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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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403198 |
1wj6 ![]() ![]() |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wj6 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 2590 _Distance_constraint_stats_list.Viol_count 3235 _Distance_constraint_stats_list.Viol_total 4092.179 _Distance_constraint_stats_list.Viol_max 0.963 _Distance_constraint_stats_list.Viol_rms 0.0313 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0039 _Distance_constraint_stats_list.Viol_average_violations_only 0.0632 _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 10 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 GLU 4.233 0.824 2 3 "[ + . * 1 - . 2]" 1 13 PRO 4.383 0.955 2 4 "[ +- . * 1 * . 2]" 1 14 GLN 9.791 0.963 11 2 "[ . 1+ . -]" 1 15 VAL 7.089 0.578 20 2 "[ . 1* . +]" 1 16 THR 10.260 0.201 20 0 "[ . 1 . 2]" 1 17 LEU 6.748 0.201 20 0 "[ . 1 . 2]" 1 18 ASN 5.432 0.222 12 0 "[ . 1 . 2]" 1 19 VAL 9.294 0.222 12 0 "[ . 1 . 2]" 1 20 THR 4.867 0.711 16 1 "[ . 1 .+ 2]" 1 21 PHE 11.405 0.800 16 4 "[ . *1 -*+ 2]" 1 22 LYS 13.261 0.800 16 4 "[ . *1 *-+ 2]" 1 23 ASN 1.809 0.247 18 0 "[ . 1 . 2]" 1 24 GLU 6.774 0.721 18 2 "[ . - 1 . + 2]" 1 25 ILE 4.271 0.721 18 2 "[ . - 1 . + 2]" 1 26 GLN 7.740 0.421 8 0 "[ . 1 . 2]" 1 27 SER 4.956 0.186 17 0 "[ . 1 . 2]" 1 28 PHE 1.030 0.139 3 0 "[ . 1 . 2]" 1 29 LEU 5.006 0.963 11 2 "[ . 1+ . -]" 1 30 VAL 2.168 0.091 11 0 "[ . 1 . 2]" 1 31 SER 1.176 0.091 11 0 "[ . 1 . 2]" 1 32 ASP 6.446 0.620 6 5 "[ ** *+ -1 . 2]" 1 33 PRO 9.601 0.955 2 5 "[ +* ** -1 . 2]" 1 34 GLU 2.723 0.235 13 0 "[ . 1 . 2]" 1 35 ASN 1.644 0.167 5 0 "[ . 1 . 2]" 1 36 THR 2.799 0.113 20 0 "[ . 1 . 2]" 1 37 THR 1.288 0.102 13 0 "[ . 1 . 2]" 1 38 TRP 1.329 0.069 12 0 "[ . 1 . 2]" 1 39 ALA 1.052 0.072 12 0 "[ . 1 . 2]" 1 40 ASP 0.906 0.072 12 0 "[ . 1 . 2]" 1 41 ILE 3.663 0.150 6 0 "[ . 1 . 2]" 1 42 GLU 1.503 0.068 17 0 "[ . 1 . 2]" 1 43 ALA 4.306 0.912 19 4 "[ . * -1 . +*]" 1 44 MET 5.591 0.547 20 2 "[ - . 1 . +]" 1 45 VAL 0.266 0.079 20 0 "[ . 1 . 2]" 1 46 LYS 6.299 0.912 19 4 "[ . * -1 . +*]" 1 47 VAL 3.448 0.336 12 0 "[ . 1 . 2]" 1 48 SER 2.840 0.154 7 0 "[ . 1 . 2]" 1 49 PHE 6.356 0.421 8 0 "[ . 1 . 2]" 1 50 ASP 0.173 0.054 10 0 "[ . 1 . 2]" 1 51 LEU 0.890 0.098 7 0 "[ . 1 . 2]" 1 52 ASN 0.019 0.019 7 0 "[ . 1 . 2]" 1 53 THR 1.579 0.626 11 1 "[ . 1+ . 2]" 1 54 ILE 3.399 0.098 7 0 "[ . 1 . 2]" 1 55 GLN 10.989 0.911 6 1 "[ .+ 1 . 2]" 1 56 ILE 17.371 0.911 6 1 "[ .+ 1 . 2]" 1 57 LYS 6.850 0.587 6 1 "[ .+ 1 . 2]" 1 58 TYR 4.964 0.097 2 0 "[ . 1 . 2]" 1 59 LEU 5.643 0.538 15 1 "[ . 1 + 2]" 1 60 ASP 0.847 0.076 9 0 "[ . 1 . 2]" 1 61 GLU 7.191 0.343 19 0 "[ . 1 . 2]" 1 62 GLU 13.614 0.909 19 5 "[ . ** - . * +2]" 1 63 ASN 2.005 0.909 19 1 "[ . 1 . +2]" 1 64 GLU 5.662 0.750 11 6 "[ . **+- . * *2]" 1 65 GLU 2.447 0.750 11 1 "[ . 1+ . 2]" 1 66 VAL 0.158 0.032 8 0 "[ . 1 . 2]" 1 67 SER 0.898 0.546 10 1 "[ . + . 2]" 1 68 ILE 1.508 0.619 10 1 "[ . + . 2]" 1 69 ASN 1.796 0.619 10 1 "[ . + . 2]" 1 70 SER 2.703 0.612 8 2 "[- . + 1 . 2]" 1 71 GLN 0.216 0.063 12 0 "[ . 1 . 2]" 1 72 GLY 0.279 0.047 7 0 "[ . 1 . 2]" 1 73 GLU 7.339 0.614 4 5 "[* +. * * . -2]" 1 74 TYR 0.396 0.069 12 0 "[ . 1 . 2]" 1 75 GLU 2.051 0.071 1 0 "[ . 1 . 2]" 1 76 GLU 4.438 0.180 3 0 "[ . 1 . 2]" 1 77 ALA 0.868 0.051 11 0 "[ . 1 . 2]" 1 78 LEU 5.676 0.132 20 0 "[ . 1 . 2]" 1 79 LYS 9.992 0.441 18 0 "[ . 1 . 2]" 1 80 MET 2.252 0.067 2 0 "[ . 1 . 2]" 1 81 ALA 0.164 0.019 11 0 "[ . 1 . 2]" 1 82 VAL 1.130 0.051 11 0 "[ . 1 . 2]" 1 83 LYS 0.168 0.020 19 0 "[ . 1 . 2]" 1 84 GLN 0.195 0.018 13 0 "[ . 1 . 2]" 1 85 GLY 0.028 0.014 13 0 "[ . 1 . 2]" 1 86 ASN 0.397 0.026 20 0 "[ . 1 . 2]" 1 87 GLN 2.915 0.124 20 0 "[ . 1 . 2]" 1 88 LEU 7.721 0.135 12 0 "[ . 1 . 2]" 1 89 GLN 2.780 0.538 15 1 "[ . 1 + 2]" 1 90 MET 13.916 0.412 9 0 "[ . 1 . 2]" 1 91 GLN 10.109 0.711 16 2 "[ . 1 -.+ 2]" 1 92 VAL 9.615 0.667 16 2 "[ . 1 -.+ 2]" 1 93 HIS 8.463 0.353 8 0 "[ . 1 . 2]" 1 94 GLU 2.262 0.336 5 0 "[ . 1 . 2]" 1 95 GLY 0.008 0.008 20 0 "[ . 1 . 2]" 1 96 SER 1.166 0.626 11 1 "[ . 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 10 SER HB3 1 11 MET H . . 5.500 3.193 2.068 4.512 . 0 0 "[ . 1 . 2]" 1 2 1 11 MET H 1 11 MET HG2 . . 5.500 4.244 2.590 5.078 . 0 0 "[ . 1 . 2]" 1 3 1 11 MET H 1 11 MET HG3 . . 5.500 3.621 2.439 4.601 . 0 0 "[ . 1 . 2]" 1 4 1 11 MET HA 1 12 GLU H . . 3.350 2.424 2.206 2.950 . 0 0 "[ . 1 . 2]" 1 5 1 11 MET HB3 1 12 GLU H . . 5.010 3.351 2.229 4.311 . 0 0 "[ . 1 . 2]" 1 6 1 11 MET HG2 1 12 GLU H . . 5.500 3.967 2.798 5.263 . 0 0 "[ . 1 . 2]" 1 7 1 11 MET HG3 1 12 GLU H . . 5.500 3.878 2.166 5.149 . 0 0 "[ . 1 . 2]" 1 8 1 12 GLU H 1 12 GLU HB2 . . 3.730 3.112 2.198 4.061 0.331 17 0 "[ . 1 . 2]" 1 9 1 12 GLU H 1 12 GLU HB3 . . 4.170 3.474 3.010 4.050 . 0 0 "[ . 1 . 2]" 1 10 1 12 GLU H 1 12 GLU QG . . 4.150 3.325 1.955 4.062 . 0 0 "[ . 1 . 2]" 1 11 1 12 GLU H 1 13 PRO HA . . 5.500 4.929 4.393 5.506 0.006 3 0 "[ . 1 . 2]" 1 12 1 12 GLU H 1 13 PRO HD2 . . 5.130 4.924 4.758 5.023 . 0 0 "[ . 1 . 2]" 1 13 1 12 GLU H 1 13 PRO HD3 . . 4.950 4.528 3.920 4.819 . 0 0 "[ . 1 . 2]" 1 14 1 12 GLU HA 1 12 GLU QG . . 3.760 2.523 1.986 3.377 . 0 0 "[ . 1 . 2]" 1 15 1 12 GLU HA 1 13 PRO HD2 . . 2.910 2.729 2.213 2.933 0.023 1 0 "[ . 1 . 2]" 1 16 1 12 GLU HA 1 13 PRO HD3 . . 2.680 2.045 1.928 2.143 . 0 0 "[ . 1 . 2]" 1 17 1 12 GLU HA 1 13 PRO HG2 . . 5.500 4.667 4.365 4.820 . 0 0 "[ . 1 . 2]" 1 18 1 12 GLU HA 1 13 PRO HG3 . . 5.500 4.303 4.199 4.390 . 0 0 "[ . 1 . 2]" 1 19 1 12 GLU HA 1 14 GLN H . . 4.830 4.494 4.149 4.847 0.017 3 0 "[ . 1 . 2]" 1 20 1 12 GLU HB2 1 13 PRO HD2 . . 4.670 3.364 1.998 4.099 . 0 0 "[ . 1 . 2]" 1 21 1 12 GLU HB3 1 12 GLU QG . . 2.610 2.352 2.179 2.572 . 0 0 "[ . 1 . 2]" 1 22 1 12 GLU HB3 1 13 PRO HD2 . . 3.590 2.951 2.000 4.414 0.824 2 3 "[ + . * 1 - . 2]" 1 23 1 13 PRO HA 1 86 ASN HD21 . . 5.500 4.375 3.790 4.489 . 0 0 "[ . 1 . 2]" 1 24 1 13 PRO HA 1 86 ASN HD22 . . 5.500 5.415 4.587 5.526 0.026 20 0 "[ . 1 . 2]" 1 25 1 13 PRO HB2 1 14 GLN H . . 3.980 3.013 2.504 3.215 . 0 0 "[ . 1 . 2]" 1 26 1 13 PRO HB3 1 14 GLN H . . 4.120 4.058 3.767 4.173 0.053 1 0 "[ . 1 . 2]" 1 27 1 13 PRO HB3 1 33 PRO HD2 . . 4.060 3.207 2.769 5.015 0.955 2 2 "[ +- . 1 . 2]" 1 28 1 13 PRO HD2 1 14 GLN H . . 4.790 2.342 2.266 2.674 . 0 0 "[ . 1 . 2]" 1 29 1 13 PRO HD3 1 14 GLN H . . 5.370 3.738 3.681 3.953 . 0 0 "[ . 1 . 2]" 1 30 1 13 PRO HG2 1 14 GLN H . . 4.560 2.564 2.238 2.745 . 0 0 "[ . 1 . 2]" 1 31 1 13 PRO HG3 1 14 GLN H . . 5.500 3.909 3.701 4.023 . 0 0 "[ . 1 . 2]" 1 32 1 14 GLN H 1 14 GLN HB2 . . 3.470 2.737 2.488 3.574 0.104 20 0 "[ . 1 . 2]" 1 33 1 14 GLN H 1 14 GLN HB3 . . 3.960 3.526 2.635 4.025 0.065 2 0 "[ . 1 . 2]" 1 34 1 14 GLN H 1 14 GLN HE21 . . 5.240 4.285 3.220 5.230 . 0 0 "[ . 1 . 2]" 1 35 1 14 GLN H 1 14 GLN QG . . 3.690 2.145 1.919 2.930 . 0 0 "[ . 1 . 2]" 1 36 1 14 GLN H 1 15 VAL H . . 4.290 4.262 3.636 4.523 0.233 11 0 "[ . 1 . 2]" 1 37 1 14 GLN H 1 15 VAL MG2 . . 5.500 4.762 4.222 4.936 . 0 0 "[ . 1 . 2]" 1 38 1 14 GLN H 1 31 SER HA . . 5.130 2.836 2.284 3.194 . 0 0 "[ . 1 . 2]" 1 39 1 14 GLN H 1 33 PRO HD2 . . 5.260 5.186 4.343 5.315 0.055 10 0 "[ . 1 . 2]" 1 40 1 14 GLN H 1 33 PRO HD3 . . 5.500 4.347 3.443 4.540 . 0 0 "[ . 1 . 2]" 1 41 1 14 GLN HA 1 14 GLN QG . . 3.390 2.418 2.208 3.300 . 0 0 "[ . 1 . 2]" 1 42 1 14 GLN HA 1 15 VAL H . . 2.590 2.231 2.208 2.237 . 0 0 "[ . 1 . 2]" 1 43 1 14 GLN HA 1 15 VAL HA . . 4.770 4.410 4.388 4.416 . 0 0 "[ . 1 . 2]" 1 44 1 14 GLN HA 1 15 VAL HB . . 5.200 4.410 4.341 4.437 . 0 0 "[ . 1 . 2]" 1 45 1 14 GLN HA 1 15 VAL MG2 . . 4.850 4.287 4.051 4.349 . 0 0 "[ . 1 . 2]" 1 46 1 14 GLN HA 1 31 SER HA . . 3.690 1.992 1.959 2.035 . 0 0 "[ . 1 . 2]" 1 47 1 14 GLN HA 1 31 SER QB . . 4.200 3.764 3.623 3.993 . 0 0 "[ . 1 . 2]" 1 48 1 14 GLN HA 1 33 PRO HD3 . . 3.780 3.669 2.965 3.814 0.034 10 0 "[ . 1 . 2]" 1 49 1 14 GLN HB2 1 29 LEU QD . . 3.250 2.905 1.837 3.070 . 0 0 "[ . 1 . 2]" 1 50 1 14 GLN HB2 1 29 LEU HG . . 5.120 3.992 2.425 4.361 . 0 0 "[ . 1 . 2]" 1 51 1 14 GLN HB2 1 30 VAL H . . 5.500 5.368 3.822 5.549 0.049 19 0 "[ . 1 . 2]" 1 52 1 14 GLN HB2 1 31 SER HA . . 4.110 3.984 3.170 4.127 0.017 3 0 "[ . 1 . 2]" 1 53 1 14 GLN HB3 1 15 VAL H . . 3.870 3.939 3.884 4.386 0.516 20 1 "[ . 1 . +]" 1 54 1 14 GLN HB3 1 15 VAL HA . . 5.300 4.867 4.708 5.878 0.578 20 2 "[ . 1- . +]" 1 55 1 14 GLN HB3 1 29 LEU HB2 . . 5.110 4.990 4.727 6.073 0.963 11 2 "[ . 1+ . -]" 1 56 1 14 GLN HB3 1 29 LEU HB3 . . 5.020 4.925 4.630 5.786 0.766 11 2 "[ . 1+ . -]" 1 57 1 14 GLN HB3 1 29 LEU QD . . 3.580 1.969 1.830 2.809 . 0 0 "[ . 1 . 2]" 1 58 1 14 GLN HB3 1 29 LEU HG . . 5.450 2.533 2.230 3.330 . 0 0 "[ . 1 . 2]" 1 59 1 14 GLN HB3 1 30 VAL H . . 5.400 4.234 4.118 4.800 . 0 0 "[ . 1 . 2]" 1 60 1 14 GLN HB3 1 31 SER HA . . 4.000 3.634 1.996 3.988 . 0 0 "[ . 1 . 2]" 1 61 1 14 GLN HE21 1 29 LEU QD . . 5.500 3.105 2.052 4.096 . 0 0 "[ . 1 . 2]" 1 62 1 14 GLN HE21 1 31 SER HA . . 5.500 4.291 3.756 4.960 . 0 0 "[ . 1 . 2]" 1 63 1 14 GLN HE22 1 29 LEU QD . . 4.510 3.396 2.752 4.872 0.362 10 0 "[ . 1 . 2]" 1 64 1 14 GLN HE22 1 31 SER QB . . 5.500 4.547 3.671 5.499 . 0 0 "[ . 1 . 2]" 1 65 1 14 GLN QG 1 15 VAL H . . 4.240 4.275 4.216 4.493 0.253 20 0 "[ . 1 . 2]" 1 66 1 14 GLN QG 1 29 LEU QD . . 4.110 2.504 1.939 3.186 . 0 0 "[ . 1 . 2]" 1 67 1 14 GLN QG 1 29 LEU HG . . 5.500 3.175 2.724 4.669 . 0 0 "[ . 1 . 2]" 1 68 1 14 GLN QG 1 30 VAL H . . 5.500 4.575 4.349 5.568 0.068 20 0 "[ . 1 . 2]" 1 69 1 14 GLN QG 1 31 SER HA . . 3.740 2.100 1.861 3.829 0.089 11 0 "[ . 