898 2.603 2.526 2.642 . 0 0 "[ . 1 . 2]" 1 342 1 13 LEU MD1 1 13 LEU MD2 1.734 . 2.110 2.079 2.037 2.119 0.009 9 0 "[ . 1 . 2]" 1 343 1 13 LEU MD1 1 13 LEU HG 2.216 . 2.830 2.138 2.102 2.171 . 0 0 "[ . 1 . 2]" 1 344 1 13 LEU MD1 1 14 CYS H 3.186 . 4.455 4.629 4.568 4.714 0.259 2 0 "[ . 1 . 2]" 1 345 1 13 LEU MD1 1 16 GLU H 3.134 . 4.362 4.533 4.410 4.761 0.399 17 0 "[ . 1 . 2]" 1 346 1 13 LEU MD1 1 16 GLU HG2 2.927 . 3.998 2.586 2.395 2.898 . 0 0 "[ . 1 . 2]" 1 347 1 13 LEU MD1 1 16 GLU HG3 2.861 . 3.884 3.309 3.149 3.742 . 0 0 "[ . 1 . 2]" 1 348 1 13 LEU MD1 1 109 LEU MD1 2.578 . 3.409 3.336 3.144 3.478 0.069 6 0 "[ . 1 . 2]" 1 349 1 13 LEU MD2 1 13 LEU HG 2.266 . 2.908 2.152 2.111 2.200 . 0 0 "[ . 1 . 2]" 1 350 1 13 LEU MD2 1 14 CYS H 3.095 . 4.292 4.412 4.328 4.514 0.222 12 0 "[ . 1 . 2]" 1 351 1 13 LEU MD2 1 109 LEU HB3 3.259 . 4.586 4.652 4.421 4.932 0.346 6 0 "[ . 1 . 2]" 1 352 1 13 LEU MD2 1 109 LEU MD1 2.283 . 2.934 2.286 2.155 2.430 . 0 0 "[ . 1 . 2]" 1 353 1 13 LEU MD2 1 109 LEU MD2 2.641 . 3.513 3.606 3.223 3.959 0.446 14 0 "[ . 1 . 2]" 1 354 1 13 LEU MD2 1 109 LEU HG 3.263 . 4.594 2.583 2.356 2.851 . 0 0 "[ . 1 . 2]" 1 355 1 13 LEU HG 1 17 HIS HD2 2.969 . 4.071 2.309 2.134 3.361 . 0 0 "[ . 1 . 2]" 1 356 1 13 LEU HG 1 109 LEU MD1 2.944 . 4.028 2.190 2.052 2.339 . 0 0 "[ . 1 . 2]" 1 357 1 14 CYS H 1 14 CYS HA 2.798 . 3.777 2.892 2.865 2.927 . 0 0 "[ . 1 . 2]" 1 358 1 14 CYS H 1 14 CYS HB2 2.977 . 4.085 2.560 2.397 3.730 . 0 0 "[ . 1 . 2]" 1 359 1 14 CYS H 1 14 CYS HB3 2.822 . 3.818 3.489 2.449 3.630 . 0 0 "[ . 1 . 2]" 1 360 1 14 CYS H 1 15 GLU H 2.617 . 3.473 2.580 2.453 2.663 . 0 0 "[ . 1 . 2]" 1 361 1 14 CYS H 1 16 GLU H 3.250 . 4.570 4.108 3.982 4.224 . 0 0 "[ . 1 . 2]" 1 362 1 14 CYS HA 1 14 CYS HB2 2.757 . 3.707 2.981 2.322 3.078 . 0 0 "[ . 1 . 2]" 1 363 1 14 CYS HA 1 14 CYS HB3 2.777 . 3.741 2.499 2.436 2.529 . 0 0 "[ . 1 . 2]" 1 364 1 14 CYS HA 1 17 HIS H 3.283 . 4.630 3.429 3.285 3.587 . 0 0 "[ . 1 . 2]" 1 365 1 14 CYS HA 1 17 HIS HB2 3.149 . 4.388 2.778 2.619 2.908 . 0 0 "[ . 1 . 2]" 1 366 1 14 CYS HA 1 17 HIS HB2 3.128 . 4.351 2.770 2.615 2.901 . 0 0 "[ . 1 . 2]" 1 367 1 14 CYS HA 1 17 HIS HB3 3.060 . 4.231 4.445 4.250 4.557 0.326 1 0 "[ . 1 . 2]" 1 368 1 14 CYS HA 1 17 HIS HD2 3.473 . 5.500 3.071 2.731 5.897 0.397 15 0 "[ . 1 . 2]" 1 369 1 14 CYS HA 1 18 ALA H 3.274 . 4.614 4.240 4.078 4.440 . 0 0 "[ . 1 . 2]" 1 370 1 14 CYS HA 1 26 ILE MD 2.681 . 3.580 3.225 3.026 3.470 . 0 0 "[ . 1 . 2]" 1 371 1 14 CYS HA 1 109 LEU MD1 3.234 . 4.541 3.191 2.685 3.580 . 0 0 "[ . 1 . 2]" 1 372 1 14 CYS HA 1 112 LEU MD2 2.570 . 3.395 2.693 2.173 3.087 . 0 0 "[ . 1 . 2]" 1 373 1 14 CYS HB2 1 15 GLU H 3.209 . 4.497 2.831 2.603 4.167 . 0 0 "[ . 1 . 2]" 1 374 1 14 CYS HB2 1 26 ILE MD 2.547 . 3.358 3.133 2.050 3.396 0.038 4 0 "[ . 1 . 2]" 1 375 1 14 CYS HB3 1 15 GLU H 3.002 . 4.129 3.720 3.616 4.136 0.007 10 0 "[ . 1 . 2]" 1 376 1 14 CYS HB3 1 26 ILE MD 2.730 . 3.662 2.166 1.924 3.559 . 0 0 "[ . 1 . 2]" 1 377 1 15 GLU H 1 15 GLU HA 2.576 . 3.406 2.867 2.847 2.894 . 0 0 "[ . 1 . 2]" 1 378 1 15 GLU H 1 15 GLU HB2 2.766 . 3.722 2.466 2.401 2.538 . 0 0 "[ . 1 . 2]" 1 379 1 15 GLU H 1 15 GLU HB3 2.803 . 3.785 3.618 3.575 3.658 . 0 0 "[ . 1 . 2]" 1 380 1 15 GLU H 1 15 GLU HG2 2.775 . 3.738 3.571 3.459 3.648 . 0 0 "[ . 1 . 2]" 1 381 1 15 GLU H 1 15 GLU HG3 2.656 . 3.537 2.426 2.298 2.509 . 0 0 "[ . 1 . 2]" 1 382 1 15 GLU H 1 16 GLU H 2.479 . 3.247 2.769 2.689 2.877 . 0 0 "[ . 1 . 2]" 1 383 1 15 GLU H 1 26 ILE MD 3.150 . 4.390 4.215 3.955 4.460 0.070 4 0 "[ . 1 . 2]" 1 384 1 15 GLU H 1 57 VAL MG1 3.180 . 4.444 4.472 4.186 4.828 0.384 17 0 "[ . 1 . 2]" 1 385 1 15 GLU HA 1 15 GLU HB2 2.753 . 3.700 3.025 2.976 3.051 . 0 0 "[ . 1 . 2]" 1 386 1 15 GLU HA 1 15 GLU HB3 2.701 . 3.613 2.499 2.393 2.540 . 0 0 "[ . 1 . 2]" 1 387 1 15 GLU HA 1 15 GLU HG2 2.556 . 3.372 2.501 2.391 2.581 . 0 0 "[ . 1 . 2]" 1 388 1 15 GLU HA 1 15 GLU HG3 2.558 . 3.376 3.058 3.005 3.126 . 0 0 "[ . 1 . 2]" 1 389 1 15 GLU HA 1 16 GLU H 2.806 . 3.790 3.625 3.555 3.674 . 0 0 "[ . 1 . 2]" 1 390 1 15 GLU HA 1 17 HIS H 3.252 . 4.574 4.242 4.160 4.313 . 0 0 "[ . 1 . 2]" 1 391 1 15 GLU HA 1 18 ALA H 3.165 . 4.417 3.103 2.964 3.293 . 0 0 "[ . 1 . 2]" 1 392 1 15 GLU HA 1 18 ALA MB 2.283 . 2.934 2.467 2.298 2.644 . 0 0 "[ . 1 . 2]" 1 393 1 15 GLU HA 1 26 ILE MD 3.020 . 4.160 3.429 3.030 3.816 . 0 0 "[ . 1 . 2]" 1 394 1 15 GLU HA 1 57 VAL MG1 2.438 . 3.181 2.601 2.414 2.903 . 0 0 "[ . 1 . 2]" 1 395 1 15 GLU HB2 1 15 GLU HG2 2.966 . 4.066 3.032 2.996 3.077 . 0 0 "[ . 1 . 2]" 1 396 1 15 GLU HB2 1 15 GLU HG3 2.848 . 3.862 2.480 2.431 2.536 . 0 0 "[ . 1 . 2]" 1 397 1 15 GLU HB2 1 16 GLU H 3.047 . 4.208 2.835 2.673 2.967 . 0 0 "[ . 1 . 2]" 1 398 1 15 GLU HB2 1 16 GLU HA 3.070 . 4.248 4.365 4.205 4.486 0.238 3 0 "[ . 1 . 2]" 1 399 1 15 GLU HB3 1 15 GLU HG2 2.811 . 3.799 2.457 2.406 2.494 . 0 0 "[ . 1 . 2]" 1 400 1 15 GLU HB3 1 15 GLU HG3 2.838 . 3.845 3.022 2.965 3.058 . 0 0 "[ . 1 . 2]" 1 401 1 15 GLU HB3 1 16 GLU H 3.001 . 4.127 3.741 3.588 3.830 . 0 0 "[ . 1 . 2]" 1 402 1 15 GLU HB3 1 18 ALA MB 3.179 . 4.442 3.911 3.706 4.074 . 0 0 "[ . 1 . 2]" 1 403 1 15 GLU HB3 1 57 VAL MG1 3.110 . 4.319 4.113 3.718 4.326 0.007 19 0 "[ . 1 . 2]" 1 404 1 15 GLU HB3 1 57 VAL MG2 3.072 . 4.252 3.997 3.765 4.507 0.255 17 0 "[ . 1 . 2]" 1 405 1 15 GLU HG2 1 57 VAL HB 2.928 . 4.000 2.717 2.424 2.924 . 0 0 "[ . 1 . 2]" 1 406 1 15 GLU HG2 1 57 VAL MG1 2.865 . 3.891 2.766 2.422 3.165 . 0 0 "[ . 1 . 2]" 1 407 1 15 GLU HG2 1 57 VAL MG2 2.495 . 3.273 2.775 2.322 3.273 . 0 0 "[ . 1 . 2]" 1 408 1 15 GLU HG3 1 57 VAL HB 3.214 . 4.506 3.774 3.542 3.967 . 0 0 "[ . 1 . 2]" 1 409 1 15 GLU HG3 1 57 VAL MG1 2.987 . 4.102 3.790 3.540 4.057 . 0 0 "[ . 1 . 2]" 1 410 1 16 GLU H 1 16 GLU HA 2.322 . 2.996 2.879 2.845 2.922 . 0 0 "[ . 1 . 2]" 1 411 1 16 GLU H 1 16 GLU QB 2.190 . 2.789 2.614 2.517 2.688 . 0 0 "[ . 1 . 2]" 1 412 1 16 GLU H 1 16 GLU HG2 2.557 . 3.374 2.518 2.387 2.604 . 0 0 "[ . 1 . 2]" 1 413 1 16 GLU H 1 17 HIS H 2.441 . 3.186 2.578 2.437 2.646 . 0 0 "[ . 1 . 2]" 1 414 1 16 GLU H 1 18 ALA H 3.113 . 4.324 3.945 3.863 4.006 . 0 0 "[ . 1 . 2]" 1 415 1 16 GLU H 1 18 ALA MB 3.244 . 4.559 4.757 4.668 4.840 0.281 9 0 "[ . 1 . 2]" 1 416 1 16 GLU HA 1 16 GLU QB 2.197 . 2.801 2.154 2.091 2.180 . 0 0 "[ . 1 . 2]" 1 417 1 16 GLU HA 1 17 HIS H 2.878 . 3.913 3.532 3.478 3.576 . 0 0 "[ . 1 . 2]" 1 418 1 16 GLU HA 1 17 HIS HA 3.223 . 4.521 4.741 4.651 4.811 0.290 10 0 "[ . 1 . 2]" 1 419 1 16 GLU HA 1 18 ALA H 3.038 . 4.191 4.045 3.901 4.138 . 0 0 "[ . 1 . 2]" 1 420 1 16 GLU HA 1 19 LYS H 2.236 . 2.861 2.645 2.550 2.700 . 0 0 "[ . 1 . 2]" 1 421 1 16 GLU HA 1 19 LYS HG2 2.419 . 3.150 2.563 2.088 2.645 . 0 0 "[ . 1 . 2]" 1 422 1 16 GLU HA 1 19 LYS HG3 2.423 . 3.157 2.664 2.362 3.316 0.159 8 0 "[ . 1 . 2]" 1 423 1 16 GLU HA 1 20 LYS H 2.640 . 3.511 3.372 3.313 3.412 . 0 0 "[ . 1 . 2]" 1 424 1 16 GLU HA 1 19 LYS QD 2.322 . 2.996 2.443 2.134 3.011 0.015 8 0 "[ . 1 . 2]" 1 425 1 16 GLU HA 1 19 LYS QE 2.677 . 5.000 3.363 2.666 4.436 . 0 0 "[ . 1 . 2]" 1 426 1 16 GLU HA 1 19 LYS QE 2.542 . 5.000 3.262 2.652 4.041 . 0 0 "[ . 1 . 2]" 1 427 1 16 GLU QB 1 16 GLU HG2 1.902 . 2.354 2.353 2.314 2.398 0.044 5 0 "[ . 1 . 2]" 1 428 1 16 GLU QB 1 16 GLU HG2 2.054 . 2.582 2.215 2.094 2.308 . 0 0 "[ . 1 . 2]" 1 429 1 16 GLU QB 1 16 GLU HG3 1.884 . 2.328 2.320 2.266 2.364 0.036 16 0 "[ . 1 . 2]" 1 430 1 16 GLU QB 1 17 HIS HA 3.247 . 4.565 4.561 4.495 4.638 0.073 13 0 "[ . 1 . 2]" 1 431 1 16 GLU QB 1 19 LYS QB 3.214 . 4.506 3.789 3.546 4.807 0.301 8 0 "[ . 1 . 2]" 1 432 1 16 GLU QB 1 19 LYS QD 3.231 . 4.536 3.217 2.855 3.428 . 0 0 "[ . 1 . 2]" 1 433 1 16 GLU HG2 1 17 HIS H 3.054 . 4.220 2.785 2.624 2.928 . 0 0 "[ . 1 . 2]" 1 434 1 16 GLU HG2 1 17 HIS HA 3.234 . 4.541 4.668 4.538 4.836 0.295 17 0 "[ . 1 . 2]" 1 435 1 16 GLU HG3 1 17 HIS H 2.851 . 3.867 2.866 2.726 3.010 . 0 0 "[ . 1 . 2]" 1 436 1 16 GLU HG3 1 17 HIS HA 3.206 . 4.491 3.486 3.328 3.599 . 0 0 "[ . 1 . 2]" 1 437 1 16 GLU HG3 1 20 LYS QD 2.854 . 3.872 3.492 2.629 3.948 0.076 14 0 "[ . 1 . 2]" 1 438 1 16 GLU HG3 1 20 LYS QE 2.783 . 5.000 2.899 2.390 4.884 . 0 0 "[ . 1 . 2]" 1 439 1 16 GLU HG3 1 20 LYS HG3 3.194 . 4.470 3.957 3.746 4.312 . 0 0 "[ . 1 . 2]" 1 440 1 17 HIS H 1 17 HIS HA 2.530 . 3.330 2.908 2.882 2.939 . 0 0 "[ . 1 . 2]" 1 441 1 17 HIS H 1 17 HIS HB2 2.737 . 3.673 2.436 2.346 2.485 . 0 0 "[ . 1 . 2]" 1 442 1 17 HIS H 1 17 HIS HB3 2.579 . 3.411 3.631 3.579 3.685 0.274 5 0 "[ . 1 . 2]" 1 443 1 17 HIS H 1 18 ALA H 2.519 . 3.312 2.534 2.452 2.618 . 0 0 "[ . 1 . 2]" 1 444 1 17 HIS H 1 19 LYS H 3.206 . 4.491 4.080 3.918 4.255 . 0 0 "[ . 1 . 2]" 1 445 1 17 HIS H 1 112 LEU MD2 3.159 . 4.407 4.443 4.039 4.855 0.448 8 0 "[ . 1 . 2]" 1 446 1 17 HIS HA 1 17 HIS HB2 2.605 . 3.453 3.029 2.988 3.061 . 0 0 "[ . 1 . 2]" 1 447 1 17 HIS HA 1 17 HIS HB3 2.631 . 3.496 2.504 2.462 2.557 . 0 0 "[ . 1 . 2]" 1 448 1 17 HIS HA 1 17 HIS HD2 3.413 . 4.869 4.316 3.434 4.440 . 0 0 "[ . 1 . 2]" 1 449 1 17 HIS HA 1 18 ALA H 2.983 . 4.096 3.546 3.470 3.583 . 0 0 "[ . 1 . 2]" 1 450 1 17 HIS HA 1 20 LYS H 2.916 . 3.979 3.013 2.828 3.302 . 0 0 "[ . 1 . 2]" 1 451 1 17 HIS HA 1 20 LYS QB 2.593 . 3.433 2.336 2.179 2.570 . 0 0 "[ . 1 . 2]" 1 452 1 17 HIS HA 1 20 LYS QD 2.721 . 3.647 2.486 2.262 2.696 . 0 0 "[ . 1 . 2]" 1 453 1 17 HIS HA 1 20 LYS QE 2.863 . 3.888 3.812 3.318 4.058 0.170 8 0 "[ . 1 . 2]" 1 454 1 17 HIS HA 1 20 LYS HG2 3.045 . 5.000 4.467 4.065 4.809 . 0 0 "[ . 1 . 2]" 1 455 1 17 HIS HA 1 20 LYS HG3 3.111 . 4.321 3.103 2.624 3.493 . 0 0 "[ . 1 . 2]" 1 456 1 17 HIS HA 1 21 ASN H 3.283 . 4.630 4.056 3.904 4.251 . 0 0 "[ . 1 . 2]" 1 457 1 17 HIS HA 1 112 LEU MD2 3.220 . 5.000 4.710 4.509 5.126 0.126 8 0 "[ . 1 . 2]" 1 458 1 17 HIS HA 1 114 MET ME 3.032 . 4.181 4.128 3.967 4.310 0.129 4 0 "[ . 1 . 2]" 1 459 1 17 HIS HB2 1 17 HIS HD2 3.327 . 4.711 2.895 2.791 3.885 . 0 0 "[ . 1 . 2]" 1 460 1 17 HIS HB2 1 18 ALA H 2.953 . 4.043 2.899 2.788 3.088 . 0 0 "[ . 1 . 2]" 1 461 1 17 HIS HB2 1 112 LEU MD2 2.838 . 3.845 2.544 2.204 2.966 . 0 0 "[ . 1 . 2]" 1 462 1 17 HIS HB2 1 114 MET ME 2.662 . 3.548 3.298 3.035 3.874 0.326 15 0 "[ . 1 . 2]" 1 463 1 17 HIS HB3 1 17 HIS HD2 3.346 . 4.745 3.780 2.744 3.889 . 0 0 "[ . 1 . 2]" 1 464 1 17 HIS HB3 1 18 ALA H 2.869 . 3.898 3.745 3.639 3.918 0.020 9 0 "[ . 1 . 2]" 1 465 1 17 HIS HB3 1 112 LEU MD2 2.705 . 3.619 2.654 2.391 3.086 . 0 0 "[ . 1 . 2]" 1 466 1 17 HIS HB3 1 114 MET ME 2.743 . 3.684 2.819 2.364 3.097 . 0 0 "[ . 1 . 2]" 1 467 1 17 HIS HD2 1 109 LEU MD1 3.226 . 4.527 2.527 2.244 3.996 . 0 0 "[ . 1 . 2]" 1 468 1 17 HIS HD2 1 112 LEU MD2 3.284 . 4.632 3.624 3.154 4.292 . 0 0 "[ . 1 . 2]" 1 469 1 18 ALA H 1 18 ALA HA 2.554 . 3.369 2.858 2.825 2.906 . 0 0 "[ . 1 . 2]" 1 470 1 18 ALA H 1 18 ALA MB 2.134 . 2.703 2.252 2.197 2.307 . 0 0 "[ . 1 . 2]" 1 471 1 18 ALA H 1 19 LYS H 2.552 . 3.366 2.676 2.497 2.879 . 0 0 "[ . 1 . 2]" 1 472 1 18 ALA H 1 20 LYS H 3.279 . 4.623 4.037 3.827 4.147 . 0 0 "[ . 1 . 2]" 1 473 1 18 ALA H 1 26 ILE MD 3.084 . 4.273 3.409 3.122 3.748 . 0 0 "[ . 1 . 2]" 1 474 1 18 ALA H 1 114 MET ME 3.142 . 4.376 3.430 3.140 4.276 . 0 0 "[ . 1 . 2]" 1 475 1 18 ALA HA 1 18 ALA MB 1.977 . 2.466 2.148 2.108 2.194 . 0 0 "[ . 1 . 2]" 1 476 1 18 ALA HA 1 19 LYS H 2.973 . 4.078 3.581 3.506 3.642 . 0 0 "[ . 1 . 2]" 1 477 1 18 ALA HA 1 21 ASN H 3.023 . 4.166 3.400 3.294 3.582 . 0 0 "[ . 1 . 2]" 1 478 1 18 ALA HA 1 21 ASN HB2 3.188 . 4.458 4.058 3.714 4.526 0.068 11 0 "[ . 1 . 2]" 1 479 1 18 ALA HA 1 21 ASN HB3 2.941 . 4.022 3.136 2.903 3.519 . 0 0 "[ . 1 . 2]" 1 480 1 18 ALA HA 1 23 ALA H 2.768 . 3.726 3.349 3.123 3.591 . 0 0 "[ . 1 . 2]" 1 481 1 18 ALA HA 1 23 ALA MB 2.210 . 2.821 2.491 2.222 3.018 0.197 11 0 "[ . 1 . 2]" 1 482 1 18 ALA HA 1 26 ILE MD 3.167 . 4.420 3.844 3.411 4.257 . 0 0 "[ . 1 . 2]" 1 483 1 18 ALA HA 1 57 VAL MG1 3.137 . 5.000 4.512 4.145 4.968 . 0 0 "[ . 1 . 2]" 1 484 1 18 ALA HA 1 114 MET ME 2.257 . 2.894 2.120 1.907 3.112 0.218 2 0 "[ . 1 . 2]" 1 485 1 18 ALA MB 1 19 LYS H 2.348 . 3.037 2.632 2.513 2.824 . 0 0 "[ . 1 . 2]" 1 486 1 18 ALA MB 1 19 LYS HA 2.814 . 3.804 3.534 3.452 3.613 . 0 0 "[ . 1 . 2]" 1 487 1 18 ALA MB 1 20 LYS H 3.285 . 4.634 4.511 4.460 4.642 0.008 5 0 "[ . 1 . 2]" 1 488 1 18 ALA MB 1 21 ASN HB2 3.213 . 5.000 4.948 4.403 5.459 0.459 10 0 "[ . 1 . 2]" 1 489 1 18 ALA MB 1 21 ASN HB3 3.291 . 4.645 4.599 4.403 4.913 0.268 10 0 "[ . 1 . 2]" 1 490 1 18 ALA MB 1 23 ALA H 2.779 . 3.745 3.539 3.391 3.708 . 0 0 "[ . 1 . 2]" 1 491 1 18 ALA MB 1 23 ALA MB 2.203 . 5.000 2.956 2.505 3.493 . 0 0 "[ . 1 . 2]" 1 492 1 18 ALA MB 1 26 ILE MD 2.155 . 2.735 2.353 2.161 2.744 0.009 19 0 "[ . 1 . 2]" 1 493 1 18 ALA MB 1 26 ILE HG13 2.260 . 5.000 3.146 2.902 3.588 . 0 0 "[ . 1 . 2]" 1 494 1 18 ALA MB 1 57 VAL MG1 2.020 . 2.530 2.324 2.096 2.681 0.151 3 0 "[ . 1 . 2]" 1 495 1 18 ALA MB 1 112 LEU MD2 3.069 . 4.246 4.315 3.901 4.739 0.493 19 0 "[ . 1 . 2]" 1 496 1 19 LYS H 1 19 LYS QB 2.125 . 2.689 2.421 2.328 2.540 . 0 0 "[ . 1 . 2]" 1 497 1 19 LYS H 1 19 LYS QD 2.863 . 3.887 3.714 3.516 3.912 0.025 8 0 "[ . 1 . 2]" 1 498 1 19 LYS H 1 19 LYS QE 3.217 . 4.511 4.329 4.087 4.765 0.254 4 0 "[ . 1 . 2]" 1 499 1 19 LYS H 1 19 LYS HG2 2.934 . 4.010 3.410 2.341 3.627 . 0 0 "[ . 1 . 2]" 1 500 1 19 LYS H 1 19 LYS HG3 2.685 . 3.586 2.282 2.169 3.504 . 0 0 "[ . 1 . 2]" 1 501 1 19 LYS H 1 20 LYS H 2.485 . 3.257 2.583 2.473 2.667 . 0 0 "[ . 1 . 2]" 1 502 1 19 LYS H 1 21 ASN H 3.305 . 4.670 4.018 3.840 4.176 . 0 0 "[ . 1 . 2]" 1 503 1 19 LYS HA 1 19 LYS QB 1.953 . 2.430 2.383 2.158 2.459 0.029 12 0 "[ . 1 . 2]" 1 504 1 19 LYS HA 1 21 ASN H 3.148 . 4.387 4.137 3.927 4.286 . 0 0 "[ . 1 . 2]" 1 505 1 19 LYS HA 1 22 GLN H 2.983 . 4.095 3.476 3.255 3.723 . 0 0 "[ . 1 . 2]" 1 506 1 19 LYS HA 1 22 GLN HA 2.798 . 3.776 3.558 3.311 3.843 0.067 20 0 "[ . 1 . 2]" 1 507 1 19 LYS HA 1 23 ALA H 2.961 . 4.057 3.808 3.452 4.244 0.187 17 0 "[ . 1 . 2]" 1 508 1 19 LYS QB 1 19 LYS QD 2.151 . 2.729 1.998 1.908 2.230 . 0 0 "[ . 1 . 2]" 1 509 1 19 LYS QB 1 19 LYS QE 2.534 . 3.337 3.254 2.101 3.638 0.301 7 0 "[ . 1 . 2]" 1 510 1 19 LYS QB 1 19 LYS QE 2.973 . 4.077 2.595 1.894 3.291 . 0 0 "[ . 1 . 2]" 1 511 1 19 LYS QB 1 19 LYS HG2 2.379 . 3.086 2.366 2.321 2.409 . 0 0 "[ . 1 . 2]" 1 512 1 19 LYS QB 1 19 LYS HG2 3.082 . 4.269 2.002 1.969 2.040 . 0 0 "[ . 1 . 2]" 1 513 1 19 LYS QB 1 19 LYS HG3 2.395 . 3.112 2.356 2.319 2.426 . 0 0 "[ . 1 . 2]" 1 514 1 19 LYS QB 1 20 LYS H 2.398 . 5.000 2.632 2.485 3.622 . 0 0 "[ . 1 . 2]" 1 515 1 19 LYS QD 1 19 LYS QE 1.845 . 2.271 1.824 1.773 1.871 . 0 0 "[ . 1 . 2]" 1 516 1 19 LYS QD 1 19 LYS QE 1.975 . 2.463 1.715 1.679 1.750 . 0 0 "[ . 1 . 2]" 1 517 1 19 LYS QD 1 19 LYS QE 1.921 . 2.382 1.868 1.823 1.899 . 0 0 "[ . 1 . 2]" 1 518 1 19 LYS QD 1 19 LYS HG2 2.049 . 2.574 2.369 2.317 2.418 . 0 0 "[ . 1 . 2]" 1 519 1 19 LYS QD 1 19 LYS HG2 2.006 . 2.509 1.966 1.937 1.982 . 0 0 "[ . 1 . 2]" 1 520 1 19 LYS QD 1 19 LYS HG3 1.977 . 2.466 2.311 2.116 2.399 . 0 0 "[ . 1 . 2]" 1 521 1 19 LYS QD 1 19 LYS HG3 2.055 . 2.583 1.899 1.832 1.939 . 0 0 "[ . 1 . 2]" 1 522 1 19 LYS QD 1 19 LYS HG3 1.924 . 2.387 2.007 1.904 2.112 . 0 0 "[ . 1 . 2]" 1 523 1 19 LYS QD 1 20 LYS H 3.233 . 4.539 4.642 4.506 4.843 0.304 7 0 "[ . 1 . 2]" 1 524 1 19 LYS QE 1 19 LYS HG2 2.247 . 2.878 2.187 2.113 2.360 . 0 0 "[ . 1 . 2]" 1 525 1 19 LYS QE 1 19 LYS HG2 2.258 . 2.895 2.112 2.001 2.274 . 0 0 "[ . 1 . 2]" 1 526 1 19 LYS QE 1 19 LYS HG2 2.276 . 2.923 2.021 1.888 2.194 . 0 0 "[ . 1 . 2]" 1 527 1 19 LYS QE 1 19 LYS HG2 2.734 . 3.669 2.204 1.980 2.594 . 0 0 "[ . 1 . 2]" 1 528 1 19 LYS QE 1 19 LYS HG3 2.265 . 2.906 2.047 1.863 2.218 . 0 0 "[ . 1 . 2]" 1 529 1 19 LYS QE 1 19 LYS HG3 2.421 . 3.153 2.346 2.107 2.832 . 0 0 "[ . 1 . 2]" 1 530 1 19 LYS QE 1 19 LYS HG3 2.372 . 3.075 2.405 2.058 2.999 . 0 0 "[ . 1 . 2]" 1 531 1 19 LYS HG2 1 20 LYS H 2.714 . 3.634 3.480 2.697 3.587 . 0 0 "[ . 1 . 2]" 1 532 1 20 LYS H 1 20 LYS HA 2.340 . 3.024 2.890 2.829 2.928 . 0 0 "[ . 1 . 2]" 1 533 1 20 LYS H 1 20 LYS QB 2.213 . 2.825 2.400 2.285 2.512 . 0 0 "[ . 1 . 2]" 1 534 1 20 LYS H 1 20 LYS QD 2.960 . 4.055 3.840 3.628 3.920 . 0 0 "[ . 1 . 2]" 1 535 1 20 LYS H 1 20 LYS QE 3.280 . 4.624 4.418 4.226 4.837 0.213 2 0 "[ . 1 . 2]" 1 536 1 20 LYS H 1 20 LYS HG3 2.660 . 3.544 2.402 2.325 2.512 . 0 0 "[ . 1 . 2]" 1 537 1 20 LYS H 1 21 ASN H 2.466 . 3.226 2.551 2.428 2.651 . 0 0 "[ . 1 . 2]" 1 538 1 20 LYS H 1 22 GLN H 3.300 . 4.662 3.889 3.697 4.058 . 0 0 "[ . 1 . 2]" 1 539 1 20 LYS HA 1 20 LYS QB 2.137 . 2.708 2.382 2.354 2.428 . 0 0 "[ . 1 . 2]" 1 540 1 20 LYS HA 1 20 LYS QD 2.480 . 3.249 3.134 2.659 3.397 0.148 7 0 "[ . 1 . 2]" 1 541 1 20 LYS HA 1 20 LYS QE 3.163 . 4.414 4.546 4.032 4.706 0.292 20 0 "[ . 1 . 2]" 1 542 1 20 LYS HA 1 20 LYS QE 3.031 . 4.179 4.370 3.985 4.576 0.397 20 0 "[ . 1 . 2]" 1 543 1 20 LYS HA 1 20 LYS HG2 2.411 . 3.138 2.545 2.447 2.630 . 0 0 "[ . 1 . 2]" 1 544 1 20 LYS HA 1 20 LYS QG 2.460 . 3.217 2.423 2.344 2.481 . 0 0 "[ . 1 . 2]" 1 545 1 20 LYS HA 1 20 LYS HG3 2.512 . 3.301 3.051 2.950 3.137 . 0 0 "[ . 1 . 2]" 1 546 1 20 LYS HA 1 21 ASN H 2.747 . 3.691 3.499 3.439 3.548 . 0 0 "[ . 1 . 2]" 1 547 1 20 LYS HA 1 22 GLN H 3.251 . 4.572 3.834 3.687 4.036 . 0 0 "[ . 1 . 2]" 1 548 1 20 LYS QB 1 20 LYS QD 2.299 . 2.960 2.014 1.956 2.137 . 0 0 "[ . 1 . 2]" 1 549 1 20 LYS QB 1 20 LYS QE 2.689 . 3.593 3.371 2.063 3.573 . 0 0 "[ . 1 . 2]" 1 550 1 20 LYS QB 1 20 LYS HG2 2.432 . 3.171 2.347 2.294 2.391 . 0 0 "[ . 1 . 2]" 1 551 1 20 LYS QB 1 20 LYS HG3 2.382 . 3.091 2.368 2.335 2.417 . 0 0 "[ . 1 . 2]" 1 552 1 20 LYS QB 1 21 ASN H 2.621 . 3.480 2.848 2.729 2.953 . 0 0 "[ . 1 . 2]" 1 553 1 20 LYS QD 1 20 LYS QE 1.954 . 2.431 2.096 1.998 2.118 . 0 0 "[ . 1 . 2]" 1 554 1 20 LYS QD 1 20 LYS QE 1.924 . 2.386 1.964 1.906 1.990 . 0 0 "[ . 1 . 2]" 1 555 1 20 LYS QD 1 20 LYS HG2 1.882 . 2.325 2.348 2.307 2.399 0.074 2 0 "[ . 1 . 2]" 1 556 1 20 LYS QD 1 20 LYS QG 1.935 . 2.403 2.091 2.010 2.130 . 0 0 "[ . 1 . 2]" 1 557 1 20 LYS QD 1 20 LYS QG 1.930 . 2.395 1.952 1.901 1.993 . 0 0 "[ . 1 . 2]" 1 558 1 20 LYS QD 1 20 LYS HG3 1.886 . 2.331 2.088 1.993 2.147 . 0 0 "[ . 1 . 2]" 1 559 1 20 LYS QE 1 20 LYS HG2 2.408 . 3.133 2.408 2.298 2.866 . 0 0 "[ . 1 . 2]" 1 560 1 20 LYS QE 1 20 LYS QG 2.387 . 3.099 2.141 2.024 2.744 . 0 0 "[ . 1 . 2]" 1 561 1 20 LYS QE 1 20 LYS QG 2.377 . 3.083 2.080 1.933 2.562 . 0 0 "[ . 1 . 2]" 1 562 1 20 LYS QE 1 20 LYS HG3 2.249 . 2.881 2.289 2.079 2.885 0.004 2 0 "[ . 1 . 2]" 1 563 1 21 ASN H 1 21 ASN HA 2.698 . 3.608 2.972 2.920 3.017 . 0 0 "[ . 1 . 2]" 1 564 1 21 ASN H 1 21 ASN HB2 2.660 . 3.544 2.626 2.530 2.748 . 0 0 "[ . 1 . 2]" 1 565 1 21 ASN H 1 21 ASN HB3 2.610 . 3.462 2.685 2.583 2.782 . 0 0 "[ . 1 . 2]" 1 566 1 21 ASN H 1 22 GLN H 2.371 . 3.074 2.316 2.133 2.530 . 0 0 "[ . 1 . 2]" 1 567 1 21 ASN H 1 22 GLN QG 3.187 . 4.457 4.507 4.200 4.725 0.268 15 0 "[ . 1 . 2]" 1 568 1 21 ASN H 1 23 ALA H 2.892 . 3.938 3.580 3.368 3.705 . 0 0 "[ . 1 . 2]" 1 569 1 21 ASN H 1 23 ALA MB 3.064 . 4.238 4.073 3.937 4.249 0.011 11 0 "[ . 1 . 2]" 1 570 1 21 ASN H 1 114 MET ME 3.082 . 4.269 3.625 3.379 3.993 . 0 0 "[ . 1 . 2]" 1 571 1 21 ASN HA 1 21 ASN HB2 2.578 . 3.409 2.576 2.521 2.637 . 0 0 "[ . 1 . 2]" 1 572 1 21 ASN HA 1 21 ASN HB3 2.726 . 3.655 3.038 3.014 3.071 . 0 0 "[ . 1 . 2]" 1 573 1 21 ASN HA 1 22 GLN H 2.992 . 4.111 3.231 3.167 3.374 . 0 0 "[ . 1 . 2]" 1 574 1 21 ASN HA 1 22 GLN QG 3.197 . 4.475 3.840 3.685 4.154 . 0 0 "[ . 1 . 2]" 1 575 1 21 ASN HB2 1 23 ALA MB 2.901 . 3.953 3.964 3.689 4.178 0.225 11 0 "[ . 1 . 2]" 1 576 1 21 ASN HB2 1 114 MET ME 2.705 . 3.619 2.826 2.240 3.389 . 0 0 "[ . 1 . 2]" 1 577 1 21 ASN HB3 1 23 ALA H 3.215 . 4.507 3.379 2.819 3.537 . 0 0 "[ . 1 . 2]" 1 578 1 21 ASN HB3 1 23 ALA MB 2.881 . 3.919 2.499 2.260 2.643 . 0 0 "[ . 1 . 2]" 1 579 1 21 ASN HB3 1 114 MET ME 2.510 . 3.297 2.499 2.200 2.809 . 0 0 "[ . 1 . 2]" 1 580 1 22 GLN H 1 22 GLN HA 2.199 . 2.804 2.303 2.243 2.354 . 0 0 "[ . 1 . 2]" 1 581 1 22 GLN H 1 22 GLN QB 2.793 . 3.768 3.345 3.314 3.405 . 0 0 "[ . 1 . 2]" 1 582 1 22 GLN H 1 22 GLN QG 2.433 . 3.173 2.687 2.605 2.809 . 0 0 "[ . 1 . 2]" 1 583 1 22 GLN H 1 23 ALA H 2.468 . 3.229 2.736 2.543 2.821 . 0 0 "[ . 1 . 2]" 1 584 1 22 GLN H 1 23 ALA MB 3.130 . 4.355 4.203 4.013 4.353 . 0 0 "[ . 1 . 2]" 1 585 1 22 GLN HA 1 22 GLN QB 2.179 . 2.773 2.362 2.317 2.393 . 0 0 "[ . 1 . 2]" 1 586 1 22 GLN HA 1 22 GLN QG 2.031 . 2.547 2.370 2.319 2.450 . 0 0 "[ . 1 . 2]" 1 587 1 22 GLN HA 1 23 ALA H 2.371 . 3.074 2.693 2.621 2.761 . 0 0 "[ . 1 . 2]" 1 588 1 22 GLN QB 1 22 GLN QG 1.921 . 2.382 2.100 2.074 2.131 . 0 0 "[ . 1 . 2]" 1 589 1 22 GLN QB 1 23 ALA H 2.979 . 4.088 3.919 3.820 3.961 . 0 0 "[ . 1 . 2]" 1 590 1 23 ALA H 1 23 ALA HA 2.689 . 3.593 2.986 2.946 3.021 . 0 0 "[ . 1 . 2]" 1 591 1 23 ALA H 1 23 ALA MB 2.168 . 2.755 2.375 2.253 2.496 . 0 0 "[ . 1 . 2]" 1 592 1 23 ALA H 1 24 HIS H 3.277 . 4.620 4.502 4.444 4.577 . 0 0 "[ . 1 . 2]" 1 593 1 23 ALA HA 1 23 ALA MB 2.007 . 2.511 2.164 2.110 2.209 . 0 0 "[ . 1 . 2]" 1 594 1 23 ALA HA 1 24 HIS H 2.579 . 3.411 2.289 2.215 2.385 . 0 0 "[ . 1 . 2]" 1 595 1 23 ALA HA 1 24 HIS HD2 2.945 . 4.029 3.400 3.008 3.515 . 0 0 "[ . 1 . 2]" 1 596 1 23 ALA HA 1 25 LYS H 3.285 . 4.634 4.006 3.641 4.213 . 0 0 "[ . 1 . 2]" 1 597 1 23 ALA HA 1 116 ALA HA 2.237 . 