1 . 2]" 1 70 1 14 GLN QG 1 31 SER QB . . 4.390 2.372 1.970 4.407 0.017 20 0 "[ . 1 . 2]" 1 71 1 14 GLN QG 1 33 PRO HD3 . . 5.500 4.867 4.633 5.628 0.128 20 0 "[ . 1 . 2]" 1 72 1 15 VAL H 1 15 VAL HB . . 3.440 2.262 2.231 2.323 . 0 0 "[ . 1 . 2]" 1 73 1 15 VAL H 1 15 VAL MG2 . . 3.570 3.016 2.898 3.092 . 0 0 "[ . 1 . 2]" 1 74 1 15 VAL H 1 29 LEU QD . . 4.700 3.531 3.298 3.758 . 0 0 "[ . 1 . 2]" 1 75 1 15 VAL H 1 30 VAL H . . 4.120 2.334 2.184 2.499 . 0 0 "[ . 1 . 2]" 1 76 1 15 VAL H 1 30 VAL HB . . 3.940 2.844 2.773 2.916 . 0 0 "[ . 1 . 2]" 1 77 1 15 VAL H 1 30 VAL MG2 . . 4.670 3.657 3.459 3.850 . 0 0 "[ . 1 . 2]" 1 78 1 15 VAL H 1 33 PRO HD2 . . 5.500 5.269 5.131 5.476 . 0 0 "[ . 1 . 2]" 1 79 1 15 VAL H 1 33 PRO HD3 . . 4.930 3.813 3.652 3.957 . 0 0 "[ . 1 . 2]" 1 80 1 15 VAL H 1 33 PRO HG3 . . 3.920 3.069 2.842 3.331 . 0 0 "[ . 1 . 2]" 1 81 1 15 VAL HA 1 15 VAL MG1 . . 3.570 2.566 2.528 2.602 . 0 0 "[ . 1 . 2]" 1 82 1 15 VAL HA 1 15 VAL MG2 . . 3.400 2.106 2.071 2.159 . 0 0 "[ . 1 . 2]" 1 83 1 15 VAL HA 1 16 THR H . . 2.850 2.297 2.256 2.327 . 0 0 "[ . 1 . 2]" 1 84 1 15 VAL HA 1 16 THR HA . . 5.000 4.362 4.355 4.371 . 0 0 "[ . 1 . 2]" 1 85 1 15 VAL HA 1 16 THR HB . . 4.840 4.626 4.596 4.660 . 0 0 "[ . 1 . 2]" 1 86 1 15 VAL HA 1 29 LEU QD . . 4.750 3.714 3.568 3.867 . 0 0 "[ . 1 . 2]" 1 87 1 15 VAL HA 1 78 LEU MD2 . . 5.500 4.877 4.605 5.141 . 0 0 "[ . 1 . 2]" 1 88 1 15 VAL HA 1 86 ASN H . . 5.500 5.445 5.373 5.515 0.015 3 0 "[ . 1 . 2]" 1 89 1 15 VAL HA 1 86 ASN HA . . 4.330 3.463 3.362 3.554 . 0 0 "[ . 1 . 2]" 1 90 1 15 VAL HA 1 86 ASN HB2 . . 3.810 3.812 3.768 3.830 0.020 9 0 "[ . 1 . 2]" 1 91 1 15 VAL HA 1 86 ASN HB3 . . 3.280 2.705 2.630 2.854 . 0 0 "[ . 1 . 2]" 1 92 1 15 VAL HA 1 86 ASN HD21 . . 5.500 4.280 4.109 4.566 . 0 0 "[ . 1 . 2]" 1 93 1 15 VAL HA 1 87 GLN HA . . 4.730 3.812 3.680 3.897 . 0 0 "[ . 1 . 2]" 1 94 1 15 VAL HB 1 16 THR H . . 4.350 4.193 4.112 4.288 . 0 0 "[ . 1 . 2]" 1 95 1 15 VAL HB 1 30 VAL H . . 4.990 3.661 3.559 3.770 . 0 0 "[ . 1 . 2]" 1 96 1 15 VAL HB 1 30 VAL HB . . 3.630 2.755 2.655 2.799 . 0 0 "[ . 1 . 2]" 1 97 1 15 VAL HB 1 30 VAL MG1 . . 5.500 4.217 4.127 4.247 . 0 0 "[ . 1 . 2]" 1 98 1 15 VAL HB 1 30 VAL MG2 . . 3.620 3.287 3.090 3.538 . 0 0 "[ . 1 . 2]" 1 99 1 15 VAL HB 1 33 PRO QB . . 4.070 2.866 2.507 3.197 . 0 0 "[ . 1 . 2]" 1 100 1 15 VAL HB 1 33 PRO HG3 . . 3.430 2.699 2.513 2.990 . 0 0 "[ . 1 . 2]" 1 101 1 15 VAL HB 1 78 LEU MD1 . . 5.290 4.697 4.501 4.848 . 0 0 "[ . 1 . 2]" 1 102 1 15 VAL HB 1 78 LEU MD2 . . 3.960 2.776 2.493 3.053 . 0 0 "[ . 1 . 2]" 1 103 1 15 VAL HB 1 81 ALA MB . . 5.020 4.345 4.137 4.540 . 0 0 "[ . 1 . 2]" 1 104 1 15 VAL HB 1 87 GLN HA . . 5.500 5.278 5.227 5.347 . 0 0 "[ . 1 . 2]" 1 105 1 15 VAL MG1 1 16 THR H . . 3.840 2.074 1.949 2.300 . 0 0 "[ . 1 . 2]" 1 106 1 15 VAL MG1 1 16 THR HA . . 4.710 3.690 3.639 3.759 . 0 0 "[ . 1 . 2]" 1 107 1 15 VAL MG1 1 16 THR HB . . 5.440 3.980 3.900 4.066 . 0 0 "[ . 1 . 2]" 1 108 1 15 VAL MG1 1 17 LEU H . . 5.500 3.679 3.458 3.816 . 0 0 "[ . 1 . 2]" 1 109 1 15 VAL MG1 1 17 LEU HA . . 4.020 3.588 3.506 3.659 . 0 0 "[ . 1 . 2]" 1 110 1 15 VAL MG1 1 17 LEU HG . . 3.860 2.453 2.305 2.579 . 0 0 "[ . 1 . 2]" 1 111 1 15 VAL MG1 1 30 VAL H . . 5.200 4.149 4.054 4.211 . 0 0 "[ . 1 . 2]" 1 112 1 15 VAL MG1 1 30 VAL HB . . 3.770 3.793 3.774 3.835 0.065 20 0 "[ . 1 . 2]" 1 113 1 15 VAL MG1 1 33 PRO QB . . 4.120 3.668 3.570 3.913 . 0 0 "[ . 1 . 2]" 1 114 1 15 VAL MG1 1 33 PRO HG3 . . 4.490 4.152 3.965 4.408 . 0 0 "[ . 1 . 2]" 1 115 1 15 VAL MG1 1 78 LEU HA . . 5.410 3.366 3.157 3.583 . 0 0 "[ . 1 . 2]" 1 116 1 15 VAL MG1 1 81 ALA MB . . 3.300 2.222 2.041 2.413 . 0 0 "[ . 1 . 2]" 1 117 1 15 VAL MG1 1 82 VAL H . . 5.500 4.880 4.727 5.079 . 0 0 "[ . 1 . 2]" 1 118 1 15 VAL MG1 1 86 ASN H . . 5.500 5.102 5.023 5.252 . 0 0 "[ . 1 . 2]" 1 119 1 15 VAL MG1 1 86 ASN HA . . 4.420 3.823 3.738 3.967 . 0 0 "[ . 1 . 2]" 1 120 1 15 VAL MG1 1 86 ASN HB2 . . 5.500 5.039 4.898 5.132 . 0 0 "[ . 1 . 2]" 1 121 1 15 VAL MG1 1 86 ASN HB3 . . 4.880 4.439 4.344 4.546 . 0 0 "[ . 1 . 2]" 1 122 1 15 VAL MG1 1 87 GLN H . . 5.090 3.832 3.736 4.021 . 0 0 "[ . 1 . 2]" 1 123 1 15 VAL MG1 1 87 GLN HA . . 4.140 2.338 2.297 2.408 . 0 0 "[ . 1 . 2]" 1 124 1 15 VAL MG1 1 87 GLN QB . . 3.920 3.992 3.957 4.044 0.124 20 0 "[ . 1 . 2]" 1 125 1 15 VAL MG1 1 88 LEU H . . 3.930 3.402 3.331 3.510 . 0 0 "[ . 1 . 2]" 1 126 1 15 VAL MG2 1 16 THR H . . 4.080 3.659 3.612 3.696 . 0 0 "[ . 1 . 2]" 1 127 1 15 VAL MG2 1 16 THR HA . . 5.500 5.522 5.498 5.539 0.039 3 0 "[ . 1 . 2]" 1 128 1 15 VAL MG2 1 17 LEU HG . . 5.090 5.099 4.997 5.150 0.060 14 0 "[ . 1 . 2]" 1 129 1 15 VAL MG2 1 30 VAL H . . 5.500 4.764 4.686 4.860 . 0 0 "[ . 1 . 2]" 1 130 1 15 VAL MG2 1 30 VAL HB . . 4.120 4.114 3.973 4.168 0.048 11 0 "[ . 1 . 2]" 1 131 1 15 VAL MG2 1 33 PRO QB . . 3.710 3.059 2.557 3.430 . 0 0 "[ . 1 . 2]" 1 132 1 15 VAL MG2 1 33 PRO HD2 . . 5.500 4.570 4.377 4.820 . 0 0 "[ . 1 . 2]" 1 133 1 15 VAL MG2 1 33 PRO HD3 . . 5.490 4.196 4.003 4.426 . 0 0 "[ . 1 . 2]" 1 134 1 15 VAL MG2 1 33 PRO HG2 . . 4.660 2.933 2.700 3.234 . 0 0 "[ . 1 . 2]" 1 135 1 15 VAL MG2 1 33 PRO HG3 . . 4.050 2.221 2.007 2.535 . 0 0 "[ . 1 . 2]" 1 136 1 15 VAL MG2 1 78 LEU HA . . 5.220 3.663 3.306 3.882 . 0 0 "[ . 1 . 2]" 1 137 1 15 VAL MG2 1 78 LEU HB3 . . 5.280 3.681 3.490 3.868 . 0 0 "[ . 1 . 2]" 1 138 1 15 VAL MG2 1 78 LEU MD2 . . 3.590 2.486 2.224 2.777 . 0 0 "[ . 1 . 2]" 1 139 1 15 VAL MG2 1 81 ALA MB . . 3.380 2.368 2.085 2.614 . 0 0 "[ . 1 . 2]" 1 140 1 15 VAL MG2 1 82 VAL H . . 5.310 3.983 3.791 4.168 . 0 0 "[ . 1 . 2]" 1 141 1 15 VAL MG2 1 82 VAL HA . . 5.500 3.957 3.732 4.114 . 0 0 "[ . 1 . 2]" 1 142 1 15 VAL MG2 1 86 ASN H . . 5.500 4.413 4.264 4.586 . 0 0 "[ . 1 . 2]" 1 143 1 15 VAL MG2 1 86 ASN HA . . 3.890 2.675 2.570 2.808 . 0 0 "[ . 1 . 2]" 1 144 1 15 VAL MG2 1 86 ASN HB2 . . 4.870 4.371 4.310 4.438 . 0 0 "[ . 1 . 2]" 1 145 1 15 VAL MG2 1 86 ASN HB3 . . 4.160 3.041 2.959 3.125 . 0 0 "[ . 1 . 2]" 1 146 1 15 VAL MG2 1 86 ASN HD21 . . 5.130 3.365 3.171 3.771 . 0 0 "[ . 1 . 2]" 1 147 1 15 VAL MG2 1 86 ASN HD22 . . 5.200 4.814 4.590 5.197 . 0 0 "[ . 1 . 2]" 1 148 1 15 VAL MG2 1 87 GLN H . . 4.940 4.298 4.102 4.475 . 0 0 "[ . 1 . 2]" 1 149 1 15 VAL MG2 1 87 GLN HA . . 4.490 4.233 4.108 4.365 . 0 0 "[ . 1 . 2]" 1 150 1 16 THR H 1 16 THR HB . . 3.170 2.469 2.424 2.516 . 0 0 "[ . 1 . 2]" 1 151 1 16 THR H 1 16 THR MG . . 4.440 3.768 3.745 3.790 . 0 0 "[ . 1 . 2]" 1 152 1 16 THR H 1 17 LEU H . . 5.040 4.276 4.173 4.355 . 0 0 "[ . 1 . 2]" 1 153 1 16 THR H 1 17 LEU MD2 . . 4.590 4.550 4.310 4.623 0.033 10 0 "[ . 1 . 2]" 1 154 1 16 THR H 1 81 ALA MB . . 5.500 4.152 4.022 4.346 . 0 0 "[ . 1 . 2]" 1 155 1 16 THR H 1 86 ASN HA . . 5.500 4.257 4.167 4.339 . 0 0 "[ . 1 . 2]" 1 156 1 16 THR H 1 86 ASN HB2 . . 4.960 4.130 4.072 4.169 . 0 0 "[ . 1 . 2]" 1 157 1 16 THR H 1 86 ASN HB3 . . 4.420 3.975 3.878 4.099 . 0 0 "[ . 1 . 2]" 1 158 1 16 THR H 1 87 GLN H . . 5.500 4.037 3.981 4.079 . 0 0 "[ . 1 . 2]" 1 159 1 16 THR H 1 87 GLN HA . . 3.080 1.898 1.882 1.913 . 0 0 "[ . 1 . 2]" 1 160 1 16 THR H 1 87 GLN QB . . 4.700 3.116 3.047 3.207 . 0 0 "[ . 1 . 2]" 1 161 1 16 THR H 1 87 GLN HG2 . . 5.500 5.489 5.424 5.532 0.032 11 0 "[ . 1 . 2]" 1 162 1 16 THR H 1 88 LEU H . . 3.900 3.959 3.932 3.980 0.080 9 0 "[ . 1 . 2]" 1 163 1 16 THR HA 1 16 THR MG . . 3.170 2.282 2.233 2.412 . 0 0 "[ . 1 . 2]" 1 164 1 16 THR HA 1 17 LEU H . . 2.910 2.172 2.158 2.198 . 0 0 "[ . 1 . 2]" 1 165 1 16 THR HA 1 17 LEU HB2 . . 5.400 4.532 4.486 4.633 . 0 0 "[ . 1 . 2]" 1 166 1 16 THR HA 1 17 LEU HB3 . . 5.500 5.679 5.659 5.701 0.201 20 0 "[ . 1 . 2]" 1 167 1 16 THR HA 1 17 LEU HG . . 5.490 4.152 3.904 4.277 . 0 0 "[ . 1 . 2]" 1 168 1 16 THR HA 1 28 PHE H . . 4.760 4.045 3.829 4.251 . 0 0 "[ . 1 . 2]" 1 169 1 16 THR HA 1 29 LEU H . . 4.720 4.753 4.696 4.794 0.074 20 0 "[ . 1 . 2]" 1 170 1 16 THR HA 1 29 LEU QD . . 4.280 2.901 2.674 3.166 . 0 0 "[ . 1 . 2]" 1 171 1 16 THR HA 1 30 VAL H . . 4.190 4.098 3.877 4.200 0.010 10 0 "[ . 1 . 2]" 1 172 1 16 THR HA 1 30 VAL MG2 . . 5.000 4.285 4.163 4.454 . 0 0 "[ . 1 . 2]" 1 173 1 16 THR HA 1 87 GLN HA . . 5.500 4.058 4.014 4.092 . 0 0 "[ . 1 . 2]" 1 174 1 16 THR HB 1 17 LEU H . . 4.740 4.505 4.473 4.543 . 0 0 "[ . 1 . 2]" 1 175 1 16 THR HB 1 18 ASN H . . 5.500 5.052 5.019 5.096 . 0 0 "[ . 1 . 2]" 1 176 1 16 THR HB 1 18 ASN HD21 . . 5.500 4.966 4.397 5.184 . 0 0 "[ . 1 . 2]" 1 177 1 16 THR HB 1 18 ASN HD22 . . 5.050 3.618 3.220 3.853 . 0 0 "[ . 1 . 2]" 1 178 1 16 THR HB 1 29 LEU QD . . 4.760 4.409 4.264 4.587 . 0 0 "[ . 1 . 2]" 1 179 1 16 THR HB 1 87 GLN HA . . 3.690 2.434 2.348 2.490 . 0 0 "[ . 1 . 2]" 1 180 1 16 THR HB 1 87 GLN QB . . 3.550 1.852 1.831 1.873 . 0 0 "[ . 1 . 2]" 1 181 1 16 THR HB 1 87 GLN HG2 . . 4.100 4.126 4.101 4.158 0.058 11 0 "[ . 1 . 2]" 1 182 1 16 THR HB 1 87 GLN HG3 . . 4.650 4.514 4.496 4.535 . 0 0 "[ . 1 . 2]" 1 183 1 16 THR HB 1 88 LEU H . . 3.610 3.708 3.680 3.745 0.135 12 0 "[ . 1 . 2]" 1 184 1 16 THR MG 1 17 LEU H . . 3.640 3.280 3.138 3.430 . 0 0 "[ . 1 . 2]" 1 185 1 16 THR MG 1 18 ASN H . . 4.950 4.006 3.872 4.109 . 0 0 "[ . 1 . 2]" 1 186 1 16 THR MG 1 18 ASN HA . . 4.770 3.986 3.891 4.073 . 0 0 "[ . 1 . 2]" 1 187 1 16 THR MG 1 18 ASN HB2 . . 5.240 4.923 4.768 5.032 . 0 0 "[ . 1 . 2]" 1 188 1 16 THR MG 1 18 ASN HB3 . . 4.770 4.790 4.764 4.818 0.048 16 0 "[ . 1 . 2]" 1 189 1 16 THR MG 1 18 ASN HD21 . . 4.280 4.247 3.725 4.300 0.020 12 0 "[ . 1 . 2]" 1 190 1 16 THR MG 1 18 ASN HD22 . . 3.970 3.117 2.542 3.273 . 0 0 "[ . 1 . 2]" 1 191 1 16 THR MG 1 27 SER HA . . 4.670 3.836 3.765 3.939 . 0 0 "[ . 1 . 