2.862 2.168 2.037 2.325 . 0 0 "[ . 1 . 2]" 1 598 1 23 ALA MB 1 24 HIS H 2.652 . 3.531 2.786 2.609 2.972 . 0 0 "[ . 1 . 2]" 1 599 1 23 ALA MB 1 25 LYS H 2.978 . 4.087 2.852 2.609 3.080 . 0 0 "[ . 1 . 2]" 1 600 1 23 ALA MB 1 26 ILE MD 3.079 . 5.000 4.515 4.162 4.798 . 0 0 "[ . 1 . 2]" 1 601 1 23 ALA MB 1 114 MET HA 3.094 . 4.291 3.902 3.734 4.028 . 0 0 "[ . 1 . 2]" 1 602 1 23 ALA MB 1 114 MET HB2 2.634 . 3.502 3.174 2.767 3.388 . 0 0 "[ . 1 . 2]" 1 603 1 23 ALA MB 1 114 MET HB3 2.652 . 3.531 2.208 1.995 2.341 . 0 0 "[ . 1 . 2]" 1 604 1 23 ALA MB 1 114 MET ME 2.188 . 5.000 2.291 1.975 3.618 . 0 0 "[ . 1 . 2]" 1 605 1 23 ALA MB 1 114 MET QG 2.624 . 3.485 3.696 3.395 3.834 0.349 11 0 "[ . 1 . 2]" 1 606 1 23 ALA MB 1 115 LEU H 3.102 . 4.305 3.039 2.823 3.281 . 0 0 "[ . 1 . 2]" 1 607 1 23 ALA MB 1 116 ALA HA 2.572 . 3.399 2.925 2.718 3.523 0.124 17 0 "[ . 1 . 2]" 1 608 1 24 HIS H 1 24 HIS QB 2.753 . 3.700 2.719 2.641 2.890 . 0 0 "[ . 1 . 2]" 1 609 1 24 HIS H 1 25 LYS H 2.679 . 3.576 2.229 2.039 2.377 . 0 0 "[ . 1 . 2]" 1 610 1 24 HIS H 1 116 ALA HA 3.071 . 4.250 3.526 2.860 3.720 . 0 0 "[ . 1 . 2]" 1 611 1 24 HIS HA 1 24 HIS QB 2.077 . 2.616 2.166 2.139 2.203 . 0 0 "[ . 1 . 2]" 1 612 1 24 HIS HA 1 25 LYS H 3.091 . 4.286 2.801 2.761 2.834 . 0 0 "[ . 1 . 2]" 1 613 1 24 HIS HA 1 57 VAL MG2 2.848 . 3.862 3.664 3.237 4.104 0.242 9 0 "[ . 1 . 2]" 1 614 1 24 HIS QB 1 24 HIS HD2 2.665 . 3.553 2.948 2.861 3.065 . 0 0 "[ . 1 . 2]" 1 615 1 24 HIS QB 1 25 LYS H 2.950 . 4.038 3.787 3.743 3.889 . 0 0 "[ . 1 . 2]" 1 616 1 24 HIS QB 1 117 GLU HA 2.935 . 4.012 2.485 2.137 3.526 . 0 0 "[ . 1 . 2]" 1 617 1 24 HIS HD2 1 25 LYS QB 3.164 . 4.415 3.861 3.513 4.399 . 0 0 "[ . 1 . 2]" 1 618 1 24 HIS HD2 1 115 LEU HB2 3.511 . 5.052 3.504 3.207 3.856 . 0 0 "[ . 1 . 2]" 1 619 1 24 HIS HD2 1 115 LEU HB3 3.544 . 5.114 3.703 3.402 4.018 . 0 0 "[ . 1 . 2]" 1 620 1 24 HIS HD2 1 115 LEU QD 3.428 . 4.897 4.449 4.217 4.726 . 0 0 "[ . 1 . 2]" 1 621 1 24 HIS HD2 1 116 ALA MB 3.401 . 4.847 4.406 4.198 4.520 . 0 0 "[ . 1 . 2]" 1 622 1 24 HIS HD2 1 117 GLU HA 3.074 . 4.255 2.503 2.269 2.935 . 0 0 "[ . 1 . 2]" 1 623 1 25 LYS H 1 25 LYS QB 2.872 . 3.903 2.661 2.561 2.722 . 0 0 "[ . 1 . 2]" 1 624 1 25 LYS H 1 115 LEU H 3.303 . 4.667 3.159 3.049 3.430 . 0 0 "[ . 1 . 2]" 1 625 1 25 LYS HA 1 25 LYS QB 2.387 . 3.099 2.414 2.366 2.547 . 0 0 "[ . 1 . 2]" 1 626 1 25 LYS HA 1 25 LYS QD 2.853 . 3.870 3.233 2.249 4.004 0.134 12 0 "[ . 1 . 2]" 1 627 1 25 LYS HA 1 25 LYS QG 2.921 . 3.863 2.500 2.378 2.637 . 0 0 "[ . 1 . 2]" 1 628 1 25 LYS HA 1 26 ILE H 2.797 . 3.775 2.245 2.173 2.340 . 0 0 "[ . 1 . 2]" 1 629 1 25 LYS HA 1 57 VAL HA 2.428 . 3.165 2.265 2.040 2.455 . 0 0 "[ . 1 . 2]" 1 630 1 25 LYS HA 1 57 VAL MG1 2.421 . 3.153 2.642 2.253 3.014 . 0 0 "[ . 1 . 2]" 1 631 1 25 LYS HA 1 57 VAL MG2 2.652 . 3.531 3.538 3.193 3.854 0.323 2 0 "[ . 1 . 2]" 1 632 1 25 LYS QB 1 25 LYS QD 2.353 . 3.045 2.303 2.063 2.451 . 0 0 "[ . 1 . 2]" 1 633 1 25 LYS QB 1 25 LYS QE 2.781 . 3.748 3.713 3.471 3.886 0.138 3 0 "[ . 1 . 2]" 1 634 1 25 LYS QB 1 57 VAL HA 3.144 . 4.380 3.884 3.560 4.446 0.066 7 0 "[ . 1 . 2]" 1 635 1 25 LYS QB 1 57 VAL MG1 3.095 . 4.293 4.386 4.121 4.645 0.352 18 0 "[ . 1 . 2]" 1 636 1 25 LYS QB 1 115 LEU H 3.262 . 4.592 3.600 3.251 3.894 . 0 0 "[ . 1 . 2]" 1 637 1 25 LYS QB 1 115 LEU HB2 2.748 . 3.692 2.349 2.091 2.586 . 0 0 "[ . 1 . 2]" 1 638 1 25 LYS QB 1 115 LEU HB3 2.767 . 3.724 3.792 3.525 4.078 0.354 4 0 "[ . 1 . 2]" 1 639 1 25 LYS QB 1 115 LEU MD1 2.537 . 3.342 2.342 2.100 3.025 . 0 0 "[ . 1 . 2]" 1 640 1 25 LYS QB 1 115 LEU HG 3.119 . 4.335 3.602 3.187 4.171 . 0 0 "[ . 1 . 2]" 1 641 1 25 LYS QD 1 27 GLU HG2 3.183 . 4.449 3.241 2.649 4.569 0.120 4 0 "[ . 1 . 2]" 1 642 1 25 LYS QD 1 115 LEU H 2.764 . 3.719 3.688 3.514 3.886 0.167 6 0 "[ . 1 . 2]" 1 643 1 25 LYS QD 1 115 LEU MD1 2.332 . 3.012 2.376 2.062 3.236 0.224 7 0 "[ . 1 . 2]" 1 644 1 25 LYS QE 1 25 LYS QG 2.628 . 3.491 2.255 2.111 2.341 . 0 0 "[ . 1 . 2]" 1 645 1 25 LYS QE 1 25 LYS QG 2.385 . 3.096 2.121 1.999 2.240 . 0 0 "[ . 1 . 2]" 1 646 1 25 LYS QE 1 27 GLU HA 3.031 . 4.180 3.403 2.630 4.658 0.478 7 0 "[ . 1 . 2]" 1 647 1 25 LYS QE 1 27 GLU HG2 3.118 . 5.000 3.959 3.395 4.912 . 0 0 "[ . 1 . 2]" 1 648 1 25 LYS QE 1 56 LEU QD 2.755 . 3.704 2.336 2.033 2.972 . 0 0 "[ . 1 . 2]" 1 649 1 25 LYS QE 1 56 LEU QD 2.784 . 3.753 3.172 2.376 3.521 . 0 0 "[ . 1 . 2]" 1 650 1 25 LYS QE 1 59 LYS HB3 3.093 . 4.289 3.819 3.589 4.103 . 0 0 "[ . 1 . 2]" 1 651 1 25 LYS QE 1 115 LEU MD1 2.795 . 5.000 3.664 2.847 4.303 . 0 0 "[ . 1 . 2]" 1 652 1 25 LYS QG 1 56 LEU QD 2.372 . 3.075 2.661 2.370 3.154 0.079 5 0 "[ . 1 . 2]" 1 653 1 25 LYS QG 1 56 LEU QD 2.458 . 3.213 2.477 2.290 2.719 . 0 0 "[ . 1 . 2]" 1 654 1 25 LYS QG 1 115 LEU MD1 3.038 . 4.192 3.107 2.598 3.822 . 0 0 "[ . 1 . 2]" 1 655 1 26 ILE H 1 26 ILE HB 3.065 . 4.240 2.536 2.473 2.689 . 0 0 "[ . 1 . 2]" 1 656 1 26 ILE H 1 57 VAL MG1 3.180 . 4.444 2.884 2.554 3.168 . 0 0 "[ . 1 . 2]" 1 657 1 26 ILE HA 1 26 ILE HG13 2.917 . 3.980 2.955 2.871 3.017 . 0 0 "[ . 1 . 2]" 1 658 1 26 ILE HA 1 26 ILE MG 2.349 . 3.038 2.384 2.324 2.444 . 0 0 "[ . 1 . 2]" 1 659 1 26 ILE HA 1 27 GLU H 2.672 . 3.564 2.198 2.125 2.269 . 0 0 "[ . 1 . 2]" 1 660 1 26 ILE HA 1 28 ARG H 3.093 . 4.288 3.877 3.734 3.989 . 0 0 "[ . 1 . 2]" 1 661 1 26 ILE HA 1 29 VAL MG2 3.126 . 4.347 4.206 4.036 4.294 . 0 0 "[ . 1 . 2]" 1 662 1 26 ILE HA 1 114 MET HA 2.346 . 3.034 2.203 2.128 2.272 . 0 0 "[ . 1 . 2]" 1 663 1 26 ILE HA 1 114 MET QG 2.921 . 3.988 2.871 2.270 3.153 . 0 0 "[ . 1 . 2]" 1 664 1 26 ILE HA 1 115 LEU H 2.948 . 4.034 3.306 3.168 3.446 . 0 0 "[ . 1 . 2]" 1 665 1 26 ILE HB 1 26 ILE MD 2.575 . 3.404 2.392 2.305 2.453 . 0 0 "[ . 1 . 2]" 1 666 1 26 ILE HB 1 26 ILE MG 2.325 . 3.001 2.165 2.103 2.235 . 0 0 "[ . 1 . 2]" 1 667 1 26 ILE HB 1 29 VAL MG2 2.861 . 3.884 3.003 2.794 3.187 . 0 0 "[ . 1 . 2]" 1 668 1 26 ILE HB 1 58 CYS HA 2.824 . 3.821 2.866 2.426 3.117 . 0 0 "[ . 1 . 2]" 1 669 1 26 ILE HB 1 61 ALA MB 2.709 . 3.626 2.939 2.657 3.391 . 0 0 "[ . 1 . 2]" 1 670 1 26 ILE MD 1 26 ILE HG12 1.917 . 2.376 1.906 1.884 1.934 . 0 0 "[ . 1 . 2]" 1 671 1 26 ILE MD 1 26 ILE HG13 2.292 . 2.948 2.107 2.069 2.173 . 0 0 "[ . 1 . 2]" 1 672 1 26 ILE MD 1 26 ILE MG 2.094 . 2.642 2.092 2.018 2.205 . 0 0 "[ . 1 . 2]" 1 673 1 26 ILE MD 1 57 VAL HB 3.102 . 4.305 4.161 3.942 4.364 0.059 11 0 "[ . 1 . 2]" 1 674 1 26 ILE MD 1 57 VAL MG1 2.140 . 2.713 2.195 2.058 2.389 . 0 0 "[ . 1 . 2]" 1 675 1 26 ILE MD 1 58 CYS HA 3.131 . 4.357 3.719 3.144 4.290 . 0 0 "[ . 1 . 2]" 1 676 1 26 ILE MD 1 61 ALA MB 2.917 . 5.000 4.130 3.841 4.590 . 0 0 "[ . 1 . 2]" 1 677 1 26 ILE MD 1 112 LEU MD2 2.237 . 2.862 2.083 1.932 2.229 . 0 0 "[ . 1 . 2]" 1 678 1 26 ILE MD 1 114 MET ME 2.334 . 5.000 2.734 2.247 4.417 . 0 0 "[ . 1 . 2]" 1 679 1 26 ILE MD 1 114 MET QG 2.783 . 3.751 3.459 3.240 3.680 . 0 0 "[ . 1 . 2]" 1 680 1 26 ILE HG13 1 26 ILE MG 2.739 . 3.677 3.237 3.195 3.284 . 0 0 "[ . 1 . 2]" 1 681 1 26 ILE HG13 1 57 VAL MG1 2.697 . 3.606 2.291 2.120 2.476 . 0 0 "[ . 1 . 2]" 1 682 1 26 ILE HG13 1 57 VAL MG2 3.161 . 4.410 4.677 4.451 4.900 0.490 5 0 "[ . 1 . 2]" 1 683 1 26 ILE HG13 1 114 MET QG 3.344 . 4.741 3.715 3.411 3.885 . 0 0 "[ . 1 . 2]" 1 684 1 26 ILE MG 1 27 GLU H 2.866 . 3.893 2.856 2.725 2.989 . 0 0 "[ . 1 . 2]" 1 685 1 26 ILE MG 1 28 ARG H 2.596 . 3.438 2.421 2.277 2.528 . 0 0 "[ . 1 . 2]" 1 686 1 26 ILE MG 1 29 VAL HA 3.002 . 4.128 3.610 3.457 3.834 . 0 0 "[ . 1 . 2]" 1 687 1 26 ILE MG 1 29 VAL MG1 2.963 . 4.061 3.891 3.782 4.019 . 0 0 "[ . 1 . 2]" 1 688 1 26 ILE MG 1 29 VAL MG2 2.145 . 2.720 1.989 1.914 2.107 . 0 0 "[ . 1 . 2]" 1 689 1 26 ILE MG 1 58 CYS HA 3.015 . 4.152 4.138 3.893 4.372 0.220 11 0 "[ . 1 . 2]" 1 690 1 26 ILE MG 1 61 ALA HA 3.090 . 4.284 3.926 3.566 4.196 . 0 0 "[ . 1 . 2]" 1 691 1 26 ILE MG 1 61 ALA MB 2.309 . 2.975 2.731 2.499 3.002 0.027 8 0 "[ . 1 . 2]" 1 692 1 26 ILE MG 1 112 LEU HA 3.013 . 4.148 3.682 3.457 3.817 . 0 0 "[ . 1 . 2]" 1 693 1 26 ILE MG 1 112 LEU MD2 2.689 . 3.593 2.567 2.263 2.762 . 0 0 "[ . 1 . 2]" 1 694 1 26 ILE MG 1 113 GLU H 3.024 . 4.167 3.057 2.855 3.162 . 0 0 "[ . 1 . 2]" 1 695 1 26 ILE MG 1 114 MET HA 2.997 . 4.120 3.380 3.283 3.558 . 0 0 "[ . 1 . 2]" 1 696 1 26 ILE MG 1 114 MET ME 2.854 . 5.000 3.591 3.338 4.384 . 0 0 "[ . 1 . 2]" 1 697 1 26 ILE MG 1 114 MET QG 3.214 . 4.506 2.375 2.080 2.527 . 0 0 "[ . 1 . 2]" 1 698 1 27 GLU H 1 27 GLU HA 2.934 . 4.010 2.945 2.898 2.981 . 0 0 "[ . 1 . 2]" 1 699 1 27 GLU H 1 27 GLU HB2 3.183 . 4.449 2.341 1.997 2.517 . 0 0 "[ . 1 . 2]" 1 700 1 27 GLU H 1 27 GLU HB3 3.177 . 4.439 3.551 3.105 3.689 . 0 0 "[ . 1 . 2]" 1 701 1 27 GLU H 1 27 GLU HG3 3.296 . 4.654 3.936 3.726 4.374 . 0 0 "[ . 1 . 2]" 1 702 1 27 GLU H 1 28 ARG H 2.529 . 3.329 2.410 2.304 2.552 . 0 0 "[ . 1 . 2]" 1 703 1 27 GLU H 1 114 MET HA 2.948 . 4.034 2.716 2.434 3.077 . 0 0 "[ . 1 . 2]" 1 704 1 27 GLU H 1 115 LEU H 3.279 . 4.623 4.098 3.791 4.338 . 0 0 "[ . 1 . 2]" 1 705 1 27 GLU HA 1 27 GLU HB2 2.473 . 3.237 2.987 2.821 3.046 . 0 0 "[ . 1 . 2]" 1 706 1 27 GLU HA 1 27 GLU HB3 2.390 . 3.104 2.557 2.412 2.899 . 0 0 "[ . 1 . 2]" 1 707 1 27 GLU HA 1 27 GLU HG2 2.423 . 3.157 2.837 2.396 3.079 . 0 0 "[ . 1 . 2]" 1 708 1 27 GLU HA 1 28 ARG H 2.985 . 4.099 3.520 3.440 3.583 . 0 0 "[ . 1 . 2]" 1 709 1 27 GLU HA 1 61 ALA HA 2.482 . 3.252 2.919 2.598 3.194 . 0 0 "[ . 1 . 2]" 1 710 1 27 GLU HA 1 61 ALA MB 2.808 . 3.793 3.947 3.593 4.201 0.408 12 0 "[ . 1 . 2]" 1 711 1 27 GLU HB2 1 27 GLU HG2 2.332 . 3.012 2.476 2.403 2.564 . 0 0 "[ . 1 . 2]" 1 712 1 27 GLU HB2 1 27 GLU HG3 2.318 . 2.990 2.391 2.324 2.476 . 0 0 "[ . 1 . 2]" 1 713 1 27 GLU HB2 1 28 ARG H 2.985 . 4.099 2.995 2.784 3.409 . 0 0 "[ . 1 . 2]" 1 714 1 27 GLU HB2 1 113 GLU HG2 3.149 . 4.388 3.180 2.379 5.150 0.762 8 1 "[ . + 1 . 2]" 1 715 1 27 GLU HB2 1 113 GLU HG3 3.153 . 4.396 3.391 2.416 5.188 0.792 8 1 "[ . + 1 . 2]" 1 716 1 27 GLU HB2 1 115 LEU QD 3.140 . 4.373 4.009 3.184 4.549 0.176 13 0 "[ . 1 . 2]" 1 717 1 27 GLU HB3 1 27 GLU HG2 2.264 . 2.905 2.989 2.945 3.033 0.128 19 0 "[ . 1 . 2]" 1 718 1 27 GLU HB3 1 27 GLU HG2 1.964 . 2.446 2.300 2.264 2.358 . 0 0 "[ . 1 . 2]" 1 719 1 27 GLU HB3 1 27 GLU HG3 2.288 . 2.942 2.448 2.385 2.513 . 0 0 "[ . 1 . 2]" 1 720 1 27 GLU HB3 1 28 ARG H 3.034 . 4.184 3.678 3.086 4.074 . 0 0 "[ . 1 . 2]" 1 721 1 27 GLU HB3 1 115 LEU QD 3.040 . 5.000 4.463 4.132 4.821 . 0 0 "[ . 1 . 2]" 1 722 1 27 GLU HG2 1 115 LEU QD 2.462 . 3.220 2.678 2.146 3.045 . 0 0 "[ . 1 . 2]" 1 723 1 27 GLU HG2 1 115 LEU HG 2.926 . 3.996 2.569 2.248 3.356 . 0 0 "[ . 1 . 2]" 1 724 1 27 GLU HG3 1 115 LEU QD 2.578 . 3.409 2.728 2.440 3.061 . 0 0 "[ . 1 . 2]" 1 725 1 27 GLU HG3 1 115 LEU HG 3.118 . 4.333 3.342 3.079 3.849 . 0 0 "[ . 1 . 2]" 1 726 1 28 ARG H 1 28 ARG HB2 3.173 . 4.431 3.265 3.150 3.344 . 0 0 "[ . 1 . 2]" 1 727 1 28 ARG H 1 28 ARG HB3 3.190 . 4.462 2.887 2.793 2.937 . 0 0 "[ . 1 . 2]" 1 728 1 28 ARG H 1 29 VAL H 3.451 . 4.940 4.322 4.283 4.393 . 0 0 "[ . 1 . 2]" 1 729 1 28 ARG H 1 113 GLU H 2.847 . 3.860 2.751 2.568 2.927 . 0 0 "[ . 1 . 2]" 1 730 1 28 ARG H 1 113 GLU HB2 3.032 . 4.181 3.823 2.293 4.277 0.096 18 0 "[ . 1 . 2]" 1 731 1 28 ARG H 1 113 GLU HB3 3.215 . 4.507 2.564 2.201 3.817 . 0 0 "[ . 1 . 2]" 1 732 1 28 ARG HA 1 28 ARG HB2 2.940 . 4.020 2.545 2.498 2.615 . 0 0 "[ . 1 . 2]" 1 733 1 28 ARG HA 1 28 ARG HB3 2.730 . 3.662 3.033 2.992 3.078 . 0 0 "[ . 1 . 2]" 1 734 1 28 ARG HA 1 28 ARG HG2 2.801 . 3.782 3.057 2.936 3.177 . 0 0 "[ . 1 . 2]" 1 735 1 28 ARG HA 1 28 ARG HG3 2.886 . 3.927 2.666 2.580 2.855 . 0 0 "[ . 1 . 2]" 1 736 1 28 ARG HA 1 29 VAL H 2.640 . 3.511 2.211 2.165 2.272 . 0 0 "[ . 1 . 2]" 1 737 1 28 ARG HA 1 29 VAL MG2 3.014 . 4.149 3.707 3.580 3.805 . 0 0 "[ . 1 . 2]" 1 738 1 28 ARG HA 1 61 ALA HA 3.078 . 4.262 3.350 3.153 3.554 . 0 0 "[ . 1 . 2]" 1 739 1 28 ARG HA 1 61 ALA MB 2.958 . 4.052 3.222 2.940 3.504 . 0 0 "[ . 1 . 2]" 1 740 1 28 ARG HA 1 62 ILE HB 2.771 . 3.731 2.683 2.422 2.911 . 0 0 "[ . 1 . 2]" 1 741 1 28 ARG HA 1 62 ILE MD 3.050 . 4.213 3.958 3.775 4.108 . 0 0 "[ . 1 . 2]" 1 742 1 28 ARG HA 1 62 ILE HG13 3.157 . 4.403 3.807 3.708 3.958 . 0 0 "[ . 1 . 2]" 1 743 1 28 ARG HB2 1 28 ARG HD2 2.974 . 4.080 3.073 2.441 3.212 . 0 0 "[ . 1 . 2]" 1 744 1 28 ARG HB2 1 28 ARG HD3 3.202 . 4.484 3.730 3.106 3.827 . 0 0 "[ . 1 . 2]" 1 745 1 28 ARG HB2 1 28 ARG HG3 2.990 . 4.108 2.483 2.397 2.562 . 0 0 "[ . 1 . 2]" 1 746 1 28 ARG HB2 1 113 GLU HB3 3.132 . 4.359 3.090 2.585 4.516 0.157 10 0 "[ . 1 . 2]" 1 747 1 28 ARG HB2 1 113 GLU HG2 3.271 . 4.608 4.239 3.750 4.975 0.367 10 0 "[ . 1 . 2]" 1 748 1 28 ARG HB3 1 28 ARG HD2 2.990 . 4.108 2.530 2.327 3.003 . 0 0 "[ . 1 . 2]" 1 749 1 28 ARG HB3 1 28 ARG HD3 2.851 . 3.867 3.583 2.544 3.752 . 0 0 "[ . 1 . 2]" 1 750 1 28 ARG HB3 1 28 ARG HG3 2.913 . 3.974 3.048 3.012 3.083 . 0 0 "[ . 1 . 2]" 1 751 1 28 ARG HD2 1 28 ARG HG2 2.778 . 3.743 2.535 2.429 3.054 . 0 0 "[ . 1 . 2]" 1 752 1 28 ARG HD2 1 28 ARG HG3 2.674 . 3.567 2.999 2.515 3.081 . 0 0 "[ . 1 . 2]" 1 753 1 28 ARG HD2 1 30 VAL MG1 2.685 . 3.586 3.105 2.734 4.081 0.495 5 0 "[ . 1 . 2]" 1 754 1 28 ARG HD2 1 62 ILE MD 3.155 . 5.000 4.979 3.626 5.531 0.531 16 1 "[ . 1 .+ 2]" 1 755 1 28 ARG HD3 1 28 ARG HG2 2.776 . 3.739 2.450 2.394 2.512 . 0 0 "[ . 1 . 2]" 1 756 1 28 ARG HD3 1 28 ARG HG3 2.602 . 3.448 2.538 2.389 3.093 . 0 0 "[ . 1 . 2]" 1 757 1 28 ARG HD3 1 30 VAL MG1 2.612 . 3.465 2.606 2.344 3.109 . 0 0 "[ . 1 . 2]" 1 758 1 28 ARG HG2 1 30 VAL MG1 2.952 . 4.041 2.372 2.260 2.505 . 0 0 "[ . 1 . 2]" 1 759 1 28 ARG HG3 1 30 VAL MG2 3.213 . 4.503 4.110 3.921 4.340 . 0 0 "[ . 1 . 2]" 1 760 1 28 ARG HG3 1 30 VAL MG1 2.788 . 3.760 3.412 3.231 3.686 . 0 0 "[ . 1 . 2]" 1 761 1 28 ARG HG3 1 62 ILE HB 2.783 . 3.751 2.077 1.931 2.275 . 0 0 "[ . 1 . 2]" 1 762 1 28 ARG HG3 1 62 ILE MD 3.002 . 4.128 3.478 3.094 3.762 . 0 0 "[ . 1 . 2]" 1 763 1 28 ARG HG3 1 62 ILE MG 2.350 . 3.040 2.819 2.682 2.979 . 0 0 "[ . 1 . 2]" 1 764 1 28 ARG HG3 1 62 ILE MG 3.045 . 4.204 3.104 2.861 3.465 . 0 0 "[ . 1 . 2]" 1 765 1 29 VAL H 1 29 VAL HB 3.079 . 4.264 2.679 2.603 2.757 . 0 0 "[ . 1 . 2]" 1 766 1 29 VAL H 1 29 VAL MG1 3.121 . 4.339 3.873 3.830 3.923 . 0 0 "[ . 1 . 2]" 1 767 1 29 VAL H 1 29 VAL MG2 2.965 . 4.064 2.903 2.861 2.996 . 0 0 "[ . 1 . 2]" 1 768 1 29 VAL H 1 62 ILE H 3.291 . 4.645 3.354 3.012 3.624 . 0 0 "[ . 1 . 2]" 1 769 1 29 VAL HA 1 29 VAL HB 2.779 . 3.745 3.082 3.041 3.143 . 0 0 "[ . 1 . 2]" 1 770 1 29 VAL HA 1 29 VAL MG1 2.234 . 2.858 2.417 2.328 2.513 . 0 0 "[ . 1 . 2]" 1 771 1 29 VAL HA 1 29 VAL MG2 2.225 . 2.844 2.420 2.309 2.502 . 0 0 "[ . 1 . 2]" 1 772 1 29 VAL HA 1 30 VAL H 2.394 . 3.110 2.281 2.189 2.349 . 0 0 "[ . 1 . 2]" 1 773 1 29 VAL HA 1 30 VAL MG1 3.050 . 4.213 3.973 3.810 4.109 . 0 0 "[ . 1 . 2]" 1 774 1 29 VAL HA 1 109 LEU MD2 2.989 . 4.105 4.018 3.783 4.453 0.348 6 0 "[ . 1 . 2]" 1 775 1 29 VAL HA 1 112 LEU HA 2.493 . 3.270 2.627 2.474 2.809 . 0 0 "[ . 1 . 2]" 1 776 1 29 VAL HA 1 112 LEU MD2 3.127 . 4.349 4.373 4.052 4.647 0.298 4 0 "[ . 1 . 2]" 1 777 1 29 VAL HA 1 113 GLU H 3.172 . 4.429 3.786 3.571 4.012 . 0 0 "[ . 1 . 2]" 1 778 1 29 VAL HB 1 29 VAL MG1 2.156 . 2.737 2.154 2.102 2.179 . 0 0 "[ . 1 . 2]" 1 779 1 29 VAL HB 1 29 VAL MG2 2.229 . 2.850 2.152 2.130 2.181 . 0 0 "[ . 1 . 2]" 1 780 1 29 VAL HB 1 63 LEU HA 3.068 . 4.245 3.141 2.862 3.725 . 0 0 "[ . 1 . 2]" 1 781 1 29 VAL HB 1 63 LEU MD2 2.618 . 3.475 2.678 2.388 2.915 . 0 0 "[ . 1 . 2]" 1 782 1 29 VAL MG1 1 29 VAL MG2 1.875 . 2.314 2.069 2.034 2.098 . 0 0 "[ . 1 . 2]" 1 783 1 29 VAL MG1 1 30 VAL HA 2.140 . 2.712 2.881 2.858 2.901 0.189 18 0 "[ . 1 . 2]" 1 784 1 29 VAL MG1 1 109 LEU HA 2.939 . 4.019 3.792 3.686 3.975 . 0 0 "[ . 1 . 2]" 1 785 1 29 VAL MG1 1 109 LEU HB3 3.139 . 4.371 4.107 3.454 4.513 0.142 14 0 "[ . 1 . 2]" 1 786 1 29 VAL MG1 1 31 VAL MG1 1.804 . 2.211 1.892 1.824 1.931 . 0 0 "[ . 1 . 2]" 1 787 1 29 VAL MG1 1 48 PHE QD 2.801 . 3.782 3.728 3.479 3.915 0.133 16 0 "[ . 1 . 2]" 1 788 1 29 VAL MG1 1 63 LEU MD2 1.998 . 2.497 2.302 2.150 2.448 . 0 0 "[ . 1 . 2]" 1 789 1 29 VAL MG1 1 48 PHE HZ 3.019 . 4.158 3.907 3.543 4.240 0.082 6 0 "[ . 1 . 2]" 1 790 1 29 VAL MG1 1 109 LEU MD1 2.937 . 4.015 3.631 2.885 3.851 . 0 0 "[ . 1 . 2]" 1 791 1 29 VAL MG1 1 109 LEU MD2 2.073 . 2.610 2.044 1.944 2.168 . 0 0 "[ . 1 . 2]" 1 792 1 29 VAL MG1 1 112 LEU MD2 2.980 . 4.090 3.691 3.377 4.019 . 0 0 "[ . 1 . 2]" 1 793 1 29 VAL MG1 1 112 LEU HG 3.005 . 4.134 2.784 2.510 3.107 . 0 0 "[ . 1 . 2]" 1 794 1 29 VAL MG2 1 30 VAL H 3.019 . 4.159 4.207 4.026 4.288 0.129 12 0 "[ . 1 . 2]" 1 795 1 29 VAL MG2 1 48 PHE HZ 2.668 . 3.558 2.757 2.343 3.334 . 0 0 "[ . 1 . 2]" 1 796 1 29 VAL MG2 1 58 CYS HA 2.949 . 4.036 3.461 3.346 3.569 . 0 0 "[ . 1 . 2]" 1 797 1 29 VAL MG2 1 61 ALA HA 3.309 . 4.678 4.198 4.039 4.436 . 0 0 "[ . 1 . 2]" 1 798 1 29 VAL MG2 1 61 ALA MB 2.186 . 2.783 2.122 1.969 2.338 . 0 0 "[ . 1 . 2]" 1 799 1 29 VAL MG2 1 63 LEU MD2 2.789 . 3.761 3.826 3.491 4.201 0.440 19 0 "[ . 1 . 2]" 1 800 1 29 VAL MG2 1 109 LEU MD1 3.191 . 4.463 4.582 3.813 4.819 0.356 17 0 "[ . 1 . 2]" 1 801 1 29 VAL MG2 1 109 LEU MD2 2.587 . 3.424 3.569 3.446 3.801 0.377 19 0 "[ . 1 . 2]" 1 802 1 29 VAL MG2 1 112 LEU HA 2.996 . 4.118 3.822 3.500 4.148 0.030 8 0 "[ . 1 . 2]" 1 803 1 29 VAL MG2 1 112 LEU MD2 2.877 . 3.912 3.139 2.830 3.501 . 0 0 "[ . 1 . 2]" 1 804 1 29 VAL MG2 1 113 GLU H 3.231 . 4.536 4.251 4.019 4.488 . 0 0 "[ . 1 . 2]" 1 805 1 30 VAL H 1 30 VAL HB 2.952 . 4.041 3.881 3.841 3.942 . 0 0 "[ . 1 . 2]" 1 806 1 30 VAL H 1 30 VAL MG1 2.628 . 3.492 2.921 2.828 3.031 . 0 0 "[ . 1 . 2]" 1 807 1 30 VAL H 1 30 VAL MG2 2.644 . 3.518 2.298 2.207 2.430 . 0 0 "[ . 1 . 2]" 1 808 1 30 VAL H 1 31 VAL H 3.481 . 4.995 4.428 4.374 4.481 . 0 0 "[ . 1 . 2]" 1 809 1 30 VAL H 1 109 LEU MD2 3.102 . 4.305 3.846 3.489 4.312 0.007 6 0 "[ . 1 . 2]" 1 810 1 30 VAL H 1 111 SER H 2.968 . 4.069 3.206 3.088 3.309 . 0 0 "[ . 1 . 2]" 1 811 1 30 VAL H 1 112 LEU HA 3.173 . 4.431 3.387 3.230 3.561 . 0 0 "[ . 1 . 2]" 1 812 1 30 VAL H 1 112 LEU MD1 3.177 . 4.439 3.882 3.686 4.110 . 0 0 "[ . 1 . 2]" 1 813 1 30 VAL HA 1 30 VAL HB 2.662 . 3.548 2.452 2.417 2.513 . 0 0 "[ . 1 . 2]" 1 814 1 30 VAL HA 1 30 VAL MG1 2.223 . 2.841 2.329 2.284 2.391 . 0 0 "[ . 1 . 2]" 1 815 1 30 VAL HA 1 31 VAL H 2.566 . 3.389 2.210 2.129 2.291 . 0 0 "[ . 1 . 2]" 1 816 1 30 VAL HA 1 31 VAL MG1 3.245 . 4.561 3.534 3.413 3.704 . 0 0 "[ . 1 . 2]" 1 817 1 30 VAL HA 1 63 LEU MD2 3.153 . 4.396 3.421 3.126 3.777 . 0 0 "[ . 1 . 2]" 1 818 1 30 VAL HA 1 64 ASP HB3 2.631 . 3.496 3.370 2.821 4.367 0.871 8 5 "[* . +*1 . * -]" 1 819 1 30 VAL HB 1 30 VAL MG1 2.307 . 2.972 2.150 2.104 2.185 . 0 0 "[ . 1 . 2]" 1 820 1 30 VAL HB 1 30 VAL MG2 2.349 . 3.038 2.129 2.107 2.159 . 0 0 "[ . 1 . 2]" 1 821 1 30 VAL MG1 1 31 VAL H 3.141 . 4.374 3.958 3.875 4.085 . 0 0 "[ . 1 . 2]" 1 822 1 30 VAL MG1 1 64 ASP HB2 2.394 . 3.110 2.781 1.930 3.268 0.158 7 0 "[ . 1 . 2]" 1 823 1 30 VAL MG1 1 64 ASP HB3 2.442 . 3.187 2.366 1.965 3.492 0.305 8 0 "[ . 1 . 2]" 1 824 1 30 VAL MG1 1 111 SER HB3 2.693 . 5.000 4.691 3.757 5.530 0.530 8 1 "[ . + 1 . 2]" 1 825 1 30 VAL MG2 1 31 VAL HA 2.423 . 3.157 3.131 3.104 3.194 0.037 12 0 "[ . 1 . 2]" 1 826 1 30 VAL MG2 1 112 LEU HA 2.593 . 3.433 3.010 2.600 3.299 . 0 0 "[ . 1 . 2]" 1 827 1 30 VAL MG2 1 110 LEU HB2 2.981 . 4.092 2.089 1.983 2.286 . 0 0 "[ . 1 . 2]" 1 828 1 30 VAL MG2 1 110 LEU HB3 2.721 . 3.647 3.434 3.271 3.555 . 0 0 "[ . 1 . 2]" 1 829 1 30 VAL MG2 1 110 LEU MD1 2.519 . 3.312 3.178 3.076 3.334 0.022 6 0 "[ . 1 . 2]" 1 830 1 30 VAL MG2 1 111 SER H 2.855 . 3.874 2.133 1.904 2.279 . 0 0 "[ . 1 . 2]" 1 831 1 30 VAL MG2 1 111 SER HB3 3.073 . 4.253 3.089 2.002 3.579 . 0 0 "[ . 1 . 2]" 1 832 1 31 VAL H 1 31 VAL HB 3.179 . 4.442 3.833 3.799 3.886 . 0 0 "[ . 1 . 2]" 1 833 1 31 VAL H 1 31 VAL MG1 3.034 . 4.184 2.938 2.863 3.043 . 0 0 "[ . 1 . 2]" 1 834 1 31 VAL H 1 31 VAL MG2 2.485 . 3.257 2.201 2.119 2.314 . 0 0 "[ . 1 . 2]" 1 835 1 31 VAL H 1 63 LEU MD2 3.246 . 4.563 3.673 3.450 3.823 . 0 0 "[ . 1 . 2]" 1 836 1 31 VAL H 1 64 ASP H 3.396 . 4.837 3.629 3.452 3.756 . 0 0 "[ . 1 . 2]" 1 837 1 31 VAL H 1 66 VAL H 3.459 . 4.955 3.649 3.406 3.841 . 0 0 "[ . 1 . 2]" 1 838 1 31 VAL H 1 66 VAL MG2 3.269 . 4.605 3.776 3.453 4.074 . 0 0 "[ . 1 . 2]" 1 839 1 31 VAL HA 1 31 VAL HB 2.502 . 3.285 2.499 2.458 2.568 . 0 0 "[ . 1 . 2]" 1 840 1 31 VAL HA 1 31 VAL MG1 2.231 . 2.853 2.376 2.291 2.466 . 0 0 "[ . 1 . 2]" 1 841 1 31 VAL HA 1 32 GLY H 2.656 . 3.537 2.336 2.262 2.419 . 0 0 "[ . 1 . 2]" 1 842 1 31 VAL HA 1 109 LEU HA 2.584 . 3.419 2.499 2.371 2.592 . 0 0 "[ . 1 . 2]" 1 843 1 31 VAL HA 1 109 LEU MD2 2.697 . 3.606 3.383 2.884 3.700 0.094 18 0 "[ . 1 . 2]" 1 844 1 31 VAL HA 1 110 LEU MD1 2.931 . 4.005 3.779 3.568 4.142 0.137 19 0 "[ . 1 . 2]" 1 845 1 31 VAL HA 1 110 LEU HG 3.180 . 4.444 2.935 2.662 3.302 . 0 0 "[ . 1 . 2]" 1 846 1 31 VAL HB 1 31 VAL MG1 2.149 . 2.726 2.125 2.095 2.153 . 0 0 "[ . 1 . 2]" 1 847 1 31 VAL HB 1 31 VAL MG2 2.209 . 2.819 2.146 2.116 2.172 . 0 0 "[ . 1 . 2]" 1 848 1 31 VAL HB 1 32 GLY H 2.932 . 4.007 2.474 2.373 2.616 . 0 0 "[ . 1 . 2]" 1 849 1 31 VAL HB 1 107 MET QG 3.168 . 4.422 2.471 2.226 2.701 . 0 0 "[ . 1 . 2]" 1 850 1 31 VAL MG1 1 32 GLY H 2.835 . 3.840 3.674 3.590 3.778 . 0 0 "[ . 1 . 2]" 1 851 1 31 VAL MG1 1 33 ILE HG13 3.156 . 