2]" 1 192 1 16 THR MG 1 27 SER HB2 . . 3.550 3.068 2.915 3.237 . 0 0 "[ . 1 . 2]" 1 193 1 16 THR MG 1 27 SER HB3 . . 3.980 4.014 3.935 4.054 0.074 17 0 "[ . 1 . 2]" 1 194 1 16 THR MG 1 28 PHE H . . 4.220 3.746 3.490 3.939 . 0 0 "[ . 1 . 2]" 1 195 1 16 THR MG 1 29 LEU H . . 5.500 4.954 4.805 5.078 . 0 0 "[ . 1 . 2]" 1 196 1 16 THR MG 1 29 LEU HA . . 4.520 4.118 3.945 4.233 . 0 0 "[ . 1 . 2]" 1 197 1 16 THR MG 1 87 GLN HA . . 4.860 3.951 3.894 4.011 . 0 0 "[ . 1 . 2]" 1 198 1 16 THR MG 1 87 GLN QB . . 4.730 2.910 2.856 2.952 . 0 0 "[ . 1 . 2]" 1 199 1 16 THR MG 1 87 GLN HG2 . . 5.230 4.817 4.776 4.836 . 0 0 "[ . 1 . 2]" 1 200 1 16 THR MG 1 87 GLN HG3 . . 5.500 5.521 5.493 5.553 0.053 10 0 "[ . 1 . 2]" 1 201 1 16 THR MG 1 88 LEU H . . 4.410 4.175 4.125 4.235 . 0 0 "[ . 1 . 2]" 1 202 1 17 LEU H 1 17 LEU HB2 . . 3.640 2.377 2.333 2.478 . 0 0 "[ . 1 . 2]" 1 203 1 17 LEU H 1 17 LEU HB3 . . 4.130 3.580 3.557 3.613 . 0 0 "[ . 1 . 2]" 1 204 1 17 LEU H 1 17 LEU MD2 . . 4.100 3.631 3.570 3.696 . 0 0 "[ . 1 . 2]" 1 205 1 17 LEU H 1 17 LEU HG . . 3.710 2.668 2.470 2.847 . 0 0 "[ . 1 . 2]" 1 206 1 17 LEU H 1 18 ASN H . . 4.910 4.228 4.199 4.260 . 0 0 "[ . 1 . 2]" 1 207 1 17 LEU H 1 27 SER HA . . 5.500 4.318 4.170 4.455 . 0 0 "[ . 1 . 2]" 1 208 1 17 LEU H 1 28 PHE H . . 3.930 2.617 2.443 2.806 . 0 0 "[ . 1 . 2]" 1 209 1 17 LEU H 1 28 PHE HB2 . . 4.620 3.526 3.431 3.647 . 0 0 "[ . 1 . 2]" 1 210 1 17 LEU H 1 28 PHE HB3 . . 5.500 4.744 4.634 4.853 . 0 0 "[ . 1 . 2]" 1 211 1 17 LEU H 1 28 PHE QD . . 5.500 4.604 4.227 4.807 . 0 0 "[ . 1 . 2]" 1 212 1 17 LEU H 1 29 LEU H . . 5.500 4.687 4.612 4.785 . 0 0 "[ . 1 . 2]" 1 213 1 17 LEU H 1 29 LEU HA . . 4.020 3.425 3.273 3.569 . 0 0 "[ . 1 . 2]" 1 214 1 17 LEU H 1 29 LEU HB2 . . 5.500 5.289 5.163 5.414 . 0 0 "[ . 1 . 2]" 1 215 1 17 LEU H 1 29 LEU QD . . 4.940 4.412 4.249 4.598 . 0 0 "[ . 1 . 2]" 1 216 1 17 LEU H 1 30 VAL MG2 . . 4.860 3.486 3.315 3.768 . 0 0 "[ . 1 . 2]" 1 217 1 17 LEU H 1 88 LEU H . . 4.890 4.690 4.627 4.757 . 0 0 "[ . 1 . 2]" 1 218 1 17 LEU HA 1 17 LEU MD2 . . 3.040 1.952 1.924 2.031 . 0 0 "[ . 1 . 2]" 1 219 1 17 LEU HA 1 17 LEU HG . . 4.110 3.071 3.043 3.129 . 0 0 "[ . 1 . 2]" 1 220 1 17 LEU HA 1 18 ASN H . . 2.810 2.220 2.217 2.223 . 0 0 "[ . 1 . 2]" 1 221 1 17 LEU HA 1 18 ASN HA . . 4.340 4.376 4.370 4.380 0.040 12 0 "[ . 1 . 2]" 1 222 1 17 LEU HA 1 19 VAL MG2 . . 4.220 4.281 4.192 4.317 0.097 11 0 "[ . 1 . 2]" 1 223 1 17 LEU HA 1 87 GLN HA . . 4.770 4.406 4.347 4.466 . 0 0 "[ . 1 . 2]" 1 224 1 17 LEU HA 1 88 LEU H . . 3.640 2.895 2.803 2.975 . 0 0 "[ . 1 . 2]" 1 225 1 17 LEU HA 1 88 LEU HB2 . . 4.360 4.365 4.294 4.395 0.035 16 0 "[ . 1 . 2]" 1 226 1 17 LEU HA 1 88 LEU HB3 . . 4.250 3.024 2.945 3.075 . 0 0 "[ . 1 . 2]" 1 227 1 17 LEU HA 1 90 MET ME . . 5.500 4.699 4.580 4.781 . 0 0 "[ . 1 . 2]" 1 228 1 17 LEU HB2 1 17 LEU MD1 . . 3.200 2.316 2.214 2.456 . 0 0 "[ . 1 . 2]" 1 229 1 17 LEU HB2 1 18 ASN H . . 4.970 4.555 4.508 4.573 . 0 0 "[ . 1 . 2]" 1 230 1 17 LEU HB2 1 19 VAL MG2 . . 3.800 3.675 3.414 3.797 . 0 0 "[ . 1 . 2]" 1 231 1 17 LEU HB2 1 27 SER HA . . 5.370 4.529 4.389 4.630 . 0 0 "[ . 1 . 2]" 1 232 1 17 LEU HB2 1 28 PHE H . . 4.390 2.758 2.645 2.876 . 0 0 "[ . 1 . 2]" 1 233 1 17 LEU HB2 1 28 PHE HB2 . . 3.590 2.022 1.974 2.096 . 0 0 "[ . 1 . 2]" 1 234 1 17 LEU HB2 1 28 PHE HB3 . . 4.000 3.654 3.546 3.735 . 0 0 "[ . 1 . 2]" 1 235 1 17 LEU HB2 1 28 PHE QD . . 3.720 3.092 2.975 3.207 . 0 0 "[ . 1 . 2]" 1 236 1 17 LEU HB3 1 17 LEU MD1 . . 3.490 2.385 2.224 2.482 . 0 0 "[ . 1 . 2]" 1 237 1 17 LEU HB3 1 17 LEU MD2 . . 3.100 2.389 2.336 2.437 . 0 0 "[ . 1 . 2]" 1 238 1 17 LEU HB3 1 18 ASN H . . 4.290 3.927 3.918 3.938 . 0 0 "[ . 1 . 2]" 1 239 1 17 LEU HB3 1 19 VAL H . . 5.500 4.882 4.733 4.980 . 0 0 "[ . 1 . 2]" 1 240 1 17 LEU HB3 1 19 VAL MG2 . . 3.350 2.914 2.792 2.963 . 0 0 "[ . 1 . 2]" 1 241 1 17 LEU HB3 1 28 PHE H . . 5.060 3.992 3.848 4.273 . 0 0 "[ . 1 . 2]" 1 242 1 17 LEU HB3 1 28 PHE HB2 . . 4.190 3.413 3.284 3.537 . 0 0 "[ . 1 . 2]" 1 243 1 17 LEU HB3 1 28 PHE HB3 . . 5.300 5.089 4.931 5.207 . 0 0 "[ . 1 . 2]" 1 244 1 17 LEU HB3 1 28 PHE QD . . 4.350 3.511 3.336 4.022 . 0 0 "[ . 1 . 2]" 1 245 1 17 LEU MD1 1 19 VAL MG2 . . 4.630 3.946 3.792 4.057 . 0 0 "[ . 1 . 2]" 1 246 1 17 LEU MD1 1 28 PHE HB2 . . 3.840 2.923 2.569 3.257 . 0 0 "[ . 1 . 2]" 1 247 1 17 LEU MD1 1 28 PHE HB3 . . 4.080 3.733 3.298 4.097 0.017 3 0 "[ . 1 . 2]" 1 248 1 17 LEU MD1 1 28 PHE QD . . 4.130 4.070 3.932 4.191 0.061 10 0 "[ . 1 . 2]" 1 249 1 17 LEU MD1 1 41 ILE HB . . 4.910 4.341 3.923 4.489 . 0 0 "[ . 1 . 2]" 1 250 1 17 LEU MD1 1 41 ILE MD . . 3.370 2.371 1.910 3.415 0.045 19 0 "[ . 1 . 2]" 1 251 1 17 LEU MD1 1 41 ILE QG . . 3.850 3.241 2.121 3.629 . 0 0 "[ . 1 . 2]" 1 252 1 17 LEU MD1 1 41 ILE MG . . 3.200 2.182 2.058 2.269 . 0 0 "[ . 1 . 2]" 1 253 1 17 LEU MD1 1 74 TYR QE . . 4.820 2.644 2.157 3.186 . 0 0 "[ . 1 . 2]" 1 254 1 17 LEU MD1 1 90 MET ME . . 4.090 2.547 2.292 2.874 . 0 0 "[ . 1 . 2]" 1 255 1 17 LEU MD2 1 18 ASN H . . 4.540 3.666 3.597 3.872 . 0 0 "[ . 1 . 2]" 1 256 1 17 LEU MD2 1 74 TYR QD . . 5.390 4.218 4.019 4.353 . 0 0 "[ . 1 . 2]" 1 257 1 17 LEU MD2 1 74 TYR QE . . 4.310 2.302 2.013 2.521 . 0 0 "[ . 1 . 2]" 1 258 1 17 LEU MD2 1 87 GLN HA . . 4.930 4.300 4.057 4.457 . 0 0 "[ . 1 . 2]" 1 259 1 17 LEU MD2 1 88 LEU H . . 3.810 3.481 3.224 3.618 . 0 0 "[ . 1 . 2]" 1 260 1 17 LEU MD2 1 88 LEU HA . . 5.300 4.583 4.343 4.709 . 0 0 "[ . 1 . 2]" 1 261 1 17 LEU MD2 1 88 LEU HB2 . . 3.510 3.095 2.895 3.212 . 0 0 "[ . 1 . 2]" 1 262 1 17 LEU MD2 1 88 LEU HB3 . . 3.310 2.134 1.961 2.243 . 0 0 "[ . 1 . 2]" 1 263 1 17 LEU MD2 1 89 GLN H . . 5.500 5.407 5.205 5.528 0.028 11 0 "[ . 1 . 2]" 1 264 1 17 LEU MD2 1 90 MET H . . 5.500 4.793 4.643 5.139 . 0 0 "[ . 1 . 2]" 1 265 1 17 LEU MD2 1 90 MET ME . . 2.980 2.592 2.396 2.775 . 0 0 "[ . 1 . 2]" 1 266 1 17 LEU MD2 1 90 MET HG2 . . 4.150 3.869 3.794 4.096 . 0 0 "[ . 1 . 2]" 1 267 1 17 LEU MD2 1 90 MET HG3 . . 4.290 3.281 3.120 3.652 . 0 0 "[ . 1 . 2]" 1 268 1 17 LEU HG 1 28 PHE HB2 . . 4.800 4.021 3.800 4.161 . 0 0 "[ . 1 . 2]" 1 269 1 17 LEU HG 1 28 PHE QD . . 5.430 5.409 5.326 5.454 0.024 11 0 "[ . 1 . 2]" 1 270 1 17 LEU HG 1 30 VAL H . . 5.500 4.412 4.226 4.601 . 0 0 "[ . 1 . 2]" 1 271 1 17 LEU HG 1 30 VAL MG2 . . 3.630 2.094 1.946 2.383 . 0 0 "[ . 1 . 2]" 1 272 1 18 ASN H 1 18 ASN HB2 . . 3.430 2.538 2.454 2.599 . 0 0 "[ . 1 . 2]" 1 273 1 18 ASN H 1 18 ASN HB3 . . 3.700 3.593 3.586 3.600 . 0 0 "[ . 1 . 2]" 1 274 1 18 ASN H 1 18 ASN HD21 . . 4.890 2.805 2.309 3.567 . 0 0 "[ . 1 . 2]" 1 275 1 18 ASN H 1 18 ASN HD22 . . 5.500 3.586 3.243 4.120 . 0 0 "[ . 1 . 2]" 1 276 1 18 ASN H 1 19 VAL H . . 5.170 4.280 4.211 4.325 . 0 0 "[ . 1 . 2]" 1 277 1 18 ASN H 1 19 VAL MG2 . . 4.590 4.205 4.153 4.248 . 0 0 "[ . 1 . 2]" 1 278 1 18 ASN H 1 88 LEU H . . 4.160 2.934 2.877 3.037 . 0 0 "[ . 1 . 2]" 1 279 1 18 ASN H 1 88 LEU HB3 . . 5.500 3.966 3.899 4.079 . 0 0 "[ . 1 . 2]" 1 280 1 18 ASN H 1 89 GLN HA . . 3.830 3.299 3.196 3.387 . 0 0 "[ . 1 . 2]" 1 281 1 18 ASN H 1 89 GLN QB . . 5.500 5.337 5.249 5.435 . 0 0 "[ . 1 . 2]" 1 282 1 18 ASN H 1 90 MET H . . 4.250 3.329 3.247 3.425 . 0 0 "[ . 1 . 2]" 1 283 1 18 ASN H 1 90 MET HG3 . . 5.450 4.053 3.967 4.180 . 0 0 "[ . 1 . 2]" 1 284 1 18 ASN HA 1 19 VAL H . . 2.800 2.282 2.268 2.311 . 0 0 "[ . 1 . 2]" 1 285 1 18 ASN HA 1 19 VAL HA . . 4.730 4.460 4.450 4.476 . 0 0 "[ . 1 . 2]" 1 286 1 18 ASN HA 1 19 VAL HB . . 4.440 4.650 4.628 4.662 0.222 12 0 "[ . 1 . 2]" 1 287 1 18 ASN HA 1 19 VAL MG2 . . 3.890 3.809 3.757 3.892 0.002 10 0 "[ . 1 . 2]" 1 288 1 18 ASN HA 1 25 ILE MG . . 4.310 4.148 4.056 4.225 . 0 0 "[ . 1 . 2]" 1 289 1 18 ASN HA 1 26 GLN H . . 5.130 4.313 4.200 4.479 . 0 0 "[ . 1 . 2]" 1 290 1 18 ASN HA 1 27 SER H . . 5.170 4.812 4.674 5.020 . 0 0 "[ . 1 . 2]" 1 291 1 18 ASN HA 1 27 SER HA . . 3.140 2.396 2.217 2.608 . 0 0 "[ . 1 . 2]" 1 292 1 18 ASN HA 1 27 SER HB2 . . 4.700 3.212 3.099 3.294 . 0 0 "[ . 1 . 2]" 1 293 1 18 ASN HA 1 27 SER HB3 . . 4.910 4.616 4.467 4.746 . 0 0 "[ . 1 . 2]" 1 294 1 18 ASN HA 1 28 PHE H . . 4.220 3.915 3.706 4.130 . 0 0 "[ . 1 . 2]" 1 295 1 18 ASN HB2 1 18 ASN HD21 . . 3.240 2.125 2.103 2.167 . 0 0 "[ . 1 . 2]" 1 296 1 18 ASN HB2 1 18 ASN HD22 . . 3.920 3.454 3.445 3.472 . 0 0 "[ . 1 . 2]" 1 297 1 18 ASN HB2 1 19 VAL H . . 4.880 4.416 4.358 4.460 . 0 0 "[ . 1 . 2]" 1 298 1 18 ASN HB2 1 88 LEU H . . 5.500 4.547 4.345 4.820 . 0 0 "[ . 1 . 2]" 1 299 1 18 ASN HB2 1 89 GLN HA . . 3.470 2.006 1.986 2.078 . 0 0 "[ . 1 . 2]" 1 300 1 18 ASN HB2 1 89 GLN QB . . 4.390 4.052 3.961 4.136 . 0 0 "[ . 1 . 2]" 1 301 1 18 ASN HB2 1 90 MET H . . 4.490 2.972 2.817 3.112 . 0 0 "[ . 1 . 2]" 1 302 1 18 ASN HB3 1 18 ASN HD21 . . 3.610 3.279 3.006 3.417 . 0 0 "[ . 1 . 2]" 1 303 1 18 ASN HB3 1 19 VAL H . . 4.550 3.893 3.837 4.012 . 0 0 "[ . 1 . 2]" 1 304 1 18 ASN HB3 1 25 ILE HG12 . . 5.500 5.311 5.012 5.455 . 0 0 "[ . 1 . 2]" 1 305 1 18 ASN HB3 1 25 ILE MG . . 3.760 3.428 3.222 3.579 . 0 0 "[ . 1 . 2]" 1 306 1 18 ASN HB3 1 89 GLN HA . . 3.970 3.647 3.565 3.763 . 0 0 "[ . 1 . 2]" 1 307 1 18 ASN HB3 1 90 MET H . . 5.100 4.256 4.106 4.399 . 0 0 "[ . 1 . 2]" 1 308 1 18 ASN HD21 1 87 GLN QB . . 4.810 3.265 2.808 3.467 . 0 0 "[ . 1 . 2]" 1 309 1 18 ASN HD21 1 88 LEU H . . 5.130 3.218 2.678 3.947 . 0 0 "[ . 1 . 2]" 1 310 1 18 ASN HD21 1 89 GLN HA . . 5.080 2.648 2.339 3.121 . 0 0 "[ . 1 . 2]" 1 311 1 18 ASN HD21 1 89 GLN QG . . 4.830 2.577 2.218 3.207 . 0 0 "[ . 1 . 2]" 1 312 1 18 ASN HD22 1 87 GLN QB . . 4.690 2.068 1.929 2.395 . 0 0 "[ . 1 . 2]" 1 313 1 18 ASN HD22 1 88 LEU H . . 5.500 3.329 2.922 4.006 . 0 0 "[ . 1 . 2]" 1 314 1 19 VAL H 1 19 VAL HB . . 