4.401 4.541 4.336 4.834 0.433 18 0 "[ . 1 . 2]" 1 852 1 31 VAL MG1 1 44 PHE QE 2.896 . 3.944 3.281 3.015 3.542 . 0 0 "[ . 1 . 2]" 1 853 1 31 VAL MG1 1 44 PHE HZ 2.958 . 4.052 2.659 2.462 2.999 . 0 0 "[ . 1 . 2]" 1 854 1 31 VAL MG1 1 63 LEU MD2 2.369 . 3.070 2.397 2.154 2.663 . 0 0 "[ . 1 . 2]" 1 855 1 31 VAL MG1 1 65 ILE HA 3.150 . 4.390 4.584 4.279 4.749 0.359 8 0 "[ . 1 . 2]" 1 856 1 31 VAL MG1 1 107 MET QG 2.907 . 3.855 3.035 2.822 3.266 . 0 0 "[ . 1 . 2]" 1 857 1 31 VAL MG1 1 108 ARG H 3.202 . 5.000 4.507 4.171 5.088 0.088 19 0 "[ . 1 . 2]" 1 858 1 31 VAL MG1 1 109 LEU HA 2.464 . 3.223 2.634 2.374 3.144 . 0 0 "[ . 1 . 2]" 1 859 1 31 VAL MG1 1 109 LEU MD2 2.172 . 2.762 1.979 1.900 2.079 . 0 0 "[ . 1 . 2]" 1 860 1 31 VAL MG1 1 109 LEU HG 3.360 . 4.771 3.596 3.120 4.149 . 0 0 "[ . 1 . 2]" 1 861 1 31 VAL MG2 1 32 GLY H 3.118 . 4.333 3.521 3.428 3.662 . 0 0 "[ . 1 . 2]" 1 862 1 31 VAL MG2 1 33 ILE H 3.271 . 4.608 4.097 3.821 4.337 . 0 0 "[ . 1 . 2]" 1 863 1 31 VAL MG2 1 33 ILE MD 2.527 . 3.325 2.485 2.228 2.807 . 0 0 "[ . 1 . 2]" 1 864 1 31 VAL MG2 1 33 ILE HG12 3.185 . 4.453 3.540 3.307 3.789 . 0 0 "[ . 1 . 2]" 1 865 1 31 VAL MG2 1 33 ILE HG13 2.892 . 3.937 2.427 2.240 2.566 . 0 0 "[ . 1 . 2]" 1 866 1 31 VAL MG2 1 44 PHE QE 2.690 . 3.595 2.385 2.245 2.710 . 0 0 "[ . 1 . 2]" 1 867 1 31 VAL MG2 1 44 PHE HZ 2.812 . 3.800 2.876 2.548 3.316 . 0 0 "[ . 1 . 2]" 1 868 1 31 VAL MG2 1 63 LEU MD1 2.631 . 3.496 2.735 2.375 3.079 . 0 0 "[ . 1 . 2]" 1 869 1 31 VAL MG2 1 65 ILE HA 2.561 . 3.381 2.241 2.061 2.359 . 0 0 "[ . 1 . 2]" 1 870 1 31 VAL MG2 1 65 ILE HA 2.322 . 2.996 1.917 1.843 2.080 . 0 0 "[ . 1 . 2]" 1 871 1 31 VAL MG2 1 65 ILE HB 3.271 . 4.608 4.284 4.106 4.456 . 0 0 "[ . 1 . 2]" 1 872 1 31 VAL MG2 1 65 ILE HG12 2.992 . 4.111 2.368 2.188 2.558 . 0 0 "[ . 1 . 2]" 1 873 1 31 VAL MG2 1 65 ILE HG13 2.896 . 3.944 3.317 3.176 3.479 . 0 0 "[ . 1 . 2]" 1 874 1 31 VAL MG2 1 65 ILE MG 2.512 . 3.301 2.541 2.208 2.727 . 0 0 "[ . 1 . 2]" 1 875 1 31 VAL MG2 1 107 MET QG 3.145 . 3.934 3.003 2.583 3.287 . 0 0 "[ . 1 . 2]" 1 876 1 32 GLY H 1 32 GLY HA2 2.937 . 4.015 2.978 2.942 3.010 . 0 0 "[ . 1 . 2]" 1 877 1 32 GLY H 1 33 ILE H 3.276 . 4.617 4.329 4.206 4.388 . 0 0 "[ . 1 . 2]" 1 878 1 32 GLY H 1 108 ARG H 3.110 . 4.319 2.775 2.612 2.955 . 0 0 "[ . 1 . 2]" 1 879 1 32 GLY H 1 110 LEU H 3.431 . 4.902 4.013 3.835 4.128 . 0 0 "[ . 1 . 2]" 1 880 1 32 GLY H 1 110 LEU MD1 3.060 . 4.230 3.606 3.447 3.772 . 0 0 "[ . 1 . 2]" 1 881 1 32 GLY H 1 110 LEU HG 3.081 . 4.268 2.806 2.611 2.968 . 0 0 "[ . 1 . 2]" 1 882 1 32 GLY HA2 1 33 ILE H 2.703 . 3.616 2.223 2.178 2.286 . 0 0 "[ . 1 . 2]" 1 883 1 32 GLY HA2 1 66 VAL HB 3.072 . 4.252 2.644 2.389 2.849 . 0 0 "[ . 1 . 2]" 1 884 1 32 GLY HA2 1 66 VAL MG1 2.978 . 4.087 3.814 3.669 4.043 . 0 0 "[ . 1 . 2]" 1 885 1 32 GLY HA2 1 66 VAL QG 3.197 . 4.475 3.484 3.331 3.655 . 0 0 "[ . 1 . 2]" 1 886 1 32 GLY HA2 1 66 VAL MG2 3.138 . 4.369 4.037 3.757 4.228 . 0 0 "[ . 1 . 2]" 1 887 1 32 GLY HA2 1 68 GLU HG3 3.118 . 4.333 3.047 2.744 3.336 . 0 0 "[ . 1 . 2]" 1 888 1 32 GLY HA2 1 110 LEU MD1 2.681 . 3.580 2.839 2.629 3.061 . 0 0 "[ . 1 . 2]" 1 889 1 32 GLY HA2 1 110 LEU MD2 3.119 . 4.335 4.093 3.883 4.380 0.045 17 0 "[ . 1 . 2]" 1 890 1 33 ILE H 1 33 ILE HB 2.818 . 3.811 2.741 2.666 2.809 . 0 0 "[ . 1 . 2]" 1 891 1 33 ILE H 1 33 ILE MD 3.332 . 4.720 4.224 4.091 4.340 . 0 0 "[ . 1 . 2]" 1 892 1 33 ILE H 1 33 ILE HG12 3.266 . 4.599 4.170 4.069 4.273 . 0 0 "[ . 1 . 2]" 1 893 1 33 ILE H 1 33 ILE HG13 3.194 . 4.470 3.086 2.942 3.251 . 0 0 "[ . 1 . 2]" 1 894 1 33 ILE H 1 33 ILE MG 2.940 . 4.021 3.916 3.863 3.961 . 0 0 "[ . 1 . 2]" 1 895 1 33 ILE H 1 34 GLY H 3.287 . 4.637 4.285 4.143 4.356 . 0 0 "[ . 1 . 2]" 1 896 1 33 ILE H 1 65 ILE MG 2.912 . 3.972 2.905 2.710 3.086 . 0 0 "[ . 1 . 2]" 1 897 1 33 ILE H 1 66 VAL H 3.200 . 4.480 3.567 3.364 3.691 . 0 0 "[ . 1 . 2]" 1 898 1 33 ILE H 1 66 VAL MG1 3.186 . 4.455 4.628 4.481 4.869 0.414 18 0 "[ . 1 . 2]" 1 899 1 33 ILE H 1 67 ASP HA 3.045 . 4.204 3.190 3.010 3.567 . 0 0 "[ . 1 . 2]" 1 900 1 33 ILE H 1 68 GLU H 2.943 . 4.026 3.619 3.323 3.812 . 0 0 "[ . 1 . 2]" 1 901 1 33 ILE H 1 68 GLU HG3 3.101 . 4.303 3.376 3.051 3.664 . 0 0 "[ . 1 . 2]" 1 902 1 33 ILE HA 1 33 ILE HB 2.909 . 3.967 3.062 3.042 3.084 . 0 0 "[ . 1 . 2]" 1 903 1 33 ILE HA 1 33 ILE MD 2.726 . 3.655 3.877 3.823 3.924 0.269 19 0 "[ . 1 . 2]" 1 904 1 33 ILE HA 1 33 ILE HG12 2.748 . 3.692 2.532 2.478 2.611 . 0 0 "[ . 1 . 2]" 1 905 1 33 ILE HA 1 33 ILE HG13 2.791 . 3.765 2.987 2.927 3.028 . 0 0 "[ . 1 . 2]" 1 906 1 33 ILE HA 1 33 ILE MG 2.277 . 2.925 2.429 2.349 2.473 . 0 0 "[ . 1 . 2]" 1 907 1 33 ILE HA 1 34 GLY H 2.668 . 3.558 2.179 2.098 2.240 . 0 0 "[ . 1 . 2]" 1 908 1 33 ILE HA 1 65 ILE MG 3.277 . 4.619 4.380 4.263 4.540 . 0 0 "[ . 1 . 2]" 1 909 1 33 ILE HA 1 107 MET HA 2.507 . 3.293 2.507 2.285 2.784 . 0 0 "[ . 1 . 2]" 1 910 1 33 ILE HA 1 107 MET QG 3.225 . 4.525 3.886 3.413 4.324 . 0 0 "[ . 1 . 2]" 1 911 1 33 ILE HB 1 33 ILE MD 2.502 . 3.285 2.415 2.304 2.490 . 0 0 "[ . 1 . 2]" 1 912 1 33 ILE HB 1 33 ILE HG12 2.972 . 4.076 3.060 3.024 3.086 . 0 0 "[ . 1 . 2]" 1 913 1 33 ILE HB 1 33 ILE HG13 2.816 . 3.807 2.547 2.517 2.589 . 0 0 "[ . 1 . 2]" 1 914 1 33 ILE HB 1 33 ILE MG 2.299 . 2.960 2.167 2.127 2.192 . 0 0 "[ . 1 . 2]" 1 915 1 33 ILE HB 1 65 ILE MG 2.372 . 3.075 2.356 2.234 2.554 . 0 0 "[ . 1 . 2]" 1 916 1 33 ILE MD 1 33 ILE HG13 2.484 . 3.255 2.140 2.087 2.198 . 0 0 "[ . 1 . 2]" 1 917 1 33 ILE MD 1 33 ILE MG 1.987 . 2.481 2.129 2.075 2.192 . 0 0 "[ . 1 . 2]" 1 918 1 33 ILE MD 1 39 MET HB2 3.221 . 4.518 3.917 3.515 4.343 . 0 0 "[ . 1 . 2]" 1 919 1 33 ILE MD 1 39 MET HB3 3.272 . 4.610 3.791 3.341 4.222 . 0 0 "[ . 1 . 2]" 1 920 1 33 ILE MD 1 39 MET ME 2.230 . 5.000 2.835 2.180 3.693 . 0 0 "[ . 1 . 2]" 1 921 1 33 ILE MD 1 39 MET QG 3.449 . 4.936 4.836 4.372 5.371 0.435 3 0 "[ . 1 . 2]" 1 922 1 33 ILE MD 1 41 LYS HA 2.989 . 4.106 3.293 2.748 3.642 . 0 0 "[ . 1 . 2]" 1 923 1 33 ILE MD 1 41 LYS HD2 3.047 . 5.000 4.393 4.023 4.834 . 0 0 "[ . 1 . 2]" 1 924 1 33 ILE MD 1 41 LYS QE 2.831 . 3.833 3.523 3.259 3.983 0.150 11 0 "[ . 1 . 2]" 1 925 1 33 ILE MD 1 41 LYS HG2 2.908 . 3.965 2.654 2.174 3.076 . 0 0 "[ . 1 . 2]" 1 926 1 33 ILE MD 1 41 LYS HG3 3.192 . 4.465 3.925 3.526 4.428 . 0 0 "[ . 1 . 2]" 1 927 1 33 ILE MD 1 44 PHE HB2 3.260 . 4.589 3.381 3.052 3.584 . 0 0 "[ . 1 . 2]" 1 928 1 33 ILE MD 1 44 PHE QD 2.858 . 3.879 2.962 2.763 3.151 . 0 0 "[ . 1 . 2]" 1 929 1 33 ILE MD 1 44 PHE QE 3.040 . 4.195 3.039 2.723 3.567 . 0 0 "[ . 1 . 2]" 1 930 1 33 ILE MD 1 44 PHE HZ 3.480 . 4.994 3.636 3.218 4.533 . 0 0 "[ . 1 . 2]" 1 931 1 33 ILE MD 1 45 VAL MG1 3.106 . 4.312 4.290 4.001 4.580 0.268 19 0 "[ . 1 . 2]" 1 932 1 33 ILE MD 1 63 LEU MD1 3.425 . 4.892 3.907 3.497 4.251 . 0 0 "[ . 1 . 2]" 1 933 1 33 ILE MD 1 65 ILE HB 3.328 . 4.712 4.133 4.053 4.229 . 0 0 "[ . 1 . 2]" 1 934 1 33 ILE MD 1 65 ILE MD 2.395 . 3.112 2.124 2.024 2.334 . 0 0 "[ . 1 . 2]" 1 935 1 33 ILE MD 1 65 ILE HG12 3.225 . 4.525 2.488 2.290 2.690 . 0 0 "[ . 1 . 2]" 1 936 1 33 ILE MD 1 65 ILE MG 2.296 . 2.955 2.091 1.987 2.189 . 0 0 "[ . 1 . 2]" 1 937 1 33 ILE MD 1 107 MET HA 3.205 . 4.489 4.403 4.134 4.648 0.159 19 0 "[ . 1 . 2]" 1 938 1 33 ILE MD 1 107 MET QG 3.126 . 4.347 3.250 2.810 3.779 . 0 0 "[ . 1 . 2]" 1 939 1 33 ILE HG12 1 33 ILE MG 2.581 . 3.414 2.345 2.255 2.426 . 0 0 "[ . 1 . 2]" 1 940 1 33 ILE HG12 1 39 MET ME 2.973 . 4.077 3.587 2.977 4.253 0.176 3 0 "[ . 1 . 2]" 1 941 1 33 ILE HG12 1 65 ILE MG 2.726 . 3.655 3.803 3.698 3.955 0.300 7 0 "[ . 1 . 2]" 1 942 1 33 ILE HG12 1 107 MET HA 3.312 . 4.684 2.822 2.543 3.113 . 0 0 "[ . 1 . 2]" 1 943 1 33 ILE HG13 1 33 ILE MG 2.596 . 3.438 3.231 3.196 3.266 . 0 0 "[ . 1 . 2]" 1 944 1 33 ILE HG13 1 65 ILE MG 2.820 . 3.814 2.467 2.259 2.647 . 0 0 "[ . 1 . 2]" 1 945 1 33 ILE MG 1 34 GLY H 2.795 . 3.772 2.681 2.589 2.834 . 0 0 "[ . 1 . 2]" 1 946 1 33 ILE MG 1 35 GLU HA 3.214 . 5.000 4.711 4.311 5.064 0.064 8 0 "[ . 1 . 2]" 1 947 1 33 ILE MG 1 37 SER H 3.024 . 4.167 3.999 3.759 4.125 . 0 0 "[ . 1 . 2]" 1 948 1 33 ILE MG 1 37 SER HA 3.306 . 4.672 4.781 4.498 4.988 0.316 10 0 "[ . 1 . 2]" 1 949 1 33 ILE MG 1 37 SER HB2 2.818 . 3.811 3.144 2.807 3.405 . 0 0 "[ . 1 . 2]" 1 950 1 33 ILE MG 1 37 SER HB3 2.843 . 3.853 2.898 2.585 3.154 . 0 0 "[ . 1 . 2]" 1 951 1 33 ILE MG 1 39 MET H 3.121 . 4.339 4.089 3.835 4.443 0.104 6 0 "[ . 1 . 2]" 1 952 1 33 ILE MG 1 39 MET HB2 2.856 . 3.876 2.636 2.349 3.027 . 0 0 "[ . 1 . 2]" 1 953 1 33 ILE MG 1 39 MET HB3 3.157 . 4.403 3.474 3.074 3.861 . 0 0 "[ . 1 . 2]" 1 954 1 33 ILE MG 1 39 MET ME 2.377 . 5.000 3.376 2.931 3.984 . 0 0 "[ . 1 . 2]" 1 955 1 33 ILE MG 1 39 MET QG 3.068 . 4.245 3.825 3.421 4.244 . 0 0 "[ . 1 . 2]" 1 956 1 33 ILE MG 1 41 LYS HD2 3.095 . 4.293 4.020 3.594 4.501 0.208 11 0 "[ . 1 . 2]" 1 957 1 33 ILE MG 1 41 LYS QD 3.272 . 4.610 3.888 3.497 4.326 . 0 0 "[ . 1 . 2]" 1 958 1 33 ILE MG 1 41 LYS HG2 3.169 . 4.424 3.165 2.866 3.512 . 0 0 "[ . 1 . 2]" 1 959 1 33 ILE MG 1 41 LYS HG3 3.134 . 4.361 3.523 3.041 4.097 . 0 0 "[ . 1 . 2]" 1 960 1 33 ILE MG 1 65 ILE MD 2.894 . 3.941 4.088 3.935 4.346 0.405 9 0 "[ . 1 . 2]" 1 961 1 33 ILE MG 1 65 ILE MG 2.602 . 3.448 3.473 3.358 3.645 0.197 9 0 "[ . 1 . 2]" 1 962 1 33 ILE MG 1 107 MET HA 2.948 . 4.034 3.538 3.381 3.685 . 0 0 "[ . 1 . 2]" 1 963 1 33 ILE MG 1 107 MET QG 3.298 . 4.657 4.188 3.730 4.607 . 0 0 "[ . 1 . 2]" 1 964 1 34 GLY H 1 34 GLY HA2 2.860 . 3.882 2.833 2.785 2.880 . 0 0 "[ . 1 . 2]" 1 965 1 34 GLY H 1 35 GLU H 3.163 . 4.413 4.599 4.549 4.665 0.252 3 0 "[ . 1 . 2]" 1 966 1 34 GLY H 1 107 MET HA 3.118 . 4.333 3.839 3.547 4.230 . 0 0 "[ . 1 . 2]" 1 967 1 34 GLY HA2 1 35 GLU H 2.892 . 3.937 2.166 2.074 2.265 . 0 0 "[ . 1 . 2]" 1 968 1 34 GLY HA2 1 68 GLU QB 3.065 . 4.239 2.754 2.253 3.145 . 0 0 "[ . 1 . 2]" 1 969 1 34 GLY HA2 1 104 GLY HA3 3.072 . 4.252 3.627 3.187 4.075 . 0 0 "[ . 1 . 2]" 1 970 1 35 GLU H 1 35 GLU HA 2.554 . 3.369 2.851 2.818 2.886 . 0 0 "[ . 1 . 2]" 1 971 1 35 GLU H 1 35 GLU HB2 2.784 . 3.753 3.557 3.474 3.597 . 0 0 "[ . 1 . 2]" 1 972 1 35 GLU H 1 35 GLU HB3 2.739 . 3.677 2.423 2.334 2.486 . 0 0 "[ . 1 . 2]" 1 973 1 35 GLU H 1 35 GLU HG2 3.023 . 4.166 2.125 2.058 2.240 . 0 0 "[ . 1 . 2]" 1 974 1 35 GLU H 1 35 GLU HG3 2.811 . 3.799 3.393 3.311 3.478 . 0 0 "[ . 1 . 2]" 1 975 1 35 GLU H 1 36 ARG H 2.787 . 3.758 2.704 2.580 2.851 . 0 0 "[ . 1 . 2]" 1 976 1 35 GLU H 1 37 SER H 3.381 . 4.810 4.211 4.055 4.344 . 0 0 "[ . 1 . 2]" 1 977 1 35 GLU H 1 68 GLU H 3.210 . 4.498 3.264 2.980 3.596 . 0 0 "[ . 1 . 2]" 1 978 1 35 GLU HA 1 35 GLU HB2 2.301 . 2.963 2.401 2.365 2.463 . 0 0 "[ . 1 . 2]" 1 979 1 35 GLU HA 1 35 GLU HB3 2.266 . 2.908 2.467 2.408 2.514 . 0 0 "[ . 1 . 2]" 1 980 1 35 GLU HA 1 35 GLU HG2 2.655 . 3.536 3.746 3.683 3.791 0.255 20 0 "[ . 1 . 2]" 1 981 1 35 GLU HA 1 35 GLU HG3 2.697 . 3.606 3.731 3.686 3.772 0.166 16 0 "[ . 1 . 2]" 1 982 1 35 GLU HA 1 36 ARG H 2.779 . 3.744 3.477 3.392 3.573 . 0 0 "[ . 1 . 2]" 1 983 1 35 GLU HA 1 37 SER H 3.039 . 4.193 3.797 3.723 3.992 . 0 0 "[ . 1 . 2]" 1 984 1 35 GLU HB2 1 35 GLU HG2 2.417 . 3.147 3.014 2.977 3.059 . 0 0 "[ . 1 . 2]" 1 985 1 35 GLU HB2 1 35 GLU HG2 2.191 . 2.791 2.676 2.655 2.696 . 0 0 "[ . 1 . 2]" 1 986 1 35 GLU HB2 1 35 GLU HG3 2.475 . 3.241 2.411 2.349 2.504 . 0 0 "[ . 1 . 2]" 1 987 1 35 GLU HB3 1 35 GLU HG2 2.390 . 3.104 2.459 2.400 2.523 . 0 0 "[ . 1 . 2]" 1 988 1 35 GLU HB3 1 35 GLU HG3 2.458 . 3.213 2.993 2.946 3.050 . 0 0 "[ . 1 . 2]" 1 989 1 35 GLU HB3 1 69 LYS HA 3.094 . 4.291 3.824 3.499 4.205 . 0 0 "[ . 1 . 2]" 1 990 1 35 GLU HB3 1 70 VAL MG1 3.125 . 5.500 4.679 4.160 5.534 0.034 20 0 "[ . 1 . 2]" 1 991 1 35 GLU HG2 1 36 ARG H 3.035 . 4.186 2.886 2.715 3.035 . 0 0 "[ . 1 . 2]" 1 992 1 35 GLU HG2 1 36 ARG HG3 3.036 . 4.188 3.279 2.867 3.536 . 0 0 "[ . 1 . 2]" 1 993 1 35 GLU HG2 1 69 LYS HA 2.882 . 3.920 2.651 2.422 2.872 . 0 0 "[ . 1 . 2]" 1 994 1 35 GLU HG2 1 70 VAL MG1 2.705 . 5.000 2.581 2.009 3.516 . 0 0 "[ . 1 . 2]" 1 995 1 35 GLU HG3 1 36 ARG H 3.249 . 4.568 2.988 2.741 3.153 . 0 0 "[ . 1 . 2]" 1 996 1 35 GLU HG3 1 36 ARG HG2 3.088 . 4.280 3.412 3.004 3.691 . 0 0 "[ . 1 . 2]" 1 997 1 35 GLU HG3 1 69 LYS HA 2.743 . 3.684 4.061 3.863 4.386 0.702 3 4 "[ *+ * 1 . -]" 1 998 1 35 GLU HG3 1 70 VAL H 3.063 . 4.236 4.258 3.884 4.839 0.603 20 2 "[ . 1 - . +]" 1 999 1 35 GLU HG3 1 70 VAL MG1 2.726 . 3.655 3.147 2.589 4.138 0.483 20 0 "[ . 1 . 2]" 1 1000 1 36 ARG H 1 36 ARG HA 2.621 . 3.480 2.989 2.960 3.012 . 0 0 "[ . 1 . 2]" 1 1001 1 36 ARG H 1 36 ARG HB2 2.735 . 3.670 2.607 2.533 2.749 . 0 0 "[ . 1 . 2]" 1 1002 1 36 ARG H 1 36 ARG HB3 2.819 . 3.813 3.761 3.722 3.833 0.020 8 0 "[ . 1 . 2]" 1 1003 1 36 ARG H 1 36 ARG HG2 2.676 . 3.571 3.984 3.756 4.105 0.534 7 2 "[ . + -1 . 2]" 1 1004 1 36 ARG H 1 37 SER H 2.349 . 3.039 2.494 2.338 2.627 . 0 0 "[ . 1 . 2]" 1 1005 1 36 ARG H 1 70 VAL MG1 2.881 . 3.918 2.716 2.261 3.151 . 0 0 "[ . 1 . 2]" 1 1006 1 36 ARG HA 1 36 ARG HB2 2.689 . 3.593 3.025 2.991 3.068 . 0 0 "[ . 1 . 2]" 1 1007 1 36 ARG HA 1 36 ARG HB3 2.444 . 3.191 2.458 2.384 2.492 . 0 0 "[ . 1 . 2]" 1 1008 1 36 ARG HA 1 36 ARG HG2 2.440 . 3.184 2.525 2.405 2.752 . 0 0 "[ . 1 . 2]" 1 1009 1 36 ARG HA 1 36 ARG QG 2.456 . 3.210 2.422 2.313 2.622 . 0 0 "[ . 1 . 2]" 1 1010 1 36 ARG HA 1 36 ARG HG2 3.006 . 4.136 2.424 2.337 2.573 . 0 0 "[ . 1 . 2]" 1 1011 1 36 ARG HA 1 37 SER H 2.702 . 3.614 3.010 2.919 3.155 . 0 0 "[ . 1 . 2]" 1 1012 1 36 ARG HB2 1 36 ARG HD3 2.581 . 3.414 3.119 2.474 3.801 0.387 8 0 "[ . 1 . 2]" 1 1013 1 36 ARG HB2 1 36 ARG QG 2.385 . 3.096 2.353 2.250 2.406 . 0 0 "[ . 1 . 2]" 1 1014 1 36 ARG HB2 1 37 SER H 3.212 . 4.502 4.041 3.859 4.143 . 0 0 "[ . 1 . 2]" 1 1015 1 36 ARG HB2 1 70 VAL MG1 2.936 . 4.013 2.177 1.958 2.713 . 0 0 "[ . 1 . 2]" 1 1016 1 36 ARG HB2 1 105 ASN HA 3.185 . 5.000 4.548 3.345 5.486 0.486 13 0 "[ . 1 . 2]" 1 1017 1 36 ARG HB3 1 36 ARG HD3 2.493 . 3.270 2.556 2.177 3.595 0.325 8 0 "[ . 1 . 2]" 1 1018 1 36 ARG HB3 1 36 ARG HG2 2.556 . 3.372 2.465 2.377 2.608 . 0 0 "[ . 1 . 2]" 1 1019 1 36 ARG HB3 1 36 ARG QG 2.605 . 3.453 2.358 2.289 2.465 . 0 0 "[ . 1 . 2]" 1 1020 1 36 ARG HB3 1 70 VAL MG1 3.121 . 4.339 3.560 3.352 3.929 . 0 0 "[ . 1 . 2]" 1 1021 1 36 ARG HD3 1 36 ARG QG 2.168 . 2.755 2.345 2.205 2.425 . 0 0 "[ . 1 . 2]" 1 1022 1 36 ARG HD3 1 70 VAL MG1 2.262 . 5.000 3.820 3.197 4.865 . 0 0 "[ . 1 . 2]" 1 1023 1 36 ARG HD3 1 70 VAL MG2 2.944 . 5.000 4.017 2.113 4.710 . 0 0 "[ . 1 . 2]" 1 1024 1 36 ARG HD3 1 88 TYR QD 3.329 . 5.000 4.650 3.546 5.830 0.830 14 1 "[ . 1 +. 2]" 1 1025 1 36 ARG HD3 1 101 ILE MD 2.648 . 5.000 3.547 2.654 4.701 . 0 0 "[ . 1 . 2]" 1 1026 1 36 ARG HG2 1 70 VAL MG2 3.027 . 4.172 4.327 3.924 4.597 0.425 6 0 "[ . 1 . 2]" 1 1027 1 36 ARG HG3 1 70 VAL MG2 3.125 . 4.345 3.649 2.871 3.992 . 0 0 "[ . 1 . 2]" 1 1028 1 37 SER H 1 37 SER HA 2.660 . 3.544 2.881 2.839 2.938 . 0 0 "[ . 1 . 2]" 1 1029 1 37 SER H 1 37 SER HB2 2.793 . 3.768 3.622 3.569 3.655 . 0 0 "[ . 1 . 2]" 1 1030 1 37 SER H 1 37 SER HB3 2.871 . 3.901 2.600 2.528 2.675 . 0 0 "[ . 1 . 2]" 1 1031 1 37 SER H 1 38 ALA H 3.431 . 4.902 4.645 4.585 4.700 . 0 0 "[ . 1 . 2]" 1 1032 1 37 SER H 1 39 MET H 3.291 . 5.000 4.635 4.365 5.195 0.195 8 0 "[ . 1 . 2]" 1 1033 1 37 SER HA 1 37 SER HB2 2.307 . 2.972 2.427 2.362 2.500 . 0 0 "[ . 1 . 2]" 1 1034 1 37 SER HA 1 37 SER HB3 2.293 . 2.950 2.470 2.422 2.516 . 0 0 "[ . 1 . 2]" 1 1035 1 37 SER HA 1 38 ALA H 3.181 . 4.446 2.295 2.180 2.467 . 0 0 "[ . 1 . 2]" 1 1036 1 37 SER HA 1 39 MET H 3.249 . 4.568 3.832 3.620 4.097 . 0 0 "[ . 1 . 2]" 1 1037 1 37 SER HA 1 105 ASN HA 2.527 . 3.325 2.436 2.060 3.255 . 0 0 "[ . 1 . 2]" 1 1038 1 37 SER HA 1 106 GLU HA 3.114 . 5.000 4.352 3.667 5.272 0.272 13 0 "[ . 1 . 2]" 1 1039 1 38 ALA H 1 38 ALA HA 2.941 . 4.022 2.923 2.892 2.967 . 0 0 "[ . 1 . 2]" 1 1040 1 38 ALA H 1 38 ALA MB 2.761 . 3.714 2.222 2.186 2.270 . 0 0 "[ . 1 . 2]" 1 1041 1 38 ALA H 1 39 MET H 2.979 . 4.088 2.704 2.410 3.172 . 0 0 "[ . 1 . 2]" 1 1042 1 38 ALA HA 1 38 ALA MB 1.784 . 2.182 2.159 2.112 2.203 0.021 13 0 "[ . 1 . 2]" 1 1043 1 38 ALA HA 1 39 MET H 2.689 . 3.593 3.211 2.806 3.449 . 0 0 "[ . 1 . 2]" 1 1044 1 38 ALA MB 1 39 MET H 2.676 . 3.571 3.326 2.883 3.695 0.124 4 0 "[ . 1 . 2]" 1 1045 1 38 ALA MB 1 39 MET HA 3.145 . 4.381 4.016 3.790 4.232 . 0 0 "[ . 1 . 2]" 1 1046 1 39 MET H 1 39 MET HA 2.583 . 3.417 2.903 2.813 2.995 . 0 0 "[ . 1 . 2]" 1 1047 1 39 MET H 1 39 MET HB2 2.525 . 3.322 2.443 2.331 2.600 . 0 0 "[ . 1 . 2]" 1 1048 1 39 MET H 1 39 MET HB3 2.689 . 3.593 3.612 3.483 3.760 0.167 7 0 "[ . 1 . 2]" 1 1049 1 39 MET H 1 39 MET HG3 2.600 . 3.445 2.507 2.100 3.073 . 0 0 "[ . 1 . 2]" 1 1050 1 39 MET H 1 40 ASP H 3.219 . 4.514 4.532 4.420 4.635 0.121 20 0 "[ . 1 . 2]" 1 1051 1 39 MET HA 1 39 MET HB2 2.581 . 3.414 3.022 2.981 3.055 . 0 0 "[ . 1 . 2]" 1 1052 1 39 MET HA 1 39 MET HB3 2.510 . 3.297 2.474 2.417 2.539 . 0 0 "[ . 1 . 2]" 1 1053 1 39 MET HA 1 39 MET ME 2.820 . 3.814 3.902 3.709 4.105 0.291 5 0 "[ . 1 . 2]" 1 1054 1 39 MET HA 1 39 MET QG 2.462 . 3.220 2.419 2.276 2.528 . 0 0 "[ . 1 . 2]" 1 1055 1 39 MET HA 1 39 MET HG3 2.469 . 3.231 3.058 2.978 3.136 . 0 0 "[ . 1 . 2]" 1 1056 1 39 MET HA 1 40 ASP H 2.573 . 3.400 2.182 2.095 2.276 . 0 0 "[ . 1 . 2]" 1 1057 1 39 MET HB2 1 39 MET ME 2.448 . 3.197 3.131 2.983 3.266 0.069 13 0 "[ . 1 . 2]" 1 1058 1 39 MET HB3 1 39 MET ME 2.677 . 3.573 2.159 2.036 2.254 . 0 0 "[ . 1 . 2]" 1 1059 1 39 MET HB3 1 44 PHE QD 3.503 . 5.037 4.079 3.773 4.321 . 0 0 "[ . 1 . 2]" 1 1060 1 39 MET ME 1 39 MET HG2 2.340 . 3.024 2.387 2.235 2.502 . 0 0 "[ . 1 . 2]" 1 1061 1 39 MET ME 1 39 MET HG2 2.596 . 3.438 2.077 2.013 2.144 . 0 0 "[ . 1 . 2]" 1 1062 1 39 MET ME 1 44 PHE QD 2.560 . 3.379 2.170 1.985 2.334 . 0 0 "[ . 1 . 2]" 1 1063 1 39 MET ME 1 44 PHE QE 2.527 . 3.325 2.428 2.204 2.636 . 0 0 "[ . 1 . 2]" 1 1064 1 39 MET ME 1 44 PHE HZ 2.786 . 3.756 3.315 2.138 4.069 0.313 9 0 "[ . 1 . 2]" 1 1065 1 39 MET ME 1 106 GLU QG 2.968 . 5.500 4.779 4.211 5.608 0.108 6 0 "[ . 1 . 2]" 1 1066 1 39 MET ME 1 107 MET H 2.886 . 3.927 3.488 3.112 3.898 . 0 0 "[ . 1 . 2]" 1 1067 1 39 MET ME 1 107 MET HA 2.875 . 3.908 3.936 3.628 4.122 0.214 5 0 "[ . 1 . 2]" 1 1068 1 39 MET ME 1 107 MET HB3 2.408 . 3.133 2.057 1.980 2.109 . 0 0 "[ . 1 . 2]" 1 1069 1 40 ASP H 1 40 ASP QB 3.009 . 4.083 2.373 2.282 2.455 . 0 0 "[ . 1 . 2]" 1 1070 1 40 ASP HA 1 41 LYS H 2.716 . 3.638 2.232 2.170 2.302 . 0 0 "[ . 1 . 2]" 1 1071 1 40 ASP HA 1 42 SER H 3.192 . 4.465 3.883 3.733 4.030 . 0 0 "[ . 1 . 2]" 1 1072 1 40 ASP QB 1 43 LEU HA 2.993 . 4.113 3.976 3.806 4.126 0.013 10 0 "[ . 1 . 2]" 1 1073 1 40 ASP QB 1 43 LEU QB 3.048 . 4.209 2.382 2.225 2.535 . 0 0 "[ . 1 . 2]" 1 1074 1 40 ASP QB 1 43 LEU MD1 2.734 . 3.669 2.290 2.165 2.450 . 0 0 "[ . 1 . 2]" 1 1075 1 40 ASP QB 1 43 LEU MD2 3.156 . 5.500 4.137 3.820 4.487 . 0 0 "[ . 1 . 2]" 1 1076 1 41 LYS H 1 41 LYS HA 2.843 . 3.853 2.883 2.852 2.917 . 0 0 "[ . 1 . 2]" 1 1077 1 41 LYS H 1 41 LYS HB2 2.759 . 3.711 2.385 2.314 2.467 . 0 0 "[ . 1 . 2]" 1 1078 1 41 LYS H 1 41 LYS HB3 2.764 . 3.719 3.576 3.504 3.623 . 0 0 "[ . 1 . 2]" 1 1079 1 41 LYS H 1 41 LYS HG3 2.886 . 3.927 2.330 2.199 2.432 . 0 0 "[ . 1 . 2]" 1 1080 1 41 LYS H 1 42 SER H 2.636 . 3.505 2.657 2.471 2.865 . 0 0 "[ . 1 . 2]" 1 1081 1 41 LYS HA 1 41 LYS HB2 2.590 . 3.428 3.022 2.988 3.061 . 0 0 "[ . 1 . 2]" 1 1082 1 41 LYS HA 1 41 LYS QB 2.498 . 3.278 2.388 2.348 2.438 . 0 0 "[ . 1 . 2]" 1 1083 1 41 LYS HA 1 41 LYS HB3 2.593 . 3.433 2.502 2.449 2.561 . 0 0 "[ . 1 . 2]" 1 1084 1 41 LYS HA 1 41 LYS QD 3.183 . 4.449 4.219 4.145 4.275 . 0 0 "[ . 1 . 2]" 1 1085 1 41 LYS HA 1 41 LYS HD3 3.196 . 4.473 4.644 4.561 4.719 0.246 1 0 "[ . 1 . 2]" 1 1086 1 41 LYS HA 1 41 LYS QE 2.980 . 4.090 4.050 3.954 4.157 0.067 17 0 "[ . 1 . 2]" 1 1087 1 41 LYS HA 1 41 LYS HG2 2.701 . 3.613 2.570 2.467 2.657 . 0 0 "[ . 1 . 2]" 1 1088 1 41 LYS HA 1 41 LYS HG3 2.828 . 3.828 3.003 2.915 3.082 . 0 0 "[ . 1 . 2]" 1 1089 1 41 LYS HA 1 42 SER H 3.102 . 4.305 3.530 3.485 3.580 . 0 0 "[ . 1 . 2]" 1 1090 1 41 LYS HA 1 44 PHE H 2.935 . 4.012 3.231 3.081 3.374 . 0 0 "[ . 1 . 2]" 1 1091 1 41 LYS HA 1 44 PHE HB2 2.709 . 3.626 2.931 2.781 3.203 . 0 0 "[ . 1 . 2]" 1 1092 1 41 LYS HA 1 44 PHE HB3 2.648 . 3.525 2.419 2.224 2.610 . 0 0 "[ . 1 . 2]" 1 1093 1 41 LYS HA 1 44 PHE QD 2.933 . 4.008 4.092 3.947 4.255 0.247 11 0 "[ . 1 . 2]" 1 1094 1 41 LYS HA 1 45 VAL H 3.056 . 4.223 4.030 3.869 4.237 0.014 18 0 "[ . 1 . 2]" 1 1095 1 41 LYS HA 1 45 VAL MG1 2.934 . 4.010 3.994 3.837 4.203 0.193 5 0 "[ . 1 . 2]" 1 1096 1 41 LYS HA 1 65 ILE MD 2.998 . 4.122 2.921 2.577 3.268 . 0 0 "[ . 1 . 2]" 1 1097 1 41 LYS QB 1 41 LYS HG3 2.645 . 3.519 2.400 2.323 2.469 . 0 0 "[ . 1 . 2]" 1 1098 1 41 LYS HB2 1 41 LYS HD2 2.384 . 3.094 2.713 2.313 2.924 . 0 0 "[ . 1 . 2]" 1 1099 1 41 LYS HB2 1 41 LYS QE 2.471 . 3.234 2.957 2.825 3.053 . 0 0 "[ . 1 . 2]" 1 1100 1 41 LYS HB2 1 41 LYS HG2 2.726 . 3.655 3.044 3.009 3.079 . 0 0 "[ . 1 . 2]" 1 1101 1 41 LYS HB2 1 41 LYS HG3 2.769 . 3.727 2.513 2.414 2.602 . 0 0 "[ . 1 . 2]" 1 1102 1 41 LYS HB2 1 42 SER H 2.838 . 3.844 2.851 2.696 2.927 . 0 0 "[ . 1 . 2]" 1 1103 1 41 LYS HB2 1 65 ILE MD 3.112 . 4.323 3.895 3.753 4.250 . 0 0 "[ . 1 . 2]" 1 1104 1 41 LYS HB3 1 41 LYS HD3 2.397 . 3.115 2.580 2.271 2.742 . 0 0 "[ . 1 . 2]" 1 1105 1 41 LYS HB3 1 41 LYS QE 2.512 . 