3.380 2.389 2.360 2.419 . 0 0 "[ . 1 . 2]" 1 315 1 19 VAL H 1 19 VAL MG1 . . 4.670 3.735 3.722 3.750 . 0 0 "[ . 1 . 2]" 1 316 1 19 VAL H 1 19 VAL MG2 . . 3.630 2.468 2.409 2.541 . 0 0 "[ . 1 . 2]" 1 317 1 19 VAL H 1 20 THR H . . 5.410 4.464 4.380 4.555 . 0 0 "[ . 1 . 2]" 1 318 1 19 VAL H 1 25 ILE HA . . 5.200 4.943 4.812 5.120 . 0 0 "[ . 1 . 2]" 1 319 1 19 VAL H 1 25 ILE MG . . 4.560 4.184 4.041 4.274 . 0 0 "[ . 1 . 2]" 1 320 1 19 VAL H 1 26 GLN H . . 4.230 3.048 2.917 3.222 . 0 0 "[ . 1 . 2]" 1 321 1 19 VAL H 1 26 GLN HA . . 5.500 4.661 4.528 4.832 . 0 0 "[ . 1 . 2]" 1 322 1 19 VAL H 1 26 GLN HB3 . . 5.500 3.692 3.121 4.270 . 0 0 "[ . 1 . 2]" 1 323 1 19 VAL H 1 27 SER H . . 5.500 4.497 4.377 4.604 . 0 0 "[ . 1 . 2]" 1 324 1 19 VAL H 1 27 SER HA . . 3.810 3.026 2.868 3.124 . 0 0 "[ . 1 . 2]" 1 325 1 19 VAL H 1 27 SER HB2 . . 5.500 4.684 4.588 4.774 . 0 0 "[ . 1 . 2]" 1 326 1 19 VAL H 1 27 SER HB3 . . 5.500 5.516 5.390 5.549 0.049 13 0 "[ . 1 . 2]" 1 327 1 19 VAL H 1 28 PHE H . . 4.440 4.401 4.214 4.480 0.040 12 0 "[ . 1 . 2]" 1 328 1 19 VAL H 1 28 PHE QD . . 5.050 3.560 3.224 3.792 . 0 0 "[ . 1 . 2]" 1 329 1 19 VAL H 1 28 PHE QE . . 5.400 3.628 3.195 4.015 . 0 0 "[ . 1 . 2]" 1 330 1 19 VAL H 1 49 PHE HZ . . 5.500 5.225 4.910 5.363 . 0 0 "[ . 1 . 2]" 1 331 1 19 VAL H 1 90 MET H . . 5.080 4.592 4.520 4.634 . 0 0 "[ . 1 . 2]" 1 332 1 19 VAL HA 1 19 VAL MG1 . . 3.280 2.484 2.449 2.505 . 0 0 "[ . 1 . 2]" 1 333 1 19 VAL HA 1 19 VAL MG2 . . 3.370 2.425 2.412 2.439 . 0 0 "[ . 1 . 2]" 1 334 1 19 VAL HA 1 20 THR H . . 2.880 2.194 2.181 2.229 . 0 0 "[ . 1 . 2]" 1 335 1 19 VAL HA 1 20 THR HA . . 4.900 4.390 4.386 4.401 . 0 0 "[ . 1 . 2]" 1 336 1 19 VAL HA 1 20 THR HB . . 4.240 4.288 4.251 4.361 0.121 16 0 "[ . 1 . 2]" 1 337 1 19 VAL HA 1 90 MET H . . 4.280 3.237 3.126 3.348 . 0 0 "[ . 1 . 2]" 1 338 1 19 VAL HA 1 90 MET HB2 . . 3.510 2.475 2.344 2.550 . 0 0 "[ . 1 . 2]" 1 339 1 19 VAL HA 1 90 MET HB3 . . 4.200 3.671 3.551 3.797 . 0 0 "[ . 1 . 2]" 1 340 1 19 VAL HA 1 90 MET ME . . 5.500 5.448 5.378 5.517 0.017 7 0 "[ . 1 . 2]" 1 341 1 19 VAL HA 1 90 MET HG2 . . 5.500 5.448 5.331 5.511 0.011 14 0 "[ . 1 . 2]" 1 342 1 19 VAL HA 1 91 GLN H . . 5.500 4.580 4.439 4.736 . 0 0 "[ . 1 . 2]" 1 343 1 19 VAL HA 1 91 GLN HA . . 4.840 3.544 3.384 3.714 . 0 0 "[ . 1 . 2]" 1 344 1 19 VAL HB 1 20 THR H . . 4.790 4.326 4.192 4.441 . 0 0 "[ . 1 . 2]" 1 345 1 19 VAL HB 1 25 ILE HA . . 5.500 5.155 4.983 5.287 . 0 0 "[ . 1 . 2]" 1 346 1 19 VAL HB 1 26 GLN H . . 3.490 3.495 3.390 3.529 0.039 12 0 "[ . 1 . 2]" 1 347 1 19 VAL HB 1 26 GLN HB2 . . 3.930 2.930 2.713 3.343 . 0 0 "[ . 1 . 2]" 1 348 1 19 VAL HB 1 26 GLN HB3 . . 4.760 3.017 2.152 3.589 . 0 0 "[ . 1 . 2]" 1 349 1 19 VAL HB 1 27 SER HA . . 4.800 4.691 4.450 4.809 0.009 13 0 "[ . 1 . 2]" 1 350 1 19 VAL HB 1 28 PHE QD . . 4.490 3.494 3.378 3.615 . 0 0 "[ . 1 . 2]" 1 351 1 19 VAL HB 1 28 PHE QE . . 3.490 2.074 1.963 2.327 . 0 0 "[ . 1 . 2]" 1 352 1 19 VAL HB 1 28 PHE HZ . . 5.500 4.177 3.855 4.580 . 0 0 "[ . 1 . 2]" 1 353 1 19 VAL HB 1 45 VAL MG1 . . 5.500 3.486 3.093 3.800 . 0 0 "[ . 1 . 2]" 1 354 1 19 VAL HB 1 49 PHE QD . . 5.500 5.036 4.680 5.339 . 0 0 "[ . 1 . 2]" 1 355 1 19 VAL HB 1 49 PHE QE . . 3.730 2.815 2.482 3.044 . 0 0 "[ . 1 . 2]" 1 356 1 19 VAL HB 1 49 PHE HZ . . 4.000 3.623 3.158 3.727 . 0 0 "[ . 1 . 2]" 1 357 1 19 VAL HB 1 92 VAL MG2 . . 5.500 4.017 3.899 4.209 . 0 0 "[ . 1 . 2]" 1 358 1 19 VAL MG1 1 20 THR H . . 3.690 2.723 2.461 3.037 . 0 0 "[ . 1 . 2]" 1 359 1 19 VAL MG1 1 20 THR HA . . 5.140 3.686 3.560 3.825 . 0 0 "[ . 1 . 2]" 1 360 1 19 VAL MG1 1 20 THR HB . . 5.500 4.691 4.558 4.848 . 0 0 "[ . 1 . 2]" 1 361 1 19 VAL MG1 1 21 PHE H . . 5.500 3.401 3.332 3.465 . 0 0 "[ . 1 . 2]" 1 362 1 19 VAL MG1 1 21 PHE QB . . 5.430 3.028 2.921 3.119 . 0 0 "[ . 1 . 2]" 1 363 1 19 VAL MG1 1 25 ILE HA . . 5.440 4.747 4.638 4.895 . 0 0 "[ . 1 . 2]" 1 364 1 19 VAL MG1 1 26 GLN H . . 5.500 4.122 3.976 4.244 . 0 0 "[ . 1 . 2]" 1 365 1 19 VAL MG1 1 28 PHE QE . . 4.090 3.008 2.757 3.293 . 0 0 "[ . 1 . 2]" 1 366 1 19 VAL MG1 1 28 PHE HZ . . 5.500 4.261 3.851 4.555 . 0 0 "[ . 1 . 2]" 1 367 1 19 VAL MG1 1 49 PHE QD . . 3.930 3.450 3.165 3.738 . 0 0 "[ . 1 . 2]" 1 368 1 19 VAL MG1 1 49 PHE QE . . 3.550 2.110 1.942 2.659 . 0 0 "[ . 1 . 2]" 1 369 1 19 VAL MG1 1 49 PHE HZ . . 4.100 3.202 2.706 3.472 . 0 0 "[ . 1 . 2]" 1 370 1 19 VAL MG1 1 90 MET H . . 5.230 5.059 4.921 5.184 . 0 0 "[ . 1 . 2]" 1 371 1 19 VAL MG1 1 90 MET HB2 . . 3.750 3.586 3.449 3.685 . 0 0 "[ . 1 . 2]" 1 372 1 19 VAL MG1 1 90 MET HB3 . . 3.920 3.872 3.743 3.938 0.018 4 0 "[ . 1 . 2]" 1 373 1 19 VAL MG1 1 90 MET ME . . 4.840 4.911 4.885 4.929 0.089 8 0 "[ . 1 . 2]" 1 374 1 19 VAL MG1 1 91 GLN H . . 5.500 4.640 4.228 4.945 . 0 0 "[ . 1 . 2]" 1 375 1 19 VAL MG1 1 91 GLN HA . . 4.400 3.467 3.162 3.667 . 0 0 "[ . 1 . 2]" 1 376 1 19 VAL MG1 1 92 VAL H . . 4.280 2.697 2.458 2.855 . 0 0 "[ . 1 . 2]" 1 377 1 19 VAL MG1 1 92 VAL HA . . 4.280 3.643 3.454 3.908 . 0 0 "[ . 1 . 2]" 1 378 1 19 VAL MG1 1 92 VAL HB . . 4.150 2.738 2.610 2.870 . 0 0 "[ . 1 . 2]" 1 379 1 19 VAL MG1 1 92 VAL MG1 . . 3.730 3.684 3.609 3.826 0.096 14 0 "[ . 1 . 2]" 1 380 1 19 VAL MG1 1 92 VAL MG2 . . 2.870 1.741 1.684 1.857 . 0 0 "[ . 1 . 2]" 1 381 1 19 VAL MG2 1 20 THR H . . 4.490 4.108 4.030 4.172 . 0 0 "[ . 1 . 2]" 1 382 1 19 VAL MG2 1 26 GLN H . . 5.450 4.689 4.590 4.754 . 0 0 "[ . 1 . 2]" 1 383 1 19 VAL MG2 1 27 SER H . . 5.500 5.341 5.195 5.448 . 0 0 "[ . 1 . 2]" 1 384 1 19 VAL MG2 1 27 SER HA . . 4.240 4.122 3.983 4.211 . 0 0 "[ . 1 . 2]" 1 385 1 19 VAL MG2 1 28 PHE HB2 . . 4.970 3.910 3.786 4.050 . 0 0 "[ . 1 . 2]" 1 386 1 19 VAL MG2 1 28 PHE HB3 . . 5.500 5.035 4.919 5.146 . 0 0 "[ . 1 . 2]" 1 387 1 19 VAL MG2 1 28 PHE QD . . 3.300 2.262 1.975 2.806 . 0 0 "[ . 1 . 2]" 1 388 1 19 VAL MG2 1 28 PHE QE . . 3.540 2.175 1.972 2.728 . 0 0 "[ . 1 . 2]" 1 389 1 19 VAL MG2 1 28 PHE HZ . . 5.320 4.134 3.915 4.414 . 0 0 "[ . 1 . 2]" 1 390 1 19 VAL MG2 1 45 VAL MG1 . . 3.630 2.602 2.121 2.857 . 0 0 "[ . 1 . 2]" 1 391 1 19 VAL MG2 1 45 VAL MG2 . . 3.630 1.995 1.873 2.188 . 0 0 "[ . 1 . 2]" 1 392 1 19 VAL MG2 1 49 PHE QE . . 4.630 3.632 3.328 3.788 . 0 0 "[ . 1 . 2]" 1 393 1 19 VAL MG2 1 49 PHE HZ . . 5.000 4.969 4.543 5.041 0.041 13 0 "[ . 1 . 2]" 1 394 1 19 VAL MG2 1 90 MET H . . 4.240 3.925 3.802 4.073 . 0 0 "[ . 1 . 2]" 1 395 1 19 VAL MG2 1 90 MET HB2 . . 3.370 2.373 2.207 2.504 . 0 0 "[ . 1 . 2]" 1 396 1 19 VAL MG2 1 90 MET HB3 . . 3.430 3.171 2.987 3.318 . 0 0 "[ . 1 . 2]" 1 397 1 19 VAL MG2 1 90 MET ME . . 3.820 3.618 3.537 3.686 . 0 0 "[ . 1 . 2]" 1 398 1 19 VAL MG2 1 90 MET HG2 . . 4.930 4.524 4.390 4.633 . 0 0 "[ . 1 . 2]" 1 399 1 19 VAL MG2 1 90 MET HG3 . . 4.480 4.272 4.143 4.391 . 0 0 "[ . 1 . 2]" 1 400 1 19 VAL MG2 1 91 GLN H . . 5.420 5.041 4.689 5.367 . 0 0 "[ . 1 . 2]" 1 401 1 19 VAL MG2 1 91 GLN HA . . 5.500 4.878 4.639 5.119 . 0 0 "[ . 1 . 2]" 1 402 1 20 THR H 1 20 THR HB . . 3.390 2.386 2.268 2.507 . 0 0 "[ . 1 . 2]" 1 403 1 20 THR H 1 20 THR HG1 . . 5.440 3.720 3.047 4.212 . 0 0 "[ . 1 . 2]" 1 404 1 20 THR H 1 20 THR MG . . 4.290 3.701 3.611 3.770 . 0 0 "[ . 1 . 2]" 1 405 1 20 THR H 1 21 PHE H . . 3.960 4.042 3.957 4.101 0.141 5 0 "[ . 1 . 2]" 1 406 1 20 THR H 1 25 ILE MG . . 5.500 5.207 5.082 5.368 . 0 0 "[ . 1 . 2]" 1 407 1 20 THR H 1 90 MET H . . 4.890 4.329 4.081 4.477 . 0 0 "[ . 1 . 2]" 1 408 1 20 THR H 1 90 MET HB2 . . 4.940 4.171 4.038 4.300 . 0 0 "[ . 1 . 2]" 1 409 1 20 THR H 1 91 GLN H . . 5.500 4.322 4.211 4.406 . 0 0 "[ . 1 . 2]" 1 410 1 20 THR H 1 91 GLN HA . . 2.750 2.030 1.939 2.125 . 0 0 "[ . 1 . 2]" 1 411 1 20 THR H 1 91 GLN QB . . 4.490 4.157 3.993 4.259 . 0 0 "[ . 1 . 2]" 1 412 1 20 THR H 1 91 GLN HG3 . . 5.100 3.558 2.959 3.850 . 0 0 "[ . 1 . 2]" 1 413 1 20 THR H 1 92 VAL MG2 . . 5.340 4.437 3.971 4.692 . 0 0 "[ . 1 . 2]" 1 414 1 20 THR HA 1 20 THR MG . . 3.280 2.524 2.461 2.598 . 0 0 "[ . 1 . 2]" 1 415 1 20 THR HA 1 21 PHE H . . 2.770 2.208 2.189 2.215 . 0 0 "[ . 1 . 2]" 1 416 1 20 THR HA 1 21 PHE HA . . 4.380 4.380 4.368 4.389 0.009 5 0 "[ . 1 . 2]" 1 417 1 20 THR HA 1 21 PHE QB . . 5.500 4.042 4.024 4.051 . 0 0 "[ . 1 . 2]" 1 418 1 20 THR HA 1 24 GLU H . . 4.880 4.811 4.698 4.899 0.019 7 0 "[ . 1 . 2]" 1 419 1 20 THR HA 1 25 ILE H . . 4.680 4.640 4.564 4.701 0.021 13 0 "[ . 1 . 2]" 1 420 1 20 THR HA 1 25 ILE HB . . 4.930 4.923 4.802 5.012 0.082 16 0 "[ . 1 . 2]" 1 421 1 20 THR HA 1 25 ILE HG12 . . 4.380 3.417 3.176 3.840 . 0 0 "[ . 1 . 2]" 1 422 1 20 THR HA 1 25 ILE HG13 . . 4.430 3.259 2.769 3.603 . 0 0 "[ . 1 . 2]" 1 423 1 20 THR HA 1 25 ILE MG . . 4.190 3.822 3.718 3.964 . 0 0 "[ . 1 . 2]" 1 424 1 20 THR HA 1 26 GLN H . . 4.220 3.368 3.202 3.589 . 0 0 "[ . 1 . 2]" 1 425 1 20 THR HA 1 49 PHE QE . . 5.160 5.035 4.771 5.186 0.026 2 0 "[ . 1 . 2]" 1 426 1 20 THR HA 1 49 PHE HZ . . 4.850 4.373 3.972 4.667 . 0 0 "[ . 1 . 2]" 1 427 1 20 THR HB 1 21 PHE H . . 4.630 4.666 4.630 4.692 0.062 5 0 "[ . 1 . 2]" 1 428 1 20 THR HB 1 25 ILE HA . . 5.500 4.789 4.671 4.906 . 0 0 "[ . 1 . 2]" 1 429 1 20 THR HB 1 25 ILE MD . . 5.500 5.389 5.235 5.542 0.042 10 0 "[ . 1 . 2]" 1 430 1 20 THR HB 1 25 ILE HG12 . . 5.500 4.285 4.125 4.555 . 0 0 "[ . 1 . 2]" 1 431 1 20 THR HB 1 25 ILE MG . . 5.090 4.895 4.681 5.111 0.021 16 0 "[ . 1 . 2]" 1 432 1 20 THR HB 1 91 GLN H . . 5.500 5.250 4.968 5.512 0.012 9 0 "[ . 1 . 2]" 1 433 1 20 THR HB 1 91 GLN HA . . 3.760 2.949 2.556 3.276 . 0 0 "[ . 1 . 2]" 1 434 1 20 THR HB 1 91 GLN QB . . 4.690 3.962 3.720 4.157 . 0 0 "[ . 1 . 2]" 1 435 1 20 THR HB 1 91 GLN HG2 . . 4.230 2.134 1.981 3.011 . 0 0 "[ . 1 . 2]" 1 436 1 20 THR HB 1 91 GLN HG3 . . 