3.301 2.140 2.038 2.295 . 0 0 "[ . 1 . 2]" 1 1106 1 41 LYS HB3 1 41 LYS HG2 2.752 . 3.699 2.453 2.417 2.510 . 0 0 "[ . 1 . 2]" 1 1107 1 41 LYS HB3 1 41 LYS HG3 2.726 . 3.655 3.042 3.009 3.074 . 0 0 "[ . 1 . 2]" 1 1108 1 41 LYS HB3 1 42 SER H 2.960 . 4.055 3.773 3.648 3.845 . 0 0 "[ . 1 . 2]" 1 1109 1 41 LYS HB3 1 45 VAL MG1 3.180 . 4.444 3.671 3.493 3.906 . 0 0 "[ . 1 . 2]" 1 1110 1 41 LYS HB3 1 65 ILE MD 3.008 . 4.139 2.483 2.301 2.805 . 0 0 "[ . 1 . 2]" 1 1111 1 41 LYS QD 1 41 LYS QE 2.292 . 2.948 2.100 2.082 2.122 . 0 0 "[ . 1 . 2]" 1 1112 1 41 LYS QD 1 41 LYS HG2 2.537 . 3.342 2.391 2.367 2.440 . 0 0 "[ . 1 . 2]" 1 1113 1 41 LYS QD 1 41 LYS HG3 2.442 . 3.187 2.165 2.129 2.219 . 0 0 "[ . 1 . 2]" 1 1114 1 41 LYS QD 1 65 ILE MD 2.998 . 4.121 3.777 3.623 4.064 . 0 0 "[ . 1 . 2]" 1 1115 1 41 LYS HD2 1 41 LYS QE 2.242 . 2.870 2.357 2.297 2.384 . 0 0 "[ . 1 . 2]" 1 1116 1 41 LYS HD2 1 41 LYS HG2 2.519 . 3.312 2.505 2.473 2.572 . 0 0 "[ . 1 . 2]" 1 1117 1 41 LYS HD2 1 41 LYS HG3 2.448 . 3.197 2.383 2.333 2.441 . 0 0 "[ . 1 . 2]" 1 1118 1 41 LYS HD2 1 65 ILE MD 2.899 . 5.000 4.166 3.919 4.470 . 0 0 "[ . 1 . 2]" 1 1119 1 41 LYS HD2 1 65 ILE MG 2.816 . 3.807 3.443 3.101 3.712 . 0 0 "[ . 1 . 2]" 1 1120 1 41 LYS HD3 1 41 LYS QE 2.247 . 2.878 2.358 2.325 2.392 . 0 0 "[ . 1 . 2]" 1 1121 1 41 LYS HD3 1 41 LYS HG2 2.567 . 3.390 3.026 2.987 3.106 . 0 0 "[ . 1 . 2]" 1 1122 1 41 LYS HD3 1 41 LYS HG3 2.553 . 3.368 2.484 2.412 2.548 . 0 0 "[ . 1 . 2]" 1 1123 1 41 LYS HD3 1 65 ILE MD 3.037 . 4.190 4.328 4.206 4.669 0.479 9 0 "[ . 1 . 2]" 1 1124 1 41 LYS QE 1 41 LYS HG2 2.527 . 3.325 2.418 2.340 2.518 . 0 0 "[ . 1 . 2]" 1 1125 1 41 LYS QE 1 41 LYS HG3 2.419 . 3.150 3.339 3.286 3.378 0.228 11 0 "[ . 1 . 2]" 1 1126 1 41 LYS QE 1 45 VAL MG1 3.071 . 4.250 4.306 3.991 4.654 0.404 8 0 "[ . 1 . 2]" 1 1127 1 41 LYS QE 1 65 ILE MD 2.590 . 3.428 2.375 2.165 2.600 . 0 0 "[ . 1 . 2]" 1 1128 1 41 LYS QE 1 65 ILE MG 2.426 . 3.162 1.949 1.885 2.041 . 0 0 "[ . 1 . 2]" 1 1129 1 41 LYS HG2 1 65 ILE MD 2.926 . 3.996 2.486 2.291 2.833 . 0 0 "[ . 1 . 2]" 1 1130 1 41 LYS HG2 1 65 ILE MG 3.227 . 4.529 2.744 2.387 3.048 . 0 0 "[ . 1 . 2]" 1 1131 1 41 LYS HG3 1 42 SER H 3.299 . 4.660 4.520 4.398 4.717 0.057 20 0 "[ . 1 . 2]" 1 1132 1 41 LYS HG3 1 65 ILE MD 3.003 . 4.130 3.962 3.789 4.297 0.167 9 0 "[ . 1 . 2]" 1 1133 1 41 LYS HG3 1 65 ILE MG 3.223 . 4.521 4.199 3.883 4.499 . 0 0 "[ . 1 . 2]" 1 1134 1 42 SER H 1 42 SER HA 2.545 . 3.355 2.896 2.852 2.945 . 0 0 "[ . 1 . 2]" 1 1135 1 42 SER H 1 42 SER QB 2.352 . 3.043 2.372 2.254 2.571 . 0 0 "[ . 1 . 2]" 1 1136 1 42 SER H 1 43 LEU H 2.334 . 3.015 2.563 2.473 2.658 . 0 0 "[ . 1 . 2]" 1 1137 1 42 SER H 1 44 PHE H 3.102 . 4.305 3.729 3.649 3.838 . 0 0 "[ . 1 . 2]" 1 1138 1 42 SER HA 1 42 SER QB 2.126 . 2.691 2.370 2.347 2.422 . 0 0 "[ . 1 . 2]" 1 1139 1 42 SER HA 1 43 LEU H 3.192 . 4.465 3.556 3.495 3.644 . 0 0 "[ . 1 . 2]" 1 1140 1 42 SER HA 1 45 VAL H 3.074 . 4.255 3.588 3.355 3.790 . 0 0 "[ . 1 . 2]" 1 1141 1 42 SER HA 1 45 VAL MG1 2.709 . 3.626 3.772 3.578 3.946 0.320 1 0 "[ . 1 . 2]" 1 1142 1 42 SER HA 1 45 VAL MG2 2.514 . 3.304 2.358 2.159 2.596 . 0 0 "[ . 1 . 2]" 1 1143 1 42 SER QB 1 43 LEU H 2.760 . 3.712 2.681 2.551 2.777 . 0 0 "[ . 1 . 2]" 1 1144 1 42 SER QB 1 43 LEU MD2 2.721 . 3.647 3.818 3.622 4.032 0.385 6 0 "[ . 1 . 2]" 1 1145 1 42 SER QB 1 45 VAL MG2 3.185 . 4.453 3.984 3.653 4.291 . 0 0 "[ . 1 . 2]" 1 1146 1 43 LEU H 1 43 LEU HA 2.551 . 3.364 2.907 2.860 2.959 . 0 0 "[ . 1 . 2]" 1 1147 1 43 LEU H 1 43 LEU QB 2.716 . 3.537 2.434 2.349 2.496 . 0 0 "[ . 1 . 2]" 1 1148 1 43 LEU H 1 43 LEU MD1 2.855 . 3.874 3.669 3.542 3.738 . 0 0 "[ . 1 . 2]" 1 1149 1 43 LEU H 1 43 LEU MD2 2.830 . 3.831 3.549 3.413 3.684 . 0 0 "[ . 1 . 2]" 1 1150 1 43 LEU H 1 44 PHE H 2.554 . 3.369 2.371 2.288 2.459 . 0 0 "[ . 1 . 2]" 1 1151 1 43 LEU H 1 46 SER H 3.455 . 4.947 4.773 4.638 4.983 0.036 15 0 "[ . 1 . 2]" 1 1152 1 43 LEU HA 1 43 LEU QB 2.527 . 3.325 2.366 2.318 2.388 . 0 0 "[ . 1 . 2]" 1 1153 1 43 LEU HA 1 43 LEU MD2 2.051 . 2.577 2.136 2.026 2.234 . 0 0 "[ . 1 . 2]" 1 1154 1 43 LEU HA 1 43 LEU HG 2.206 . 2.814 3.081 2.999 3.162 0.348 2 0 "[ . 1 . 2]" 1 1155 1 43 LEU HA 1 44 PHE H 3.194 . 4.470 3.497 3.455 3.567 . 0 0 "[ . 1 . 2]" 1 1156 1 43 LEU HA 1 46 SER H 2.813 . 3.802 3.231 3.085 3.421 . 0 0 "[ . 1 . 2]" 1 1157 1 43 LEU HA 1 47 ALA H 3.180 . 4.444 3.895 3.802 4.045 . 0 0 "[ . 1 . 2]" 1 1158 1 43 LEU QB 1 43 LEU MD1 2.332 . 2.616 2.078 1.997 2.165 . 0 0 "[ . 1 . 2]" 1 1159 1 43 LEU QB 1 43 LEU MD1 2.215 . 2.828 1.936 1.880 1.994 . 0 0 "[ . 1 . 2]" 1 1160 1 43 LEU QB 1 43 LEU MD2 2.377 . 3.083 2.292 2.231 2.355 . 0 0 "[ . 1 . 2]" 1 1161 1 43 LEU QB 1 43 LEU MD2 2.127 . 2.693 2.069 2.028 2.097 . 0 0 "[ . 1 . 2]" 1 1162 1 43 LEU QB 1 44 PHE H 3.146 . 4.360 2.854 2.787 2.923 . 0 0 "[ . 1 . 2]" 1 1163 1 43 LEU MD1 1 43 LEU MD2 1.439 . 1.698 1.858 1.812 1.882 0.184 18 0 "[ . 1 . 2]" 1 1164 1 43 LEU MD2 1 44 PHE H 3.259 . 4.587 4.777 4.706 4.843 0.256 20 0 "[ . 1 . 2]" 1 1165 1 43 LEU MD2 1 46 SER H 3.371 . 4.791 4.832 4.652 5.033 0.242 7 0 "[ . 1 . 2]" 1 1166 1 44 PHE H 1 44 PHE HA 2.710 . 3.628 2.869 2.839 2.894 . 0 0 "[ . 1 . 2]" 1 1167 1 44 PHE H 1 44 PHE HB2 2.709 . 3.626 2.524 2.454 2.658 . 0 0 "[ . 1 . 2]" 1 1168 1 44 PHE H 1 44 PHE HB3 2.786 . 3.756 2.539 2.458 2.578 . 0 0 "[ . 1 . 2]" 1 1169 1 44 PHE H 1 45 VAL H 2.642 . 3.515 2.723 2.623 2.812 . 0 0 "[ . 1 . 2]" 1 1170 1 44 PHE H 1 45 VAL MG1 3.234 . 4.542 4.353 4.220 4.422 . 0 0 "[ . 1 . 2]" 1 1171 1 44 PHE H 1 46 SER H 3.255 . 4.580 3.869 3.767 3.985 . 0 0 "[ . 1 . 2]" 1 1172 1 44 PHE H 1 46 SER H 3.332 . 4.720 3.426 3.312 3.497 . 0 0 "[ . 1 . 2]" 1 1173 1 44 PHE HA 1 44 PHE HB2 2.777 . 3.741 2.497 2.456 2.532 . 0 0 "[ . 1 . 2]" 1 1174 1 44 PHE HA 1 44 PHE HB3 2.823 . 3.819 3.038 2.982 3.084 . 0 0 "[ . 1 . 2]" 1 1175 1 44 PHE HA 1 44 PHE QD 2.793 . 3.768 2.821 2.680 2.971 . 0 0 "[ . 1 . 2]" 1 1176 1 44 PHE HA 1 45 VAL H 3.159 . 4.407 3.611 3.571 3.658 . 0 0 "[ . 1 . 2]" 1 1177 1 44 PHE HA 1 47 ALA H 3.196 . 4.473 3.442 3.360 3.511 . 0 0 "[ . 1 . 2]" 1 1178 1 44 PHE HA 1 47 ALA MB 2.670 . 3.561 2.645 2.552 2.721 . 0 0 "[ . 1 . 2]" 1 1179 1 44 PHE HB2 1 44 PHE QD 2.814 . 3.804 2.454 2.391 2.517 . 0 0 "[ . 1 . 2]" 1 1180 1 44 PHE HB2 1 44 PHE QE 3.464 . 4.964 4.451 4.403 4.497 . 0 0 "[ . 1 . 2]" 1 1181 1 44 PHE HB2 1 45 VAL H 3.017 . 4.154 3.864 3.784 3.986 . 0 0 "[ . 1 . 2]" 1 1182 1 44 PHE HB3 1 44 PHE QD 2.837 . 3.843 2.363 2.317 2.435 . 0 0 "[ . 1 . 2]" 1 1183 1 44 PHE HB3 1 44 PHE QE 3.375 . 4.799 4.411 4.359 4.446 . 0 0 "[ . 1 . 2]" 1 1184 1 44 PHE HB3 1 45 VAL H 2.911 . 3.970 2.529 2.435 2.673 . 0 0 "[ . 1 . 2]" 1 1185 1 44 PHE QD 1 44 PHE HZ 2.760 . 3.712 3.561 3.192 3.669 . 0 0 "[ . 1 . 2]" 1 1186 1 44 PHE QD 1 45 VAL MG1 2.658 . 3.541 2.641 2.485 2.797 . 0 0 "[ . 1 . 2]" 1 1187 1 44 PHE QD 1 45 VAL MG2 3.120 . 4.337 4.554 4.394 4.716 0.379 18 0 "[ . 1 . 2]" 1 1188 1 44 PHE QD 1 47 ALA MB 3.089 . 4.282 4.042 3.903 4.138 . 0 0 "[ . 1 . 2]" 1 1189 1 44 PHE QD 1 63 LEU MD1 2.544 . 3.353 2.401 2.247 2.589 . 0 0 "[ . 1 . 2]" 1 1190 1 44 PHE QD 1 65 ILE MD 2.594 . 3.435 2.191 2.017 2.352 . 0 0 "[ . 1 . 2]" 1 1191 1 44 PHE QD 1 65 ILE MG 3.344 . 4.742 4.657 4.483 4.779 0.037 5 0 "[ . 1 . 2]" 1 1192 1 44 PHE QE 1 45 VAL MG1 3.204 . 4.487 4.048 3.784 4.263 . 0 0 "[ . 1 . 2]" 1 1193 1 44 PHE QE 1 63 LEU MD1 2.768 . 3.725 2.147 2.009 2.300 . 0 0 "[ . 1 . 2]" 1 1194 1 44 PHE QE 1 63 LEU MD2 2.766 . 3.722 2.204 2.041 2.403 . 0 0 "[ . 1 . 2]" 1 1195 1 44 PHE QE 1 65 ILE MD 2.861 . 3.884 3.601 3.372 3.955 0.071 18 0 "[ . 1 . 2]" 1 1196 1 44 PHE QE 1 107 MET QG 3.152 . 5.000 3.357 2.439 4.178 . 0 0 "[ . 1 . 2]" 1 1197 1 44 PHE HZ 1 63 LEU MD2 3.421 . 4.884 3.300 2.915 3.551 . 0 0 "[ . 1 . 2]" 1 1198 1 44 PHE HZ 1 107 MET QG 3.417 . 4.450 3.115 2.203 4.193 . 0 0 "[ . 1 . 2]" 1 1199 1 45 VAL H 1 45 VAL HA 2.694 . 3.601 2.888 2.841 2.932 . 0 0 "[ . 1 . 2]" 1 1200 1 45 VAL H 1 45 VAL MG1 2.238 . 2.864 2.294 2.212 2.389 . 0 0 "[ . 1 . 2]" 1 1201 1 45 VAL H 1 45 VAL MG2 2.573 . 3.400 2.124 2.022 2.199 . 0 0 "[ . 1 . 2]" 1 1202 1 45 VAL H 1 46 SER H 2.481 . 3.250 2.542 2.475 2.638 . 0 0 "[ . 1 . 2]" 1 1203 1 45 VAL H 1 47 ALA H 3.331 . 4.718 4.153 4.087 4.253 . 0 0 "[ . 1 . 2]" 1 1204 1 45 VAL H 1 65 ILE MD 3.057 . 4.225 3.659 3.418 3.815 . 0 0 "[ . 1 . 2]" 1 1205 1 45 VAL HA 1 45 VAL HB 2.863 . 3.888 2.481 2.413 2.525 . 0 0 "[ . 1 . 2]" 1 1206 1 45 VAL HA 1 45 VAL MG1 2.148 . 2.725 2.354 2.263 2.411 . 0 0 "[ . 1 . 2]" 1 1207 1 45 VAL HA 1 45 VAL MG2 2.359 . 3.055 3.262 3.233 3.309 0.254 1 0 "[ . 1 . 2]" 1 1208 1 45 VAL HA 1 46 SER H 3.081 . 4.268 3.494 3.435 3.567 . 0 0 "[ . 1 . 2]" 1 1209 1 45 VAL HA 1 48 PHE H 3.071 . 4.250 3.132 2.933 3.350 . 0 0 "[ . 1 . 2]" 1 1210 1 45 VAL HA 1 48 PHE HB2 3.163 . 4.414 3.136 2.798 3.424 . 0 0 "[ . 1 . 2]" 1 1211 1 45 VAL HA 1 48 PHE HB3 3.029 . 4.176 2.845 2.588 3.228 . 0 0 "[ . 1 . 2]" 1 1212 1 45 VAL HA 1 63 LEU MD1 2.615 . 3.470 3.322 3.056 3.628 0.158 3 0 "[ . 1 . 2]" 1 1213 1 45 VAL HA 1 65 ILE MD 3.146 . 4.383 4.133 3.914 4.361 . 0 0 "[ . 1 . 2]" 1 1214 1 45 VAL HB 1 45 VAL MG1 2.109 . 2.665 2.144 2.112 2.170 . 0 0 "[ . 1 . 2]" 1 1215 1 45 VAL HB 1 45 VAL MG2 2.085 . 2.628 2.156 2.128 2.191 . 0 0 "[ . 1 . 2]" 1 1216 1 45 VAL MG1 1 45 VAL MG2 1.793 . 2.195 2.086 2.045 2.117 . 0 0 "[ . 1 . 2]" 1 1217 1 45 VAL MG1 1 63 LEU MD1 2.334 . 3.015 2.178 1.969 2.522 . 0 0 "[ . 1 . 2]" 1 1218 1 45 VAL MG1 1 63 LEU MD2 3.153 . 4.396 4.389 4.186 4.648 0.252 9 0 "[ . 1 . 2]" 1 1219 1 45 VAL MG1 1 65 ILE MD 2.081 . 2.622 2.059 1.997 2.195 . 0 0 "[ . 1 . 2]" 1 1220 1 45 VAL MG1 1 65 ILE HG13 3.167 . 4.420 3.114 2.830 3.383 . 0 0 "[ . 1 . 2]" 1 1221 1 45 VAL MG2 1 46 SER H 2.603 . 3.450 2.564 2.437 2.632 . 0 0 "[ . 1 . 2]" 1 1222 1 45 VAL MG2 1 47 ALA H 3.254 . 4.577 4.546 4.481 4.643 0.066 8 0 "[ . 1 . 2]" 1 1223 1 45 VAL MG2 1 47 ALA MB 3.116 . 4.329 4.335 4.207 4.448 0.119 19 0 "[ . 1 . 2]" 1 1224 1 45 VAL MG2 1 49 GLU HB2 3.280 . 4.625 4.974 4.880 5.071 0.446 15 0 "[ . 1 . 2]" 1 1225 1 45 VAL MG2 1 65 ILE MD 2.730 . 3.662 3.845 3.716 4.000 0.338 19 0 "[ . 1 . 2]" 1 1226 1 46 SER H 1 47 ALA H 2.485 . 3.257 2.427 2.377 2.485 . 0 0 "[ . 1 . 2]" 1 1227 1 46 SER H 1 47 ALA MB 3.104 . 4.309 4.068 3.999 4.130 . 0 0 "[ . 1 . 2]" 1 1228 1 46 SER H 1 48 PHE H 3.465 . 4.966 3.825 3.672 3.937 . 0 0 "[ . 1 . 2]" 1 1229 1 47 ALA H 1 47 ALA HA 2.513 . 3.303 2.867 2.839 2.906 . 0 0 "[ . 1 . 2]" 1 1230 1 47 ALA H 1 47 ALA MB 2.156 . 2.737 2.179 2.117 2.238 . 0 0 "[ . 1 . 2]" 1 1231 1 47 ALA H 1 48 PHE H 2.570 . 3.396 2.625 2.495 2.715 . 0 0 "[ . 1 . 2]" 1 1232 1 47 ALA HA 1 47 ALA MB 2.103 . 2.656 2.144 2.104 2.175 . 0 0 "[ . 1 . 2]" 1 1233 1 47 ALA HA 1 48 PHE H 3.068 . 4.244 3.577 3.466 3.624 . 0 0 "[ . 1 . 2]" 1 1234 1 47 ALA HA 1 50 THR H 2.892 . 3.937 3.169 3.067 3.265 . 0 0 "[ . 1 . 2]" 1 1235 1 47 ALA HA 1 50 THR HB 2.564 . 3.386 2.540 2.296 2.842 . 0 0 "[ . 1 . 2]" 1 1236 1 47 ALA HA 1 50 THR MG 2.752 . 3.699 3.829 3.614 4.076 0.377 12 0 "[ . 1 . 2]" 1 1237 1 47 ALA HA 1 51 PHE HD1 3.386 . 4.819 3.609 3.489 3.713 . 0 0 "[ . 1 . 2]" 1 1238 1 47 ALA MB 1 48 PHE H 2.539 . 3.345 2.729 2.635 2.787 . 0 0 "[ . 1 . 2]" 1 1239 1 47 ALA MB 1 50 THR H 3.141 . 4.374 4.388 4.319 4.503 0.129 9 0 "[ . 1 . 2]" 1 1240 1 47 ALA MB 1 50 THR HB 3.063 . 4.236 3.783 3.631 3.907 . 0 0 "[ . 1 . 2]" 1 1241 1 47 ALA MB 1 51 PHE HD1 2.842 . 3.852 2.649 2.455 2.840 . 0 0 "[ . 1 . 2]" 1 1242 1 47 ALA MB 1 51 PHE QE 3.382 . 4.812 2.790 2.451 3.204 . 0 0 "[ . 1 . 2]" 1 1243 1 48 PHE H 1 48 PHE HA 2.736 . 3.672 2.866 2.842 2.894 . 0 0 "[ . 1 . 2]" 1 1244 1 48 PHE H 1 48 PHE HB2 2.724 . 3.651 2.519 2.415 2.614 . 0 0 "[ . 1 . 2]" 1 1245 1 48 PHE H 1 48 PHE HB3 2.793 . 3.768 2.658 2.561 2.716 . 0 0 "[ . 1 . 2]" 1 1246 1 48 PHE H 1 49 GLU H 2.735 . 3.670 2.654 2.595 2.729 . 0 0 "[ . 1 . 2]" 1 1247 1 48 PHE H 1 50 THR H 3.284 . 4.632 3.967 3.881 4.127 . 0 0 "[ . 1 . 2]" 1 1248 1 48 PHE HA 1 48 PHE HB2 2.872 . 3.903 2.511 2.471 2.551 . 0 0 "[ . 1 . 2]" 1 1249 1 48 PHE HA 1 48 PHE HB3 2.817 . 3.809 3.031 3.001 3.086 . 0 0 "[ . 1 . 2]" 1 1250 1 48 PHE HA 1 48 PHE QD 2.730 . 3.662 2.881 2.751 3.010 . 0 0 "[ . 1 . 2]" 1 1251 1 48 PHE HA 1 49 GLU H 3.418 . 4.878 3.556 3.515 3.614 . 0 0 "[ . 1 . 2]" 1 1252 1 48 PHE HA 1 51 PHE HB2 3.198 . 4.477 3.242 2.640 4.074 . 0 0 "[ . 1 . 2]" 1 1253 1 48 PHE HB2 1 48 PHE QD 2.768 . 3.726 2.409 2.339 2.469 . 0 0 "[ . 1 . 2]" 1 1254 1 48 PHE HB2 1 49 GLU H 3.166 . 4.419 3.935 3.835 4.105 . 0 0 "[ . 1 . 2]" 1 1255 1 48 PHE HB2 1 63 LEU MD1 3.095 . 4.293 3.969 3.759 4.335 0.042 3 0 "[ . 1 . 2]" 1 1256 1 48 PHE HB3 1 48 PHE QD 2.837 . 3.843 2.440 2.390 2.510 . 0 0 "[ . 1 . 2]" 1 1257 1 48 PHE HB3 1 49 GLU H 3.150 . 4.390 2.760 2.642 2.969 . 0 0 "[ . 1 . 2]" 1 1258 1 48 PHE HB3 1 63 LEU MD1 3.091 . 4.286 4.099 3.874 4.345 0.059 3 0 "[ . 1 . 2]" 1 1259 1 48 PHE QD 1 49 GLU HA 3.309 . 4.678 3.455 3.297 3.922 . 0 0 "[ . 1 . 2]" 1 1260 1 48 PHE QD 1 61 ALA MB 3.353 . 4.758 4.721 4.429 5.036 0.278 19 0 "[ . 1 . 2]" 1 1261 1 48 PHE QD 1 63 LEU MD2 2.823 . 3.819 3.183 2.984 3.398 . 0 0 "[ . 1 . 2]" 1 1262 1 48 PHE HZ 1 61 ALA MB 2.474 . 3.239 2.410 2.169 2.755 . 0 0 "[ . 1 . 2]" 1 1263 1 48 PHE HZ 1 63 LEU MD2 3.365 . 4.781 3.561 3.020 3.817 . 0 0 "[ . 1 . 2]" 1 1264 1 49 GLU H 1 49 GLU HA 2.918 . 3.982 2.889 2.871 2.917 . 0 0 "[ . 1 . 2]" 1 1265 1 49 GLU H 1 49 GLU HB2 2.976 . 4.083 2.457 2.359 2.531 . 0 0 "[ . 1 . 2]" 1 1266 1 49 GLU H 1 49 GLU HB3 2.912 . 3.972 3.621 3.570 3.664 . 0 0 "[ . 1 . 2]" 1 1267 1 49 GLU H 1 49 GLU HG2 2.873 . 3.905 3.463 2.325 3.608 . 0 0 "[ . 1 . 2]" 1 1268 1 49 GLU H 1 49 GLU HG3 3.005 . 4.134 2.445 2.286 3.722 . 0 0 "[ . 1 . 2]" 1 1269 1 49 GLU H 1 50 THR H 2.717 . 3.639 2.536 2.468 2.617 . 0 0 "[ . 1 . 2]" 1 1270 1 49 GLU HA 1 49 GLU HB2 2.833 . 3.836 3.042 3.001 3.060 . 0 0 "[ . 1 . 2]" 1 1271 1 49 GLU HA 1 49 GLU HB3 2.851 . 3.867 2.501 2.451 2.563 . 0 0 "[ . 1 . 2]" 1 1272 1 49 GLU HA 1 49 GLU HG2 2.919 . 3.984 2.531 2.422 3.079 . 0 0 "[ . 1 . 2]" 1 1273 1 49 GLU HA 1 49 GLU HG3 2.721 . 3.647 3.115 2.970 3.754 0.107 13 0 "[ . 1 . 2]" 1 1274 1 49 GLU HB2 1 49 GLU HG2 2.685 . 3.586 3.001 2.493 3.081 . 0 0 "[ . 1 . 2]" 1 1275 1 49 GLU HB2 1 49 GLU HG3 2.527 . 3.325 2.450 2.398 2.504 . 0 0 "[ . 1 . 2]" 1 1276 1 49 GLU HB2 1 50 THR H 3.165 . 4.417 2.792 2.629 2.987 . 0 0 "[ . 1 . 2]" 1 1277 1 49 GLU HB3 1 49 GLU HG2 2.593 . 3.433 2.499 2.416 3.025 . 0 0 "[ . 1 . 2]" 1 1278 1 49 GLU HB3 1 49 GLU HG3 2.440 . 3.184 2.991 2.451 3.057 . 0 0 "[ . 1 . 2]" 1 1279 1 49 GLU HB3 1 50 THR H 3.138 . 4.369 3.777 3.624 3.888 . 0 0 "[ . 1 . 2]" 1 1280 1 49 GLU HG3 1 50 THR H 3.289 . 4.641 4.440 4.236 4.990 0.349 13 0 "[ . 1 . 2]" 1 1281 1 50 THR H 1 50 THR HA 2.573 . 3.400 2.864 2.835 2.898 . 0 0 "[ . 1 . 2]" 1 1282 1 50 THR H 1 50 THR HB 2.527 . 3.325 2.569 2.516 2.623 . 0 0 "[ . 1 . 2]" 1 1283 1 50 THR H 1 51 PHE H 2.573 . 3.400 2.715 2.612 2.841 . 0 0 "[ . 1 . 2]" 1 1284 1 50 THR HA 1 50 THR HB 2.311 . 2.979 3.052 3.014 3.119 0.140 7 0 "[ . 1 . 2]" 1 1285 1 50 THR HA 1 50 THR MG 2.015 . 2.522 2.365 2.286 2.447 . 0 0 "[ . 1 . 2]" 1 1286 1 50 THR HA 1 51 PHE H 3.187 . 4.457 3.597 3.537 3.649 . 0 0 "[ . 1 . 2]" 1 1287 1 50 THR HA 1 53 GLU HG2 3.106 . 4.312 4.056 3.653 4.409 0.097 18 0 "[ . 1 . 2]" 1 1288 1 50 THR HB 1 50 THR MG 2.011 . 2.517 2.126 2.079 2.170 . 0 0 "[ . 1 . 2]" 1 1289 1 50 THR HB 1 51 PHE H 2.854 . 3.872 2.556 2.503 2.646 . 0 0 "[ . 1 . 2]" 1 1290 1 50 THR HB 1 51 PHE HD1 3.449 . 4.936 3.341 3.199 3.506 . 0 0 "[ . 1 . 2]" 1 1291 1 50 THR MG 1 51 PHE H 2.938 . 4.017 3.537 3.458 3.594 . 0 0 "[ . 1 . 2]" 1 1292 1 50 THR MG 1 51 PHE HA 2.638 . 3.508 3.624 3.443 3.754 0.246 13 0 "[ . 1 . 2]" 1 1293 1 50 THR MG 1 51 PHE QE 3.392 . 4.830 4.160 3.951 4.445 . 0 0 "[ . 1 . 2]" 1 1294 1 51 PHE H 1 51 PHE HA 2.743 . 3.683 2.931 2.888 2.976 . 0 0 "[ . 1 . 2]" 1 1295 1 51 PHE H 1 51 PHE HB2 2.966 . 4.065 2.463 2.323 2.536 . 0 0 "[ . 1 . 2]" 1 1296 1 51 PHE H 1 51 PHE HB3 2.885 . 3.925 3.632 3.506 3.678 . 0 0 "[ . 1 . 2]" 1 1297 1 51 PHE H 1 52 ARG H 3.246 . 4.563 2.670 2.587 2.792 . 0 0 "[ . 1 . 2]" 1 1298 1 51 PHE HA 1 51 PHE HB2 2.507 . 3.293 3.016 2.954 3.071 . 0 0 "[ . 1 . 2]" 1 1299 1 51 PHE HA 1 51 PHE HB3 2.615 . 3.470 2.463 2.391 2.545 . 0 0 "[ . 1 . 2]" 1 1300 1 51 PHE HA 1 51 PHE HD2 2.519 . 3.312 2.719 2.620 2.881 . 0 0 "[ . 1 . 2]" 1 1301 1 51 PHE HA 1 54 GLU H 3.019 . 4.159 3.446 3.143 3.981 . 0 0 "[ . 1 . 2]" 1 1302 1 51 PHE HA 1 54 GLU HG2 2.852 . 3.869 2.661 2.346 3.070 . 0 0 "[ . 1 . 2]" 1 1303 1 51 PHE HA 1 54 GLU HG3 2.969 . 4.071 2.900 2.417 3.298 . 0 0 "[ . 1 . 2]" 1 1304 1 51 PHE HB2 1 51 PHE HD1 3.471 . 4.977 2.525 2.433 2.626 . 0 0 "[ . 1 . 2]" 1 1305 1 51 PHE HB2 1 51 PHE HD2 2.951 . 4.039 3.699 3.644 3.752 . 0 0 "[ . 1 . 2]" 1 1306 1 51 PHE HB3 1 51 PHE HD1 3.170 . 4.426 3.670 3.601 3.746 . 0 0 "[ . 1 . 2]" 1 1307 1 51 PHE HB3 1 51 PHE HD2 2.941 . 4.022 2.433 2.341 2.481 . 0 0 "[ . 1 . 2]" 1 1308 1 52 ARG H 1 53 GLU H 3.313 . 4.685 2.721 2.612 2.855 . 0 0 "[ . 1 . 2]" 1 1309 1 52 ARG HA 1 54 GLU H 3.241 . 4.554 3.796 3.599 3.978 . 0 0 "[ . 1 . 2]" 1 1310 1 53 GLU H 1 53 GLU HA 2.758 . 3.709 2.876 2.842 2.910 . 0 0 "[ . 1 . 2]" 1 1311 1 53 GLU H 1 53 GLU HB2 2.685 . 3.586 3.125 2.376 3.658 0.072 18 0 "[ . 1 . 2]" 1 1312 1 53 GLU H 1 53 GLU HB3 2.856 . 3.876 2.915 2.401 3.576 . 0 0 "[ . 1 . 2]" 1 1313 1 53 GLU H 1 53 GLU HG2 2.980 . 4.090 2.201 2.099 2.330 . 0 0 "[ . 1 . 2]" 1 1314 1 53 GLU H 1 53 GLU HG3 2.916 . 3.979 3.506 3.346 3.665 . 0 0 "[ . 1 . 2]" 1 1315 1 53 GLU H 1 54 GLU H 2.636 . 3.505 2.577 2.502 2.700 . 0 0 "[ . 1 . 2]" 1 1316 1 53 GLU HA 1 53 GLU HB2 2.377 . 3.083 2.643 2.333 3.071 . 0 0 "[ . 1 . 2]" 1 1317 1 53 GLU HA 1 53 GLU HB3 2.389 . 3.102 2.470 2.423 2.518 . 0 0 "[ . 1 . 2]" 1 1318 1 53 GLU HA 1 53 GLU HG2 2.783 . 3.751 3.532 3.058 3.826 0.075 14 0 "[ . 1 . 2]" 1 1319 1 53 GLU HA 1 54 GLU H 2.878 . 3.913 3.469 3.380 3.511 . 0 0 "[ . 1 . 2]" 1 1320 1 53 GLU HA 1 59 LYS HA 2.887 . 3.929 3.376 2.884 4.022 0.093 20 0 "[ . 1 . 2]" 1 1321 1 53 GLU HA 1 59 LYS HB2 3.028 . 4.174 3.435 2.702 4.871 0.697 11 1 "[ . 1+ . 2]" 1 1322 1 53 GLU HA 1 59 LYS HB3 3.202 . 5.000 4.639 3.745 5.129 0.129 20 0 "[ . 1 . 2]" 1 1323 1 53 GLU HA 1 59 LYS QD 2.701 . 5.000 3.104 2.397 4.187 . 0 0 "[ . 1 . 2]" 1 1324 1 53 GLU HA 1 59 LYS HG2 2.940 . 4.020 3.836 2.063 4.240 0.220 20 0 "[ . 1 . 2]" 1 1325 1 53 GLU HA 1 59 LYS HG3 3.038 . 4.192 2.288 1.952 3.663 . 0 0 "[ . 1 . 2]" 1 1326 1 53 GLU HB2 1 53 GLU HG2 2.283 . 2.934 2.770 2.393 3.055 0.121 1 0 "[ . 1 . 2]" 1 1327 1 53 GLU HB2 1 53 GLU HG3 2.315 . 2.985 2.424 2.355 2.489 . 0 0 "[ . 1 . 2]" 1 1328 1 53 GLU HB2 1 54 GLU H 3.017 . 4.154 3.667 2.901 4.163 0.009 18 0 "[ . 1 . 2]" 1 1329 1 53 GLU HB3 1 53 GLU HG2 2.270 . 2.914 2.666 2.374 3.053 0.139 20 0 "[ . 1 . 2]" 1 1330 1 53 GLU HB3 1 53 GLU HG3 2.267 . 2.910 2.775 2.379 3.037 0.127 2 0 "[ . 1 . 2]" 1 1331 1 53 GLU HB3 1 54 GLU H 2.969 . 4.071 4.051 3.891 4.211 0.140 18 0 "[ . 1 . 2]" 1 1332 1 53 GLU HG3 1 54 GLU HA 2.259 . 2.897 2.830 2.614 3.086 0.189 13 0 "[ . 1 . 2]" 1 1333 1 54 GLU H 1 54 GLU HA 2.460 . 3.217 2.856 2.832 2.903 . 0 0 "[ . 1 . 2]" 1 1334 1 54 GLU H 1 54 GLU HB2 2.589 . 3.427 2.427 2.336 2.514 . 0 0 "[ . 1 . 2]" 1 1335 1 54 GLU H 1 54 GLU HB3 2.680 . 3.578 3.571 3.515 3.614 0.036 1 0 "[ . 1 . 2]" 1 1336 1 54 GLU H 1 54 GLU HG2 2.583 . 3.417 2.220 2.054 2.466 . 0 0 "[ . 1 . 2]" 1 1337 1 54 GLU H 1 54 GLU HG3 2.660 . 3.544 3.497 3.238 3.635 0.091 9 0 "[ . 1 . 2]" 1 1338 1 54 GLU H 1 55 SER H 2.436 . 3.178 2.701 2.600 2.843 . 0 0 "[ . 1 . 2]" 1 1339 1 54 GLU HA 1 54 GLU HB2 2.462 . 3.220 3.019 2.973 3.048 . 0 0 "[ . 1 . 2]" 1 1340 1 54 GLU HA 1 54 GLU HB3 2.359 . 3.055 2.484 2.437 2.547 . 0 0 "[ . 1 . 2]" 1 1341 1 54 GLU HA 1 54 GLU HG2 2.419 . 3.150 2.942 2.697 3.194 0.044 19 0 "[ . 1 . 2]" 1 1342 1 54 GLU HA 1 55 SER H 2.889 . 3.932 3.488 3.423 3.554 . 0 0 "[ . 1 . 2]" 1 1343 1 54 GLU HB2 1 54 GLU HG2 2.243 . 2.872 2.508 2.387 2.631 . 0 0 "[ . 1 . 2]" 1 1344 1 54 GLU HB2 1 54 GLU HG3 2.284 . 2.936 2.353 2.223 2.457 . 0 0 "[ . 1 . 2]" 1 1345 1 54 GLU HB2 1 55 SER H 3.166 . 4.419 3.133 2.970 3.330 . 0 0 "[ . 1 . 2]" 1 1346 1 54 GLU HB3 1 54 GLU HG2 2.157 . 2.739 2.994 2.944 3.024 0.285 9 0 "[ . 1 . 2]" 1 1347 1 54 GLU HB3 1 54 GLU HG3 2.203 . 2.810 2.496 2.386 2.623 . 0 0 "[ . 1 . 2]" 1 1348 1 54 GLU HG2 1 55 SER H 3.214 . 4.505 4.544 4.387 4.741 0.236 3 0 "[ . 1 . 2]" 1 1349 1 55 SER H 1 55 SER QB 2.990 . 4.107 2.653 2.544 2.740 . 0 0 "[ . 1 . 2]" 1 1350 1 55 SER HA 1 55 SER QB 2.652 . 3.531 2.365 2.316 2.426 . 0 0 "[ . 1 . 2]" 1 1351 1 55 SER HA 1 56 LEU H 2.911 . 3.970 2.171 2.119 2.250 . 0 0 "[ . 1 . 2]" 1 1352 1 55 SER QB 1 58 CYS HB2 3.020 . 4.160 3.311 2.503 4.974 0.814 4 4 "[ +. * * . - 2]" 1 1353 1 56 LEU H 1 56 LEU HA 2.841 . 3.850 2.854 2.825 2.901 . 0 0 "[ . 1 . 2]" 1 1354 1 56 LEU H 1 56 LEU HB2 2.727 . 3.656 2.356 2.288 2.420 . 0 0 "[ . 1 . 2]" 1 1355 1 56 LEU H 1 56 LEU HB3 2.878 . 3.913 2.520 2.465 2.575 . 0 0 "[ . 1 . 2]" 1 1356 1 56 LEU H 1 56 LEU QD 3.157 . 4.402 3.707 3.671 3.738 . 0 0 "[ . 1 . 2]" 1 1357 1 56 LEU H 1 57 VAL H 2.957 . 4.050 2.564 2.442 2.679 . 0 0 "[ . 1 . 2]" 1 1358 1 56 LEU HA 1 56 LEU HB2 2.292 . 2.948 2.484 2.440 2.545 . 0 0 "[ . 1 . 2]" 1 1359 1 56 LEU HA 1 56 LEU HB3 2.278 . 2.927 3.026 2.980 3.076 0.149 13 0 "[ . 1 . 2]" 1 1360 1 56 LEU HA 1 56 LEU QD . . 2.316 2.165 2.085 2.237 . 0 0 "[ . 1 . 2]" 1 1361 1 56 LEU HA 1 57 VAL H 3.120 . 4.337 3.493 3.440 3.539 . 0 0 "[ . 1 . 2]" 1 1362 1 56 LEU HA 1 59 LYS HB2 3.041 . 4.197 2.676 2.361 3.595 . 0 0 "[ . 1 . 2]" 1 1363 1 56 LEU HA 1 59 LYS HB3 3.062 . 4.234 3.138 2.735 4.690 0.456 11 0 "[ . 1 . 2]" 1 1364 1 56 LEU HA 1 59 LYS QD 2.701 . 3.613 3.289 2.700 3.681 0.068 7 0 "[ . 1 . 2]" 1 1365 1 56 LEU HA 1 59 LYS QE 2.705 . 3.619 2.895 2.174 3.489 . 0 0 "[ . 1 . 2]" 1 1366 1 56 LEU QB 1 56 LEU QD 2.362 . 3.060 2.055 2.036 2.083 . 0 0 "[ . 1 . 2]" 1 1367 1 56 LEU HB2 1 56 LEU QD 2.160 . 2.743 2.304 2.248 2.343 . 0 0 "[ . 1 . 2]" 1 1368 1 56 LEU HB2 1 56 LEU HG 2.065 . 2.598 2.332 2.296 2.361 . 0 0 "[ . 1 . 2]" 1 1369 1 56 LEU HB2 1 57 VAL H 3.086 . 4.276 3.817 3.735 3.888 . 0 0 "[ . 1 . 2]" 1 1370 1 56 LEU HB2 1 57 VAL MG2 3.150 . 4.390 4.642 4.517 4.766 0.376 6 0 "[ . 1 . 2]" 1 1371 1 56 LEU HB2 1 59 LYS QE 3.093 . 5.000 4.384 3.066 5.205 0.205 16 0 "[ . 1 . 2]" 1 1372 1 56 LEU HB3 1 56 LEU QD 2.062 . 2.594 2.053 2.013 2.086 . 0 0 "[ . 1 . 2]" 1 1373 1 56 LEU HB3 1 56 LEU HG 2.090 . 2.636 2.423 2.370 2.477 . 0 0 "[ . 1 . 2]" 1 1374 1 56 LEU HB3 1 57 VAL H 3.043 . 4.200 2.686 2.625 2.773 . 0 0 "[ . 1 . 2]" 1 1375 1 56 LEU HB3 1 57 VAL MG2 2.624 . 3.485 3.268 3.146 3.423 . 0 0 "[ . 1 . 2]" 1 1376 1 56 LEU QD 1 56 LEU HG 2.018 . 2.521 1.892 1.854 1.912 . 0 0 "[ . 1 . 2]" 1 1377 1 56 LEU QD 1 57 VAL H 3.251 . 4.572 3.480 3.363 3.598 . 0 0 "[ . 1 . 2]" 1 1378 1 56 LEU QD 1 57 VAL MG2 2.989 . 4.106 3.464 3.217 3.657 . 0 0 "[ . 1 . 2]" 1 1379 1 56 LEU QD 1 59 LYS QD 2.556 . 5.000 3.243 2.311 3.894 . 0 0 "[ . 1 . 2]" 1 1380 1 56 LEU QD 1 59 LYS QE 2.570 . 3.395 2.407 2.047 3.089 . 0 0 "[ . 1 . 2]" 1 1381 1 57 VAL H 1 57 VAL HA 2.875 . 3.908 2.816 2.762 2.862 . 0 0 "[ . 1 . 2]" 1 1382 1 57 VAL H 1 57 VAL HB 2.741 . 3.680 2.523 2.456 2.594 . 0 0 "[ . 1 . 2]" 1 1383 1 57 VAL H 1 57 VAL MG1 2.731 . 3.663 3.767 3.704 3.814 0.151 19 0 "[ . 1 . 2]" 1 1384 1 57 VAL H 1 57 VAL MG2 2.455 . 3.209 2.000 1.936 2.116 . 0 0 "[ . 1 . 2]" 1 1385 1 57 VAL H 1 58 CYS H 2.827 . 3.826 2.810 2.679 2.980 . 0 0 "[ . 1 . 2]" 1 1386 1 57 VAL H 1 59 LYS H 3.331 . 4.718 4.070 3.941 4.270 . 0 0 "[ . 1 . 2]" 1 1387 1 57 VAL HA 1 57 VAL HB 2.428 . 3.165 3.062 3.002 3.122 . 0 0 "[ . 1 . 2]" 1 1388 1 57 VAL HA 1 57 VAL MG1 2.157 . 2.739 2.450 2.371 2.522 . 0 0 "[ . 1 . 2]" 1 1389 1 57 VAL HA 1 57 VAL MG2 2.118 . 2.679 2.405 2.348 2.509 . 0 0 "[ . 1 . 2]" 1 1390 1 57 VAL HB 1 57 VAL MG1 2.150 . 2.728 2.150 2.106 2.200 . 0 0 "[ . 1 . 2]" 1 1391 1 57 VAL HB 1 57 VAL MG2 2.088 . 2.633 2.147 2.112 2.167 . 0 0 "[ . 1 . 2]" 1 1392 1 57 VAL HB 1 58 CYS H 3.147 . 4.385 2.731 2.615 2.825 . 0 0 "[ . 1 . 2]" 1 1393 1 57 VAL MG1 1 57 VAL MG2 1.721 . 2.091 2.070 2.023 2.113 0.022 6 0 "[ . 1 . 2]" 1 1394 1 57 VAL MG1 1 58 CYS H 3.155 . 4.399 3.567 3.453 3.722 . 0 0 "[ . 1 . 2]" 1 1395 1 57 VAL MG2 1 58 CYS H 2.967 . 4.067 3.920 3.836 4.015 . 0 0 "[ . 1 . 2]" 1 1396 1 58 CYS H 1 58 CYS HA 2.983 . 4.096 2.986 2.946 3.017 . 0 0 "[ . 1 . 2]" 1 1397 1 58 CYS H 1 58 CYS HB2 3.157 . 4.402 2.738 2.412 3.727 . 0 0 "[ . 1 . 2]" 1 1398 1 58 CYS H 1 58 CYS HB3 3.252 . 4.574 3.467 2.643 3.718 . 0 0 "[ . 1 . 2]" 1 1399 1 58 CYS H 1 59 LYS H 2.696 . 3.604 2.381 2.264 2.497 . 0 0 "[ . 1 . 2]" 1 1400 1 58 CYS HA 1 58 CYS HB2 2.791 . 3.765 2.893 2.416 3.060 . 0 0 "[ . 1 . 2]" 1 1401 1 58 CYS HA 1 58 CYS HB3 2.670 . 3.561 2.518 2.430 3.032 . 0 0 "[ . 1 . 2]" 1 1402 1 58 CYS HA 1 59 LYS H 3.134 . 4.362 3.339 3.249 3.468 . 0 0 "[ . 1 . 2]" 1 1403 1 58 CYS HA 1 61 ALA MB 2.390 . 3.104 2.509 2.166 3.175 0.071 19 0 "[ . 1 . 2]" 1 1404 1 58 CYS HB2 1 61 ALA MB 3.220 . 5.000 4.075 2.917 5.155 0.155 19 0 "[ . 1 . 2]" 1 1405 1 58 CYS HB3 1 61 ALA MB 3.018 . 4.157 3.322 2.643 4.378 0.221 11 0 "[ . 1 . 2]" 1 1406 1 59 LYS H 1 59 LYS HA 2.849 . 3.863 2.826 2.788 2.856 . 0 0 "[ . 1 . 2]" 1 1407 1 59 LYS H 1 59 LYS HB2 2.855 . 3.874 2.369 2.274 2.637 . 0 0 "[ . 1 . 2]" 1 1408 1 59 LYS H 1 59 LYS HB3 2.798 . 3.777 2.658 2.492 3.686 . 0 0 "[ . 1 . 2]" 1 1409 1 59 LYS H 1 59 LYS QE 3.209 . 4.497 4.324 4.076 4.596 0.099 12 0 "[ . 1 . 2]" 1 1410 1 59 LYS H 1 59 LYS HG2 3.157 . 4.402 4.488 3.436 4.678 0.276 12 0 "[ . 1 . 2]" 1 1411 1 59 LYS H 1 60 ASP H 3.384 . 4.815 2.985 2.862 3.117 . 0 0 "[ . 1 . 2]" 1 1412 1 59 LYS HA 1 59 LYS HB2 2.759 . 3.711 2.494 2.414 3.028 . 0 0 "[ . 1 . 2]" 1 1413 1 59 LYS HA 1 59 LYS HB3 2.800 . 3.780 3.008 2.481 3.081 . 0 0 "[ . 1 . 2]" 1 1414 1 59 LYS HA 1 59 LYS QD 2.845 . 3.857 3.986 3.792 4.267 0.410 10 0 "[ . 1 . 2]" 1 1415 1 59 LYS HA 1 59 LYS HG2 3.220 . 4.516 3.101 2.502 3.378 . 0 0 "[ . 1 . 2]" 1 1416 1 59 LYS HB2 1 59 LYS QE 2.893 . 3.939 2.834 2.115 3.892 . 0 0 "[ . 1 . 2]" 1 1417 1 59 LYS HB2 1 59 LYS HG2 2.892 . 3.937 3.021 2.978 3.054 . 0 0 "[ . 1 . 2]" 1 1418 1 59 LYS HB2 1 59 LYS HG3 2.811 . 3.799 2.472 2.421 2.581 . 0 0 "[ . 1 . 2]" 1 1419 1 59 LYS HB3 1 59 LYS QE 2.878 . 3.913 2.420 2.071 3.852 . 0 0 "[ . 1 . 2]" 1 1420 1 59 LYS HB3 1 59 LYS HG2 2.938 . 4.017 2.446 2.337 2.504 . 0 0 "[ . 1 . 2]" 1 1421 1 59 LYS HB3 1 59 LYS HG3 2.819 . 3.812 3.025 2.953 3.075 . 0 0 "[ . 1 . 2]" 1 1422 1 59 LYS QD 1 59 LYS QE 1.945 . 2.418 1.867 1.829 1.897 . 0 0 "[ . 1 . 2]" 1 1423 1 59 LYS QD 1 59 LYS HG2 2.361 . 3.058 2.363 2.167 2.457 . 0 0 "[ . 1 . 2]" 1 1424 1 59 LYS QD 1 59 LYS QG 2.288 . 2.942 2.026 1.996 2.103 . 0 0 "[ . 1 . 2]" 1 1425 1 59 LYS QD 1 59 LYS HG3 2.225 . 2.844 2.222 2.137 2.396 . 0 0 "[ . 1 . 2]" 1 1426 1 59 LYS QE 1 59 LYS HG2 2.467 . 3.227 2.699 2.317 3.367 0.140 10 0 "[ . 1 . 2]" 1 1427 1 59 LYS QE 1 59 LYS HG3 2.411 . 3.138 3.141 2.302 3.582 0.444 6 0 "[ . 1 . 2]" 1 1428 1 61 ALA HA 1 61 ALA MB 2.008 . 2.512 2.146 2.120 2.170 . 0 0 "[ . 1 . 2]" 1 1429 1 62 ILE H 1 63 LEU H 3.366 . 4.782 4.493 4.390 4.626 . 0 0 "[ . 1 . 2]" 1 1430 1 62 ILE HA 1 62 ILE HB 2.795 . 3.771 3.059 3.035 3.114 . 0 0 "[ . 1 . 2]" 1 1431 1 62 ILE HA 1 62 ILE HG12 2.730 . 3.662 2.661 2.594 2.739 . 0 0 "[ . 1 . 2]" 1 1432 1 62 ILE HA 1 62 ILE HG13 2.641 . 3.513 2.984 2.917 3.056 . 0 0 "[ . 1 . 2]" 1 1433 1 62 ILE HA 1 62 ILE MG 2.208 . 2.817 2.434 2.378 2.498 . 0 0 "[ . 1 . 2]" 1 1434 1 62 ILE HB 1 62 ILE MD 2.358 . 3.053 2.367 2.294 2.426 . 0 0 "[ . 1 . 2]" 1 1435 1 62 ILE HB 1 62 ILE HG12 2.713 . 3.633 3.037 2.989 3.068 . 0 0 "[ . 1 . 2]" 1 1436 1 62 ILE HB 1 62 ILE HG13 2.788 . 3.759 2.534 2.469 2.578 . 0 0 "[ . 1 . 2]" 1 1437 1 62 ILE HB 1 62 ILE MG 2.126 . 2.691 2.164 2.128 2.193 . 0 0 "[ . 1 . 2]" 1 1438 1 62 ILE MD 1 62 ILE HG12 2.175 . 2.767 2.163 2.125 2.220 . 0 0 "[ . 1 . 2]" 1 1439 1 62 ILE MD 1 62 ILE HG13 2.195 . 2.797 2.140 2.102 2.179 . 0 0 "[ . 1 . 2]" 1 1440 1 62 ILE MD 1 62 ILE MG 1.913 . 2.371 2.119 2.054 2.196 . 0 0 "[ . 1 . 2]" 1 1441 1 62 ILE HG12 1 62 ILE MG 2.358 . 3.053 2.364 2.283 2.424 . 0 0 "[ . 1 . 2]" 1 1442 1 62 ILE HG13 1 62 ILE MG 2.338 . 3.021 3.244 3.214 3.282 0.261 4 0 "[ . 1 . 2]" 1 1443 1 62 ILE MG 1 64 ASP HA 3.180 . 4.444 4.518 4.246 4.856 0.412 8 0 "[ . 1 . 2]" 1 1444 1 62 ILE MG 1 64 ASP HB2 3.188 . 5.500 3.643 2.916 5.090 . 0 0 "[ . 1 . 2]" 1 1445 1 63 LEU H 1 64 ASP H 3.264 . 4.596 4.513 4.442 4.578 . 0 0 "[ . 1 . 2]" 1 1446 1 63 LEU HA 1 63 LEU MD1 3.151 . 4.392 3.232 3.118 3.322 . 0 0 "[ . 1 . 2]" 1 1447 1 63 LEU HA 1 63 LEU MD2 2.397 . 3.115 2.234 2.163 2.319 . 0 0 "[ . 1 . 2]" 1 1448 1 63 LEU HB2 1 63 LEU MD1 2.848 . 3.862 3.226 3.167 3.284 . 0 0 "[ . 1 . 2]" 1 1449 1 63 LEU HB2 1 63 LEU MD2 2.896 . 3.944 2.402 2.331 2.491 . 0 0 "[ . 1 . 2]" 1 1450 1 63 LEU HB3 1 63 LEU MD1 2.599 . 3.443 2.327 2.217 2.406 . 0 0 "[ . 1 . 2]" 1 1451 1 63 LEU HB3 1 63 LEU MD2 2.743 . 3.684 3.236 3.208 3.296 . 0 0 "[ . 1 . 2]" 1 1452 1 63 LEU MD1 1 63 LEU MD2 2.109 . 2.665 2.080 2.015 2.117 . 0 0 "[ . 1 . 2]" 1 1453 1 63 LEU MD1 1 63 LEU HG 2.484 . 3.255 2.106 2.060 2.142 . 0 0 "[ . 1 . 2]" 1 1454 1 63 LEU MD1 1 65 ILE MD 2.390 . 3.104 2.783 2.544 3.009 . 0 0 "[ . 1 . 2]" 1 1455 1 63 LEU MD1 1 65 ILE HG13 3.158 . 4.405 2.261 2.124 2.419 . 0 0 "[ . 1 . 2]" 1 1456 1 63 LEU MD1 1 65 ILE MG 3.291 . 4.645 4.258 4.125 4.368 . 0 0 "[ . 1 . 2]" 1 1457 1 63 LEU MD2 1 63 LEU HG 2.356 . 3.050 2.140 2.112 2.171 . 0 0 "[ . 1 . 2]" 1 1458 1 63 LEU MD2 1 65 ILE HG12 3.217 . 4.511 4.068 3.688 4.451 . 0 0 "[ . 1 . 2]" 1 1459 1 63 LEU MD2 1 65 ILE HG13 3.058 . 4.227 4.140 3.744 4.505 0.278 18 0 "[ . 1 . 2]" 1 1460 1 64 ASP H 1 65 ILE H 3.279 . 4.623 4.286 4.161 4.506 . 0 0 "[ . 1 . 2]" 1 1461 1 64 ASP HA 1 64 ASP HB2 2.413 . 3.141 2.653 2.497 3.032 . 0 0 "[ . 1 . 2]" 1 1462 1 64 ASP HA 1 64 ASP HB3 2.322 . 2.996 2.885 2.473 3.042 0.046 11 0 "[ . 1 . 2]" 1 1463 1 64 ASP HB3 1 66 VAL MG2 3.046 . 4.206 4.080 3.649 4.327 0.121 15 0 "[ . 1 . 2]" 1 1464 1 65 ILE H 1 66 VAL H 3.317 . 4.693 4.482 4.315 4.611 . 0 0 "[ . 1 . 2]" 1 1465 1 65 ILE HA 1 65 ILE HG12 3.111 . 4.321 2.679 2.619 2.755 . 0 0 "[ . 1 . 2]" 1 1466 1 65 ILE HA 1 65 ILE HG13 3.041 . 4.197 3.033 2.982 3.095 . 0 0 "[ . 1 . 2]" 1 1467 1 65 ILE HA 1 65 ILE MG 2.392 . 3.107 2.375 2.300 2.477 . 0 0 "[ . 1 . 2]" 1 1468 1 65 ILE HB 1 65 ILE MD 2.438 . 3.181 2.409 2.316 2.480 . 0 0 "[ . 1 . 2]" 1 1469 1 65 ILE HB 1 65 ILE HG13 2.885 . 3.925 2.542 2.481 2.606 . 0 0 "[ . 1 . 2]" 1 1470 1 65 ILE HB 1 65 ILE MG 2.257 . 2.894 2.187 2.159 2.220 . 0 0 "[ . 1 . 2]" 1 1471 1 65 ILE MD 1 65 ILE HG12 2.249 . 2.881 2.155 2.093 2.192 . 0 0 "[ . 1 . 2]" 1 1472 1 65 ILE MD 1 65 ILE HG13 2.245 . 2.875 2.137 2.083 2.178 . 0 0 "[ . 1 . 2]" 1 1473 1 65 ILE MD 1 65 ILE MG 2.045 . 2.568 2.076 1.973 2.167 . 0 0 "[ . 1 . 2]" 1 1474 1 65 ILE HG12 1 65 ILE MG 2.726 . 3.655 2.405 2.334 2.475 . 0 0 "[ . 1 . 2]" 1 1475 1 65 ILE HG13 1 65 ILE MG 2.621 . 3.480 3.257 3.221 3.293 . 0 0 "[ . 1 . 2]" 1 1476 1 65 ILE MG 1 66 VAL HA 3.088 . 4.280 3.623 3.534 3.731 . 0 0 "[ . 1 . 2]" 1 1477 1 65 ILE MG 1 67 ASP HA 3.128 . 4.351 3.476 3.193 3.746 . 0 0 "[ . 1 . 2]" 1 1478 1 66 VAL H 1 67 ASP H 3.382 . 4.812 4.399 4.337 4.474 . 0 0 "[ . 1 . 2]" 1 1479 1 66 VAL HA 1 66 VAL HB 2.659 . 3.543 3.059 3.010 3.099 . 0 0 "[ . 1 . 2]" 1 1480 1 66 VAL HA 1 66 VAL MG1 2.145 . 2.720 2.425 2.379 2.469 . 0 0 "[ . 1 . 2]" 1 1481 1 66 VAL HA 1 66 VAL QG 2.039 . 2.559 2.149 2.097 2.182 . 0 0 "[ . 1 . 2]" 1 1482 1 66 VAL HA 1 66 VAL MG2 2.011 . 2.516 2.401 2.303 2.477 . 0 0 "[ . 1 . 2]" 1 1483 1 66 VAL HA 1 110 LEU MD1 3.087 . 4.278 3.765 3.552 4.047 . 0 0 "[ . 1 . 2]" 1 1484 1 66 VAL HB 1 66 VAL MG1 2.144 . 2.719 2.142 2.089 2.184 . 0 0 "[ . 1 . 2]" 1 1485 1 66 VAL HB 1 66 VAL QG 2.139 . 2.711 1.913 1.880 1.945 . 0 0 "[ . 1 . 2]" 1 1486 1 66 VAL HB 1 66 VAL MG2 2.185 . 2.782 2.153 2.111 2.186 . 0 0 "[ . 1 . 2]" 1 1487 1 66 VAL HB 1 110 LEU MD2 3.221 . 4.518 3.276 2.893 4.139 . 0 0 "[ . 1 . 2]" 1 1488 1 66 VAL HB 1 110 LEU MD1 2.500 . 3.281 2.263 2.071 2.391 . 0 0 "[ . 1 . 2]" 1 1489 1 66 VAL QG 1 110 LEU MD1 2.305 . 2.969 2.325 2.165 2.488 . 0 0 "[ . 1 . 2]" 1 1490 1 66 VAL QG 1 110 LEU MD2 2.939 . 4.018 4.043 3.797 4.230 0.212 19 0 "[ . 1 . 2]" 1 1491 1 66 VAL MG1 1 68 GLU HA 2.768 . 5.000 4.043 3.824 4.380 . 0 0 "[ . 1 . 2]" 1 1492 1 66 VAL MG1 1 68 GLU QB 3.153 . 5.000 4.500 4.160 5.165 0.165 5 0 "[ . 1 . 2]" 1 1493 1 66 VAL MG1 1 68 GLU HG2 2.677 . 3.573 3.014 2.706 3.884 0.311 5 0 "[ . 1 . 2]" 1 1494 1 66 VAL MG1 1 68 GLU HG3 2.618 . 5.000 3.056 2.494 4.048 . 0 0 "[ . 1 . 2]" 1 1495 1 66 VAL MG1 1 110 LEU MD1 2.271 . 2.916 2.774 2.580 2.923 0.007 15 0 "[ . 1 . 2]" 1 1496 1 66 VAL MG2 1 110 LEU MD1 2.156 . 2.737 2.506 2.280 2.807 0.070 19 0 "[ . 1 . 2]" 1 1497 1 67 ASP HA 1 67 ASP QB 2.500 . 3.281 2.410 2.352 2.460 . 0 0 "[ . 1 . 2]" 1 1498 1 68 GLU H 1 69 LYS H 3.262 . 4.592 4.499 4.443 4.566 . 0 0 "[ . 1 . 2]" 1 1499 1 68 GLU HA 1 68 GLU QB 2.556 . 3.372 2.361 2.312 2.398 . 0 0 "[ . 1 . 2]" 1 1500 1 68 GLU HA 1 68 GLU HG2 2.493 . 3.270 2.470 2.370 2.626 . 0 0 "[ . 1 . 2]" 1 1501 1 68 GLU HA 1 68 GLU HG3 2.514 . 3.304 3.175 3.118 3.268 . 0 0 "[ . 1 . 2]" 1 1502 1 68 GLU HA 1 69 LYS H 2.302 . 2.965 2.193 2.100 2.309 . 0 0 "[ . 1 . 2]" 1 1503 1 68 GLU QB 1 68 GLU HG2 2.652 . 3.531 2.366 2.323 2.415 . 0 0 "[ . 1 . 2]" 1 1504 1 68 GLU QB 1 69 LYS H 3.130 . 4.355 2.638 2.456 2.833 . 0 0 "[ . 1 . 2]" 1 1505 1 68 GLU HG2 1 69 LYS H 3.026 . 4.171 3.993 3.786 4.217 0.046 14 0 "[ . 1 . 2]" 1 1506 1 69 LYS H 1 69 LYS HA 2.806 . 3.790 2.940 2.876 3.004 . 0 0 "[ . 1 . 2]" 1 1507 1 69 LYS H 1 69 LYS HB2 2.772 . 3.733 2.290 2.191 2.437 . 0 0 "[ . 1 . 2]" 1 1508 1 69 LYS H 1 69 LYS HB3 2.979 . 4.088 3.558 3.477 3.645 . 0 0 "[ . 1 . 2]" 1 1509 1 69 LYS H 1 69 LYS QD 2.843 . 3.854 2.399 2.257 2.587 . 0 0 "[ . 1 . 2]" 1 1510 1 69 LYS H 1 69 LYS QG 2.689 . 3.593 3.583 3.490 3.672 0.079 10 0 "[ . 1 . 2]" 1 1511 1 69 LYS H 1 70 VAL H 3.223 . 4.522 4.577 4.511 4.619 0.097 19 0 "[ . 1 . 2]" 1 1512 1 69 LYS HA 1 69 LYS HB2 2.648 . 3.525 3.036 2.984 3.065 . 0 0 "[ . 1 . 2]" 1 1513 1 69 LYS HA 1 69 LYS HB3 2.612 . 3.465 2.587 2.498 2.683 . 0 0 "[ . 1 . 2]" 1 1514 1 69 LYS HA 1 69 LYS QD 2.331 . 3.010 2.825 2.575 3.156 0.146 5 0 "[ . 1 . 2]" 1 1515 1 69 LYS HA 1 69 LYS QE 3.192 . 4.465 4.239 3.829 4.662 0.197 6 0 "[ . 1 . 2]" 1 1516 1 69 LYS HA 1 69 LYS HG3 2.512 . 3.301 2.415 2.307 2.534 . 0 0 "[ . 1 . 2]" 1 1517 1 69 LYS HA 1 70 VAL H 2.252 . 2.886 2.173 2.061 2.265 . 0 0 "[ . 1 . 2]" 1 1518 1 69 LYS HA 1 70 VAL MG1 2.987 . 4.102 3.506 3.364 3.654 . 0 0 "[ . 1 . 2]" 1 1519 1 69 LYS HB2 1 69 LYS QD 2.537 . 3.342 2.573 2.437 2.988 . 0 0 "[ . 1 . 2]" 1 1520 1 69 LYS HB2 1 69 LYS HG2 2.534 . 3.337 2.529 2.441 2.583 . 0 0 "[ . 1 . 2]" 1 1521 1 69 LYS HB2 1 70 VAL H 3.208 . 4.494 4.026 3.884 4.139 . 0 0 "[ . 1 . 2]" 1 1522 1 69 LYS HB3 1 69 LYS QD 2.596 . 3.438 3.405 3.328 3.584 0.146 5 0 "[ . 1 . 2]" 1 1523 1 69 LYS HB3 1 69 LYS HG2 2.570 . 3.395 2.387 2.305 2.466 . 0 0 "[ . 1 . 2]" 1 1524 1 69 LYS HB3 1 69 LYS QG 2.641 . 3.513 2.161 2.122 2.211 . 0 0 "[ . 1 . 2]" 1 1525 1 69 LYS HB3 1 70 VAL H 2.897 . 3.946 2.802 2.570 2.940 . 0 0 "[ . 1 . 2]" 1 1526 1 69 LYS QD 1 69 LYS QE 2.107 . 2.662 2.071 1.992 2.143 . 0 0 "[ . 1 . 2]" 1 1527 1 69 LYS QD 1 69 LYS HE2 2.107 . 2.662 2.084 2.004 2.146 . 0 0 "[ . 1 . 2]" 1 1528 1 69 LYS QD 1 69 LYS HE3 2.156 . 2.737 2.348 2.217 2.401 . 0 0 "[ . 1 . 2]" 1 1529 1 69 LYS QD 1 69 LYS QG 2.047 . 2.571 1.826 1.799 1.848 . 0 0 "[ . 1 . 2]" 1 1530 1 69 LYS QD 1 69 LYS HG2 1.973 . 2.460 1.906 1.877 1.930 . 0 0 "[ . 1 . 2]" 1 1531 1 69 LYS HE3 1 69 LYS QG 2.865 . 3.891 2.178 2.054 2.432 . 0 0 "[ . 1 . 2]" 1 1532 1 69 LYS QG 1 70 VAL H 3.169 . 4.424 3.568 3.320 3.784 . 0 0 "[ . 1 . 2]" 1 1533 1 69 LYS HG3 1 70 VAL H 3.177 . 4.439 3.695 3.420 3.949 . 0 0 "[ . 1 . 2]" 1 1534 1 70 VAL H 1 70 VAL MG1 2.337 . 3.019 2.266 2.126 2.764 . 0 0 "[ . 1 . 2]" 1 1535 1 70 VAL H 1 70 VAL MG2 2.743 . 3.683 2.069 2.000 2.139 . 0 0 "[ . 1 . 2]" 1 1536 1 70 VAL H 1 71 GLU H 3.197 . 4.475 4.622 4.535 4.718 0.243 7 0 "[ . 1 . 2]" 1 1537 1 70 VAL HA 1 70 VAL HB 2.839 . 3.846 2.473 2.408 2.532 . 0 0 "[ . 1 . 2]" 1 1538 1 70 VAL HA 1 70 VAL MG1 2.195 . 2.797 2.332 2.240 2.410 . 0 0 "[ . 1 . 2]" 1 1539 1 70 VAL HA 1 70 VAL MG2 2.495 . 3.273 3.256 3.214 3.308 0.035 10 0 "[ . 1 . 2]" 1 1540 1 70 VAL HA 1 71 GLU H 2.492 . 3.268 2.279 2.180 2.360 . 0 0 "[ . 1 . 2]" 1 1541 1 70 VAL HA 1 104 GLY HA3 2.721 . 3.647 2.416 2.155 3.261 . 0 0 "[ . 1 . 2]" 1 1542 1 70 VAL HB 1 70 VAL MG1 2.125 . 2.689 2.133 2.103 2.170 . 0 0 "[ . 1 . 2]" 1 1543 1 70 VAL HB 1 70 VAL MG2 2.208 . 2.817 2.146 2.096 2.179 . 0 0 "[ . 1 . 2]" 1 1544 1 70 VAL HB 1 71 GLU HA 3.135 . 4.363 3.579 3.288 3.942 . 0 0 "[ . 1 . 2]" 1 1545 1 70 VAL MG1 1 70 VAL MG2 1.893 . 2.341 2.089 2.057 2.126 . 0 0 "[ . 1 . 2]" 1 1546 1 70 VAL MG1 1 71 GLU H 2.733 . 3.667 3.679 3.560 3.813 0.146 18 0 "[ . 1 . 2]" 1 1547 1 70 VAL MG1 1 72 LEU QD 2.858 . 3.879 3.826 3.587 4.182 0.303 18 0 "[ . 1 . 2]" 1 1548 1 70 VAL MG1 1 101 ILE MD 2.645 . 3.519 2.542 2.276 2.988 . 0 0 "[ . 1 . 2]" 1 1549 1 70 VAL MG1 1 101 ILE MG 2.534 . 3.337 2.554 2.314 2.833 . 0 0 "[ . 1 . 2]" 1 1550 1 70 VAL MG1 1 104 GLY HA3 2.757 . 3.707 2.363 2.011 2.771 . 0 0 "[ . 1 . 2]" 1 1551 1 70 VAL MG2 1 71 GLU HA 2.980 . 4.090 3.807 3.658 4.078 . 0 0 "[ . 1 . 2]" 1 1552 1 70 VAL MG2 1 72 LEU H 3.296 . 4.654 4.603 4.362 4.922 0.268 13 0 "[ . 1 . 2]" 1 1553 1 70 VAL MG2 1 72 LEU QD 2.277 . 2.925 2.529 1.959 2.885 . 0 0 "[ . 1 . 2]" 1 1554 1 70 VAL MG2 1 72 LEU HG 2.848 . 3.862 2.817 2.521 3.838 . 0 0 "[ . 1 . 2]" 1 1555 1 70 VAL MG2 1 83 PRO HD2 3.015 . 5.000 2.808 2.388 3.639 . 0 0 "[ . 1 . 2]" 1 1556 1 70 VAL MG2 1 83 PRO HD3 2.915 . 3.977 3.668 2.947 4.742 0.765 13 1 "[ . 1 + . 2]" 1 1557 1 70 VAL MG2 1 83 PRO HG2 2.981 . 4.092 2.939 2.578 3.336 . 0 0 "[ . 1 . 2]" 1 1558 1 70 VAL MG2 1 83 PRO HG3 2.705 . 3.619 2.963 2.535 3.628 0.009 13 0 "[ . 1 . 2]" 1 1559 1 70 VAL MG2 1 88 TYR QD 2.775 . 3.737 2.647 2.228 4.175 0.438 5 0 "[ . 1 . 2]" 1 1560 1 70 VAL MG2 1 88 TYR QE 2.706 . 3.621 2.631 2.183 3.468 . 0 0 "[ . 1 . 2]" 1 1561 1 70 VAL MG2 1 101 ILE HG12 3.015 . 4.151 3.444 2.798 4.007 . 0 0 "[ . 1 . 2]" 1 1562 1 71 GLU H 1 71 GLU HA 2.979 . 4.088 2.997 2.964 3.021 . 0 0 "[ . 1 . 2]" 1 1563 1 71 GLU H 1 71 GLU HB2 3.226 . 4.527 3.109 2.857 3.234 . 0 0 "[ . 1 . 2]" 1 1564 1 71 GLU H 1 71 GLU HB3 3.190 . 4.462 2.672 2.557 2.757 . 0 0 "[ . 1 . 2]" 1 1565 1 71 GLU H 1 72 LEU H 3.312 . 4.683 4.404 4.315 4.553 . 0 0 "[ . 1 . 2]" 1 1566 1 71 GLU H 1 101 ILE MG 2.916 . 3.979 2.786 2.552 3.085 . 0 0 "[ . 1 . 2]" 1 1567 1 71 GLU H 1 102 THR H 3.368 . 4.786 3.735 3.438 4.131 . 0 0 "[ . 1 . 2]" 1 1568 1 71 GLU H 1 103 GLN H 2.879 . 3.915 2.712 2.591 3.050 . 0 0 "[ . 1 . 2]" 1 1569 1 71 GLU HA 1 71 GLU HB2 2.621 . 3.480 2.509 2.435 2.571 . 0 0 "[ . 1 . 2]" 1 1570 1 71 GLU HA 1 71 GLU HB3 2.780 . 3.746 3.038 2.989 3.100 . 0 0 "[ . 1 . 2]" 1 1571 1 71 GLU HA 1 71 GLU HG2 2.662 . 3.548 3.075 2.982 3.159 . 0 0 "[ . 1 . 2]" 1 1572 1 71 GLU HA 1 71 GLU HG3 2.666 . 3.555 2.570 2.429 2.664 . 0 0 "[ . 1 . 2]" 1 1573 1 71 GLU HA 1 72 LEU H 2.368 . 3.069 2.273 2.179 2.378 . 0 0 "[ . 1 . 2]" 1 1574 1 71 GLU HA 1 82 LYS HA 2.593 . 3.433 2.245 2.015 2.595 . 0 0 "[ . 1 . 2]" 1 1575 1 71 GLU HA 1 82 LYS QD 3.244 . 4.559 4.015 3.469 4.592 0.033 10 0 "[ . 1 . 2]" 1 1576 1 71 GLU HA 1 82 LYS HG2 3.290 . 4.643 3.906 2.390 5.139 0.496 7 0 "[ . 1 . 2]" 1 1577 1 71 GLU HA 1 82 LYS HG3 2.977 . 4.085 2.984 2.376 4.149 0.064 20 0 "[ . 1 . 2]" 1 1578 1 71 GLU HA 1 83 PRO HD2 2.984 . 4.097 2.898 2.367 3.473 . 0 0 "[ . 1 . 2]" 1 1579 1 71 GLU HA 1 83 PRO HD3 2.869 . 3.898 3.465 3.013 3.939 0.041 15 0 "[ . 1 . 2]" 1 1580 1 71 GLU HB2 1 71 GLU HG2 2.608 . 3.458 3.029 2.974 3.076 . 0 0 "[ . 1 . 2]" 1 1581 1 71 GLU HB2 1 71 GLU HG3 2.532 . 3.333 2.453 2.403 2.518 . 0 0 "[ . 1 . 2]" 1 1582 1 71 GLU HB2 1 72 LEU H 3.262 . 4.592 4.176 4.074 4.291 . 0 0 "[ . 1 . 2]" 1 1583 1 71 GLU HB2 1 82 LYS QD 3.314 . 4.687 3.578 3.001 4.045 . 0 0 "[ . 1 . 2]" 1 1584 1 71 GLU HB2 1 82 LYS HE2 3.147 . 4.385 4.134 3.752 5.012 0.627 13 1 "[ . 1 + . 2]" 1 1585 1 71 GLU HB2 1 103 GLN HB2 3.182 . 5.000 3.142 2.511 5.104 0.104 6 0 "[ . 1 . 2]" 1 1586 1 71 GLU HB2 1 103 GLN HB3 3.253 . 4.575 3.926 2.238 4.522 . 0 0 "[ . 1 . 2]" 1 1587 1 71 GLU HB3 1 71 GLU HG2 2.486 . 3.259 2.459 2.406 2.518 . 0 0 "[ . 1 . 2]" 1 1588 1 71 GLU HB3 1 71 GLU HG3 2.500 . 3.281 3.018 2.984 3.046 . 0 0 "[ . 1 . 2]" 1 1589 1 71 GLU HB3 1 72 LEU H 3.142 . 4.376 3.969 3.880 4.050 . 0 0 "[ . 1 . 2]" 1 1590 1 71 GLU HB3 1 103 GLN HA 3.506 . 5.042 4.525 4.255 5.001 . 0 0 "[ . 1 . 2]" 1 1591 1 71 GLU HB3 1 103 GLN HB3 3.349 . 4.751 3.575 2.108 4.242 . 0 0 "[ . 1 . 2]" 1 1592 1 71 GLU HB3 1 103 GLN QG 2.677 . 5.000 2.967 2.058 4.301 . 0 0 "[ . 1 . 2]" 1 1593 1 71 GLU HG2 1 72 LEU H 2.838 . 3.845 2.647 2.470 2.754 . 0 0 "[ . 1 . 2]" 1 1594 1 71 GLU HG2 1 80 VAL MG1 2.428 . 3.165 2.409 2.193 2.707 . 0 0 "[ . 1 . 2]" 1 1595 1 71 GLU HG2 1 103 GLN QG 3.031 . 6.000 4.665 4.148 6.365 0.365 8 0 "[ . 1 . 2]" 1 1596 1 71 GLU HG3 1 72 LEU H 2.930 . 4.003 2.968 2.843 3.068 . 0 0 "[ . 1 . 2]" 1 1597 1 71 GLU HG3 1 80 VAL MG1 2.514 . 3.304 3.085 2.828 3.513 0.209 6 0 "[ . 1 . 2]" 1 1598 1 71 GLU HG3 1 81 PHE H 3.290 . 4.643 3.705 3.330 3.933 . 0 0 "[ . 1 . 2]" 1 1599 1 71 GLU HG3 1 82 LYS QD 3.198 . 4.477 3.164 2.181 4.785 0.308 10 0 "[ . 1 . 2]" 1 1600 1 72 LEU H 1 72 LEU HB2 3.280 . 4.624 2.623 2.539 2.683 . 0 0 "[ . 1 . 2]" 1 1601 1 72 LEU H 1 72 LEU HB3 3.047 . 4.208 3.774 3.723 3.827 . 0 0 "[ . 1 . 2]" 1 1602 1 72 LEU H 1 72 LEU QD 3.036 . 4.116 3.477 2.697 3.598 . 0 0 "[ . 1 . 2]" 1 1603 1 72 LEU H 1 72 LEU HG 3.083 . 4.271 3.099 2.949 4.348 0.077 13 0 "[ . 1 . 2]" 1 1604 1 72 LEU H 1 73 GLU H 3.269 . 4.605 4.455 4.409 4.512 . 0 0 "[ . 1 . 2]" 1 1605 1 72 LEU H 1 80 VAL MG1 3.303 . 4.667 3.632 3.342 3.805 . 0 0 "[ . 1 . 2]" 1 1606 1 72 LEU H 1 81 PHE H 2.742 . 3.682 3.169 3.015 3.394 . 0 0 "[ . 1 . 2]" 1 1607 1 72 LEU H 1 82 LYS HA 3.095 . 4.292 3.164 2.952 3.746 . 0 0 "[ . 1 . 2]" 1 1608 1 72 LEU H 1 83 PRO HD2 3.161 . 4.410 3.759 3.106 4.273 . 0 0 "[ . 1 . 2]" 1 1609 1 72 LEU HA 1 72 LEU HB2 2.799 . 3.779 3.035 3.003 3.061 . 0 0 "[ . 1 . 