4.660 2.705 2.301 2.981 . 0 0 "[ . 1 . 2]" 1 437 1 20 THR HB 1 92 VAL H . . 4.930 4.505 4.087 4.850 . 0 0 "[ . 1 . 2]" 1 438 1 20 THR HG1 1 25 ILE MD . . 5.500 3.875 3.459 4.348 . 0 0 "[ . 1 . 2]" 1 439 1 20 THR HG1 1 25 ILE MG . . 5.500 3.054 2.542 3.621 . 0 0 "[ . 1 . 2]" 1 440 1 20 THR MG 1 21 PHE H . . 3.720 3.389 3.290 3.534 . 0 0 "[ . 1 . 2]" 1 441 1 20 THR MG 1 22 LYS H . . 4.570 3.913 3.537 4.575 0.005 16 0 "[ . 1 . 2]" 1 442 1 20 THR MG 1 22 LYS HA . . 5.500 4.642 4.380 5.190 . 0 0 "[ . 1 . 2]" 1 443 1 20 THR MG 1 23 ASN H . . 4.790 4.779 4.640 4.857 0.067 14 0 "[ . 1 . 2]" 1 444 1 20 THR MG 1 23 ASN HA . . 3.830 3.793 3.698 3.862 0.032 13 0 "[ . 1 . 2]" 1 445 1 20 THR MG 1 24 GLU H . . 4.280 4.016 3.846 4.191 . 0 0 "[ . 1 . 2]" 1 446 1 20 THR MG 1 25 ILE HA . . 3.830 3.684 3.530 3.834 0.004 19 0 "[ . 1 . 2]" 1 447 1 20 THR MG 1 25 ILE MD . . 3.800 3.323 3.083 3.627 . 0 0 "[ . 1 . 2]" 1 448 1 20 THR MG 1 26 GLN H . . 5.500 5.172 5.001 5.305 . 0 0 "[ . 1 . 2]" 1 449 1 20 THR MG 1 91 GLN HA . . 4.320 3.935 3.684 4.269 . 0 0 "[ . 1 . 2]" 1 450 1 20 THR MG 1 91 GLN HE22 . . 5.500 5.098 4.354 6.211 0.711 16 1 "[ . 1 .+ 2]" 1 451 1 20 THR MG 1 91 GLN HG2 . . 4.460 2.518 2.169 3.286 . 0 0 "[ . 1 . 2]" 1 452 1 20 THR MG 1 91 GLN HG3 . . 4.910 3.761 3.547 4.057 . 0 0 "[ . 1 . 2]" 1 453 1 20 THR MG 1 92 VAL H . . 5.330 4.643 4.297 4.938 . 0 0 "[ . 1 . 2]" 1 454 1 21 PHE H 1 21 PHE QB . . 3.840 2.153 2.136 2.176 . 0 0 "[ . 1 . 2]" 1 455 1 21 PHE H 1 21 PHE QD . . 4.970 4.116 4.105 4.131 . 0 0 "[ . 1 . 2]" 1 456 1 21 PHE H 1 22 LYS H . . 4.610 4.335 4.227 4.549 . 0 0 "[ . 1 . 2]" 1 457 1 21 PHE H 1 24 GLU H . . 4.000 3.629 3.537 3.740 . 0 0 "[ . 1 . 2]" 1 458 1 21 PHE H 1 24 GLU HB2 . . 4.560 3.553 3.219 4.941 0.381 18 0 "[ . 1 . 2]" 1 459 1 21 PHE H 1 24 GLU HB3 . . 4.880 3.804 3.379 3.994 . 0 0 "[ . 1 . 2]" 1 460 1 21 PHE H 1 25 ILE HA . . 4.020 3.400 3.318 3.530 . 0 0 "[ . 1 . 2]" 1 461 1 21 PHE H 1 25 ILE HG13 . . 5.500 4.479 4.140 4.798 . 0 0 "[ . 1 . 2]" 1 462 1 21 PHE H 1 25 ILE MG . . 5.500 5.303 5.237 5.436 . 0 0 "[ . 1 . 2]" 1 463 1 21 PHE H 1 26 GLN H . . 4.800 4.418 4.176 4.679 . 0 0 "[ . 1 . 2]" 1 464 1 21 PHE H 1 49 PHE QD . . 5.500 5.285 5.135 5.422 . 0 0 "[ . 1 . 2]" 1 465 1 21 PHE H 1 49 PHE QE . . 4.550 3.670 3.201 4.026 . 0 0 "[ . 1 . 2]" 1 466 1 21 PHE H 1 49 PHE HZ . . 4.930 3.399 2.918 3.836 . 0 0 "[ . 1 . 2]" 1 467 1 21 PHE H 1 92 VAL HB . . 5.240 3.955 3.828 4.168 . 0 0 "[ . 1 . 2]" 1 468 1 21 PHE H 1 92 VAL MG2 . . 5.500 4.689 4.534 4.923 . 0 0 "[ . 1 . 2]" 1 469 1 21 PHE QB 1 22 LYS H . . 4.860 3.991 3.784 4.064 . 0 0 "[ . 1 . 2]" 1 470 1 21 PHE QB 1 22 LYS HE3 . . 5.060 5.077 4.512 5.860 0.800 16 4 "[ . *1 -*+ 2]" 1 471 1 21 PHE QB 1 24 GLU H . . 5.480 3.516 3.349 3.659 . 0 0 "[ . 1 . 2]" 1 472 1 21 PHE QB 1 49 PHE QD . . 3.970 3.288 3.068 3.451 . 0 0 "[ . 1 . 2]" 1 473 1 21 PHE QB 1 49 PHE QE . . 4.040 2.447 1.955 3.026 . 0 0 "[ . 1 . 2]" 1 474 1 21 PHE QB 1 49 PHE HZ . . 5.330 3.149 2.751 3.574 . 0 0 "[ . 1 . 2]" 1 475 1 21 PHE QB 1 51 LEU MD1 . . 5.500 3.922 3.764 4.197 . 0 0 "[ . 1 . 2]" 1 476 1 21 PHE QB 1 92 VAL H . . 4.260 3.661 3.398 3.966 . 0 0 "[ . 1 . 2]" 1 477 1 21 PHE QB 1 92 VAL HB . . 4.180 2.228 2.035 2.489 . 0 0 "[ . 1 . 2]" 1 478 1 21 PHE QB 1 92 VAL MG1 . . 3.510 2.766 2.659 2.895 . 0 0 "[ . 1 . 2]" 1 479 1 21 PHE QB 1 92 VAL MG2 . . 3.260 3.025 2.936 3.168 . 0 0 "[ . 1 . 2]" 1 480 1 21 PHE QD 1 22 LYS H . . 4.280 2.848 2.473 3.106 . 0 0 "[ . 1 . 2]" 1 481 1 21 PHE QD 1 22 LYS HB3 . . 5.500 5.156 5.089 5.238 . 0 0 "[ . 1 . 2]" 1 482 1 21 PHE QD 1 22 LYS HG2 . . 5.490 4.178 2.833 4.966 . 0 0 "[ . 1 . 2]" 1 483 1 21 PHE QD 1 22 LYS HG3 . . 4.660 3.177 2.605 4.142 . 0 0 "[ . 1 . 2]" 1 484 1 21 PHE QD 1 24 GLU QG . . 5.500 4.320 3.927 4.886 . 0 0 "[ . 1 . 2]" 1 485 1 21 PHE QD 1 49 PHE HB3 . . 4.780 3.401 2.943 3.852 . 0 0 "[ . 1 . 2]" 1 486 1 21 PHE QD 1 51 LEU MD1 . . 4.460 3.453 3.164 3.785 . 0 0 "[ . 1 . 2]" 1 487 1 21 PHE QD 1 51 LEU MD2 . . 4.620 4.255 3.728 4.611 . 0 0 "[ . 1 . 2]" 1 488 1 21 PHE QD 1 92 VAL H . . 4.860 4.089 3.897 4.278 . 0 0 "[ . 1 . 2]" 1 489 1 21 PHE QD 1 92 VAL HB . . 3.530 2.932 2.837 2.993 . 0 0 "[ . 1 . 2]" 1 490 1 21 PHE QD 1 92 VAL MG1 . . 3.790 1.944 1.922 1.958 . 0 0 "[ . 1 . 2]" 1 491 1 21 PHE QD 1 92 VAL MG2 . . 4.510 4.082 3.998 4.127 . 0 0 "[ . 1 . 2]" 1 492 1 21 PHE QD 1 93 HIS HA . . 4.600 4.093 3.786 4.242 . 0 0 "[ . 1 . 2]" 1 493 1 21 PHE QD 1 94 GLU H . . 5.500 4.117 4.012 4.215 . 0 0 "[ . 1 . 2]" 1 494 1 21 PHE QE 1 22 LYS H . . 5.500 4.543 3.903 4.852 . 0 0 "[ . 1 . 2]" 1 495 1 21 PHE QE 1 22 LYS HD2 . . 4.670 4.455 3.478 5.013 0.343 18 0 "[ . 1 . 2]" 1 496 1 21 PHE QE 1 22 LYS HD3 . . 5.500 3.925 3.057 4.552 . 0 0 "[ . 1 . 2]" 1 497 1 21 PHE QE 1 22 LYS HE2 . . 3.930 2.527 2.084 2.849 . 0 0 "[ . 1 . 2]" 1 498 1 21 PHE QE 1 22 LYS HE3 . . 3.850 3.212 2.076 3.963 0.113 13 0 "[ . 1 . 2]" 1 499 1 21 PHE QE 1 22 LYS HG2 . . 4.830 4.048 2.773 4.796 . 0 0 "[ . 1 . 2]" 1 500 1 21 PHE QE 1 22 LYS HG3 . . 4.370 3.068 2.625 3.488 . 0 0 "[ . 1 . 2]" 1 501 1 21 PHE QE 1 49 PHE HB3 . . 5.180 3.486 2.854 4.051 . 0 0 "[ . 1 . 2]" 1 502 1 21 PHE QE 1 51 LEU MD1 . . 4.140 3.064 2.549 3.506 . 0 0 "[ . 1 . 2]" 1 503 1 21 PHE QE 1 51 LEU MD2 . . 4.150 2.739 2.151 3.180 . 0 0 "[ . 1 . 2]" 1 504 1 21 PHE QE 1 92 VAL HB . . 4.850 4.870 4.833 4.885 0.035 20 0 "[ . 1 . 2]" 1 505 1 21 PHE QE 1 92 VAL MG1 . . 4.160 2.771 2.733 2.823 . 0 0 "[ . 1 . 2]" 1 506 1 21 PHE QE 1 93 HIS HA . . 4.210 4.052 3.730 4.249 0.039 18 0 "[ . 1 . 2]" 1 507 1 21 PHE QE 1 94 GLU H . . 4.580 2.864 2.628 3.014 . 0 0 "[ . 1 . 2]" 1 508 1 21 PHE QE 1 94 GLU HA . . 5.450 4.690 4.505 4.926 . 0 0 "[ . 1 . 2]" 1 509 1 21 PHE QE 1 94 GLU HB2 . . 4.480 2.953 2.791 3.128 . 0 0 "[ . 1 . 2]" 1 510 1 21 PHE QE 1 94 GLU HB3 . . 4.740 4.641 4.489 4.751 0.011 18 0 "[ . 1 . 2]" 1 511 1 21 PHE QE 1 94 GLU HG2 . . 4.200 4.239 3.847 4.536 0.336 5 0 "[ . 1 . 2]" 1 512 1 21 PHE QE 1 94 GLU HG3 . . 4.530 3.567 3.090 4.198 . 0 0 "[ . 1 . 2]" 1 513 1 21 PHE HZ 1 22 LYS HE3 . . 4.980 3.764 2.705 4.502 . 0 0 "[ . 1 . 2]" 1 514 1 21 PHE HZ 1 22 LYS HG3 . . 5.500 4.213 3.352 4.730 . 0 0 "[ . 1 . 2]" 1 515 1 21 PHE HZ 1 51 LEU MD1 . . 5.050 3.338 2.495 3.825 . 0 0 "[ . 1 . 2]" 1 516 1 21 PHE HZ 1 51 LEU MD2 . . 3.460 2.775 2.292 3.186 . 0 0 "[ . 1 . 2]" 1 517 1 21 PHE HZ 1 94 GLU HG2 . . 5.050 4.347 3.923 4.821 . 0 0 "[ . 1 . 2]" 1 518 1 22 LYS H 1 22 LYS HA . . 2.910 2.209 2.206 2.217 . 0 0 "[ . 1 . 2]" 1 519 1 22 LYS H 1 22 LYS HG2 . . 4.050 3.434 2.666 3.858 . 0 0 "[ . 1 . 2]" 1 520 1 22 LYS H 1 22 LYS HG3 . . 3.920 3.161 2.733 4.177 0.257 14 0 "[ . 1 . 2]" 1 521 1 22 LYS H 1 23 ASN H . . 4.840 4.227 4.191 4.261 . 0 0 "[ . 1 . 2]" 1 522 1 22 LYS H 1 24 GLU H . . 5.090 4.453 4.375 4.523 . 0 0 "[ . 1 . 2]" 1 523 1 22 LYS HA 1 22 LYS HD2 . . 5.110 4.174 3.580 4.406 . 0 0 "[ . 1 . 2]" 1 524 1 22 LYS HA 1 22 LYS HD3 . . 4.830 4.118 2.025 4.777 . 0 0 "[ . 1 . 2]" 1 525 1 22 LYS HA 1 22 LYS HE2 . . 5.500 4.555 2.924 5.508 0.008 12 0 "[ . 1 . 2]" 1 526 1 22 LYS HA 1 22 LYS HE3 . . 5.500 4.724 3.876 5.355 . 0 0 "[ . 1 . 2]" 1 527 1 22 LYS HA 1 22 LYS HG2 . . 3.270 2.541 2.290 3.143 . 0 0 "[ . 1 . 2]" 1 528 1 22 LYS HA 1 22 LYS HG3 . . 3.840 3.015 2.661 3.715 . 0 0 "[ . 1 . 2]" 1 529 1 22 LYS HA 1 23 ASN HA . . 5.430 4.486 4.469 4.513 . 0 0 "[ . 1 . 2]" 1 530 1 22 LYS HA 1 23 ASN HB2 . . 5.500 5.057 4.866 5.155 . 0 0 "[ . 1 . 2]" 1 531 1 22 LYS HA 1 23 ASN HB3 . . 5.500 5.497 5.466 5.515 0.015 20 0 "[ . 1 . 2]" 1 532 1 22 LYS HA 1 24 GLU H . . 5.060 4.660 4.626 4.694 . 0 0 "[ . 1 . 2]" 1 533 1 22 LYS HB2 1 22 LYS HD2 . . 3.580 3.162 2.627 4.192 0.612 16 4 "[ . *1 *-+ 2]" 1 534 1 22 LYS HB2 1 22 LYS HE3 . . 5.500 2.949 1.997 5.226 . 0 0 "[ . 1 . 2]" 1 535 1 22 LYS HB2 1 23 ASN H . . 3.220 2.061 1.858 2.349 . 0 0 "[ . 1 . 2]" 1 536 1 22 LYS HB2 1 23 ASN HB2 . . 4.850 4.789 4.494 5.097 0.247 18 0 "[ . 1 . 2]" 1 537 1 22 LYS HB2 1 23 ASN HB3 . . 5.320 4.210 4.038 4.577 . 0 0 "[ . 1 . 2]" 1 538 1 22 LYS HB2 1 24 GLU H . . 4.410 3.184 3.076 3.345 . 0 0 "[ . 1 . 2]" 1 539 1 22 LYS HB3 1 22 LYS HD2 . . 3.760 2.652 2.320 3.423 . 0 0 "[ . 1 . 2]" 1 540 1 22 LYS HB3 1 22 LYS HE3 . . 5.400 3.644 2.902 4.894 . 0 0 "[ . 1 . 2]" 1 541 1 22 LYS HB3 1 23 ASN H . . 3.120 2.472 2.131 2.739 . 0 0 "[ . 1 . 2]" 1 542 1 22 LYS HB3 1 24 GLU H . . 4.110 4.200 3.895 4.440 0.330 16 0 "[ . 1 . 2]" 1 543 1 22 LYS HE2 1 22 LYS HG2 . . 4.110 3.290 2.012 3.835 . 0 0 "[ . 1 . 2]" 1 544 1 22 LYS HE2 1 22 LYS HG3 . . 4.280 2.625 2.164 3.380 . 0 0 "[ . 1 . 2]" 1 545 1 22 LYS HE3 1 22 LYS HG2 . . 4.170 3.686 3.030 4.113 . 0 0 "[ . 1 . 2]" 1 546 1 22 LYS HE3 1 22 LYS HG3 . . 4.160 3.182 2.391 3.817 . 0 0 "[ . 1 . 2]" 1 547 1 22 LYS HG2 1 23 ASN H . . 4.990 4.469 4.136 4.632 . 0 0 "[ . 1 . 2]" 1 548 1 22 LYS HG3 1 23 ASN H . . 5.170 4.383 4.237 4.542 . 0 0 "[ . 1 . 2]" 1 549 1 23 ASN H 1 23 ASN HB2 . . 3.850 3.166 3.131 3.199 . 0 0 "[ . 1 . 2]" 1 550 1 23 ASN H 1 23 ASN HB3 . . 4.120 2.514 2.434 2.655 . 0 0 "[ . 1 . 2]" 1 551 1 23 ASN H 1 24 GLU H . . 3.340 1.895 1.867 1.946 . 0 0 "[ . 1 . 2]" 1 552 1 23 ASN H 1 24 GLU HB2 . . 5.140 3.786 3.353 4.345 . 0 0 "[ . 1 . 2]" 1 553 1 23 ASN HB2 1 24 GLU H . . 4.750 4.453 4.419 4.494 . 0 0 "[ . 1 . 2]" 1 554 1 23 ASN HB3 1 24 GLU H . . 4.950 3.578 3.460 3.741 . 0 0 "[ . 1 . 2]" 1 555 1 24 GLU H 1 24 GLU HB2 . . 3.310 2.355 2.198 3.115 . 0 0 "[ . 1 . 2]" 1 556 1 24 GLU H 1 24 GLU HB3 . . 3.510 3.370 2.199 3.555 0.045 19 0 "[ . 1 . 2]" 1 557 1 24 GLU H 1 24 GLU QG . . 4.000 3.319 2.729 3.754 . 0 0 "[ . 1 . 