2]" 1 1610 1 72 LEU HA 1 72 LEU HB3 2.880 . 3.917 2.480 2.446 2.514 . 0 0 "[ . 1 . 2]" 1 1611 1 72 LEU HA 1 72 LEU QD . . 2.707 2.215 2.044 2.948 0.241 13 0 "[ . 1 . 2]" 1 1612 1 72 LEU HA 1 72 LEU HG 2.993 . 4.112 3.169 2.770 3.238 . 0 0 "[ . 1 . 2]" 1 1613 1 72 LEU HA 1 73 GLU H 2.390 . 3.104 2.135 2.056 2.220 . 0 0 "[ . 1 . 2]" 1 1614 1 72 LEU HA 1 101 ILE HA 2.482 . 3.252 2.530 2.138 2.717 . 0 0 "[ . 1 . 2]" 1 1615 1 72 LEU HA 1 101 ILE MG 3.002 . 4.128 3.993 3.787 4.309 0.181 15 0 "[ . 1 . 2]" 1 1616 1 72 LEU HA 1 102 THR H 2.862 . 3.886 2.934 2.650 3.182 . 0 0 "[ . 1 . 2]" 1 1617 1 72 LEU HA 1 102 THR MG 2.861 . 3.884 3.392 3.140 3.658 . 0 0 "[ . 1 . 2]" 1 1618 1 72 LEU HA 1 103 GLN H 3.259 . 4.587 4.657 4.306 5.036 0.449 16 0 "[ . 1 . 2]" 1 1619 1 72 LEU HB2 1 72 LEU QD 2.558 . 3.376 2.238 2.154 2.324 . 0 0 "[ . 1 . 2]" 1 1620 1 72 LEU HB2 1 73 GLU H 3.165 . 4.417 3.831 3.613 3.950 . 0 0 "[ . 1 . 2]" 1 1621 1 72 LEU HB2 1 80 VAL MG1 3.038 . 4.192 4.300 4.027 4.462 0.270 1 0 "[ . 1 . 2]" 1 1622 1 72 LEU HB2 1 81 PHE QD 3.449 . 5.500 3.746 3.147 4.474 . 0 0 "[ . 1 . 2]" 1 1623 1 72 LEU HB2 1 99 VAL HB 3.245 . 4.561 4.522 4.227 4.859 0.298 4 0 "[ . 1 . 2]" 1 1624 1 72 LEU HB3 1 72 LEU QD 2.730 . 3.470 2.114 2.057 2.219 . 0 0 "[ . 1 . 2]" 1 1625 1 72 LEU HB3 1 73 GLU H 3.267 . 4.602 2.718 2.362 2.905 . 0 0 "[ . 1 . 2]" 1 1626 1 72 LEU HB3 1 80 VAL MG1 3.278 . 4.622 3.799 3.444 4.056 . 0 0 "[ . 1 . 2]" 1 1627 1 72 LEU HB3 1 81 PHE QD 3.541 . 5.108 4.918 4.488 5.880 0.772 14 2 "[ . - 1 +. 2]" 1 1628 1 72 LEU HB3 1 99 VAL HB 3.328 . 4.712 2.952 2.622 3.255 . 0 0 "[ . 1 . 2]" 1 1629 1 72 LEU HB3 1 99 VAL MG1 3.076 . 4.259 3.895 3.485 4.205 . 0 0 "[ . 1 . 2]" 1 1630 1 72 LEU MD1 1 72 LEU MD2 1.889 . 2.335 2.087 2.021 2.136 . 0 0 "[ . 1 . 2]" 1 1631 1 72 LEU QD 1 73 GLU H 3.186 . 4.455 3.369 3.232 3.852 . 0 0 "[ . 1 . 2]" 1 1632 1 72 LEU QD 1 81 PHE QE 2.679 . 3.576 3.190 2.427 3.788 0.212 14 0 "[ . 1 . 2]" 1 1633 1 72 LEU QD 1 81 PHE HZ 2.935 . 4.012 2.924 2.432 3.725 . 0 0 "[ . 1 . 2]" 1 1634 1 72 LEU QD 1 83 PRO HB2 2.893 . 5.000 3.848 3.594 4.113 . 0 0 "[ . 1 . 2]" 1 1635 1 72 LEU QD 1 83 PRO HB3 2.944 . 4.027 2.904 2.344 3.590 . 0 0 "[ . 1 . 2]" 1 1636 1 72 LEU QD 1 83 PRO HD2 2.925 . 3.994 3.591 2.299 3.905 . 0 0 "[ . 1 . 2]" 1 1637 1 72 LEU QD 1 83 PRO HD3 3.079 . 4.264 2.716 2.447 3.132 . 0 0 "[ . 1 . 2]" 1 1638 1 72 LEU QD 1 83 PRO HG2 2.935 . 4.012 3.590 2.877 3.828 . 0 0 "[ . 1 . 2]" 1 1639 1 72 LEU QD 1 83 PRO HG3 3.097 . 3.438 2.248 2.099 2.416 . 0 0 "[ . 1 . 2]" 1 1640 1 72 LEU QD 1 88 TYR HA 3.100 . 3.363 2.723 2.186 3.380 0.017 5 0 "[ . 1 . 2]" 1 1641 1 72 LEU QD 1 88 TYR HB3 3.095 . 4.293 3.453 3.027 4.094 . 0 0 "[ . 1 . 2]" 1 1642 1 72 LEU QD 1 89 GLY H 3.097 . 4.296 2.249 1.892 3.132 0.006 13 0 "[ . 1 . 2]" 1 1643 1 72 LEU QD 1 89 GLY HA2 3.125 . 4.345 3.273 2.656 4.147 . 0 0 "[ . 1 . 2]" 1 1644 1 72 LEU QD 1 90 VAL H 2.811 . 3.799 3.192 2.753 3.901 0.102 5 0 "[ . 1 . 2]" 1 1645 1 72 LEU QD 1 91 CYS HA 3.245 . 4.561 3.958 3.654 4.379 . 0 0 "[ . 1 . 2]" 1 1646 1 72 LEU QD 1 99 VAL HB 2.631 . 3.836 3.180 2.876 3.469 . 0 0 "[ . 1 . 2]" 1 1647 1 72 LEU QD 1 99 VAL MG1 2.484 . 5.000 3.501 3.181 3.808 . 0 0 "[ . 1 . 2]" 1 1648 1 72 LEU QD 1 99 VAL MG2 2.273 . 2.919 2.272 1.987 2.671 . 0 0 "[ . 1 . 2]" 1 1649 1 72 LEU QD 1 100 ILE H 3.402 . 5.500 3.995 3.715 4.320 . 0 0 "[ . 1 . 2]" 1 1650 1 72 LEU QD 1 101 ILE H 2.872 . 5.000 4.063 3.676 4.814 . 0 0 "[ . 1 . 2]" 1 1651 1 72 LEU QD 1 101 ILE HA 2.109 . 5.000 2.310 2.013 3.128 . 0 0 "[ . 1 . 2]" 1 1652 1 72 LEU QD 1 101 ILE HG12 2.460 . 3.217 2.180 2.073 2.435 . 0 0 "[ . 1 . 2]" 1 1653 1 72 LEU QD 1 101 ILE HG13 2.462 . 5.000 2.996 2.801 3.553 . 0 0 "[ . 1 . 2]" 1 1654 1 72 LEU QD 1 101 ILE MG 2.341 . 3.026 2.929 2.720 3.273 0.247 15 0 "[ . 1 . 2]" 1 1655 1 72 LEU QD 1 102 THR H 2.771 . 5.000 3.702 3.362 4.154 . 0 0 "[ . 1 . 2]" 1 1656 1 72 LEU QD 1 102 THR MG 3.145 . 5.500 4.503 4.288 5.113 . 0 0 "[ . 1 . 2]" 1 1657 1 73 GLU H 1 73 GLU HB2 2.968 . 4.069 3.165 3.074 3.270 . 0 0 "[ . 1 . 2]" 1 1658 1 73 GLU H 1 73 GLU HB3 3.155 . 4.399 2.631 2.566 2.755 . 0 0 "[ . 1 . 2]" 1 1659 1 73 GLU H 1 74 CYS H 3.519 . 5.067 4.347 4.292 4.413 . 0 0 "[ . 1 . 2]" 1 1660 1 73 GLU H 1 99 VAL HB 3.180 . 4.444 3.554 3.401 3.748 . 0 0 "[ . 1 . 2]" 1 1661 1 73 GLU H 1 99 VAL MG1 3.247 . 4.565 4.793 4.586 4.982 0.417 13 0 "[ . 1 . 2]" 1 1662 1 73 GLU H 1 99 VAL MG2 3.314 . 4.687 4.471 4.279 4.712 0.025 2 0 "[ . 1 . 2]" 1 1663 1 73 GLU H 1 100 ILE H 2.657 . 3.540 2.854 2.667 3.067 . 0 0 "[ . 1 . 2]" 1 1664 1 73 GLU H 1 101 ILE HA 3.107 . 4.313 3.656 3.442 3.894 . 0 0 "[ . 1 . 2]" 1 1665 1 73 GLU H 1 102 THR H 3.250 . 4.570 4.001 3.846 4.302 . 0 0 "[ . 1 . 2]" 1 1666 1 73 GLU H 1 102 THR MG 2.668 . 3.558 2.982 2.788 3.167 . 0 0 "[ . 1 . 2]" 1 1667 1 73 GLU HA 1 73 GLU HB2 2.930 . 4.003 2.506 2.449 2.584 . 0 0 "[ . 1 . 2]" 1 1668 1 73 GLU HA 1 73 GLU HB3 2.800 . 3.780 3.049 3.014 3.075 . 0 0 "[ . 1 . 2]" 1 1669 1 73 GLU HA 1 73 GLU HG2 2.846 . 3.858 3.161 3.020 3.236 . 0 0 "[ . 1 . 2]" 1 1670 1 73 GLU HA 1 73 GLU HG3 2.734 . 3.669 2.702 2.579 2.819 . 0 0 "[ . 1 . 2]" 1 1671 1 73 GLU HA 1 74 CYS H 2.388 . 3.101 2.226 2.168 2.355 . 0 0 "[ . 1 . 2]" 1 1672 1 73 GLU HA 1 80 VAL HA 2.350 . 5.000 2.826 2.495 3.609 . 0 0 "[ . 1 . 2]" 1 1673 1 73 GLU HA 1 80 VAL MG1 2.558 . 3.376 3.138 2.633 3.626 0.250 20 0 "[ . 1 . 2]" 1 1674 1 73 GLU HA 1 80 VAL MG2 2.261 . 2.900 2.127 1.912 2.278 . 0 0 "[ . 1 . 2]" 1 1675 1 73 GLU HA 1 81 PHE H 2.921 . 5.000 4.174 3.859 5.019 0.019 7 0 "[ . 1 . 2]" 1 1676 1 73 GLU HA 1 81 PHE QD 3.205 . 5.500 4.432 3.941 5.524 0.024 7 0 "[ . 1 . 2]" 1 1677 1 73 GLU HA 1 102 THR MG 2.785 . 3.755 3.934 3.787 4.184 0.429 13 0 "[ . 1 . 2]" 1 1678 1 73 GLU QB 1 73 GLU HG3 2.953 . 4.043 2.373 2.328 2.426 . 0 0 "[ . 1 . 2]" 1 1679 1 73 GLU QB 1 102 THR MG 2.631 . 3.496 1.944 1.882 2.081 . 0 0 "[ . 1 . 2]" 1 1680 1 73 GLU HB2 1 73 GLU HG2 2.852 . 3.869 3.050 2.989 3.107 . 0 0 "[ . 1 . 2]" 1 1681 1 73 GLU HB2 1 73 GLU HG3 2.859 . 3.881 2.479 2.427 2.548 . 0 0 "[ . 1 . 2]" 1 1682 1 73 GLU HB2 1 74 CYS H 3.266 . 4.599 4.111 4.034 4.234 . 0 0 "[ . 1 . 2]" 1 1683 1 73 GLU HB2 1 100 ILE MD 2.930 . 4.003 3.928 3.578 4.215 0.212 12 0 "[ . 1 . 2]" 1 1684 1 73 GLU HB2 1 100 ILE HG12 3.165 . 4.417 4.372 4.056 4.551 0.134 12 0 "[ . 1 . 2]" 1 1685 1 73 GLU HB2 1 102 THR MG 2.488 . 3.262 2.057 1.971 2.218 . 0 0 "[ . 1 . 2]" 1 1686 1 73 GLU HB3 1 73 GLU HG2 2.797 . 3.775 2.472 2.426 2.529 . 0 0 "[ . 1 . 2]" 1 1687 1 73 GLU HB3 1 73 GLU HG3 2.829 . 3.830 3.032 2.996 3.079 . 0 0 "[ . 1 . 2]" 1 1688 1 73 GLU HB3 1 74 CYS H 3.299 . 4.660 3.962 3.844 4.075 . 0 0 "[ . 1 . 2]" 1 1689 1 73 GLU HB3 1 80 VAL MG2 2.042 . 2.563 2.108 2.058 2.143 . 0 0 "[ . 1 . 2]" 1 1690 1 73 GLU HB3 1 102 THR MG 2.519 . 3.312 2.406 2.228 2.580 . 0 0 "[ . 1 . 2]" 1 1691 1 73 GLU HG2 1 74 CYS H 3.071 . 4.250 2.689 2.489 2.836 . 0 0 "[ . 1 . 2]" 1 1692 1 73 GLU HG2 1 76 ASP HA 3.118 . 4.333 4.132 3.877 4.688 0.355 12 0 "[ . 1 . 2]" 1 1693 1 73 GLU HG2 1 80 VAL MG2 2.532 . 3.333 3.380 3.184 3.595 0.262 14 0 "[ . 1 . 2]" 1 1694 1 73 GLU HG3 1 74 CYS H 3.174 . 4.434 2.965 2.827 3.136 . 0 0 "[ . 1 . 2]" 1 1695 1 73 GLU HG3 1 80 VAL MG1 3.051 . 4.214 3.892 3.293 4.268 0.054 20 0 "[ . 1 . 2]" 1 1696 1 73 GLU HG3 1 80 VAL MG2 2.428 . 3.165 2.020 1.913 2.232 . 0 0 "[ . 1 . 2]" 1 1697 1 73 GLU HG3 1 102 THR MG 2.800 . 3.780 3.896 3.812 4.083 0.303 10 0 "[ . 1 . 2]" 1 1698 1 74 CYS H 1 74 CYS HB2 2.758 . 3.709 2.808 2.693 3.709 . 0 0 "[ . 1 . 2]" 1 1699 1 74 CYS H 1 74 CYS HB3 2.715 . 3.636 2.487 2.379 3.032 . 0 0 "[ . 1 . 2]" 1 1700 1 74 CYS H 1 75 LYS H 3.328 . 4.712 4.480 4.409 4.531 . 0 0 "[ . 1 . 2]" 1 1701 1 74 CYS H 1 79 HIS H 3.093 . 4.289 3.786 3.440 4.075 . 0 0 "[ . 1 . 2]" 1 1702 1 74 CYS H 1 80 VAL HA 3.048 . 5.000 4.246 3.895 5.099 0.099 14 0 "[ . 1 . 2]" 1 1703 1 74 CYS H 1 80 VAL MG2 2.926 . 3.996 3.215 2.548 3.495 . 0 0 "[ . 1 . 2]" 1 1704 1 74 CYS H 1 99 VAL MG1 3.159 . 4.407 4.311 3.980 4.558 0.151 19 0 "[ . 1 . 2]" 1 1705 1 74 CYS H 1 100 ILE H 3.344 . 4.742 4.851 4.669 4.974 0.232 10 0 "[ . 1 . 2]" 1 1706 1 74 CYS HA 1 74 CYS HB2 2.831 . 3.832 2.531 2.451 2.623 . 0 0 "[ . 1 . 2]" 1 1707 1 74 CYS HA 1 74 CYS HB3 2.997 . 4.120 3.024 2.431 3.097 . 0 0 "[ . 1 . 2]" 1 1708 1 74 CYS HA 1 75 LYS H 2.460 . 3.217 2.245 2.143 2.360 . 0 0 "[ . 1 . 2]" 1 1709 1 74 CYS HA 1 99 VAL HA 2.262 . 2.902 2.253 2.005 2.534 . 0 0 "[ . 1 . 2]" 1 1710 1 74 CYS HA 1 99 VAL HB 3.245 . 4.561 3.003 2.752 3.321 . 0 0 "[ . 1 . 2]" 1 1711 1 74 CYS HA 1 99 VAL MG1 2.343 . 3.029 2.089 1.973 2.312 . 0 0 "[ . 1 . 2]" 1 1712 1 74 CYS HA 1 99 VAL MG2 3.049 . 4.211 3.520 3.411 3.637 . 0 0 "[ . 1 . 2]" 1 1713 1 74 CYS HA 1 100 ILE H 2.926 . 3.996 3.420 3.189 3.702 . 0 0 "[ . 1 . 2]" 1 1714 1 74 CYS HA 1 100 ILE H 2.863 . 3.888 2.808 2.722 2.867 . 0 0 "[ . 1 . 2]" 1 1715 1 74 CYS HA 1 100 ILE HG12 3.247 . 4.565 3.627 3.519 3.751 . 0 0 "[ . 1 . 2]" 1 1716 1 74 CYS HB2 1 75 LYS H 3.202 . 4.483 4.194 2.805 4.374 . 0 0 "[ . 1 . 2]" 1 1717 1 74 CYS HB2 1 99 VAL MG1 2.852 . 3.869 2.738 2.359 3.053 . 0 0 "[ . 1 . 2]" 1 1718 1 74 CYS HB3 1 77 CYS H 3.208 . 4.494 3.668 3.230 5.230 0.736 17 1 "[ . 1 . + 2]" 1 1719 1 74 CYS HB3 1 79 HIS H 2.894 . 5.000 4.057 3.692 4.641 . 0 0 "[ . 1 . 2]" 1 1720 1 74 CYS HB3 1 99 VAL MG1 2.903 . 3.956 3.817 2.134 4.149 0.193 19 0 "[ . 1 . 2]" 1 1721 1 74 CYS SG 1 77 CYS SG 4.000 3.800 4.200 3.844 3.784 3.890 0.016 17 0 "[ . 1 . 2]" 1 1722 1 74 CYS SG 1 91 CYS SG 4.000 3.800 4.200 3.816 3.786 3.848 0.014 6 0 "[ . 1 . 2]" 1 1723 1 74 CYS SG 1 94 CYS SG 4.000 3.800 4.200 3.851 3.811 3.964 . 0 0 "[ . 1 . 2]" 1 1724 1 75 LYS H 1 75 LYS HA 2.625 . 3.486 2.889 2.854 2.924 . 0 0 "[ . 1 . 2]" 1 1725 1 75 LYS H 1 75 LYS HB2 2.748 . 3.692 2.501 2.432 2.564 . 0 0 "[ . 1 . 2]" 1 1726 1 75 LYS H 1 75 LYS HB3 2.780 . 3.746 3.629 3.544 3.674 . 0 0 "[ . 1 . 2]" 1 1727 1 75 LYS H 1 75 LYS QD 2.813 . 3.802 3.905 3.778 4.051 0.249 15 0 "[ . 1 . 2]" 1 1728 1 75 LYS H 1 75 LYS QG 2.699 . 3.601 2.285 2.177 2.412 . 0 0 "[ . 1 . 2]" 1 1729 1 75 LYS H 1 99 VAL HA 2.685 . 3.586 2.723 2.418 3.330 . 0 0 "[ . 1 . 2]" 1 1730 1 75 LYS H 1 99 VAL MG1 2.844 . 3.855 3.271 2.984 3.609 . 0 0 "[ . 1 . 2]" 1 1731 1 75 LYS H 1 100 ILE H 3.192 . 5.000 4.446 4.166 5.111 0.111 10 0 "[ . 1 . 2]" 1 1732 1 75 LYS HA 1 75 LYS HB2 2.618 . 3.475 3.042 2.963 3.123 . 0 0 "[ . 1 . 2]" 1 1733 1 75 LYS HA 1 75 LYS QB 2.564 . 3.386 2.369 2.283 2.421 . 0 0 "[ . 1 . 2]" 1 1734 1 75 LYS HA 1 75 LYS HB3 2.482 . 3.252 2.471 2.374 2.536 . 0 0 "[ . 1 . 2]" 1 1735 1 75 LYS HA 1 75 LYS HE2 2.824 . 5.000 4.169 3.861 4.403 . 0 0 "[ . 1 . 2]" 1 1736 1 75 LYS HA 1 75 LYS QG 2.519 . 3.312 2.314 2.242 2.389 . 0 0 "[ . 1 . 2]" 1 1737 1 75 LYS HA 1 76 ASP H 2.736 . 3.672 2.458 2.314 2.605 . 0 0 "[ . 1 . 2]" 1 1738 1 75 LYS QB 1 75 LYS QD 2.693 . 3.599 2.385 2.313 2.466 . 0 0 "[ . 1 . 2]" 1 1739 1 75 LYS HB2 1 75 LYS QD 2.652 . 3.531 2.549 2.449 2.660 . 0 0 "[ . 1 . 2]" 1 1740 1 75 LYS HB2 1 75 LYS HE2 2.973 . 4.077 3.282 3.138 3.379 . 0 0 "[ . 1 . 2]" 1 1741 1 75 LYS HB2 1 75 LYS HE3 3.118 . 4.333 4.264 4.178 4.334 0.001 18 0 "[ . 1 . 2]" 1 1742 1 75 LYS HB2 1 76 ASP H 3.177 . 4.439 3.912 3.758 4.072 . 0 0 "[ . 1 . 2]" 1 1743 1 75 LYS HB2 1 98 ASN HB2 3.110 . 5.000 3.788 3.285 4.634 . 0 0 "[ . 1 . 2]" 1 1744 1 75 LYS HB2 1 98 ASN HB3 2.987 . 5.000 3.702 2.892 5.258 0.258 10 0 "[ . 1 . 2]" 1 1745 1 75 LYS HB3 1 75 LYS QD 2.638 . 3.508 2.876 2.762 3.017 . 0 0 "[ . 1 . 2]" 1 1746 1 75 LYS HB3 1 75 LYS HE2 3.212 . 4.501 2.159 2.027 2.343 . 0 0 "[ . 1 . 2]" 1 1747 1 75 LYS HB3 1 75 LYS QG 2.593 . 3.433 2.407 2.361 2.453 . 0 0 "[ . 1 . 2]" 1 1748 1 75 LYS HB3 1 76 ASP H 3.236 . 4.545 2.815 2.659 3.037 . 0 0 "[ . 1 . 2]" 1 1749 1 75 LYS HB3 1 98 ASN HB2 3.192 . 5.500 5.268 4.865 5.905 0.405 6 0 "[ . 1 . 2]" 1 1750 1 75 LYS QD 1 75 LYS HE2 2.268 . 2.911 2.376 2.332 2.399 . 0 0 "[ . 1 . 2]" 1 1751 1 75 LYS QD 1 75 LYS HE3 2.240 . 2.867 2.342 2.297 2.385 . 0 0 "[ . 1 . 2]" 1 1752 1 75 LYS QD 1 75 LYS QG 2.037 . 2.556 2.010 1.977 2.037 . 0 0 "[ . 1 . 2]" 1 1753 1 75 LYS QD 1 98 ASN HB2 3.193 . 4.468 3.347 2.458 3.757 . 0 0 "[ . 1 . 2]" 1 1754 1 75 LYS QD 1 98 ASN HB3 3.053 . 4.218 2.305 2.015 3.879 . 0 0 "[ . 1 . 2]" 1 1755 1 75 LYS QD 1 100 ILE MG 2.347 . 5.000 3.043 2.487 4.176 . 0 0 "[ . 1 . 2]" 1 1756 1 75 LYS HE2 1 75 LYS QG 2.934 . 3.836 2.841 2.746 2.929 . 0 0 "[ . 1 . 2]" 1 1757 1 75 LYS HE3 1 75 LYS QG 2.948 . 3.908 2.369 2.287 2.462 . 0 0 "[ . 1 . 2]" 1 1758 1 75 LYS HE3 1 100 ILE MG 2.739 . 5.000 4.158 3.504 5.438 0.438 10 0 "[ . 1 . 2]" 1 1759 1 75 LYS QG 1 98 ASN HB2 3.290 . 4.643 4.204 3.505 4.581 . 0 0 "[ . 1 . 2]" 1 1760 1 75 LYS QG 1 98 ASN HB3 3.128 . 5.000 3.486 2.632 5.050 0.050 10 0 "[ . 1 . 2]" 1 1761 1 75 LYS QG 1 100 ILE MD 2.855 . 5.000 3.592 2.330 4.613 . 0 0 "[ . 1 . 2]" 1 1762 1 75 LYS QG 1 100 ILE HG12 3.169 . 5.000 3.949 3.385 5.217 0.217 15 0 "[ . 1 . 2]" 1 1763 1 75 LYS QG 1 100 ILE MG 2.550 . 5.000 2.728 2.374 3.704 . 0 0 "[ . 1 . 2]" 1 1764 1 76 ASP H 1 76 ASP HA 2.610 . 3.462 2.616 2.524 2.731 . 0 0 "[ . 1 . 2]" 1 1765 1 76 ASP H 1 76 ASP HB2 2.652 . 3.531 3.155 2.629 3.616 0.085 17 0 "[ . 1 . 2]" 1 1766 1 76 ASP H 1 76 ASP HB3 2.617 . 3.473 3.020 2.295 3.703 0.230 4 0 "[ . 1 . 2]" 1 1767 1 76 ASP HA 1 76 ASP HB2 2.624 . 3.485 2.729 2.336 3.116 . 0 0 "[ . 1 . 2]" 1 1768 1 76 ASP HA 1 76 ASP HB3 2.570 . 3.395 2.439 2.212 2.626 . 0 0 "[ . 1 . 2]" 1 1769 1 76 ASP HA 1 77 CYS H 3.119 . 4.335 1.833 1.637 1.951 0.266 13 0 "[ . 1 . 2]" 1 1770 1 76 ASP HB2 1 77 CYS H 3.072 . 4.252 3.985 3.531 4.396 0.144 1 0 "[ . 1 . 2]" 1 1771 1 76 ASP HB3 1 77 CYS H 3.069 . 4.246 3.915 3.617 4.255 0.009 10 0 "[ . 1 . 2]" 1 1772 1 77 CYS H 1 77 CYS HA 2.761 . 3.714 2.923 2.867 2.985 . 0 0 "[ . 1 . 2]" 1 1773 1 77 CYS H 1 77 CYS HB2 3.048 . 4.209 3.398 3.271 3.924 . 0 0 "[ . 1 . 2]" 1 1774 1 77 CYS H 1 77 CYS HB3 3.211 . 4.500 2.702 2.558 3.467 . 0 0 "[ . 1 . 2]" 1 1775 1 77 CYS H 1 78 SER H 2.313 . 5.000 3.592 2.513 3.981 . 0 0 "[ . 1 . 2]" 1 1776 1 77 CYS H 1 78 SER HA 3.186 . 4.455 3.665 2.938 4.040 . 0 0 "[ . 1 . 2]" 1 1777 1 77 CYS H 1 79 HIS H 3.192 . 5.000 4.606 4.345 5.117 0.117 20 0 "[ . 1 . 2]" 1 1778 1 77 CYS HA 1 77 CYS HB2 2.408 . 3.133 2.508 2.411 2.597 . 0 0 "[ . 1 . 2]" 1 1779 1 77 CYS HA 1 77 CYS HB3 2.349 . 3.038 3.016 2.442 3.084 0.046 5 0 "[ . 1 . 2]" 1 1780 1 77 CYS HA 1 78 SER H 2.930 . 4.003 2.466 2.341 2.603 . 0 0 "[ . 1 . 2]" 1 1781 1 77 CYS SG 1 91 CYS SG 4.000 3.800 4.200 3.833 3.787 3.878 0.013 6 0 "[ . 1 . 2]" 1 1782 1 77 CYS SG 1 94 CYS SG 4.000 3.800 4.200 3.822 3.761 3.863 0.039 20 0 "[ . 1 . 2]" 1 1783 1 78 SER H 1 78 SER HA 2.440 . 3.184 2.913 2.766 2.985 . 0 0 "[ . 1 . 2]" 1 1784 1 78 SER HA 1 78 SER HB2 2.570 . 3.395 2.627 2.396 3.055 . 0 0 "[ . 1 . 2]" 1 1785 1 78 SER HA 1 78 SER HB3 2.572 . 3.399 2.830 2.378 3.095 . 0 0 "[ . 1 . 2]" 1 1786 1 78 SER HA 1 79 HIS H 3.233 . 4.539 2.096 1.931 2.284 . 0 0 "[ . 1 . 2]" 1 1787 1 79 HIS H 1 79 HIS HA 2.701 . 3.613 2.882 2.754 3.016 . 0 0 "[ . 1 . 2]" 1 1788 1 79 HIS H 1 79 HIS HB2 2.716 . 3.638 3.289 2.735 3.932 0.294 17 0 "[ . 1 . 2]" 1 1789 1 79 HIS H 1 79 HIS HB3 2.640 . 3.511 3.264 3.008 3.916 0.405 18 0 "[ . 1 . 2]" 1 1790 1 79 HIS H 1 80 VAL H 3.087 . 4.278 2.600 2.307 2.834 . 0 0 "[ . 1 . 2]" 1 1791 1 79 HIS HA 1 79 HIS HB2 2.685 . 3.586 2.497 2.239 2.991 . 0 0 "[ . 1 . 2]" 1 1792 1 79 HIS HA 1 79 HIS HB3 2.575 . 3.404 2.800 2.465 3.024 . 0 0 "[ . 1 . 2]" 1 1793 1 79 HIS HA 1 79 HIS HD2 3.364 . 4.778 4.151 3.010 4.626 . 0 0 "[ . 1 . 2]" 1 1794 1 79 HIS HA 1 80 VAL MG2 3.106 . 4.312 4.543 4.343 4.664 0.352 2 0 "[ . 1 . 2]" 1 1795 1 79 HIS HB2 1 79 HIS HD2 2.930 . 4.003 3.517 2.544 3.967 . 0 0 "[ . 1 . 2]" 1 1796 1 79 HIS HB2 1 80 VAL H 3.239 . 4.550 4.672 4.298 4.870 0.320 3 0 "[ . 1 . 2]" 1 1797 1 79 HIS HB2 1 93 LYS QB 3.331 . 4.718 2.933 2.069 4.914 0.196 12 0 "[ . 1 . 2]" 1 1798 1 79 HIS HB3 1 79 HIS HD2 3.178 . 4.441 3.015 2.692 3.787 . 0 0 "[ . 1 . 2]" 1 1799 1 79 HIS HB3 1 80 VAL H 3.226 . 4.527 4.430 4.271 4.666 0.139 17 0 "[ . 1 . 2]" 1 1800 1 79 HIS HB3 1 93 LYS QB 3.452 . 4.941 3.144 2.082 4.209 . 0 0 "[ . 1 . 2]" 1 1801 1 79 HIS HB3 1 93 LYS QD 3.178 . 5.000 4.682 2.883 5.708 0.708 13 1 "[ . 1 + . 2]" 1 1802 1 79 HIS HD2 1 81 PHE QB 3.091 . 6.000 3.971 3.241 6.016 0.016 18 0 "[ . 1 . 2]" 1 1803 1 79 HIS HD2 1 81 PHE QD 2.836 . 6.000 3.251 2.379 6.273 0.273 18 0 "[ . 1 . 2]" 1 1804 1 79 HIS HD2 1 92 GLU HG2 2.929 . 5.500 2.722 1.952 5.095 . 0 0 "[ . 1 . 2]" 1 1805 1 79 HIS HD2 1 92 GLU HG3 2.821 . 5.000 3.693 2.892 5.817 0.817 12 1 "[ . 1 + . 2]" 1 1806 1 79 HIS HD2 1 93 LYS QB 2.906 . 5.000 3.492 2.635 4.662 . 0 0 "[ . 1 . 2]" 1 1807 1 80 VAL H 1 80 VAL HA 2.869 . 3.898 2.845 2.778 2.897 . 0 0 "[ . 1 . 2]" 1 1808 1 80 VAL H 1 80 VAL HB 2.416 . 3.146 2.542 2.480 2.661 . 0 0 "[ . 1 . 2]" 1 1809 1 80 VAL H 1 80 VAL MG1 2.727 . 3.656 3.789 3.727 3.897 0.241 1 0 "[ . 1 . 2]" 1 1810 1 80 VAL H 1 80 VAL MG2 2.503 . 3.286 2.028 1.834 2.128 . 0 0 "[ . 1 . 2]" 1 1811 1 80 VAL H 1 81 PHE H 3.134 . 4.362 4.571 4.499 4.632 0.270 16 0 "[ . 1 . 2]" 1 1812 1 80 VAL HA 1 80 VAL HB 2.618 . 3.475 3.064 2.983 3.115 . 0 0 "[ . 1 . 2]" 1 1813 1 80 VAL HA 1 80 VAL MG1 2.101 . 2.653 2.477 2.427 2.551 . 0 0 "[ . 1 . 2]" 1 1814 1 80 VAL HA 1 80 VAL MG2 2.059 . 2.589 2.357 2.279 2.418 . 0 0 "[ . 1 . 2]" 1 1815 1 80 VAL HA 1 81 PHE H 2.247 . 2.878 2.068 1.985 2.146 . 0 0 "[ . 1 . 2]" 1 1816 1 80 VAL HA 1 81 PHE QD 2.761 . 3.714 2.644 2.448 2.815 . 0 0 "[ . 1 . 2]" 1 1817 1 80 VAL HA 1 81 PHE QE 3.503 . 5.037 4.439 4.110 4.683 . 0 0 "[ . 1 . 2]" 1 1818 1 80 VAL HB 1 80 VAL MG1 1.988 . 2.482 2.148 2.092 2.183 . 0 0 "[ . 1 . 2]" 1 1819 1 80 VAL HB 1 80 VAL MG2 1.981 . 2.472 2.120 2.070 2.155 . 0 0 "[ . 1 . 2]" 1 1820 1 80 VAL HB 1 81 PHE H 3.197 . 4.475 4.091 4.028 4.179 . 0 0 "[ . 1 . 2]" 1 1821 1 80 VAL MG1 1 80 VAL MG2 1.743 . 2.123 2.061 2.014 2.095 . 0 0 "[ . 1 . 2]" 1 1822 1 80 VAL MG1 1 81 PHE H 2.333 . 3.014 2.578 2.508 2.691 . 0 0 "[ . 1 . 2]" 1 1823 1 80 VAL MG1 1 81 PHE QD 3.181 . 4.446 4.145 3.936 4.312 . 0 0 "[ . 1 . 2]" 1 1824 1 80 VAL MG1 1 102 THR MG 2.596 . 3.438 3.099 2.631 3.726 0.288 10 0 "[ . 1 . 2]" 1 1825 1 80 VAL MG2 1 81 PHE QD 3.209 . 4.496 4.542 4.328 4.713 0.217 9 0 "[ . 1 . 2]" 1 1826 1 80 VAL MG2 1 102 THR MG 2.542 . 5.000 3.431 3.077 4.177 . 0 0 "[ . 1 . 2]" 1 1827 1 81 PHE H 1 81 PHE HA 2.831 . 3.833 2.953 2.905 2.988 . 0 0 "[ . 1 . 2]" 1 1828 1 81 PHE H 1 81 PHE QB 3.228 . 4.530 3.081 3.009 3.149 . 0 0 "[ . 1 . 2]" 1 1829 1 81 PHE H 1 82 LYS H 3.126 . 4.348 4.414 4.313 4.494 0.146 15 0 "[ . 1 . 2]" 1 1830 1 81 PHE HA 1 81 PHE QB 2.290 . 2.946 2.211 2.187 2.253 . 0 0 "[ . 1 . 2]" 1 1831 1 81 PHE HA 1 82 LYS H 2.302 . 2.965 2.486 2.354 2.586 . 0 0 "[ . 1 . 2]" 1 1832 1 81 PHE QB 1 81 PHE QD 2.394 . 3.110 2.171 2.134 2.193 . 0 0 "[ . 1 . 2]" 1 1833 1 81 PHE QB 1 82 LYS H 2.579 . 3.411 2.471 2.324 2.727 . 0 0 "[ . 1 . 2]" 1 1834 1 81 PHE QD 1 83 PRO HA 2.621 . 3.480 3.006 2.671 3.378 . 0 0 "[ . 1 . 2]" 1 1835 1 81 PHE QD 1 83 PRO HB3 3.449 . 4.936 4.197 3.450 4.693 . 0 0 "[ . 1 . 2]" 1 1836 1 81 PHE QD 1 92 GLU HG2 3.501 . 5.033 3.922 3.311 5.809 0.776 10 1 "[ . + . 2]" 1 1837 1 81 PHE QD 1 92 GLU HG3 3.386 . 5.500 4.912 3.931 5.506 0.006 15 0 "[ . 1 . 2]" 1 1838 1 81 PHE QE 1 83 PRO HA 2.840 . 3.849 2.450 1.971 3.624 . 0 0 "[ . 1 . 2]" 1 1839 1 81 PHE QE 1 83 PRO HB2 3.364 . 4.778 3.905 3.784 4.110 . 0 0 "[ . 1 . 2]" 1 1840 1 81 PHE QE 1 83 PRO HB3 3.341 . 4.736 2.574 2.011 3.250 . 0 0 "[ . 1 . 2]" 1 1841 1 81 PHE QE 1 91 CYS HA 2.730 . 3.662 2.820 2.276 4.124 0.462 17 0 "[ . 1 . 2]" 1 1842 1 81 PHE QE 1 99 VAL MG1 2.921 . 5.000 4.240 3.445 5.185 0.185 7 0 "[ . 1 . 2]" 1 1843 1 81 PHE HZ 1 91 CYS HA 2.933 . 5.000 3.318 2.580 5.013 0.013 20 0 "[ . 1 . 2]" 1 1844 1 81 PHE HZ 1 99 VAL MG1 3.237 . 6.000 5.042 3.872 6.472 0.472 10 0 "[ . 1 . 2]" 1 1845 1 82 LYS H 1 82 LYS HA 2.821 . 3.816 2.999 2.964 3.031 . 0 0 "[ . 1 . 2]" 1 1846 1 82 LYS H 1 82 LYS QB 2.539 . 3.345 2.502 2.312 2.627 . 0 0 "[ . 1 . 2]" 1 1847 1 82 LYS HA 1 82 LYS QD 2.843 . 3.853 3.448 3.018 3.989 0.136 13 0 "[ . 1 . 2]" 1 1848 1 82 LYS HA 1 82 LYS HG2 2.910 . 3.969 3.378 2.560 3.832 . 0 0 "[ . 1 . 2]" 1 1849 1 82 LYS HA 1 82 LYS HG3 2.783 . 3.751 2.723 2.458 3.322 . 0 0 "[ . 1 . 2]" 1 1850 1 82 LYS HA 1 83 PRO HD2 2.693 . 3.599 2.245 2.105 2.413 . 0 0 "[ . 1 . 2]" 1 1851 1 82 LYS HA 1 83 PRO HD3 2.655 . 3.536 2.668 2.493 2.826 . 0 0 "[ . 1 . 2]" 1 1852 1 82 LYS HA 1 83 PRO HG3 3.231 . 4.536 4.649 4.575 4.732 0.196 5 0 "[ . 1 . 2]" 1 1853 1 82 LYS QB 1 82 LYS QD 2.369 . 3.070 2.267 2.012 2.438 . 0 0 "[ . 1 . 2]" 1 1854 1 82 LYS QB 1 82 LYS HG2 2.488 . 3.262 2.225 2.136 2.409 . 0 0 "[ . 1 . 2]" 1 1855 1 82 LYS QD 1 82 LYS HE2 2.250 . 2.883 2.329 2.166 2.432 . 0 0 "[ . 1 . 2]" 1 1856 1 82 LYS QD 1 82 LYS HG3 2.248 . 2.880 2.375 2.318 2.437 . 0 0 "[ . 1 . 2]" 1 1857 1 82 LYS HE2 1 82 LYS HG2 2.628 . 3.491 2.775 2.382 3.734 0.243 18 0 "[ . 1 . 2]" 1 1858 1 82 LYS HE2 1 82 LYS HG3 2.709 . 3.626 3.220 2.934 3.822 0.196 18 0 "[ . 1 . 2]" 1 1859 1 82 LYS HE3 1 82 LYS HG2 2.399 . 3.118 2.362 2.138 2.839 . 0 0 "[ . 1 . 2]" 1 1860 1 83 PRO HA 1 83 PRO HB2 2.558 . 3.376 2.731 2.690 2.772 . 0 0 "[ . 1 . 2]" 1 1861 1 83 PRO HA 1 83 PRO HB3 2.570 . 3.395 2.349 2.311 2.430 . 0 0 "[ . 1 . 2]" 1 1862 1 83 PRO HA 1 84 ASN H 3.165 . 4.417 2.297 2.151 2.395 . 0 0 "[ . 1 . 2]" 1 1863 1 83 PRO HB2 1 83 PRO HD2 3.214 . 4.506 4.092 4.043 4.136 . 0 0 "[ . 1 . 2]" 1 1864 1 83 PRO HB2 1 83 PRO HD3 3.200 . 4.480 3.857 3.780 3.912 . 0 0 "[ . 1 . 2]" 1 1865 1 83 PRO HB2 1 83 PRO HG3 2.792 . 3.766 2.623 2.540 2.664 . 0 0 "[ . 1 . 2]" 1 1866 1 83 PRO HB2 1 88 TYR QD 2.928 . 4.000 3.759 3.235 4.322 0.322 20 0 "[ . 1 . 2]" 1 1867 1 83 PRO HB2 1 88 TYR QE 3.114 . 4.326 3.688 2.889 4.110 . 0 0 "[ . 1 . 2]" 1 1868 1 83 PRO HB3 1 83 PRO HD2 3.330 . 4.716 3.779 3.709 3.823 . 0 0 "[ . 1 . 2]" 1 1869 1 83 PRO HB3 1 83 PRO HD3 3.130 . 4.355 2.790 2.710 2.870 . 0 0 "[ . 1 . 2]" 1 1870 1 83 PRO HB3 1 83 PRO HG2 2.877 . 3.911 3.007 2.963 3.058 . 0 0 "[ . 1 . 2]" 1 1871 1 83 PRO HB3 1 88 TYR QE 3.324 . 4.705 4.842 4.214 5.152 0.447 1 0 "[ . 1 . 2]" 1 1872 1 83 PRO HD2 1 83 PRO HG2 2.930 . 4.003 2.334 2.291 2.359 . 0 0 "[ . 1 . 2]" 1 1873 1 83 PRO HD2 1 83 PRO HG3 2.845 . 3.857 2.683 2.585 2.719 . 0 0 "[ . 1 . 2]" 1 1874 1 83 PRO HD3 1 83 PRO HG2 2.908 . 3.965 3.028 2.999 3.051 . 0 0 "[ . 1 . 2]" 1 1875 1 83 PRO HD3 1 83 PRO HG3 2.828 . 3.828 2.374 2.295 2.435 . 0 0 "[ . 1 . 2]" 1 1876 1 83 PRO HG2 1 88 TYR QD 3.077 . 4.261 2.957 2.257 3.940 . 0 0 "[ . 1 . 2]" 1 1877 1 83 PRO HG2 1 88 TYR QE 3.089 . 4.282 2.320 1.992 2.599 . 0 0 "[ . 1 . 2]" 1 1878 1 83 PRO HG3 1 88 TYR QD 2.947 . 4.033 2.649 2.196 3.234 . 0 0 "[ . 1 . 2]" 1 1879 1 83 PRO HG3 1 88 TYR QE 2.978 . 4.087 3.440 2.831 4.001 . 0 0 "[ . 1 . 2]" 1 1880 1 84 ASN H 1 84 ASN QB 2.839 . 3.847 2.538 2.369 3.028 . 0 0 "[ . 1 . 2]" 1 1881 1 84 ASN H 1 85 ALA H 3.353 . 4.759 2.309 2.021 2.565 . 0 0 "[ . 1 . 2]" 1 1882 1 84 ASN HA 1 84 ASN QB 1.860 . 2.292 2.366 2.151 2.445 0.153 18 0 "[ . 1 . 2]" 1 1883 1 84 ASN HA 1 85 ALA H 3.012 . 4.146 3.192 2.782 3.529 . 0 0 "[ . 1 . 2]" 1 1884 1 85 ALA H 1 85 ALA HA 2.801 . 3.782 2.966 2.914 3.014 . 0 0 "[ . 1 . 2]" 1 1885 1 85 ALA H 1 85 ALA MB 2.424 . 3.159 2.569 2.181 2.707 . 0 0 "[ . 1 . 2]" 1 1886 1 85 ALA HA 1 85 ALA MB 1.723 . 2.094 2.151 2.122 2.193 0.099 1 0 "[ . 1 . 2]" 1 1887 1 85 ALA HA 1 86 LEU H 2.470 . 3.232 2.478 2.272 3.046 . 0 0 "[ . 1 . 2]" 1 1888 1 85 ALA HA 1 86 LEU HA 3.114 . 4.326 4.303 4.210 4.442 0.116 12 0 "[ . 1 . 2]" 1 1889 1 85 ALA HA 1 86 LEU MD2 3.012 . 4.146 4.261 4.069 4.492 0.346 16 0 "[ . 1 . 2]" 1 1890 1 85 ALA HA 1 86 LEU HG 3.013 . 4.148 3.711 3.511 3.923 . 0 0 "[ . 1 . 2]" 1 1891 1 85 ALA HA 1 87 ASP H 2.990 . 4.107 4.030 3.898 4.148 0.041 3 0 "[ . 1 . 2]" 1 1892 1 85 ALA HA 1 88 TYR QE 3.282 . 5.500 4.747 4.336 5.631 0.131 6 0 "[ . 1 . 2]" 1 1893 1 85 ALA MB 1 86 LEU H 2.375 . 3.080 2.198 1.798 2.387 . 0 0 "[ . 1 . 2]" 1 1894 1 85 ALA MB 1 86 LEU HA 3.031 . 4.179 4.279 4.054 4.391 0.212 9 0 "[ . 1 . 2]" 1 1895 1 85 ALA MB 1 86 LEU HG 2.995 . 4.116 4.021 3.341 4.453 0.337 2 0 "[ . 1 . 2]" 1 1896 1 85 ALA MB 1 87 ASP H 2.490 . 3.265 2.500 2.310 2.699 . 0 0 "[ . 1 . 2]" 1 1897 1 86 LEU H 1 86 LEU HA 2.576 . 3.406 2.878 2.814 2.967 . 0 0 "[ . 1 . 2]" 1 1898 1 86 LEU H 1 86 LEU HB2 2.632 . 3.498 2.431 2.360 2.487 . 0 0 "[ . 1 . 2]" 1 1899 1 86 LEU H 1 86 LEU HB3 2.754 . 3.702 3.560 3.493 3.659 . 0 0 "[ . 1 . 2]" 1 1900 1 86 LEU H 1 86 LEU MD1 2.918 . 3.982 3.556 3.458 3.800 . 0 0 "[ . 1 . 2]" 1 1901 1 86 LEU H 1 86 LEU MD2 2.916 . 3.979 3.409 3.229 3.654 . 0 0 "[ . 1 . 2]" 1 1902 1 86 LEU H 1 86 LEU HG 2.685 . 3.586 2.266 2.118 2.642 . 0 0 "[ . 1 . 2]" 1 1903 1 86 LEU H 1 87 ASP H 2.494 . 3.272 2.768 2.470 2.956 . 0 0 "[ . 1 . 2]" 1 1904 1 86 LEU HA 1 86 LEU HB2 2.328 . 3.005 3.007 2.955 3.047 0.042 12 0 "[ . 1 . 2]" 1 1905 1 86 LEU HA 1 86 LEU HB3 2.210 . 2.821 2.430 2.371 2.465 . 0 0 "[ . 1 . 2]" 1 1906 1 86 LEU HA 1 86 LEU MD2 1.863 . 2.297 2.188 2.102 2.314 0.017 13 0 "[ . 1 . 2]" 1 1907 1 86 LEU HA 1 86 LEU HG 2.484 . 3.255 3.119 3.005 3.203 . 0 0 "[ . 1 . 2]" 1 1908 1 86 LEU HA 1 88 TYR H 3.133 . 4.360 3.188 2.979 3.373 . 0 0 "[ . 1 . 2]" 1 1909 1 86 LEU HA 1 88 TYR QD 3.050 . 4.213 2.512 2.110 3.488 . 0 0 "[ . 1 . 2]" 1 1910 1 86 LEU HA 1 88 TYR QE 2.735 . 3.670 2.721 2.220 3.301 . 0 0 "[ . 1 . 2]" 1 1911 1 86 LEU HB2 1 86 LEU MD1 2.157 . 2.738 2.298 2.224 2.358 . 0 0 "[ . 1 . 2]" 1 1912 1 86 LEU HB2 1 86 LEU HG 2.136 . 2.706 2.494 2.453 2.553 . 0 0 "[ . 1 . 2]" 1 1913 1 86 LEU HB2 1 87 ASP H 2.799 . 3.778 3.643 3.291 3.910 0.132 16 0 "[ . 1 . 2]" 1 1914 1 86 LEU HB2 1 87 ASP HA 3.331 . 4.718 4.548 4.334 4.709 . 0 0 "[ . 1 . 2]" 1 1915 1 86 LEU HB3 1 86 LEU MD1 2.077 . 2.616 2.386 2.316 2.452 . 0 0 "[ . 1 . 2]" 1 1916 1 86 LEU HB3 1 86 LEU MD2 2.314 . 2.983 2.360 2.277 2.437 . 0 0 "[ . 1 . 2]" 1 1917 1 86 LEU MD1 1 86 LEU MD2 1.650 . 1.991 2.081 2.037 2.131 0.140 2 0 "[ . 1 . 2]" 1 1918 1 86 LEU MD1 1 86 LEU HG 1.959 . 2.439 2.150 2.104 2.202 . 0 0 "[ . 1 . 2]" 1 1919 1 86 LEU MD2 1 86 LEU HG 1.933 . 2.400 2.147 2.125 2.188 . 0 0 "[ . 1 . 2]" 1 1920 1 86 LEU MD2 1 88 TYR QD 3.549 . 5.123 3.554 3.063 4.029 . 0 0 "[ . 1 . 2]" 1 1921 1 86 LEU MD2 1 88 TYR QE 2.874 . 3.907 2.676 2.183 3.512 . 0 0 "[ . 1 . 2]" 1 1922 1 87 ASP H 1 87 ASP HA 2.271 . 2.916 2.913 2.875 2.950 0.034 5 0 "[ . 1 . 2]" 1 1923 1 87 ASP H 1 87 ASP HB3 2.342 . 3.027 2.670 2.526 3.639 0.612 20 1 "[ . 1 . +]" 1 1924 1 87 ASP H 1 88 TYR H 2.432 . 3.171 2.967 2.785 3.278 0.107 20 0 "[ . 1 . 2]" 1 1925 1 87 ASP HA 1 87 ASP HB2 2.118 . 2.679 2.429 2.353 2.980 0.301 20 0 "[ . 1 . 2]" 1 1926 1 87 ASP HA 1 87 ASP HB3 2.095 . 2.644 2.468 2.416 2.512 . 0 0 "[ . 1 . 2]" 1 1927 1 87 ASP HB2 1 90 VAL MG2 3.248 . 4.567 2.985 2.481 3.506 . 0 0 "[ . 1 . 2]" 1 1928 1 87 ASP HB3 1 90 VAL MG2 3.269 . 4.605 4.228 2.266 4.747 0.142 6 0 "[ . 1 . 2]" 1 1929 1 88 TYR H 1 88 TYR HA 2.449 . 3.198 2.835 2.785 2.885 . 0 0 "[ . 1 . 2]" 1 1930 1 88 TYR H 1 88 TYR HB2 2.470 . 3.232 2.517 2.396 2.615 . 0 0 "[ . 1 . 2]" 1 1931 1 88 TYR HA 1 88 TYR HB2 2.321 . 2.994 3.037 2.974 3.090 0.096 7 0 "[ . 1 . 2]" 1 1932 1 88 TYR HA 1 88 TYR HB3 2.341 . 3.026 2.490 2.430 2.543 . 0 0 "[ . 1 . 2]" 1 1933 1 88 TYR HA 1 88 TYR QD 2.074 . 2.612 2.776 2.039 3.016 0.404 15 0 "[ . 1 . 2]" 1 1934 1 88 TYR HA 1 89 GLY H 2.614 . 3.468 2.256 2.198 2.324 . 0 0 "[ . 1 . 2]" 1 1935 1 88 TYR HA 1 90 VAL H 2.983 . 4.096 3.467 3.333 3.583 . 0 0 "[ . 1 . 2]" 1 1936 1 88 TYR HB2 1 88 TYR QD 2.295 . 2.954 2.379 2.306 2.579 . 0 0 "[ . 1 . 2]" 1 1937 1 88 TYR HB2 1 89 GLY H 3.180 . 4.444 3.935 3.792 4.011 . 0 0 "[ . 1 . 2]" 1 1938 1 88 TYR HB3 1 88 TYR QD 2.278 . 2.927 2.506 2.418 2.806 . 0 0 "[ . 1 . 2]" 1 1939 1 88 TYR HB3 1 89 GLY H 3.278 . 4.621 2.845 2.680 3.032 . 0 0 "[ . 1 . 2]" 1 1940 1 89 GLY H 1 89 GLY HA2 2.722 . 3.648 2.322 2.291 2.349 . 0 0 "[ . 1 . 2]" 1 1941 1 89 GLY H 1 90 VAL H 2.448 . 3.197 2.572 2.350 2.704 . 0 0 "[ . 1 . 2]" 1 1942 1 89 GLY H 1 90 VAL MG2 3.049 . 4.211 4.366 4.018 4.510 0.299 7 0 "[ . 1 . 2]" 1 1943 1 89 GLY H 1 99 VAL MG2 3.364 . 4.779 3.339 2.892 3.757 . 0 0 "[ . 1 . 2]" 1 1944 1 89 GLY HA2 1 90 VAL H 2.656 . 3.537 3.307 3.167 3.385 . 0 0 "[ . 1 . 2]" 1 1945 1 89 GLY HA2 1 90 VAL MG1 3.254 . 4.578 4.447 4.390 4.515 . 0 0 "[ . 1 . 2]" 1 1946 1 89 GLY HA2 1 99 VAL MG2 2.689 . 3.593 2.581 2.338 2.917 . 0 0 "[ . 1 . 2]" 1 1947 1 90 VAL H 1 90 VAL HA 2.470 . 3.232 2.967 2.939 2.998 . 0 0 "[ . 1 . 2]" 1 1948 1 90 VAL H 1 90 VAL MG1 2.338 . 3.021 3.106 2.986 3.260 0.239 1 0 "[ . 1 . 2]" 1 1949 1 90 VAL H 1 90 VAL MG2 2.074 . 2.612 2.359 2.237 2.473 . 0 0 "[ . 1 . 2]" 1 1950 1 90 VAL H 1 91 CYS H 3.063 . 4.236 4.375 4.319 4.491 0.255 2 0 "[ . 1 . 2]" 1 1951 1 90 VAL H 1 99 VAL MG1 3.057 . 4.225 4.182 3.876 4.501 0.276 4 0 "[ . 1 . 2]" 1 1952 1 90 VAL H 1 99 VAL MG2 2.719 . 3.643 3.180 3.030 3.537 . 0 0 "[ . 1 . 2]" 1 1953 1 90 VAL HA 1 90 VAL HB 2.272 . 2.917 2.485 2.420 2.518 . 0 0 "[ . 1 . 2]" 1 1954 1 90 VAL HA 1 90 VAL MG1 2.072 . 2.609 2.350 2.250 2.398 . 0 0 "[ . 1 . 2]" 1 1955 1 90 VAL HA 1 91 CYS H 2.255 . 2.891 2.360 2.269 2.442 . 0 0 "[ . 1 . 2]" 1 1956 1 90 VAL HA 1 97 LYS HA 2.334 . 5.000 2.996 2.593 3.902 . 0 0 "[ . 1 . 2]" 1 1957 1 90 VAL HA 1 99 VAL MG1 2.648 . 3.525 2.579 2.307 2.894 . 0 0 "[ . 1 . 2]" 1 1958 1 90 VAL HA 1 99 VAL MG2 2.426 . 3.162 2.815 2.443 3.114 . 0 0 "[ . 1 . 2]" 1 1959 1 90 VAL HB 1 90 VAL MG1 1.998 . 2.497 2.141 2.112 2.165 . 0 0 "[ . 1 . 2]" 1 1960 1 90 VAL HB 1 90 VAL MG2 2.039 . 2.559 2.140 2.105 2.175 . 0 0 "[ . 1 . 2]" 1 1961 1 90 VAL HB 1 91 CYS H 2.614 . 3.468 2.470 2.312 2.541 . 0 0 "[ . 1 . 2]" 1 1962 1 90 VAL HB 1 95 HIS HA 2.662 . 3.548 2.596 2.275 3.197 . 0 0 "[ . 1 . 2]" 1 1963 1 90 VAL HB 1 95 HIS HD2 3.499 . 5.029 4.090 3.689 4.532 . 0 0 "[ . 1 . 2]" 1 1964 1 90 VAL MG1 1 90 VAL MG2 1.715 . 2.083 2.093 2.051 2.137 0.054 9 0 "[ . 1 . 2]" 1 1965 1 90 VAL MG1 1 95 HIS HB3 2.833 . 3.836 3.441 3.057 4.065 0.229 17 0 "[ . 1 . 2]" 1 1966 1 90 VAL MG1 1 97 LYS HA 2.436 . 3.178 2.645 2.241 3.153 . 0 0 "[ . 1 . 2]" 1 1967 1 90 VAL MG1 1 97 LYS HB3 3.027 . 5.000 4.185 3.878 5.024 0.024 12 0 "[ . 1 . 2]" 1 1968 1 90 VAL MG1 1 97 LYS QD 2.755 . 5.000 3.927 3.476 4.921 . 0 0 "[ . 1 . 2]" 1 1969 1 90 VAL MG1 1 97 LYS HG2 2.599 . 5.000 2.477 2.067 3.514 . 0 0 "[ . 1 . 2]" 1 1970 1 90 VAL MG1 1 97 LYS QG 2.813 . 3.802 2.381 1.988 3.322 . 0 0 "[ . 1 . 2]" 1 1971 1 90 VAL MG1 1 97 LYS HG3 2.701 . 3.613 3.115 2.579 4.092 0.479 12 0 "[ . 1 . 2]" 1 1972 1 90 VAL MG2 1 91 CYS H 2.676 . 3.571 3.476 3.405 3.547 . 0 0 "[ . 1 . 2]" 1 1973 1 90 VAL MG2 1 92 GLU HA 3.076 . 4.259 4.026 3.498 4.379 0.120 20 0 "[ . 1 . 2]" 1 1974 1 90 VAL MG2 1 95 HIS HA 2.417 . 5.000 3.263 2.992 3.872 . 0 0 "[ . 1 . 2]" 1 1975 1 90 VAL MG2 1 95 HIS HB3 2.717 . 3.640 2.937 2.434 3.705 0.065 17 0 "[ . 1 . 2]" 1 1976 1 90 VAL MG2 1 95 HIS HD2 2.519 . 5.000 3.000 2.365 3.834 . 0 0 "[ . 1 . 2]" 1 1977 1 90 VAL MG2 1 99 VAL MG1 3.087 . 4.278 4.478 4.292 4.585 0.307 10 0 "[ . 1 . 2]" 1 1978 1 91 CYS H 1 91 CYS HA 2.859 . 3.880 2.935 2.883 2.982 . 0 0 "[ . 1 . 2]" 1 1979 1 91 CYS H 1 91 CYS HB2 2.853 . 3.871 2.534 2.397 2.649 . 0 0 "[ . 1 . 2]" 1 1980 1 91 CYS H 1 91 CYS HB3 2.933 . 4.008 2.487 2.356 3.552 . 0 0 "[ . 1 . 2]" 1 1981 1 91 CYS H 1 95 HIS HA 3.057 . 4.225 3.152 2.868 3.365 . 0 0 "[ . 1 . 2]" 1 1982 1 91 CYS H 1 96 SER H 2.834 . 3.838 3.480 3.244 3.985 0.147 14 0 "[ . 1 . 2]" 1 1983 1 91 CYS H 1 97 LYS HA 3.070 . 5.000 4.447 3.988 5.236 0.236 12 0 "[ . 1 . 2]" 1 1984 1 91 CYS H 1 99 VAL MG1 2.570 . 3.395 2.575 2.313 2.904 . 0 0 "[ . 1 . 2]" 1 1985 1 91 CYS H 1 99 VAL MG2 2.868 . 5.000 3.964 3.536 4.483 . 0 0 "[ . 1 . 2]" 1 1986 1 91 CYS HA 1 93 LYS H 3.298 . 4.657 4.126 3.904 4.522 . 0 0 "[ . 1 . 2]" 1 1987 1 91 CYS HA 1 99 VAL MG1 2.587 . 3.424 2.728 2.503 2.923 . 0 0 "[ . 1 . 2]" 1 1988 1 91 CYS HB2 1 99 VAL MG1 2.872 . 3.903 2.417 2.155 4.023 0.120 17 0 "[ . 1 . 2]" 1 1989 1 91 CYS HB3 1 94 CYS H 3.285 . 4.634 2.779 2.627 2.973 . 0 0 "[ . 1 . 2]" 1 1990 1 91 CYS HB3 1 95 HIS H 3.098 . 5.000 4.656 4.467 4.864 . 0 0 "[ . 1 . 2]" 1 1991 1 91 CYS HB3 1 96 SER H 2.852 . 3.869 3.039 2.742 3.586 . 0 0 "[ . 1 . 2]" 1 1992 1 91 CYS HB3 1 99 VAL MG1 3.005 . 4.134 3.581 3.359 3.968 . 0 0 "[ . 1 . 2]" 1 1993 1 91 CYS SG 1 94 CYS SG 4.000 3.800 4.200 3.812 3.776 3.853 0.024 17 0 "[ . 1 . 2]" 1 1994 1 92 GLU HA 1 92 GLU HB2 2.355 . 3.048 2.370 2.301 2.516 . 0 0 "[ . 1 . 2]" 1 1995 1 92 GLU HA 1 92 GLU HB3 2.350 . 3.040 2.519 2.402 3.027 . 0 0 "[ . 1 . 2]" 1 1996 1 92 GLU HA 1 92 GLU HG2 3.068 . 4.245 3.592 2.980 3.744 . 0 0 "[ . 1 . 2]" 1 1997 1 92 GLU HA 1 92 GLU HG3 2.709 . 3.626 3.237 2.572 4.076 0.450 12 0 "[ . 1 . 2]" 1 1998 1 92 GLU HA 1 95 HIS HD2 2.651 . 3.529 2.725 2.225 3.269 . 0 0 "[ . 1 . 2]" 1 1999 1 92 GLU HB2 1 92 GLU HG3 2.734 . 3.669 2.460 2.326 3.030 . 0 0 "[ . 1 . 2]" 1 2000 1 92 GLU HB2 1 93 LYS H 3.320 . 4.698 4.196 3.844 4.326 . 0 0 "[ . 1 . 2]" 1 2001 1 92 GLU HB2 1 95 HIS HD2 3.288 . 5.000 4.682 4.174 5.381 0.381 10 0 "[ . 1 . 2]" 1 2002 1 92 GLU HB3 1 92 GLU HG2 2.868 . 3.896 2.486 2.381 3.053 . 0 0 "[ . 1 . 2]" 1 2003 1 92 GLU HB3 1 92 GLU HG3 2.395 . 3.112 2.965 2.481 3.059 . 0 0 "[ . 1 . 2]" 1 2004 1 92 GLU HB3 1 93 LYS H 3.278 . 4.621 4.069 2.618 4.331 . 0 0 "[ . 1 . 2]" 1 2005 1 92 GLU HG3 1 93 LYS H 3.206 . 4.491 3.304 2.678 4.842 0.351 10 0 "[ . 1 . 2]" 1 2006 1 93 LYS H 1 93 LYS HA 2.455 . 3.209 2.905 2.837 2.983 . 0 0 "[ . 1 . 2]" 1 2007 1 93 LYS H 1 93 LYS QB 2.625 . 3.456 2.230 2.131 2.586 . 0 0 "[ . 1 . 2]" 1 2008 1 93 LYS H 1 93 LYS QD 3.427 . 4.895 4.165 4.006 4.350 . 0 0 "[ . 1 . 2]" 1 2009 1 93 LYS H 1 93 LYS HG2 3.215 . 4.507 4.461 3.738 4.630 0.123 6 0 "[ . 1 . 2]" 1 2010 1 93 LYS H 1 94 CYS H 2.417 . 3.147 2.288 2.211 2.448 . 0 0 "[ . 1 . 2]" 1 2011 1 93 LYS HA 1 93 LYS QB 2.327 . 2.994 2.381 2.322 2.428 . 0 0 "[ . 1 . 2]" 1 2012 1 93 LYS HA 1 93 LYS QD 2.770 . 3.741 2.317 2.050 3.920 0.179 12 0 "[ . 1 . 2]" 1 2013 1 93 LYS HA 1 93 LYS QE 3.023 . 4.166 4.058 3.902 4.424 0.258 12 0 "[ . 1 . 2]" 1 2014 1 93 LYS HA 1 93 LYS QG 2.480 . 3.249 2.828 2.201 3.011 . 0 0 "[ . 1 . 2]" 1 2015 1 93 LYS HA 1 93 LYS HG3 2.444 . 3.191 3.000 2.896 3.142 . 0 0 "[ . 1 . 2]" 1 2016 1 93 LYS HA 1 94 CYS H 2.845 . 3.857 3.399 3.327 3.473 . 0 0 "[ . 1 . 2]" 1 2017 1 93 LYS QB 1 93 LYS QD 2.865 . 3.593 2.266 2.174 2.340 . 0 0 "[ . 1 . 2]" 1 2018 1 93 LYS QB 1 93 LYS QE 2.748 . 3.692 3.592 3.517 3.681 . 0 0 "[ . 1 . 2]" 1 2019 1 93 LYS QB 1 93 LYS HG2 2.309 . 2.975 2.155 2.100 2.364 . 0 0 "[ . 1 . 2]" 1 2020 1 93 LYS QB 1 93 LYS HG3 2.522 . 3.165 2.366 2.334 2.398 . 0 0 "[ . 1 . 2]" 1 2021 1 93 LYS QB 1 94 CYS H 2.820 . 3.551 2.566 2.358 3.390 . 0 0 "[ . 1 . 2]" 1 2022 1 93 LYS QD 1 93 LYS QE 2.089 . 2.634 2.092 2.075 2.125 . 0 0 "[ . 1 . 2]" 1 2023 1 93 LYS QD 1 93 LYS HG2 2.450 . 3.175 2.318 2.273 2.362 . 0 0 "[ . 1 . 2]" 1 2024 1 93 LYS QD 1 93 LYS HG3 2.480 . 3.159 2.350 2.299 2.398 . 0 0 "[ . 1 . 2]" 1 2025 1 93 LYS QE 1 93 LYS HG2 2.126 . 2.691 2.346 2.290 2.426 . 0 0 "[ . 1 . 2]" 1 2026 1 93 LYS QE 1 93 LYS QG 2.220 . 2.836 2.092 2.048 2.140 . 0 0 "[ . 1 . 2]" 1 2027 1 93 LYS QE 1 93 LYS HG3 2.165 . 2.751 2.351 2.275 2.386 . 0 0 "[ . 1 . 2]" 1 2028 1 93 LYS HG3 1 94 CYS H 3.228 . 4.530 4.067 3.872 4.728 0.198 18 0 "[ . 1 . 2]" 1 2029 1 94 CYS H 1 94 CYS HA 2.767 . 3.724 2.947 2.912 2.976 . 0 0 "[ . 1 . 2]" 1 2030 1 94 CYS H 1 94 CYS HB2 3.020 . 4.160 3.839 3.613 3.987 . 0 0 "[ . 1 . 2]" 1 2031 1 94 CYS H 1 94 CYS HB3 3.033 . 4.183 3.255 3.152 3.351 . 0 0 "[ . 1 . 2]" 1 2032 1 94 CYS H 1 95 HIS HA 3.030 . 4.178 4.062 3.932 4.200 0.022 17 0 "[ . 1 . 2]" 1 2033 1 94 CYS H 1 96 SER H 3.069 . 4.246 4.189 3.985 4.708 0.462 17 0 "[ . 1 . 2]" 1 2034 1 94 CYS HA 1 94 CYS HB2 2.527 . 3.325 2.461 2.390 2.585 . 0 0 "[ . 1 . 2]" 1 2035 1 94 CYS HA 1 94 CYS HB3 2.524 . 3.320 2.562 2.482 2.611 . 0 0 "[ . 1 . 2]" 1 2036 1 94 CYS HA 1 95 HIS H 2.999 . 4.123 2.632 2.553 2.726 . 0 0 "[ . 1 . 2]" 1 2037 1 95 HIS H 1 96 SER H 2.601 . 3.446 2.588 2.375 2.709 . 0 0 "[ . 1 . 2]" 1 2038 1 95 HIS HA 1 95 HIS HB2 2.401 . 3.121 3.017 2.988 3.070 . 0 0 "[ . 1 . 2]" 1 2039 1 95 HIS HA 1 95 HIS HB3 2.346 . 3.034 2.426 2.356 2.505 . 0 0 "[ . 1 . 2]" 1 2040 1 95 HIS HA 1 95 HIS HD2 2.402 . 3.123 2.802 2.256 3.106 . 0 0 "[ . 1 . 2]" 1 2041 1 95 HIS HA 1 96 SER H 2.824 . 3.821 2.731 2.650 2.837 . 0 0 "[ . 1 . 2]" 1 2042 1 95 HIS HB2 1 95 HIS HD2 2.899 . 3.949 3.928 3.839 3.963 0.014 13 0 "[ . 1 . 2]" 1 2043 1 95 HIS HB2 1 96 SER H 3.470 . 4.975 4.204 4.107 4.312 . 0 0 "[ . 1 . 2]" 1 2044 1 95 HIS HB3 1 95 HIS HD2 2.849 . 3.864 3.021 2.788 3.548 . 0 0 "[ . 1 . 2]" 1 2045 1 96 SER H 1 96 SER HA 2.563 . 3.384 2.892 2.832 2.931 . 0 0 "[ . 1 . 2]" 1 2046 1 96 SER H 1 96 SER HB2 2.794 . 3.770 2.596 2.420 2.751 . 0 0 "[ . 1 . 2]" 1 2047 1 96 SER H 1 96 SER HB3 2.828 . 3.828 2.565 2.348 3.605 . 0 0 "[ . 1 . 2]" 1 2048 1 96 SER H 1 97 LYS H 3.117 . 4.331 4.581 4.510 4.653 0.322 14 0 "[ . 1 . 2]" 1 2049 1 96 SER HA 1 96 SER HB2 2.599 . 3.443 2.525 2.402 3.046 . 0 0 "[ . 1 . 2]" 1 2050 1 96 SER HA 1 96 SER HB3 2.527 . 3.325 2.984 2.419 3.091 . 0 0 "[ . 1 . 2]" 1 2051 1 96 SER HA 1 97 LYS H 2.184 . 2.780 2.184 2.075 2.322 . 0 0 "[ . 1 . 2]" 1 2052 1 97 LYS H 1 97 LYS HA 2.648 . 3.524 2.947 2.907 2.988 . 0 0 "[ . 1 . 2]" 1 2053 1 97 LYS H 1 97 LYS HB2 2.607 . 3.456 2.410 2.340 2.480 . 0 0 "[ . 1 . 2]" 1 2054 1 97 LYS H 1 97 LYS HB3 2.685 . 3.586 3.596 3.549 3.661 0.075 10 0 "[ . 1 . 2]" 1 2055 1 97 LYS H 1 97 LYS HG2 2.794 . 3.770 3.583 3.466 3.720 . 0 0 "[ . 1 . 2]" 1 2056 1 97 LYS H 1 97 LYS HG3 2.785 . 3.754 2.450 2.339 2.610 . 0 0 "[ . 1 . 2]" 1 2057 1 97 LYS HA 1 97 LYS HB2 2.570 . 3.395 3.049 3.014 3.094 . 0 0 "[ . 1 . 2]" 1 2058 1 97 LYS HA 1 97 LYS HB3 2.464 . 3.223 2.474 2.420 2.530 . 0 0 "[ . 1 . 2]" 1 2059 1 97 LYS HA 1 97 LYS QE 3.017 . 4.155 4.018 3.784 4.550 0.395 6 0 "[ . 1 . 2]" 1 2060 1 97 LYS HA 1 97 LYS HG2 2.561 . 3.381 2.495 2.400 2.554 . 0 0 "[ . 1 . 2]" 1 2061 1 97 LYS HA 1 97 LYS QG 2.659 . 3.543 2.400 2.324 2.453 . 0 0 "[ . 1 . 2]" 1 2062 1 97 LYS HA 1 97 LYS HG3 2.561 . 3.381 3.120 3.013 3.210 . 0 0 "[ . 1 . 2]" 1 2063 1 97 LYS HA 1 98 ASN H 2.862 . 3.886 2.397 2.321 2.458 . 0 0 "[ . 1 . 2]" 1 2064 1 97 LYS HA 1 99 VAL H 3.046 . 4.206 4.041 3.671 4.630 0.424 17 0 "[ . 1 . 2]" 1 2065 1 97 LYS HA 1 99 VAL MG1 2.880 . 3.917 3.488 3.055 3.823 . 0 0 "[ . 1 . 2]" 1 2066 1 97 LYS HA 1 99 VAL MG2 2.641 . 5.000 3.756 3.332 4.359 . 0 0 "[ . 1 . 2]" 1 2067 1 97 LYS HB2 1 97 LYS QD 2.361 . 3.058 2.563 2.422 3.113 0.055 6 0 "[ . 1 . 2]" 1 2068 1 97 LYS HB2 1 97 LYS QG 2.593 . 3.433 2.360 2.306 2.407 . 0 0 "[ . 1 . 2]" 1 2069 1 97 LYS HB2 1 98 ASN H 3.290 . 4.643 3.611 3.544 3.674 . 0 0 "[ . 1 . 2]" 1 2070 1 97 LYS HB3 1 97 LYS QD 2.462 . 3.220 2.809 2.443 2.950 . 0 0 "[ . 1 . 2]" 1 2071 1 97 LYS HB3 1 97 LYS QE 2.864 . 3.890 2.238 2.038 2.987 . 0 0 "[ . 1 . 2]" 1 2072 1 97 LYS HB3 1 97 LYS QG 2.655 . 3.536 2.383 2.340 2.415 . 0 0 "[ . 1 . 2]" 1 2073 1 97 LYS HB3 1 97 LYS HG3 2.602 . 3.448 3.037 2.996 3.099 . 0 0 "[ . 1 . 2]" 1 2074 1 97 LYS QE 1 97 LYS QG 2.514 . 3.304 2.380 2.241 2.842 . 0 0 "[ . 1 . 2]" 1 2075 1 97 LYS QG 1 98 ASN H 3.285 . 4.634 3.899 3.802 3.997 . 0 0 "[ . 1 . 2]" 1 2076 1 98 ASN H 1 98 ASN HA 2.603 . 3.450 2.324 2.261 2.445 . 0 0 "[ . 1 . 2]" 1 2077 1 98 ASN H 1 99 VAL H 2.766 . 3.722 2.428 1.943 3.024 . 0 0 "[ . 1 . 2]" 1 2078 1 98 ASN H 1 99 VAL MG1 3.107 . 4.313 3.715 3.171 4.141 . 0 0 "[ . 1 . 2]" 1 2079 1 98 ASN HA 1 98 ASN HB2 2.279 . 2.928 2.988 2.320 3.067 0.139 2 0 "[ . 1 . 2]" 1 2080 1 98 ASN HA 1 98 ASN HB3 2.355 . 3.048 2.427 2.384 2.503 . 0 0 "[ . 1 . 2]" 1 2081 1 98 ASN HA 1 99 VAL H 2.081 . 2.622 2.422 2.150 2.729 0.107 10 0 "[ . 1 . 2]" 1 2082 1 99 VAL H 1 99 VAL HA 2.640 . 3.511 2.974 2.943 3.003 . 0 0 "[ . 1 . 2]" 1 2083 1 99 VAL H 1 99 VAL HB 2.851 . 3.867 3.798 3.705 3.859 . 0 0 "[ . 1 . 2]" 1 2084 1 99 VAL H 1 99 VAL MG1 2.460 . 3.217 2.906 2.795 2.974 . 0 0 "[ . 1 . 2]" 1 2085 1 99 VAL H 1 99 VAL MG2 2.005 . 2.507 2.128 2.033 2.201 . 0 0 "[ . 1 . 2]" 1 2086 1 99 VAL H 1 100 ILE H 3.037 . 4.190 4.406 4.329 4.480 0.290 8 0 "[ . 1 . 2]" 1 2087 1 99 VAL HA 1 99 VAL HB 2.469 . 3.231 2.488 2.441 2.526 . 0 0 "[ . 1 . 2]" 1 2088 1 99 VAL HA 1 99 VAL MG1 2.105 . 2.659 2.343 2.278 2.403 . 0 0 "[ . 1 . 2]" 1 2089 1 99 VAL HA 1 99 VAL MG2 2.460 . 3.217 3.237 3.203 3.271 0.054 3 0 "[ . 1 . 2]" 1 2090 1 99 VAL HA 1 100 ILE H 2.267 . 2.910 2.418 2.324 2.504 . 0 0 "[ . 1 . 2]" 1 2091 1 99 VAL HA 1 100 ILE MG 3.080 . 4.266 3.421 3.270 3.621 . 0 0 "[ . 1 . 2]" 1 2092 1 99 VAL HB 1 99 VAL MG1 2.136 . 2.706 2.130 2.093 2.174 . 0 0 "[ . 1 . 2]" 1 2093 1 99 VAL HB 1 99 VAL MG2 2.159 . 2.742 2.124 2.085 2.166 . 0 0 "[ . 1 . 2]" 1 2094 1 99 VAL HB 1 100 ILE H 2.644 . 3.518 2.552 2.462 2.730 . 0 0 "[ . 1 . 2]" 1 2095 1 99 VAL MG1 1 99 VAL MG2 1.854 . 2.284 2.074 2.039 2.123 . 0 0 "[ . 1 . 2]" 1 2096 1 99 VAL MG2 1 100 ILE H 2.843 . 3.854 3.416 3.327 3.541 . 0 0 "[ . 1 . 2]" 1 2097 1 100 ILE H 1 100 ILE HB 3.039 . 4.193 3.867 3.827 3.939 . 0 0 "[ . 1 . 2]" 1 2098 1 100 ILE H 1 100 ILE MD 2.995 . 4.116 3.670 1.821 4.061 0.053 15 0 "[ . 1 . 2]" 1 2099 1 100 ILE H 1 100 ILE HG12 2.791 . 3.765 2.490 2.299 3.260 . 0 0 "[ . 1 . 2]" 1 2100 1 100 ILE H 1 100 ILE HG13 2.798 . 3.777 3.095 2.839 4.195 0.418 1 0 "[ . 1 . 2]" 1 2101 1 100 ILE H 1 100 ILE MG 2.614 . 3.468 2.962 2.861 3.086 . 0 0 "[ . 1 . 2]" 1 2102 1 100 ILE H 1 101 ILE H 3.048 . 4.210 4.439 4.380 4.525 0.315 2 0 "[ . 1 . 2]" 1 2103 1 100 ILE H 1 102 THR MG 3.217 . 4.511 4.577 4.368 4.865 0.354 20 0 "[ . 1 . 2]" 1 2104 1 100 ILE HA 1 100 ILE HB 2.216 . 2.830 2.451 2.392 2.516 . 0 0 "[ . 1 . 2]" 1 2105 1 100 ILE HA 1 100 ILE MD 2.960 . 4.055 3.903 3.596 4.033 . 0 0 "[ . 1 . 2]" 1 2106 1 100 ILE HA 1 100 ILE MG 2.084 . 2.627 2.372 2.308 2.433 . 0 0 "[ . 1 . 2]" 1 2107 1 100 ILE HA 1 101 ILE H 2.066 . 2.600 2.345 2.175 2.454 . 0 0 "[ . 1 . 2]" 1 2108 1 100 ILE HB 1 100 ILE MD 2.197 . 5.000 2.521 2.279 3.335 . 0 0 "[ . 1 . 2]" 1 2109 1 100 ILE HB 1 100 ILE HG12 2.674 . 3.567 2.961 2.504 3.078 . 0 0 "[ . 1 . 2]" 1 2110 1 100 ILE HB 1 100 ILE HG13 2.480 . 3.249 2.507 2.354 2.569 . 0 0 "[ . 1 . 2]" 1 2111 1 100 ILE HB 1 100 ILE MG 1.959 . 2.439 2.168 2.109 2.197 . 0 0 "[ . 1 . 2]" 1 2112 1 100 ILE HB 1 101 ILE H 2.388 . 