2]" 1 558 1 24 GLU HA 1 24 GLU QG . . 3.580 2.331 2.105 2.715 . 0 0 "[ . 1 . 2]" 1 559 1 24 GLU HA 1 25 ILE H . . 2.600 2.339 2.232 2.517 . 0 0 "[ . 1 . 2]" 1 560 1 24 GLU HA 1 25 ILE HA . . 4.800 4.428 4.391 4.487 . 0 0 "[ . 1 . 2]" 1 561 1 24 GLU HA 1 25 ILE HB . . 4.500 4.385 4.281 4.464 . 0 0 "[ . 1 . 2]" 1 562 1 24 GLU HA 1 25 ILE MD . . 5.040 4.165 3.435 4.546 . 0 0 "[ . 1 . 2]" 1 563 1 24 GLU HA 1 25 ILE HG13 . . 4.050 3.811 3.484 4.086 0.036 12 0 "[ . 1 . 2]" 1 564 1 24 GLU HA 1 25 ILE MG . . 5.370 5.417 5.395 5.434 0.064 2 0 "[ . 1 . 2]" 1 565 1 24 GLU HB2 1 25 ILE H . . 4.360 4.128 3.655 4.371 0.011 11 0 "[ . 1 . 2]" 1 566 1 24 GLU HB2 1 49 PHE QE . . 3.790 2.811 2.437 4.015 0.225 18 0 "[ . 1 . 2]" 1 567 1 24 GLU HB3 1 25 ILE H . . 3.470 3.107 2.455 4.191 0.721 18 2 "[ . - 1 . + 2]" 1 568 1 24 GLU HB3 1 49 PHE QD . . 5.280 4.427 4.127 4.916 . 0 0 "[ . 1 . 2]" 1 569 1 24 GLU HB3 1 49 PHE QE . . 3.980 2.375 2.025 3.310 . 0 0 "[ . 1 . 2]" 1 570 1 24 GLU QG 1 25 ILE H . . 4.080 3.534 1.897 3.945 . 0 0 "[ . 1 . 2]" 1 571 1 24 GLU QG 1 49 PHE QE . . 4.620 3.444 1.965 4.075 . 0 0 "[ . 1 . 2]" 1 572 1 25 ILE H 1 25 ILE HB . . 3.410 2.582 2.486 2.712 . 0 0 "[ . 1 . 2]" 1 573 1 25 ILE H 1 25 ILE MD . . 4.840 3.628 3.127 3.964 . 0 0 "[ . 1 . 2]" 1 574 1 25 ILE H 1 25 ILE HG12 . . 4.630 4.424 4.216 4.671 0.041 14 0 "[ . 1 . 2]" 1 575 1 25 ILE H 1 25 ILE HG13 . . 3.660 3.201 2.943 3.523 . 0 0 "[ . 1 . 2]" 1 576 1 25 ILE H 1 25 ILE MG . . 3.740 3.769 3.735 3.816 0.076 9 0 "[ . 1 . 2]" 1 577 1 25 ILE H 1 26 GLN H . . 4.930 4.354 4.196 4.452 . 0 0 "[ . 1 . 2]" 1 578 1 25 ILE H 1 49 PHE QE . . 5.380 4.845 4.462 5.180 . 0 0 "[ . 1 . 2]" 1 579 1 25 ILE HA 1 25 ILE MD . . 4.500 3.800 3.673 3.849 . 0 0 "[ . 1 . 2]" 1 580 1 25 ILE HA 1 25 ILE HG12 . . 3.750 2.824 2.668 3.074 . 0 0 "[ . 1 . 2]" 1 581 1 25 ILE HA 1 25 ILE HG13 . . 3.860 2.527 2.295 2.711 . 0 0 "[ . 1 . 2]" 1 582 1 25 ILE HA 1 25 ILE MG . . 3.420 2.505 2.483 2.541 . 0 0 "[ . 1 . 2]" 1 583 1 25 ILE HA 1 26 GLN H . . 2.790 2.214 2.181 2.240 . 0 0 "[ . 1 . 2]" 1 584 1 25 ILE HA 1 26 GLN HA . . 4.920 4.358 4.338 4.376 . 0 0 "[ . 1 . 2]" 1 585 1 25 ILE HA 1 49 PHE QE . . 5.500 4.962 4.757 5.205 . 0 0 "[ . 1 . 2]" 1 586 1 25 ILE HA 1 49 PHE HZ . . 4.480 4.131 3.915 4.462 . 0 0 "[ . 1 . 2]" 1 587 1 25 ILE HB 1 25 ILE MD . . 3.530 2.102 1.962 2.245 . 0 0 "[ . 1 . 2]" 1 588 1 25 ILE HB 1 26 GLN H . . 4.650 4.293 4.204 4.421 . 0 0 "[ . 1 . 2]" 1 589 1 25 ILE MD 1 26 GLN H . . 5.500 5.212 5.137 5.333 . 0 0 "[ . 1 . 2]" 1 590 1 25 ILE HG12 1 25 ILE MG . . 3.280 2.102 1.977 2.205 . 0 0 "[ . 1 . 2]" 1 591 1 25 ILE HG12 1 26 GLN H . . 4.550 4.440 4.296 4.595 0.045 16 0 "[ . 1 . 2]" 1 592 1 25 ILE HG13 1 26 GLN H . . 4.850 4.652 4.383 4.857 0.007 9 0 "[ . 1 . 2]" 1 593 1 25 ILE MG 1 26 GLN H . . 3.800 2.395 2.205 2.760 . 0 0 "[ . 1 . 2]" 1 594 1 25 ILE MG 1 26 GLN HA . . 4.580 3.409 3.340 3.528 . 0 0 "[ . 1 . 2]" 1 595 1 25 ILE MG 1 27 SER H . . 5.220 4.856 4.782 4.923 . 0 0 "[ . 1 . 2]" 1 596 1 25 ILE MG 1 27 SER HA . . 4.860 4.885 4.835 4.928 0.068 12 0 "[ . 1 . 2]" 1 597 1 25 ILE MG 1 27 SER HB2 . . 4.750 4.491 4.260 4.717 . 0 0 "[ . 1 . 2]" 1 598 1 25 ILE MG 1 27 SER HB3 . . 4.880 4.894 4.867 4.930 0.050 12 0 "[ . 1 . 2]" 1 599 1 26 GLN H 1 26 GLN HB2 . . 3.620 2.658 2.498 2.828 . 0 0 "[ . 1 . 2]" 1 600 1 26 GLN H 1 26 GLN HB3 . . 4.050 3.432 3.020 3.720 . 0 0 "[ . 1 . 2]" 1 601 1 26 GLN H 1 26 GLN HG3 . . 4.900 4.276 3.631 4.675 . 0 0 "[ . 1 . 2]" 1 602 1 26 GLN H 1 27 SER H . . 4.920 4.446 4.420 4.486 . 0 0 "[ . 1 . 2]" 1 603 1 26 GLN H 1 27 SER HA . . 5.500 4.700 4.636 4.804 . 0 0 "[ . 1 . 2]" 1 604 1 26 GLN H 1 28 PHE QE . . 5.500 4.743 4.080 5.215 . 0 0 "[ . 1 . 2]" 1 605 1 26 GLN H 1 49 PHE QE . . 4.850 4.592 4.190 4.776 . 0 0 "[ . 1 . 2]" 1 606 1 26 GLN H 1 49 PHE HZ . . 4.020 3.605 3.235 3.786 . 0 0 "[ . 1 . 2]" 1 607 1 26 GLN HA 1 26 GLN HG2 . . 3.870 2.442 1.970 3.595 . 0 0 "[ . 1 . 2]" 1 608 1 26 GLN HA 1 26 GLN HG3 . . 3.440 2.950 2.455 3.339 . 0 0 "[ . 1 . 2]" 1 609 1 26 GLN HA 1 27 SER H . . 2.760 2.517 2.479 2.575 . 0 0 "[ . 1 . 2]" 1 610 1 26 GLN HA 1 27 SER HA . . 5.050 4.458 4.449 4.472 . 0 0 "[ . 1 . 2]" 1 611 1 26 GLN HA 1 27 SER HB2 . . 4.920 4.755 4.613 4.870 . 0 0 "[ . 1 . 2]" 1 612 1 26 GLN HA 1 27 SER HB3 . . 4.720 4.130 4.058 4.231 . 0 0 "[ . 1 . 2]" 1 613 1 26 GLN HA 1 49 PHE HZ . . 5.500 4.538 4.376 4.750 . 0 0 "[ . 1 . 2]" 1 614 1 26 GLN HB2 1 26 GLN HG2 . . 2.900 2.856 2.544 3.054 0.154 10 0 "[ . 1 . 2]" 1 615 1 26 GLN HB2 1 27 SER H . . 4.290 3.982 3.749 4.103 . 0 0 "[ . 1 . 2]" 1 616 1 26 GLN HB2 1 28 PHE QE . . 4.390 3.197 2.406 3.708 . 0 0 "[ . 1 . 2]" 1 617 1 26 GLN HB2 1 28 PHE HZ . . 4.770 3.775 3.417 4.085 . 0 0 "[ . 1 . 2]" 1 618 1 26 GLN HB2 1 49 PHE QE . . 4.260 2.805 2.472 3.247 . 0 0 "[ . 1 . 2]" 1 619 1 26 GLN HB2 1 49 PHE HZ . . 3.790 2.005 1.982 2.137 . 0 0 "[ . 1 . 2]" 1 620 1 26 GLN HB3 1 26 GLN HG2 . . 2.960 2.682 2.368 2.912 . 0 0 "[ . 1 . 2]" 1 621 1 26 GLN HB3 1 27 SER H . . 3.570 2.713 2.327 3.182 . 0 0 "[ . 1 . 2]" 1 622 1 26 GLN HB3 1 27 SER HA . . 5.420 4.054 4.002 4.124 . 0 0 "[ . 1 . 2]" 1 623 1 26 GLN HB3 1 27 SER HB2 . . 5.500 5.586 5.543 5.686 0.186 17 0 "[ . 1 . 2]" 1 624 1 26 GLN HB3 1 27 SER HB3 . . 5.500 5.208 4.914 5.579 0.079 15 0 "[ . 1 . 2]" 1 625 1 26 GLN HB3 1 28 PHE QE . . 3.680 2.479 2.026 3.048 . 0 0 "[ . 1 . 2]" 1 626 1 26 GLN HB3 1 28 PHE HZ . . 3.850 3.112 2.845 3.366 . 0 0 "[ . 1 . 2]" 1 627 1 26 GLN HB3 1 49 PHE QE . . 4.110 3.422 2.686 4.114 0.004 18 0 "[ . 1 . 2]" 1 628 1 26 GLN HB3 1 49 PHE HZ . . 4.240 3.552 3.291 3.776 . 0 0 "[ . 1 . 2]" 1 629 1 26 GLN HE21 1 27 SER H . . 5.500 5.113 3.806 5.515 0.015 19 0 "[ . 1 . 2]" 1 630 1 26 GLN HE21 1 49 PHE HA . . 5.500 5.019 4.619 5.552 0.052 12 0 "[ . 1 . 2]" 1 631 1 26 GLN HE21 1 49 PHE QD . . 5.130 4.380 3.435 5.156 0.026 5 0 "[ . 1 . 2]" 1 632 1 26 GLN HE22 1 27 SER H . . 5.500 5.467 5.129 5.595 0.095 9 0 "[ . 1 . 2]" 1 633 1 26 GLN HE22 1 49 PHE HA . . 5.500 5.282 3.836 5.526 0.026 17 0 "[ . 1 . 2]" 1 634 1 26 GLN HG2 1 27 SER H . . 4.480 3.417 3.157 3.692 . 0 0 "[ . 1 . 2]" 1 635 1 26 GLN HG2 1 28 PHE QE . . 5.340 4.447 2.916 5.248 . 0 0 "[ . 1 . 2]" 1 636 1 26 GLN HG2 1 28 PHE HZ . . 5.500 4.201 2.016 5.230 . 0 0 "[ . 1 . 2]" 1 637 1 26 GLN HG2 1 49 PHE QE . . 4.380 4.276 3.024 4.801 0.421 8 0 "[ . 1 . 2]" 1 638 1 26 GLN HG2 1 49 PHE HZ . . 4.390 4.090 3.674 4.434 0.044 8 0 "[ . 1 . 2]" 1 639 1 26 GLN HG3 1 27 SER H . . 4.680 3.913 1.942 4.704 0.024 20 0 "[ . 1 . 2]" 1 640 1 26 GLN HG3 1 28 PHE QE . . 5.500 4.391 3.558 4.830 . 0 0 "[ . 1 . 2]" 1 641 1 26 GLN HG3 1 28 PHE HZ . . 5.190 4.142 3.369 5.118 . 0 0 "[ . 1 . 2]" 1 642 1 26 GLN HG3 1 49 PHE QE . . 4.770 3.644 2.925 4.669 . 0 0 "[ . 1 . 2]" 1 643 1 26 GLN HG3 1 49 PHE HZ . . 5.030 3.274 2.244 5.011 . 0 0 "[ . 1 . 2]" 1 644 1 27 SER H 1 27 SER HB2 . . 3.730 3.583 3.493 3.655 . 0 0 "[ . 1 . 2]" 1 645 1 27 SER H 1 27 SER HB3 . . 3.500 2.661 2.644 2.686 . 0 0 "[ . 1 . 2]" 1 646 1 27 SER H 1 28 PHE H . . 5.000 4.277 4.218 4.374 . 0 0 "[ . 1 . 2]" 1 647 1 27 SER H 1 28 PHE QD . . 5.500 4.368 3.786 4.619 . 0 0 "[ . 1 . 2]" 1 648 1 27 SER H 1 28 PHE QE . . 5.500 4.321 3.643 4.657 . 0 0 "[ . 1 . 2]" 1 649 1 27 SER H 1 28 PHE HZ . . 5.500 5.068 4.837 5.353 . 0 0 "[ . 1 . 2]" 1 650 1 27 SER HA 1 28 PHE H . . 2.840 2.259 2.231 2.343 . 0 0 "[ . 1 . 2]" 1 651 1 27 SER HA 1 28 PHE HB2 . . 5.460 4.502 4.442 4.538 . 0 0 "[ . 1 . 2]" 1 652 1 27 SER HA 1 28 PHE QD . . 4.420 3.438 2.535 3.907 . 0 0 "[ . 1 . 2]" 1 653 1 27 SER HB2 1 28 PHE H . . 3.980 3.939 3.655 4.026 0.046 15 0 "[ . 1 . 2]" 1 654 1 27 SER HB3 1 28 PHE H . . 4.700 4.404 4.265 4.504 . 0 0 "[ . 1 . 2]" 1 655 1 28 PHE H 1 28 PHE HB2 . . 3.880 2.572 2.478 2.689 . 0 0 "[ . 1 . 2]" 1 656 1 28 PHE H 1 28 PHE QD . . 3.810 2.801 2.250 3.111 . 0 0 "[ . 1 . 2]" 1 657 1 28 PHE H 1 28 PHE QE . . 5.490 4.807 4.555 4.961 . 0 0 "[ . 1 . 2]" 1 658 1 28 PHE H 1 29 LEU H . . 5.360 4.168 4.052 4.243 . 0 0 "[ . 1 . 2]" 1 659 1 28 PHE HB2 1 29 LEU H . . 4.620 4.386 4.312 4.437 . 0 0 "[ . 1 . 2]" 1 660 1 28 PHE HB2 1 30 VAL MG2 . . 4.680 3.538 3.460 3.641 . 0 0 "[ . 1 . 2]" 1 661 1 28 PHE HB2 1 44 MET ME . . 4.110 2.935 2.536 3.343 . 0 0 "[ . 1 . 2]" 1 662 1 28 PHE HB2 1 45 VAL MG2 . . 5.500 4.218 3.808 4.506 . 0 0 "[ . 1 . 2]" 1 663 1 28 PHE HB3 1 29 LEU H . . 4.050 3.713 3.539 3.752 . 0 0 "[ . 1 . 2]" 1 664 1 28 PHE HB3 1 30 VAL MG2 . . 4.940 3.506 3.344 3.613 . 0 0 "[ . 1 . 2]" 1 665 1 28 PHE HB3 1 44 MET ME . . 3.740 2.164 1.972 2.411 . 0 0 "[ . 1 . 2]" 1 666 1 28 PHE HB3 1 45 VAL MG2 . . 5.500 4.651 4.065 5.013 . 0 0 "[ . 1 . 2]" 1 667 1 28 PHE QD 1 29 LEU H . . 4.900 4.547 4.340 4.853 . 0 0 "[ . 1 . 2]" 1 668 1 28 PHE QD 1 30 VAL MG2 . . 5.500 4.866 4.772 4.944 . 0 0 "[ . 1 . 2]" 1 669 1 28 PHE QD 1 41 ILE MG . . 5.500 4.728 4.485 4.977 . 0 0 "[ . 1 . 2]" 1 670 1 28 PHE QD 1 44 MET ME . . 4.060 2.998 2.209 3.349 . 0 0 "[ . 1 . 2]" 1 671 1 28 PHE QD 1 44 MET HG2 . . 4.620 3.324 2.453 4.142 . 0 0 "[ . 1 . 2]" 1 672 1 28 PHE QD 1 44 MET HG3 . . 5.390 4.361 3.202 5.168 . 0 0 "[ . 1 . 2]" 1 673 1 28 PHE QD 1 45 VAL MG2 . . 4.440 3.216 2.842 3.519 . 0 0 "[ . 1 . 2]" 1 674 1 28 PHE QE 1 44 MET ME . . 5.000 4.318 3.996 4.473 . 0 0 "[ . 1 . 2]" 1 675 1 28 PHE QE 1 44 MET HG2 . . 4.120 3.613 3.126 4.259 0.139 3 0 "[ . 1 . 2]" 1 676 1 28 PHE QE 1 44 MET HG3 . . 5.250 4.479 3.054 5.171 . 0 0 "[ . 1 . 2]" 1 677 1 28 PHE QE 1 45 VAL H . . 5.500 5.185 4.564 5.511 0.011 11 0 "[ . 1 . 2]" 1 678 1 28 PHE QE 1 45 VAL HA . . 4.570 3.386 2.425 3.715 . 0 0 "[ . 1 . 2]" 1 679 1 28 PHE QE 1 45 VAL MG1 . . 