3.101 2.489 2.392 2.992 . 0 0 "[ . 1 . 2]" 1 2113 1 100 ILE HB 1 102 THR MG 3.031 . 5.000 4.320 3.967 4.732 . 0 0 "[ . 1 . 2]" 1 2114 1 100 ILE MD 1 100 ILE HG12 2.100 . 2.652 2.146 2.124 2.192 . 0 0 "[ . 1 . 2]" 1 2115 1 100 ILE MD 1 100 ILE HG13 2.088 . 2.633 2.130 2.076 2.176 . 0 0 "[ . 1 . 2]" 1 2116 1 100 ILE MD 1 100 ILE MG 1.939 . 2.409 2.149 2.069 2.258 . 0 0 "[ . 1 . 2]" 1 2117 1 100 ILE MD 1 100 ILE MG 1.891 . 2.338 1.883 1.822 1.911 . 0 0 "[ . 1 . 2]" 1 2118 1 100 ILE MD 1 102 THR H 3.324 . 4.705 4.704 4.598 4.884 0.179 20 0 "[ . 1 . 2]" 1 2119 1 100 ILE MD 1 102 THR HA 2.913 . 5.500 4.397 3.991 5.671 0.171 15 0 "[ . 1 . 2]" 1 2120 1 100 ILE MD 1 102 THR HB 3.266 . 6.000 5.147 4.574 6.379 0.379 20 0 "[ . 1 . 2]" 1 2121 1 100 ILE MD 1 102 THR MG 2.223 . 5.000 2.859 2.396 3.731 . 0 0 "[ . 1 . 2]" 1 2122 1 100 ILE HG12 1 100 ILE MG 2.283 . 2.934 2.454 2.247 3.278 0.344 15 0 "[ . 1 . 2]" 1 2123 1 100 ILE HG12 1 102 THR MG 2.886 . 3.927 3.721 2.658 4.210 0.283 19 0 "[ . 1 . 2]" 1 2124 1 100 ILE HG13 1 100 ILE MG 2.361 . 3.058 3.115 2.399 3.278 0.220 13 0 "[ . 1 . 2]" 1 2125 1 100 ILE HG13 1 101 ILE H 3.170 . 4.426 3.798 3.577 4.835 0.409 1 0 "[ . 1 . 2]" 1 2126 1 100 ILE HG13 1 102 THR MG 2.514 . 3.304 2.824 2.311 4.023 0.719 1 2 "[+ . 1 . -]" 1 2127 1 101 ILE H 1 101 ILE HA 2.859 . 3.880 2.970 2.918 2.998 . 0 0 "[ . 1 . 2]" 1 2128 1 101 ILE H 1 101 ILE HB 2.273 . 2.919 2.496 2.444 2.558 . 0 0 "[ . 1 . 2]" 1 2129 1 101 ILE H 1 101 ILE HG12 2.930 . 4.003 3.765 3.569 3.865 . 0 0 "[ . 1 . 2]" 1 2130 1 101 ILE H 1 101 ILE HG13 2.548 . 3.359 2.486 2.235 2.605 . 0 0 "[ . 1 . 2]" 1 2131 1 101 ILE H 1 102 THR H 3.136 . 4.365 4.457 4.383 4.558 0.193 12 0 "[ . 1 . 2]" 1 2132 1 101 ILE HA 1 101 ILE HB 2.762 . 3.716 3.062 3.020 3.115 . 0 0 "[ . 1 . 2]" 1 2133 1 101 ILE HA 1 101 ILE HG12 2.689 . 3.593 2.634 2.548 2.755 . 0 0 "[ . 1 . 2]" 1 2134 1 101 ILE HA 1 101 ILE HG13 2.809 . 3.795 3.003 2.934 3.073 . 0 0 "[ . 1 . 2]" 1 2135 1 101 ILE HA 1 101 ILE MG 2.188 . 2.786 2.372 2.305 2.468 . 0 0 "[ . 1 . 2]" 1 2136 1 101 ILE HA 1 102 THR H 2.463 . 3.221 2.174 2.117 2.241 . 0 0 "[ . 1 . 2]" 1 2137 1 101 ILE HA 1 102 THR MG 3.127 . 4.349 3.633 3.475 3.779 . 0 0 "[ . 1 . 2]" 1 2138 1 101 ILE HA 1 103 GLN H 2.937 . 4.015 3.766 3.535 3.873 . 0 0 "[ . 1 . 2]" 1 2139 1 101 ILE HB 1 101 ILE MD 2.189 . 2.788 2.372 2.246 2.479 . 0 0 "[ . 1 . 2]" 1 2140 1 101 ILE HB 1 101 ILE HG12 2.689 . 3.593 3.027 2.978 3.062 . 0 0 "[ . 1 . 2]" 1 2141 1 101 ILE HB 1 101 ILE HG13 2.605 . 3.453 2.531 2.500 2.581 . 0 0 "[ . 1 . 2]" 1 2142 1 101 ILE HB 1 101 ILE MG 2.094 . 2.642 2.156 2.127 2.201 . 0 0 "[ . 1 . 2]" 1 2143 1 101 ILE MD 1 101 ILE HG13 2.001 . 2.502 2.139 2.100 2.185 . 0 0 "[ . 1 . 2]" 1 2144 1 101 ILE MD 1 101 ILE MG 1.888 . 2.333 2.086 2.023 2.168 . 0 0 "[ . 1 . 2]" 1 2145 1 101 ILE MD 1 105 ASN HB2 2.965 . 4.064 3.535 2.849 4.231 0.167 4 0 "[ . 1 . 2]" 1 2146 1 101 ILE MD 1 105 ASN HB3 3.051 . 5.000 4.192 2.790 5.110 0.110 9 0 "[ . 1 . 2]" 1 2147 1 101 ILE HG12 1 101 ILE MG 2.361 . 3.058 2.321 2.269 2.390 . 0 0 "[ . 1 . 2]" 1 2148 1 101 ILE HG12 1 102 THR H 3.311 . 4.681 4.549 4.425 4.683 0.002 5 0 "[ . 1 . 2]" 1 2149 1 101 ILE HG13 1 101 ILE MG 2.462 . 3.220 3.206 3.183 3.265 0.045 8 0 "[ . 1 . 2]" 1 2150 1 101 ILE MG 1 102 THR H 2.589 . 3.427 2.785 2.705 2.850 . 0 0 "[ . 1 . 2]" 1 2151 1 101 ILE MG 1 102 THR HA 2.969 . 4.071 3.931 3.789 4.072 0.001 20 0 "[ . 1 . 2]" 1 2152 1 101 ILE MG 1 102 THR MG 3.082 . 4.269 4.401 4.313 4.483 0.214 9 0 "[ . 1 . 2]" 1 2153 1 101 ILE MG 1 103 GLN H 2.414 . 3.142 2.553 2.330 2.798 . 0 0 "[ . 1 . 2]" 1 2154 1 101 ILE MG 1 103 GLN HA 2.804 . 3.787 3.874 3.737 4.121 0.334 3 0 "[ . 1 . 2]" 1 2155 1 101 ILE MG 1 105 ASN H 2.890 . 3.934 2.888 2.595 3.114 . 0 0 "[ . 1 . 2]" 1 2156 1 101 ILE MG 1 105 ASN HA 3.183 . 4.449 2.990 2.459 3.291 . 0 0 "[ . 1 . 2]" 1 2157 1 101 ILE MG 1 105 ASN HB2 2.758 . 3.709 2.739 2.033 3.729 0.020 15 0 "[ . 1 . 2]" 1 2158 1 101 ILE MG 1 105 ASN HB3 2.798 . 3.777 2.955 2.074 3.577 . 0 0 "[ . 1 . 2]" 1 2159 1 102 THR H 1 102 THR HA 2.777 . 3.741 2.984 2.958 3.021 . 0 0 "[ . 1 . 2]" 1 2160 1 102 THR H 1 102 THR MG 2.628 . 3.492 2.515 2.405 2.658 . 0 0 "[ . 1 . 2]" 1 2161 1 102 THR H 1 103 GLN H 2.348 . 3.037 2.153 2.000 2.335 . 0 0 "[ . 1 . 2]" 1 2162 1 102 THR HA 1 102 THR HB 2.129 . 2.695 2.454 2.405 2.496 . 0 0 "[ . 1 . 2]" 1 2163 1 102 THR HA 1 102 THR MG 1.888 . 2.333 2.309 2.230 2.379 0.046 5 0 "[ . 1 . 2]" 1 2164 1 102 THR HA 1 103 GLN H 2.855 . 3.874 3.488 3.380 3.560 . 0 0 "[ . 1 . 2]" 1 2165 1 102 THR HB 1 102 THR MG 1.971 . 2.456 2.125 2.077 2.149 . 0 0 "[ . 1 . 2]" 1 2166 1 102 THR MG 1 103 GLN H 2.966 . 4.065 3.945 3.800 4.087 0.022 11 0 "[ . 1 . 2]" 1 2167 1 103 GLN H 1 103 GLN HA 2.600 . 3.445 2.959 2.876 2.999 . 0 0 "[ . 1 . 2]" 1 2168 1 103 GLN H 1 103 GLN HB2 3.181 . 4.446 3.057 2.729 4.034 . 0 0 "[ . 1 . 2]" 1 2169 1 103 GLN H 1 103 GLN HB3 3.058 . 4.227 3.641 2.830 3.952 . 0 0 "[ . 1 . 2]" 1 2170 1 103 GLN H 1 103 GLN QG 2.780 . 3.746 3.201 2.521 4.201 0.455 15 0 "[ . 1 . 2]" 1 2171 1 103 GLN H 1 104 GLY H 3.386 . 4.819 4.351 4.234 4.461 . 0 0 "[ . 1 . 2]" 1 2172 1 103 GLN HA 1 103 GLN HB2 2.359 . 3.055 2.844 2.318 3.044 . 0 0 "[ . 1 . 2]" 1 2173 1 103 GLN HA 1 103 GLN HB3 2.406 . 3.130 2.552 2.431 3.031 . 0 0 "[ . 1 . 2]" 1 2174 1 103 GLN HA 1 103 GLN QG 2.369 . 3.070 2.588 2.356 3.382 0.312 11 0 "[ . 1 . 2]" 1 2175 1 103 GLN HA 1 104 GLY H 2.530 . 3.330 2.297 2.221 2.406 . 0 0 "[ . 1 . 2]" 1 2176 1 103 GLN HA 1 105 ASN H 3.009 . 4.141 3.229 2.997 3.536 . 0 0 "[ . 1 . 2]" 1 2177 1 103 GLN HB2 1 103 GLN QG 2.245 . 2.875 2.334 2.279 2.393 . 0 0 "[ . 1 . 2]" 1 2178 1 103 GLN HB2 1 104 GLY H 3.073 . 4.253 3.771 2.616 4.229 . 0 0 "[ . 1 . 2]" 1 2179 1 103 GLN HB3 1 103 GLN QG 2.109 . 2.665 2.362 2.129 2.422 . 0 0 "[ . 1 . 2]" 1 2180 1 103 GLN HB3 1 104 GLY H 3.257 . 4.583 3.174 2.715 4.298 . 0 0 "[ . 1 . 2]" 1 2181 1 103 GLN QG 1 104 GLY H 3.089 . 4.282 3.738 2.398 4.175 . 0 0 "[ . 1 . 2]" 1 2182 1 104 GLY H 1 105 ASN H 2.611 . 3.463 2.468 2.269 2.648 . 0 0 "[ . 1 . 2]" 1 2183 1 104 GLY H 1 106 GLU H 3.300 . 4.662 3.253 2.915 3.710 . 0 0 "[ . 1 . 2]" 1 2184 1 105 ASN H 1 105 ASN HA 2.757 . 3.707 2.972 2.894 3.021 . 0 0 "[ . 1 . 2]" 1 2185 1 105 ASN H 1 105 ASN HB2 2.790 . 3.763 3.105 2.587 3.783 0.020 15 0 "[ . 1 . 2]" 1 2186 1 105 ASN H 1 105 ASN HB3 2.797 . 3.775 2.667 2.542 2.823 . 0 0 "[ . 1 . 2]" 1 2187 1 105 ASN H 1 106 GLU H 2.383 . 3.093 2.075 1.894 2.442 . 0 0 "[ . 1 . 2]" 1 2188 1 105 ASN H 1 106 GLU QG 3.062 . 5.000 4.102 3.293 4.746 . 0 0 "[ . 1 . 2]" 1 2189 1 105 ASN HA 1 105 ASN HB2 2.334 . 3.015 2.487 2.363 2.581 . 0 0 "[ . 1 . 2]" 1 2190 1 105 ASN HA 1 105 ASN HB3 2.362 . 3.060 2.818 2.438 3.064 0.004 19 0 "[ . 1 . 2]" 1 2191 1 105 ASN HA 1 106 GLU H 2.955 . 4.047 3.443 3.348 3.526 . 0 0 "[ . 1 . 2]" 1 2192 1 105 ASN HB2 1 106 GLU H 3.200 . 4.480 4.003 3.819 4.199 . 0 0 "[ . 1 . 2]" 1 2193 1 105 ASN HB2 1 106 GLU QG 3.158 . 4.405 4.128 3.243 4.869 0.464 5 0 "[ . 1 . 2]" 1 2194 1 105 ASN HB3 1 106 GLU H 3.162 . 4.412 3.400 2.845 4.206 . 0 0 "[ . 1 . 2]" 1 2195 1 105 ASN HB3 1 106 GLU QG 3.039 . 4.193 3.538 2.627 4.864 0.671 10 2 "[ - . + . 2]" 1 2196 1 106 GLU H 1 106 GLU HA 2.879 . 3.915 2.957 2.916 2.991 . 0 0 "[ . 1 . 2]" 1 2197 1 106 GLU H 1 106 GLU HB2 2.898 . 3.948 3.097 2.540 3.993 0.045 2 0 "[ . 1 . 2]" 1 2198 1 106 GLU H 1 106 GLU HB3 3.044 . 4.202 3.674 3.230 3.962 . 0 0 "[ . 1 . 2]" 1 2199 1 106 GLU H 1 106 GLU QG 2.632 . 3.498 2.958 2.387 3.290 . 0 0 "[ . 1 . 2]" 1 2200 1 106 GLU H 1 107 MET H 3.281 . 4.627 4.078 3.219 4.456 . 0 0 "[ . 1 . 2]" 1 2201 1 106 GLU HA 1 106 GLU HB2 2.542 . 3.350 2.851 2.391 3.088 . 0 0 "[ . 1 . 2]" 1 2202 1 106 GLU HA 1 106 GLU HB3 2.421 . 3.153 2.472 2.372 2.529 . 0 0 "[ . 1 . 2]" 1 2203 1 106 GLU HB2 1 106 GLU QG 2.126 . 2.691 2.341 2.159 2.439 . 0 0 "[ . 1 . 2]" 1 2204 1 106 GLU HB2 1 107 MET H 2.864 . 3.889 2.710 1.831 3.634 0.008 16 0 "[ . 1 . 2]" 1 2205 1 106 GLU HB3 1 106 GLU QG 2.069 . 2.604 2.359 2.312 2.415 . 0 0 "[ . 1 . 2]" 1 2206 1 106 GLU HB3 1 107 MET H 2.807 . 3.792 2.628 1.788 3.736 0.034 3 0 "[ . 1 . 2]" 1 2207 1 107 MET H 1 107 MET HB2 3.045 . 4.204 2.598 2.273 3.079 . 0 0 "[ . 1 . 2]" 1 2208 1 107 MET H 1 107 MET HB3 2.936 . 4.014 2.450 2.317 2.577 . 0 0 "[ . 1 . 2]" 1 2209 1 107 MET H 1 107 MET QG 3.328 . 4.712 3.998 3.889 4.210 . 0 0 "[ . 1 . 2]" 1 2210 1 107 MET HA 1 107 MET HB2 2.743 . 3.684 2.512 2.430 2.577 . 0 0 "[ . 1 . 2]" 1 2211 1 107 MET HA 1 107 MET HB3 2.899 . 3.950 3.031 2.983 3.065 . 0 0 "[ . 1 . 2]" 1 2212 1 107 MET HA 1 107 MET QG 2.631 . 3.496 2.549 2.487 2.676 . 0 0 "[ . 1 . 2]" 1 2213 1 107 MET HA 1 108 ARG H 2.465 . 3.224 2.252 2.142 2.354 . 0 0 "[ . 1 . 2]" 1 2214 1 107 MET HB2 1 107 MET ME 2.462 . 3.220 3.325 3.159 3.502 0.282 1 0 "[ . 1 . 2]" 1 2215 1 107 MET ME 1 107 MET QG 2.362 . 3.060 2.349 2.185 2.463 . 0 0 "[ . 1 . 2]" 1 2216 1 107 MET ME 1 108 ARG H 3.127 . 4.349 4.324 4.093 4.592 0.243 5 0 "[ . 1 . 2]" 1 2217 1 107 MET ME 1 109 LEU MD2 2.917 . 3.981 3.917 2.707 4.359 0.378 4 0 "[ . 1 . 2]" 1 2218 1 107 MET QG 1 108 ARG H 2.968 . 4.069 2.498 2.288 2.786 . 0 0 "[ . 1 . 2]" 1 2219 1 108 ARG H 1 109 LEU H 3.336 . 4.728 4.409 4.347 4.504 . 0 0 "[ . 1 . 2]" 1 2220 1 108 ARG HA 1 108 ARG QG 3.110 . 4.319 2.578 2.445 3.374 . 0 0 "[ . 1 . 2]" 1 2221 1 108 ARG HA 1 109 LEU H 2.725 . 3.653 2.364 2.272 2.465 . 0 0 "[ . 1 . 2]" 1 2222 1 108 ARG QB 1 108 ARG QD 2.779 . 3.745 2.215 1.999 2.398 . 0 0 "[ . 1 . 2]" 1 2223 1 108 ARG HB2 1 108 ARG QD 2.770 . 3.729 2.560 2.206 3.113 . 0 0 "[ . 1 . 2]" 1 2224 1 108 ARG HB2 1 110 LEU MD2 3.084 . 5.000 4.524 2.990 4.985 . 0 0 "[ . 1 . 2]" 1 2225 1 108 ARG HB3 1 108 ARG QD 2.817 . 3.809 2.514 2.215 3.038 . 0 0 "[ . 1 . 2]" 1 2226 1 108 ARG HB3 1 110 LEU MD2 3.007 . 4.137 3.393 2.952 4.747 0.610 16 1 "[ . 1 .+ 2]" 1 2227 1 108 ARG QD 1 110 LEU MD2 2.852 . 3.869 2.943 2.018 3.999 0.130 19 0 "[ . 1 . 2]" 1 2228 1 108 ARG QG 1 110 LEU MD2 2.793 . 5.000 3.079 2.271 4.347 . 0 0 "[ . 1 . 2]" 1 2229 1 109 LEU H 1 109 LEU HB2 2.874 . 3.906 2.349 2.238 2.590 . 0 0 "[ . 1 . 2]" 1 2230 1 109 LEU H 1 109 LEU HB3 2.912 . 3.972 3.601 3.500 3.746 . 0 0 "[ . 1 . 2]" 1 2231 1 109 LEU H 1 109 LEU MD1 2.988 . 4.104 3.785 3.562 3.996 . 0 0 "[ . 1 . 2]" 1 2232 1 109 LEU H 1 109 LEU MD2 3.158 . 4.405 3.965 3.627 4.299 . 0 0 "[ . 1 . 2]" 1 2233 1 109 LEU H 1 109 LEU HG 3.249 . 4.568 3.013 2.642 3.591 . 0 0 "[ . 1 . 2]" 1 2234 1 109 LEU HA 1 109 LEU HB2 2.928 . 4.000 3.035 2.967 3.068 . 0 0 "[ . 1 . 2]" 1 2235 1 109 LEU HA 1 109 LEU HB3 2.896 . 3.944 2.586 2.479 2.698 . 0 0 "[ . 1 . 2]" 1 2236 1 109 LEU HA 1 109 LEU MD1 2.829 . 3.829 3.894 3.789 3.954 0.125 7 0 "[ . 1 . 2]" 1 2237 1 109 LEU HA 1 109 LEU MD2 2.110 . 2.666 2.151 1.975 2.289 . 0 0 "[ . 1 . 2]" 1 2238 1 109 LEU HA 1 109 LEU HG 2.969 . 4.071 2.971 2.685 3.140 . 0 0 "[ . 1 . 2]" 1 2239 1 109 LEU HA 1 110 LEU H 2.919 . 3.984 2.246 2.188 2.305 . 0 0 "[ . 1 . 2]" 1 2240 1 109 LEU HB2 1 109 LEU MD1 2.404 . 3.127 2.261 2.205 2.347 . 0 0 "[ . 1 . 2]" 1 2241 1 109 LEU HB2 1 109 LEU MD2 2.558 . 3.376 3.175 3.139 3.219 . 0 0 "[ . 1 . 2]" 1 2242 1 109 LEU HB2 1 109 LEU HG 2.743 . 3.684 2.549 2.499 2.598 . 0 0 "[ . 1 . 2]" 1 2243 1 109 LEU HB3 1 109 LEU MD1 2.452 . 3.203 2.388 2.268 2.518 . 0 0 "[ . 1 . 2]" 1 2244 1 109 LEU HB3 1 109 LEU MD2 2.460 . 3.217 2.206 2.149 2.299 . 0 0 "[ . 1 . 2]" 1 2245 1 109 LEU HB3 1 109 LEU HG 2.755 . 3.704 3.019 2.986 3.084 . 0 0 "[ . 1 . 2]" 1 2246 1 109 LEU HB3 1 112 LEU MD1 3.145 . 4.381 2.621 2.380 2.928 . 0 0 "[ . 1 . 2]" 1 2247 1 109 LEU MD1 1 109 LEU MD2 1.916 . 2.375 2.066 2.016 2.115 . 0 0 "[ . 1 . 2]" 1 2248 1 109 LEU MD1 1 109 LEU HG 2.318 . 2.990 2.139 2.099 2.178 . 0 0 "[ . 1 . 2]" 1 2249 1 109 LEU MD1 1 112 LEU MD1 2.454 . 3.207 2.082 1.965 2.277 . 0 0 "[ . 1 . 2]" 1 2250 1 109 LEU MD1 1 112 LEU MD2 2.283 . 2.934 2.863 2.610 3.189 0.255 18 0 "[ . 1 . 2]" 1 2251 1 109 LEU MD1 1 112 LEU HG 3.050 . 4.213 3.801 3.206 4.116 . 0 0 "[ . 1 . 2]" 1 2252 1 109 LEU MD2 1 109 LEU HG 2.230 . 2.852 2.152 2.116 2.185 . 0 0 "[ . 1 . 2]" 1 2253 1 109 LEU MD2 1 110 LEU H 2.973 . 4.078 3.326 2.794 3.537 . 0 0 "[ . 1 . 2]" 1 2254 1 109 LEU MD2 1 112 LEU MD1 2.225 . 2.844 2.473 2.180 3.311 0.467 19 0 "[ . 1 . 2]" 1 2255 1 109 LEU MD2 1 112 LEU MD2 2.529 . 5.000 3.441 3.144 4.259 . 0 0 "[ . 1 . 2]" 1 2256 1 109 LEU MD2 1 112 LEU HG 2.904 . 3.958 3.140 2.857 4.031 0.073 19 0 "[ . 1 . 2]" 1 2257 1 110 LEU H 1 110 LEU MD2 3.565 . 5.153 3.674 3.504 3.766 . 0 0 "[ . 1 . 2]" 1 2258 1 110 LEU H 1 111 SER H 2.899 . 3.949 2.347 2.246 2.442 . 0 0 "[ . 1 . 2]" 1 2259 1 110 LEU HA 1 110 LEU HB2 2.885 . 3.925 3.039 2.984 3.058 . 0 0 "[ . 1 . 2]" 1 2260 1 110 LEU HA 1 110 LEU MD1 2.717 . 3.640 3.873 3.823 3.916 0.276 14 0 "[ . 1 . 2]" 1 2261 1 110 LEU HA 1 110 LEU MD2 2.016 . 2.524 2.124 2.057 2.225 . 0 0 "[ . 1 . 2]" 1 2262 1 110 LEU HA 1 110 LEU HG 2.944 . 4.027 3.120 3.043 3.179 . 0 0 "[ . 1 . 2]" 1 2263 1 110 LEU HA 1 111 SER H 3.113 . 4.324 3.616 3.558 3.663 . 0 0 "[ . 1 . 2]" 1 2264 1 110 LEU HB2 1 110 LEU MD1 2.480 . 3.249 2.295 2.232 2.368 . 0 0 "[ . 1 . 2]" 1 2265 1 110 LEU HB2 1 110 LEU MD2 2.488 . 3.262 3.242 3.196 3.277 0.015 8 0 "[ . 1 . 2]" 1 2266 1 110 LEU HB2 1 110 LEU HG 2.947 . 4.032 2.492 2.439 2.539 . 0 0 "[ . 1 . 2]" 1 2267 1 110 LEU HB3 1 110 LEU MD1 2.529 . 3.329 2.379 2.321 2.454 . 0 0 "[ . 1 . 2]" 1 2268 1 110 LEU HB3 1 110 LEU MD2 2.645 . 3.519 2.412 2.314 2.487 . 0 0 "[ . 1 . 2]" 1 2269 1 110 LEU HB3 1 111 SER H 3.179 . 4.442 3.641 3.482 3.774 . 0 0 "[ . 1 . 2]" 1 2270 1 110 LEU MD1 1 110 LEU MD2 1.901 . 2.353 2.080 2.039 2.115 . 0 0 "[ . 1 . 2]" 1 2271 1 110 LEU MD1 1 110 LEU HG 2.306 . 2.971 2.142 2.117 2.193 . 0 0 "[ . 1 . 2]" 1 2272 1 110 LEU MD1 1 111 SER H 3.133 . 4.360 4.427 4.290 4.567 0.207 17 0 "[ . 1 . 2]" 1 2273 1 110 LEU MD2 1 110 LEU HG 2.248 . 2.880 2.135 2.096 2.173 . 0 0 "[ . 1 . 2]" 1 2274 1 111 SER H 1 111 SER HB2 3.220 . 4.516 3.134 2.832 4.020 . 0 0 "[ . 1 . 2]" 1 2275 1 111 SER H 1 111 SER HB3 3.196 . 4.473 3.640 2.916 3.963 . 0 0 "[ . 1 . 2]" 1 2276 1 111 SER H 1 112 LEU H 3.404 . 4.853 4.372 4.280 4.446 . 0 0 "[ . 1 . 2]" 1 2277 1 111 SER HA 1 111 SER QB 2.397 . 3.115 2.342 2.173 2.399 . 0 0 "[ . 1 . 2]" 1 2278 1 111 SER HA 1 111 SER HB3 2.367 . 3.067 2.605 2.413 3.067 . 18 0 "[ . 1 . 2]" 1 2279 1 111 SER HA 1 112 LEU H 2.386 . 3.098 2.354 2.226 2.455 . 0 0 "[ . 1 . 2]" 1 2280 1 111 SER HB2 1 112 LEU H 2.875 . 3.908 3.747 2.657 4.007 0.099 18 0 "[ . 1 . 2]" 1 2281 1 112 LEU H 1 112 LEU HB2 3.123 . 4.342 2.715 2.635 2.782 . 0 0 "[ . 1 . 2]" 1 2282 1 112 LEU H 1 112 LEU HB3 3.079 . 4.264 3.818 3.764 3.876 . 0 0 "[ . 1 . 2]" 1 2283 1 112 LEU H 1 112 LEU MD2 3.266 . 4.599 4.386 4.271 4.457 . 0 0 "[ . 1 . 2]" 1 2284 1 112 LEU HA 1 112 LEU HB2 2.730 . 3.662 3.042 3.005 3.077 . 0 0 "[ . 1 . 2]" 1 2285 1 112 LEU HA 1 112 LEU HB3 2.767 . 3.724 2.476 2.444 2.509 . 0 0 "[ . 1 . 2]" 1 2286 1 112 LEU HA 1 112 LEU MD1 2.448 . 3.197 3.179 3.080 3.231 0.034 20 0 "[ . 1 . 2]" 1 2287 1 112 LEU HA 1 112 LEU MD2 2.754 . 3.702 3.853 3.793 3.929 0.227 13 0 "[ . 1 . 2]" 1 2288 1 112 LEU HA 1 112 LEU HG 2.987 . 4.102 2.751 2.710 2.812 . 0 0 "[ . 1 . 2]" 1 2289 1 112 LEU HA 1 113 GLU H 2.369 . 3.071 2.279 2.197 2.359 . 0 0 "[ . 1 . 2]" 1 2290 1 112 LEU HB2 1 112 LEU MD1 2.486 . 3.259 2.397 2.323 2.498 . 0 0 "[ . 1 . 2]" 1 2291 1 112 LEU HB2 1 112 LEU MD2 2.575 . 3.404 2.359 2.263 2.435 . 0 0 "[ . 1 . 2]" 1 2292 1 112 LEU HB2 1 112 LEU HG 2.996 . 4.118 3.051 3.012 3.085 . 0 0 "[ . 1 . 2]" 1 2293 1 112 LEU HB2 1 113 GLU H 3.135 . 4.364 4.021 3.927 4.148 . 0 0 "[ . 1 . 2]" 1 2294 1 112 LEU HB2 1 114 MET ME 2.878 . 3.913 3.515 2.023 4.038 0.125 19 0 "[ . 1 . 2]" 1 2295 1 112 LEU HB3 1 112 LEU MD1 2.593 . 3.433 3.261 3.218 3.305 . 0 0 "[ . 1 . 2]" 1 2296 1 112 LEU HB3 1 112 LEU MD2 2.473 . 3.237 2.205 2.146 2.263 . 0 0 "[ . 1 . 2]" 1 2297 1 112 LEU HB3 1 112 LEU HG 2.891 . 3.935 2.494 2.449 2.543 . 0 0 "[ . 1 . 2]" 1 2298 1 112 LEU HB3 1 113 GLU H 3.192 . 4.465 2.946 2.831 3.138 . 0 0 "[ . 1 . 2]" 1 2299 1 112 LEU HB3 1 114 MET ME 2.510 . 5.000 3.549 2.820 3.883 . 0 0 "[ . 1 . 2]" 1 2300 1 112 LEU MD1 1 112 LEU MD2 2.054 . 2.582 2.059 2.028 2.107 . 0 0 "[ . 1 . 2]" 1 2301 1 112 LEU MD1 1 112 LEU HG 2.346 . 3.034 2.146 2.111 2.178 . 0 0 "[ . 1 . 2]" 1 2302 1 112 LEU MD2 1 114 MET ME 2.083 . 2.625 2.387 2.065 2.776 0.151 15 0 "[ . 1 . 2]" 1 2303 1 112 LEU MD2 1 114 MET QG 3.098 . 4.297 2.997 2.789 3.270 . 0 0 "[ . 1 . 2]" 1 2304 1 113 GLU H 1 113 GLU HB2 2.956 . 4.048 2.878 2.484 2.995 . 0 0 "[ . 1 . 2]" 1 2305 1 113 GLU H 1 113 GLU HB3 3.222 . 4.519 2.712 2.540 3.687 . 0 0 "[ . 1 . 2]" 1 2306 1 113 GLU H 1 113 GLU HG2 3.143 . 4.378 4.651 4.001 4.857 0.479 18 0 "[ . 1 . 2]" 1 2307 1 113 GLU HA 1 113 GLU HB3 2.730 . 3.662 2.990 2.492 3.070 . 0 0 "[ . 1 . 2]" 1 2308 1 113 GLU HA 1 113 GLU HG2 2.599 . 3.443 3.515 2.446 3.861 0.418 20 0 "[ . 1 . 2]" 1 2309 1 113 GLU HA 1 114 MET H 2.748 . 3.692 2.279 2.200 2.340 . 0 0 "[ . 1 . 2]" 1 2310 1 113 GLU HB2 1 113 GLU HG2 2.434 . 3.175 2.674 2.492 3.031 . 0 0 "[ . 1 . 2]" 1 2311 1 113 GLU HB2 1 113 GLU QG 2.532 . 3.333 2.378 2.271 2.440 . 0 0 "[ . 1 . 2]" 1 2312 1 113 GLU HB2 1 113 GLU HG3 2.498 . 3.278 2.832 2.351 3.062 . 0 0 "[ . 1 . 2]" 1 2313 1 113 GLU HB3 1 113 GLU HG2 2.303 . 2.966 2.376 2.283 2.486 . 0 0 "[ . 1 . 2]" 1 2314 1 113 GLU HB3 1 113 GLU QG 2.337 . 3.019 2.209 2.118 2.368 . 0 0 "[ . 1 . 2]" 1 2315 1 114 MET H 1 114 MET HB2 3.266 . 4.599 2.654 2.585 2.783 . 0 0 "[ . 1 . 2]" 1 2316 1 114 MET H 1 114 MET QG 3.194 . 4.470 2.817 2.685 2.992 . 0 0 "[ . 1 . 2]" 1 2317 1 114 MET H 1 115 LEU H 3.371 . 4.791 4.504 4.433 4.550 . 0 0 "[ . 1 . 2]" 1 2318 1 114 MET HA 1 114 MET HB2 2.856 . 3.876 3.040 3.006 3.085 . 0 0 "[ . 1 . 2]" 1 2319 1 114 MET HA 1 114 MET HB3 2.475 . 3.241 2.479 2.444 2.540 . 0 0 "[ . 1 . 2]" 1 2320 1 114 MET HA 1 114 MET ME 2.940 . 5.000 4.076 3.798 4.890 . 0 0 "[ . 1 . 2]" 1 2321 1 114 MET HA 1 114 MET QG 2.621 . 3.480 2.475 2.342 2.533 . 0 0 "[ . 1 . 2]" 1 2322 1 114 MET HA 1 115 LEU H 2.424 . 3.159 2.270 2.162 2.345 . 0 0 "[ . 1 . 2]" 1 2323 1 114 MET HB2 1 114 MET ME 2.500 . 3.281 3.243 2.288 3.514 0.233 12 0 "[ . 1 . 2]" 1 2324 1 114 MET HB2 1 115 LEU H 3.050 . 4.213 3.918 3.757 4.017 . 0 0 "[ . 1 . 2]" 1 2325 1 114 MET HB3 1 114 MET ME 2.419 . 5.000 2.536 2.254 3.979 . 0 0 "[ . 1 . 2]" 1 2326 1 114 MET HB3 1 114 MET QG 2.578 . 3.409 2.398 2.327 2.442 . 0 0 "[ . 1 . 2]" 1 2327 1 114 MET HB3 1 115 LEU H 3.154 . 4.397 2.858 2.584 3.018 . 0 0 "[ . 1 . 2]" 1 2328 1 114 MET ME 1 114 MET QG 2.158 . 2.740 2.289 2.200 2.386 . 0 0 "[ . 1 . 2]" 1 2329 1 114 MET QG 1 115 LEU H 3.280 . 4.624 4.075 3.857 4.203 . 0 0 "[ . 1 . 2]" 1 2330 1 115 LEU H 1 115 LEU HB2 2.728 . 3.659 2.521 2.439 2.575 . 0 0 "[ . 1 . 2]" 1 2331 1 115 LEU H 1 115 LEU HB3 2.771 . 3.731 3.707 3.638 3.738 0.007 3 0 "[ . 1 . 2]" 1 2332 1 115 LEU H 1 115 LEU QD 2.939 . 4.019 3.400 3.322 3.467 . 0 0 "[ . 1 . 2]" 1 2333 1 115 LEU H 1 115 LEU HG 3.021 . 4.162 2.793 2.628 2.910 . 0 0 "[ . 1 . 2]" 1 2334 1 115 LEU HA 1 115 LEU HB2 2.527 . 3.325 3.025 2.984 3.069 . 0 0 "[ . 1 . 2]" 1 2335 1 115 LEU HA 1 115 LEU HB3 2.462 . 3.220 2.463 2.406 2.507 . 0 0 "[ . 1 . 2]" 1 2336 1 115 LEU HA 1 115 LEU MD2 2.175 . 2.767 2.190 2.118 2.274 . 0 0 "[ . 1 . 2]" 1 2337 1 115 LEU HA 1 115 LEU HG 2.757 . 3.707 3.140 3.049 3.215 . 0 0 "[ . 1 . 2]" 1 2338 1 115 LEU HA 1 116 ALA H 2.644 . 3.518 2.181 2.108 2.266 . 0 0 "[ . 1 . 2]" 1 2339 1 115 LEU HB2 1 115 LEU MD1 2.235 . 2.859 2.275 2.201 2.358 . 0 0 "[ . 1 . 2]" 1 2340 1 115 LEU HB2 1 115 LEU HG 2.353 . 3.045 2.466 2.425 2.506 . 0 0 "[ . 1 . 2]" 1 2341 1 115 LEU HB3 1 115 LEU QD 2.241 . 2.869 2.128 2.070 2.177 . 0 0 "[ . 1 . 2]" 1 2342 1 115 LEU HB3 1 115 LEU HG 2.299 . 2.960 3.014 2.977 3.084 0.124 5 0 "[ . 1 . 2]" 1 2343 1 115 LEU QD 1 115 LEU HG 2.058 . 2.587 1.908 1.881 1.937 . 0 0 "[ . 1 . 2]" 1 2344 1 115 LEU MD2 1 116 ALA H 2.980 . 4.090 3.714 3.535 3.805 . 0 0 "[ . 1 . 2]" 1 2345 1 116 ALA H 1 116 ALA HA 2.952 . 4.041 2.861 2.806 2.917 . 0 0 "[ . 1 . 2]" 1 2346 1 116 ALA H 1 116 ALA MB 2.455 . 3.209 2.221 2.165 2.268 . 0 0 "[ . 1 . 2]" 1 2347 1 116 ALA HA 1 116 ALA MB 1.978 . 2.467 2.148 2.125 2.178 . 0 0 "[ . 1 . 2]" 1 2348 1 116 ALA HA 1 117 GLU H 2.178 . 2.771 2.252 2.148 2.374 . 0 0 "[ . 1 . 2]" 1 2349 1 116 ALA MB 1 117 GLU H 2.410 . 3.136 2.636 2.442 2.806 . 0 0 "[ . 1 . 2]" 1 2350 1 116 ALA MB 1 117 GLU QG 2.628 . 5.000 3.600 3.271 4.106 . 0 0 "[ . 1 . 2]" 1 2351 1 117 GLU H 1 117 GLU HA 2.475 . 3.240 2.868 2.821 2.909 . 0 0 "[ . 1 . 2]" 1 2352 1 117 GLU H 1 117 GLU HB2 2.752 . 3.699 3.516 2.454 3.617 . 0 0 "[ . 1 . 2]" 1 2353 1 117 GLU H 1 117 GLU HB3 2.458 . 3.213 2.495 2.384 3.558 0.345 12 0 "[ . 1 . 2]" 1 2354 1 117 GLU H 1 117 GLU QG 2.731 . 3.663 2.218 2.085 2.837 . 0 0 "[ . 1 . 2]" 1 2355 1 117 GLU HA 1 117 GLU HB2 2.305 . 2.969 2.423 2.351 3.001 0.032 12 0 "[ . 1 . 2]" 1 2356 1 117 GLU HA 1 117 GLU HB3 2.387 . 3.099 2.481 2.407 2.522 . 0 0 "[ . 1 . 2]" 1 2357 1 117 GLU HB2 1 117 GLU QG 1.832 . 2.251 2.327 2.138 2.391 0.140 14 0 "[ . 1 . 2]" 1 stop_ save_
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