4.470 3.209 2.769 3.579 . 0 0 "[ . 1 . 2]" 1 680 1 28 PHE QE 1 45 VAL MG2 . . 4.060 2.866 2.435 3.207 . 0 0 "[ . 1 . 2]" 1 681 1 28 PHE QE 1 48 SER H . . 5.500 4.854 3.936 5.425 . 0 0 "[ . 1 . 2]" 1 682 1 28 PHE QE 1 48 SER HB2 . . 4.420 3.017 2.018 3.925 . 0 0 "[ . 1 . 2]" 1 683 1 28 PHE QE 1 48 SER HB3 . . 4.490 3.240 2.361 3.785 . 0 0 "[ . 1 . 2]" 1 684 1 28 PHE HZ 1 44 MET ME . . 5.500 5.490 5.414 5.525 0.025 3 0 "[ . 1 . 2]" 1 685 1 28 PHE HZ 1 45 VAL HA . . 3.930 3.194 2.785 3.713 . 0 0 "[ . 1 . 2]" 1 686 1 28 PHE HZ 1 45 VAL MG1 . . 5.120 3.676 2.848 4.422 . 0 0 "[ . 1 . 2]" 1 687 1 28 PHE HZ 1 45 VAL MG2 . . 4.880 3.800 3.262 4.573 . 0 0 "[ . 1 . 2]" 1 688 1 28 PHE HZ 1 48 SER H . . 5.500 5.043 4.547 5.537 0.037 10 0 "[ . 1 . 2]" 1 689 1 28 PHE HZ 1 48 SER HB2 . . 4.000 3.046 2.526 3.510 . 0 0 "[ . 1 . 2]" 1 690 1 28 PHE HZ 1 48 SER HB3 . . 3.920 2.403 2.066 2.936 . 0 0 "[ . 1 . 2]" 1 691 1 28 PHE HZ 1 49 PHE QD . . 4.660 3.694 2.917 4.458 . 0 0 "[ . 1 . 2]" 1 692 1 28 PHE HZ 1 49 PHE QE . . 3.870 2.914 2.288 3.553 . 0 0 "[ . 1 . 2]" 1 693 1 28 PHE HZ 1 49 PHE HZ . . 5.500 4.528 4.050 4.885 . 0 0 "[ . 1 . 2]" 1 694 1 29 LEU H 1 29 LEU HB2 . . 3.440 2.439 2.347 2.558 . 0 0 "[ . 1 . 2]" 1 695 1 29 LEU H 1 29 LEU HB3 . . 3.500 2.542 2.404 2.624 . 0 0 "[ . 1 . 2]" 1 696 1 29 LEU H 1 29 LEU QD . . 4.590 3.663 3.609 3.707 . 0 0 "[ . 1 . 2]" 1 697 1 29 LEU H 1 29 LEU HG . . 4.430 4.448 4.389 4.471 0.041 10 0 "[ . 1 . 2]" 1 698 1 29 LEU H 1 30 VAL H . . 5.270 4.594 4.570 4.614 . 0 0 "[ . 1 . 2]" 1 699 1 29 LEU H 1 30 VAL MG2 . . 5.340 4.193 4.103 4.294 . 0 0 "[ . 1 . 2]" 1 700 1 29 LEU H 1 44 MET ME . . 5.500 5.129 4.841 5.355 . 0 0 "[ . 1 . 2]" 1 701 1 29 LEU HA 1 29 LEU QD . . 3.390 2.276 2.145 2.437 . 0 0 "[ . 1 . 2]" 1 702 1 29 LEU HA 1 30 VAL H . . 2.860 2.226 2.209 2.248 . 0 0 "[ . 1 . 2]" 1 703 1 29 LEU HA 1 30 VAL HA . . 5.210 4.383 4.375 4.393 . 0 0 "[ . 1 . 2]" 1 704 1 29 LEU HA 1 30 VAL HB . . 5.080 4.783 4.712 4.854 . 0 0 "[ . 1 . 2]" 1 705 1 29 LEU HA 1 30 VAL MG1 . . 5.500 5.330 5.298 5.374 . 0 0 "[ . 1 . 2]" 1 706 1 29 LEU HA 1 30 VAL MG2 . . 4.550 3.239 3.173 3.368 . 0 0 "[ . 1 . 2]" 1 707 1 29 LEU HB2 1 30 VAL H . . 4.570 4.305 4.239 4.368 . 0 0 "[ . 1 . 2]" 1 708 1 29 LEU HB3 1 30 VAL H . . 4.780 4.072 4.013 4.225 . 0 0 "[ . 1 . 2]" 1 709 1 29 LEU HB3 1 30 VAL MG2 . . 4.930 4.791 4.732 4.940 0.010 11 0 "[ . 1 . 2]" 1 710 1 29 LEU QD 1 30 VAL H . . 4.110 2.985 2.781 3.204 . 0 0 "[ . 1 . 2]" 1 711 1 29 LEU QD 1 31 SER HA . . 4.600 3.979 3.753 4.187 . 0 0 "[ . 1 . 2]" 1 712 1 29 LEU QD 1 31 SER QB . . 4.600 3.386 3.176 3.611 . 0 0 "[ . 1 . 2]" 1 713 1 29 LEU HG 1 30 VAL H . . 4.760 2.636 2.501 2.791 . 0 0 "[ . 1 . 2]" 1 714 1 30 VAL H 1 30 VAL HB . . 3.530 2.811 2.714 2.865 . 0 0 "[ . 1 . 2]" 1 715 1 30 VAL H 1 30 VAL MG1 . . 4.630 3.899 3.872 3.920 . 0 0 "[ . 1 . 2]" 1 716 1 30 VAL H 1 30 VAL MG2 . . 3.480 2.547 2.457 2.611 . 0 0 "[ . 1 . 2]" 1 717 1 30 VAL H 1 31 SER H . . 5.360 3.890 3.826 3.966 . 0 0 "[ . 1 . 2]" 1 718 1 30 VAL HA 1 30 VAL MG1 . . 2.830 2.260 2.106 2.324 . 0 0 "[ . 1 . 2]" 1 719 1 30 VAL HA 1 30 VAL MG2 . . 3.370 2.539 2.464 2.588 . 0 0 "[ . 1 . 2]" 1 720 1 30 VAL HA 1 31 SER H . . 2.930 2.259 2.231 2.296 . 0 0 "[ . 1 . 2]" 1 721 1 30 VAL HA 1 31 SER HA . . 4.490 4.420 4.396 4.449 . 0 0 "[ . 1 . 2]" 1 722 1 30 VAL HA 1 31 SER QB . . 4.320 4.197 4.125 4.327 0.007 19 0 "[ . 1 . 2]" 1 723 1 30 VAL HA 1 32 ASP H . . 4.560 3.135 3.083 3.234 . 0 0 "[ . 1 . 2]" 1 724 1 30 VAL HA 1 36 THR MG . . 5.260 4.699 4.577 4.885 . 0 0 "[ . 1 . 2]" 1 725 1 30 VAL HA 1 44 MET ME . . 5.060 4.702 4.441 4.862 . 0 0 "[ . 1 . 2]" 1 726 1 30 VAL HB 1 31 SER H . . 4.390 4.423 4.395 4.481 0.091 11 0 "[ . 1 . 2]" 1 727 1 30 VAL HB 1 33 PRO HG3 . . 4.570 3.247 2.969 3.786 . 0 0 "[ . 1 . 2]" 1 728 1 30 VAL HB 1 36 THR MG . . 4.810 4.239 4.068 4.381 . 0 0 "[ . 1 . 2]" 1 729 1 30 VAL HB 1 41 ILE MD . . 5.020 4.459 4.076 5.020 . 0 0 "[ . 1 . 2]" 1 730 1 30 VAL MG1 1 31 SER H . . 4.010 3.438 3.307 3.547 . 0 0 "[ . 1 . 2]" 1 731 1 30 VAL MG1 1 31 SER HA . . 4.740 4.668 4.589 4.775 0.035 6 0 "[ . 1 . 2]" 1 732 1 30 VAL MG1 1 31 SER QB . . 5.120 4.706 4.551 4.997 . 0 0 "[ . 1 . 2]" 1 733 1 30 VAL MG1 1 32 ASP H . . 3.660 2.214 2.064 2.503 . 0 0 "[ . 1 . 2]" 1 734 1 30 VAL MG1 1 32 ASP HA . . 4.650 4.117 3.991 4.317 . 0 0 "[ . 1 . 2]" 1 735 1 30 VAL MG1 1 33 PRO HA . . 3.300 1.983 1.937 2.070 . 0 0 "[ . 1 . 2]" 1 736 1 30 VAL MG1 1 33 PRO QB . . 3.520 2.599 2.338 2.943 . 0 0 "[ . 1 . 2]" 1 737 1 30 VAL MG1 1 33 PRO HD2 . . 4.950 4.282 4.109 4.464 . 0 0 "[ . 1 . 2]" 1 738 1 30 VAL MG1 1 33 PRO HD3 . . 4.370 3.327 3.105 3.570 . 0 0 "[ . 1 . 2]" 1 739 1 30 VAL MG1 1 33 PRO HG2 . . 5.340 4.611 4.393 4.886 . 0 0 "[ . 1 . 2]" 1 740 1 30 VAL MG1 1 33 PRO HG3 . . 4.270 3.863 3.617 4.184 . 0 0 "[ . 1 . 2]" 1 741 1 30 VAL MG1 1 34 GLU H . . 5.500 4.507 4.271 4.873 . 0 0 "[ . 1 . 2]" 1 742 1 30 VAL MG1 1 36 THR H . . 5.500 4.052 3.854 4.247 . 0 0 "[ . 1 . 2]" 1 743 1 30 VAL MG1 1 36 THR HB . . 3.770 3.114 2.878 3.241 . 0 0 "[ . 1 . 2]" 1 744 1 30 VAL MG1 1 36 THR MG . . 3.280 1.977 1.842 2.093 . 0 0 "[ . 1 . 2]" 1 745 1 30 VAL MG1 1 41 ILE MD . . 3.260 2.465 1.942 3.021 . 0 0 "[ . 1 . 2]" 1 746 1 30 VAL MG1 1 44 MET ME . . 3.570 3.564 3.457 3.604 0.034 3 0 "[ . 1 . 2]" 1 747 1 30 VAL MG1 1 74 TYR QE . . 5.040 3.529 3.346 3.767 . 0 0 "[ . 1 . 2]" 1 748 1 30 VAL MG2 1 31 SER H . . 4.970 4.397 4.371 4.421 . 0 0 "[ . 1 . 2]" 1 749 1 30 VAL MG2 1 32 ASP H . . 4.900 4.631 4.562 4.773 . 0 0 "[ . 1 . 2]" 1 750 1 30 VAL MG2 1 36 THR HB . . 5.500 5.395 5.110 5.516 0.016 17 0 "[ . 1 . 2]" 1 751 1 30 VAL MG2 1 36 THR MG . . 3.920 3.597 3.284 3.731 . 0 0 "[ . 1 . 2]" 1 752 1 30 VAL MG2 1 41 ILE MD . . 3.550 2.562 2.152 3.555 0.005 6 0 "[ . 1 . 2]" 1 753 1 30 VAL MG2 1 41 ILE MG . . 5.170 3.793 3.561 4.053 . 0 0 "[ . 1 . 2]" 1 754 1 30 VAL MG2 1 44 MET ME . . 4.200 2.926 2.546 3.261 . 0 0 "[ . 1 . 2]" 1 755 1 30 VAL MG2 1 74 TYR QE . . 5.500 4.081 3.877 4.263 . 0 0 "[ . 1 . 2]" 1 756 1 31 SER H 1 31 SER QB . . 3.350 2.201 2.085 2.238 . 0 0 "[ . 1 . 2]" 1 757 1 31 SER H 1 32 ASP H . . 4.330 2.587 2.533 2.682 . 0 0 "[ . 1 . 2]" 1 758 1 31 SER HA 1 32 ASP H . . 3.410 3.416 3.369 3.485 0.075 14 0 "[ . 1 . 2]" 1 759 1 31 SER HA 1 33 PRO HD2 . . 5.040 4.823 4.631 5.064 0.024 20 0 "[ . 1 . 2]" 1 760 1 31 SER HA 1 33 PRO HD3 . . 4.430 3.412 3.248 3.620 . 0 0 "[ . 1 . 2]" 1 761 1 31 SER QB 1 32 ASP H . . 3.970 3.411 3.075 3.840 . 0 0 "[ . 1 . 2]" 1 762 1 32 ASP H 1 32 ASP HB3 . . 4.180 3.585 3.232 3.907 . 0 0 "[ . 1 . 2]" 1 763 1 32 ASP H 1 33 PRO HA . . 4.300 4.229 4.182 4.327 0.027 11 0 "[ . 1 . 2]" 1 764 1 32 ASP H 1 33 PRO HD2 . . 4.180 4.045 3.946 4.169 . 0 0 "[ . 1 . 2]" 1 765 1 32 ASP H 1 33 PRO HD3 . . 4.000 2.815 2.686 2.982 . 0 0 "[ . 1 . 2]" 1 766 1 32 ASP H 1 36 THR H . . 5.170 4.856 4.703 5.051 . 0 0 "[ . 1 . 2]" 1 767 1 32 ASP H 1 36 THR HB . . 4.380 4.305 4.090 4.415 0.035 14 0 "[ . 1 . 2]" 1 768 1 32 ASP H 1 36 THR MG . . 4.370 4.348 4.223 4.457 0.087 20 0 "[ . 1 . 2]" 1 769 1 32 ASP HB2 1 33 PRO HD2 . . 4.450 4.725 4.378 5.070 0.620 6 5 "[ ** *+ -1 . 2]" 1 770 1 32 ASP HB2 1 33 PRO HD3 . . 4.770 4.765 4.706 4.819 0.049 17 0 "[ . 1 . 2]" 1 771 1 32 ASP HB2 1 34 GLU H . . 5.500 4.305 3.431 5.505 0.005 11 0 "[ . 1 . 2]" 1 772 1 32 ASP HB3 1 33 PRO HD2 . . 5.100 4.645 4.455 4.851 . 0 0 "[ . 1 . 2]" 1 773 1 32 ASP HB3 1 33 PRO HD3 . . 5.500 4.735 4.676 4.792 . 0 0 "[ . 1 . 2]" 1 774 1 32 ASP HB3 1 34 GLU H . . 5.500 4.622 3.790 5.215 . 0 0 "[ . 1 . 2]" 1 775 1 32 ASP HB3 1 35 ASN H . . 5.500 3.645 2.566 4.466 . 0 0 "[ . 1 . 2]" 1 776 1 33 PRO HA 1 35 ASN H . . 4.960 4.245 3.504 4.784 . 0 0 "[ . 1 . 2]" 1 777 1 33 PRO HA 1 36 THR H . . 4.500 3.887 3.578 4.080 . 0 0 "[ . 1 . 2]" 1 778 1 33 PRO HA 1 36 THR HB . . 4.050 3.942 3.700 4.094 0.044 11 0 "[ . 1 . 2]" 1 779 1 33 PRO HA 1 36 THR MG . . 3.750 2.338 2.103 2.568 . 0 0 "[ . 1 . 2]" 1 780 1 33 PRO HA 1 78 LEU MD1 . . 4.990 2.617 2.285 2.877 . 0 0 "[ . 1 . 2]" 1 781 1 33 PRO HA 1 78 LEU MD2 . . 5.500 3.401 2.988 3.600 . 0 0 "[ . 1 . 2]" 1 782 1 33 PRO QB 1 34 GLU H . . 4.300 3.519 2.992 3.749 . 0 0 "[ . 1 . 2]" 1 783 1 33 PRO QB 1 34 GLU HA . . 5.050 4.132 3.967 4.227 . 0 0 "[ . 1 . 2]" 1 784 1 33 PRO QB 1 78 LEU HB3 . . 5.040 2.736 2.494 3.079 . 0 0 "[ . 1 . 2]" 1 785 1 33 PRO QB 1 78 LEU MD1 . . 3.420 1.820 1.774 1.912 . 0 0 "[ . 1 . 2]" 1 786 1 33 PRO QB 1 78 LEU MD2 . . 3.640 1.774 1.651 1.834 . 0 0 "[ . 1 . 2]" 1 787 1 33 PRO HD2 1 34 GLU H . . 4.210 2.407 2.254 2.642 . 0 0 "[ . 1 . 2]" 1 788 1 33 PRO HD2 1 35 ASN H . . 5.500 4.087 3.886 4.548 . 0 0 "[ . 1 . 2]" 1 789 1 33 PRO HD2 1 78 LEU MD1 . . 5.500 4.823 4.764 4.899 . 0 0 "[ . 1 . 2]" 1 790 1 33 PRO HD3 1 34 GLU H . . 4.750 3.702 3.655 3.795 . 0 0 "[ . 1 . 2]" 1 791 1 33 PRO HD3 1 78 LEU MD1 . . 5.030 5.098 5.038 5.162 0.132 20 0 "[ . 1 . 2]" 1 792 1 33 PRO HD3 1 78 LEU MD2 . . 5.500 4.812 4.587 5.045 . 0 0 "[ . 1 . 2]" 1 793 1 33 PRO HG2 1 34 GLU H . . 4.490 3.350 2.607 3.774 . 0 0 "[ . 1 . 2]" 1 794 1 33 PRO HG2 1 78 LEU MD1 . . 4.670 3.691 3.548 3.917 . 0 0 "[ . 1 . 2]" 1 795 1 33 PRO HG2 1 78 LEU MD2 . . 4.890 3.449 3.199 3.723 . 0 0 "[ . 1 . 2]" 1 796 1 33 PRO HG3 1 34 GLU H . . 5.060 4.415 3.937 4.699 . 0 0 "[ . 1 . 2]" 1 797 1 33 PRO HG3 1 78 LEU MD1 . . 4.420 4.153 4.103 4.300 . 0 0 "[ . 1 . 2]" 1 798 1 33 PRO HG3 1 78 LEU MD2 . . 4.510 3.197 2.949 3.444 . 0 0 "[ . 1 . 2]" 1 799 1 34 GLU H 1 34 GLU HB2 . . 3.570 2.432 2.176 3.521 . 0 0 "[ . 1 . 2]" 1 800 1 34 GLU H 1 34 GLU HB3 . . 3.700 3.514 3.216 3.636 . 0 0 "[ . 1 . 2]" 1 801 1 34 GLU H 1 34 GLU HG2 . . 4.050 3.319 1.938 4.001 . 0 0 "[ . 1 . 2]" 1 802 1 34 GLU H 1 34 GLU HG3 . . 3.830 3.087 2.086 3.699 . 0 0 "[ . 1 . 2]" 1 803 1 34 GLU H 1 35 ASN H . . 3.440 2.216 1.972 2.685 . 0 0 "[ . 1 . 2]" 1 804 1 34 GLU H 1 35 ASN HA . . 5.500 4.797 4.605 5.006 . 0 0 "[ . 1 . 2]" 1 805 1 34 GLU H 1 35 ASN HB2 . . 5.500 4.296 3.819 5.034 . 0 0 "[ . 1 . 2]" 1 806 1 34 GLU H 1 35 ASN HB3 . . 5.500 4.750 4.059 5.417 . 0 0 "[ . 1 . 2]" 1 807 1 34 GLU H 1 36 THR H . . 5.060 3.970 3.484 4.567 . 0 0 "[ . 1 . 2]" 1 808 1 34 GLU H 1 78 LEU MD1 . . 5.500 4.020 3.457 4.181 . 0 0 "[ . 1 . 2]" 1 809 1 34 GLU HA 1 34 GLU HG2 . . 3.510 2.396 2.005 3.586 0.076 14 0 "[ . 1 . 2]" 1 810 1 34 GLU HA 1 34 GLU HG3 . . 3.780 3.333 2.542 3.733 . 0 0 "[ . 1 . 2]" 1 811 1 34 GLU HA 1 35 ASN HA . . 5.500 4.663 4.452 4.755 . 0 0 "[ . 1 . 2]" 1 812 1 34 GLU HA 1 36 THR H . . 5.120 4.923 4.383 5.133 0.013 7 0 "[ . 1 . 2]" 1 813 1 34 GLU HA 1 78 LEU MD1 . . 4.370 3.305 2.863 3.504 . 0 0 "[ . 1 . 2]" 1 814 1 34 GLU HA 1 78 LEU MD2 . . 5.500 5.485 5.129 5.563 0.063 20 0 "[ . 1 . 2]" 1 815 1 34 GLU HB2 1 34 GLU HG2 . . 2.910 2.943 2.740 3.054 0.144 12 0 "[ . 1 . 2]" 1 816 1 34 GLU HB2 1 34 GLU HG3 . . 2.710 2.365 2.284 2.762 0.052 6 0 "[ . 1 . 2]" 1 817 1 34 GLU HB2 1 35 ASN H . . 3.910 3.130 2.539 3.909 . 0 0 "[ . 1 . 2]" 1 818 1 34 GLU HB3 1 34 GLU HG2 . . 2.760 2.739 2.307 2.995 0.235 13 0 "[ . 1 . 2]" 1 819 1 34 GLU HB3 1 35 ASN H . . 4.480 3.833 3.196 4.460 . 0 0 "[ . 1 . 2]" 1 820 1 34 GLU HG3 1 35 ASN H . . 5.060 4.632 2.589 5.061 0.001 13 0 "[ . 1 . 2]" 1 821 1 35 ASN H 1 35 ASN HB2 . . 3.430 2.403 2.057 2.980 . 0 0 "[ . 1 . 2]" 1 822 1 35 ASN H 1 35 ASN HB3 . . 4.100 2.747 2.219 3.334 . 0 0 "[ . 1 . 2]" 1 823 1 35 ASN H 1 35 ASN HD21 . . 4.700 3.884 3.764 4.492 . 0 0 "[ . 1 . 2]" 1 824 1 35 ASN H 1 35 ASN HD22 . . 5.280 5.306 5.200 5.410 0.130 20 0 "[ . 1 . 2]" 1 825 1 35 ASN H 1 36 THR H . . 3.280 2.484 2.148 2.711 . 0 0 "[ . 1 . 2]" 1 826 1 35 ASN H 1 36 THR HA . . 5.500 5.053 4.681 5.260 . 0 0 "[ . 1 . 2]" 1 827 1 35 ASN H 1 36 THR HB . . 4.580 4.404 4.119 4.620 0.040 20 0 "[ . 1 . 2]" 1 828 1 35 ASN H 1 36 THR MG . . 4.520 4.151 3.559 4.426 . 0 0 "[ . 1 . 2]" 1 829 1 35 ASN HB2 1 35 ASN HD21 . . 3.400 2.749 2.156 3.567 0.167 5 0 "[ . 1 . 2]" 1 830 1 35 ASN HB2 1 36 THR H . . 4.510 3.397 2.703 3.906 . 0 0 "[ . 1 . 2]" 1 831 1 35 ASN HB3 1 36 THR H . . 4.500 2.423 2.228 2.937 . 0 0 "[ . 1 . 2]" 1 832 1 36 THR H 1 36 THR HB . . 3.530 2.114 2.053 2.262 . 0 0 "[ . 1 . 2]" 1 833 1 36 THR H 1 36 THR HG1 . . 5.500 4.173 3.823 4.367 . 0 0 "[ . 1 . 2]" 1 834 1 36 THR H 1 36 THR MG . . 4.010 2.728 2.555 2.847 . 0 0 "[ . 1 . 2]" 1 835 1 36 THR H 1 37 THR H . . 5.160 4.650 4.613 4.671 . 0 0 "[ . 1 . 2]" 1 836 1 36 THR H 1 41 ILE MD . . 5.500 5.448 4.930 5.564 0.064 10 0 "[ . 1 . 2]" 1 837 1 36 THR H 1 78 LEU MD1 . . 5.500 5.333 4.821 5.538 0.038 20 0 "[ . 1 . 2]" 1 838 1 36 THR HA 1 36 THR MG . . 3.230 3.179 3.159 3.199 . 0 0 "[ . 1 . 2]" 1 839 1 36 THR HA 1 37 THR H . . 2.850 2.470 2.409 2.605 . 0 0 "[ . 1 . 2]" 1 840 1 36 THR HA 1 40 ASP HB2 . . 4.530 4.263 3.975 4.458 . 0 0 "[ . 1 . 2]" 1 841 1 36 THR HA 1 40 ASP HB3 . . 5.400 4.939 4.572 5.253 . 0 0 "[ . 1 . 2]" 1 842 1 36 THR HB 1 37 THR H . . 4.010 4.050 3.878 4.112 0.102 13 0 "[ . 1 . 2]" 1 843 1 36 THR HB 1 40 ASP HB2 . . 5.250 5.219 5.043 5.278 0.028 19 0 "[ . 1 . 2]" 1 844 1 36 THR HB 1 41 ILE MD . . 4.440 4.149 3.815 4.318 . 0 0 "[ . 1 . 2]" 1 845 1 36 THR HB 1 41 ILE QG . . 5.380 5.180 4.967 5.493 0.113 20 0 "[ . 1 . 2]" 1 846 1 36 THR HB 1 74 TYR QE . . 5.500 4.945 4.642 5.197 . 0 0 "[ . 1 . 2]" 1 847 1 36 THR MG 1 37 THR H . . 3.850 2.855 2.453 3.112 . 0 0 "[ . 1 . 2]" 1 848 1 36 THR MG 1 40 ASP H . . 5.500 4.612 4.395 4.739 . 0 0 "[ . 1 . 2]" 1 849 1 36 THR MG 1 40 ASP HB2 . . 3.550 3.541 3.282 3.586 0.036 4 0 "[ . 1 . 2]" 1 850 1 36 THR MG 1 40 ASP HB3 . . 3.720 3.691 3.621 3.738 0.018 19 0 "[ . 1 . 2]" 1 851 1 36 THR MG 1 41 ILE MD . . 3.430 2.047 1.671 2.243 . 0 0 "[ . 1 . 2]" 1 852 1 36 THR MG 1 41 ILE MG . . 5.150 4.462 4.310 4.787 . 0 0 "[ . 1 . 2]" 1 853 1 36 THR MG 1 74 TYR QD . . 5.500 3.771 3.534 3.959 . 0 0 "[ . 1 . 2]" 1 854 1 36 THR MG 1 74 TYR QE . . 4.810 2.201 1.962 2.424 . 0 0 "[ . 1 . 2]" 1 855 1 36 THR MG 1 78 LEU MD1 . . 4.800 3.342 3.138 3.555 . 0 0 "[ . 1 . 2]" 1 856 1 37 THR H 1 37 THR HB . . 3.860 3.682 3.591 3.751 . 0 0 "[ . 1 . 2]" 1 857 1 37 THR H 1 37 THR MG . . 3.260 2.618 2.257 3.092 . 0 0 "[ . 1 . 2]" 1 858 1 37 THR H 1 38 TRP H . . 5.500 4.514 4.439 4.552 . 0 0 "[ . 1 . 2]" 1 859 1 37 THR H 1 39 ALA H . . 5.500 4.972 4.762 5.098 . 0 0 "[ . 1 . 2]" 1 860 1 37 THR H 1 39 ALA MB . . 5.500 5.027 4.883 5.112 . 0 0 "[ . 1 . 2]" 1 861 1 37 THR H 1 40 ASP H . . 4.650 3.442 3.260 3.627 . 0 0 "[ . 1 . 2]" 1 862 1 37 THR H 1 40 ASP HA . . 5.500 5.049 4.840 5.259 . 0 0 "[ . 1 . 2]" 1 863 1 37 THR H 1 40 ASP HB2 . . 3.540 2.182 1.938 2.448 . 0 0 "[ . 1 . 2]" 1 864 1 37 THR H 1 40 ASP HB3 . . 4.460 3.472 3.204 3.835 . 0 0 "[ . 1 . 2]" 1 865 1 37 THR H 1 41 ILE H . . 5.010 4.571 4.345 5.002 . 0 0 "[ . 1 . 2]" 1 866 1 37 THR H 1 41 ILE MD . . 5.500 4.511 3.147 4.980 . 0 0 "[ . 1 . 2]" 1 867 1 37 THR HA 1 37 THR HB . . 3.060 2.507 2.399 2.628 . 0 0 "[ . 1 . 2]" 1 868 1 37 THR HA 1 37 THR MG . . 3.130 2.486 2.263 2.617 . 0 0 "[ . 1 . 2]" 1 869 1 37 THR HA 1 38 TRP H . . 3.180 2.316 2.237 2.383 . 0 0 "[ . 1 . 2]" 1 870 1 37 THR HA 1 38 TRP HA . . 5.080 4.251 4.246 4.259 . 0 0 "[ . 1 . 2]" 1 871 1 37 THR HA 1 38 TRP HB3 . . 5.070 4.605 4.520 4.660 . 0 0 "[ . 1 . 2]" 1 872 1 37 THR HA 1 39 ALA H . . 4.610 4.090 3.855 4.208 . 0 0 "[ . 1 . 2]" 1 873 1 37 THR HA 1 39 ALA MB . . 4.910 4.898 4.693 4.945 0.035 12 0 "[ . 1 . 2]" 1 874 1 37 THR HA 1 40 ASP H . . 5.500 4.374 4.284 4.468 . 0 0 "[ . 1 . 2]" 1 875 1 37 THR HA 1 71 GLN HE21 . . 4.030 3.449 3.240 3.815 . 0 0 "[ . 1 . 2]" 1 876 1 37 THR HA 1 71 GLN HE22 . . 4.000 2.112 1.942 2.621 . 0 0 "[ . 1 . 2]" 1 877 1 37 THR HB 1 38 TRP H . . 3.340 2.892 2.710 3.137 . 0 0 "[ . 1 . 2]" 1 878 1 37 THR HB 1 38 TRP HB3 . . 4.770 4.503 4.408 4.597 . 0 0 "[ . 1 . 2]" 1 879 1 37 THR HB 1 39 ALA H . . 3.690 2.831 2.511 3.172 . 0 0 "[ . 1 . 2]" 1 880 1 37 THR HB 1 39 ALA MB . . 4.790 3.008 2.571 3.312 . 0 0 "[ . 1 . 2]" 1 881 1 37 THR HB 1 40 ASP H . . 4.660 3.601 3.382 3.962 . 0 0 "[ . 1 . 2]" 1 882 1 37 THR MG 1 38 TRP H . . 4.510 3.984 3.681 4.187 . 0 0 "[ . 1 . 2]" 1 883 1 37 THR MG 1 39 ALA H . . 4.650 4.406 4.181 4.520 . 0 0 "[ . 1 . 2]" 1 884 1 37 THR MG 1 40 ASP H . . 4.570 4.263 3.957 4.551 . 0 0 "[ . 1 . 2]" 1 885 1 37 THR MG 1 71 GLN HE22 . . 4.970 3.716 3.406 4.236 . 0 0 "[ . 1 . 2]" 1 886 1 38 TRP H 1 38 TRP HB2 . . 3.520 2.631 2.579 2.684 . 0 0 "[ . 1 . 2]" 1 887 1 38 TRP H 1 38 TRP HB3 . . 3.400 2.298 2.253 2.343 . 0 0 "[ . 1 . 2]" 1 888 1 38 TRP H 1 38 TRP HD1 . . 5.090 4.854 4.774 4.922 . 0 0 "[ . 1 . 2]" 1 889 1 38 TRP H 1 38 TRP HE3 . . 5.500 4.658 4.580 4.744 . 0 0 "[ . 1 . 2]" 1 890 1 38 TRP H 1 39 ALA H . . 3.860 2.684 2.535 2.765 . 0 0 "[ . 1 . 2]" 1 891 1 38 TRP H 1 39 ALA HA . . 5.500 5.218 5.088 5.290 . 0 0 "[ . 1 . 2]" 1 892 1 38 TRP H 1 39 ALA MB . . 4.350 4.190 4.056 4.283 . 0 0 "[ . 1 . 2]" 1 893 1 38 TRP H 1 40 ASP H . . 5.500 4.126 3.975 4.217 . 0 0 "[ . 1 . 2]" 1 894 1 38 TRP H 1 41 ILE H . . 5.500 4.747 4.679 4.884 . 0 0 "[ . 1 . 2]" 1 895 1 38 TRP H 1 71 GLN HA . . 4.530 3.044 2.865 3.215 . 0 0 "[ . 1 . 2]" 1 896 1 38 TRP H 1 71 GLN HE21 . . 5.500 3.560 2.673 4.210 . 0 0 "[ . 1 . 2]" 1 897 1 38 TRP H 1 71 GLN HE22 . . 4.570 3.254 2.386 3.801 . 0 0 "[ . 1 . 2]" 1 898 1 38 TRP H 1 74 TYR QD . . 4.560 3.169 2.939 3.443 . 0 0 "[ . 1 . 2]" 1 899 1 38 TRP H 1 74 TYR QE . . 5.370 4.671 4.295 4.967 . 0 0 "[ . 1 . 2]" 1 900 1 38 TRP HA 1 38 TRP HD1 . . 4.740 4.751 4.721 4.775 0.035 3 0 "[ . 1 . 2]" 1 901 1 38 TRP HA 1 38 TRP HE3 . . 3.180 2.154 2.065 2.269 . 0 0 "[ . 1 . 2]" 1 902 1 38 TRP HA 1 38 TRP HZ3 . . 4.650 4.510 4.440 4.602 . 0 0 "[ . 1 . 2]" 1 903 1 38 TRP HA 1 39 ALA MB . . 5.500 4.986 4.967 4.996 . 0 0 "[ . 1 . 2]" 1 904 1 38 TRP HA 1 40 ASP H . . 5.140 4.070 3.761 4.279 . 0 0 "[ . 1 . 2]" 1 905 1 38 TRP HA 1 41 ILE H . . 4.060 3.062 2.911 3.300 . 0 0 "[ . 1 . 2]" 1 906 1 38 TRP HA 1 41 ILE HB . . 3.450 2.609 2.291 2.967 . 0 0 "[ . 1 . 2]" 1 907 1 38 TRP HA 1 41 ILE MD . . 4.360 3.901 1.993 4.353 . 0 0 "[ . 1 . 2]" 1 908 1 38 TRP HA 1 41 ILE QG . . 3.880 2.713 2.356 3.937 0.057 19 0 "[ . 1 . 2]" 1 909 1 38 TRP HA 1 41 ILE MG . . 4.590 3.982 3.701 4.181 . 0 0 "[ . 1 . 2]" 1 910 1 38 TRP HA 1 42 GLU H . . 4.610 3.790 3.551 4.035 . 0 0 "[ . 1 . 2]" 1 911 1 38 TRP HA 1 74 TYR HB2 . . 4.990 3.750 3.544 3.902 . 0 0 "[ . 1 . 2]" 1 912 1 38 TRP HA 1 74 TYR QD . . 4.320 3.062 2.820 3.353 . 0 0 "[ . 1 . 2]" 1 913 1 38 TRP HA 1 74 TYR QE . . 4.870 3.718 3.444 3.981 . 0 0 "[ . 1 . 2]" 1 914 1 38 TRP HB2 1 38 TRP HE1 . . 5.330 5.296 5.280 5.313 . 0 0 "[ . 1 . 2]" 1 915 1 38 TRP HB2 1 39 ALA H . . 4.280 4.123 4.075 4.199 . 0 0 "[ . 1 . 2]" 1 916 1 38 TRP HB2 1 68 ILE MG . . 5.270 2.933 2.718 3.131 . 0 0 "[ . 1 . 2]" 1 917 1 38 TRP HB2 1 71 GLN HA . . 3.310 2.433 2.266 2.629 . 0 0 "[ . 1 . 2]" 1 918 1 38 TRP HB2 1 74 TYR H . . 4.620 3.694 3.538 3.813 . 0 0 "[ . 1 . 2]" 1 919 1 38 TRP HB2 1 74 TYR HB2 . . 3.750 2.048 1.986 2.228 . 0 0 "[ . 1 . 2]" 1 920 1 38 TRP HB2 1 74 TYR HB3 . . 3.520 2.670 2.476 2.860 . 0 0 "[ . 1 . 2]" 1 921 1 38 TRP HB2 1 74 TYR QD . . 3.850 2.819 2.591 3.081 . 0 0 "[ . 1 . 2]" 1 922 1 38 TRP HB3 1 38 TRP HD1 . . 3.470 2.604 2.602 2.606 . 0 0 "[ . 1 . 2]" 1 923 1 38 TRP HB3 1 38 TRP HE1 . . 5.230 4.908 4.908 4.909 . 0 0 "[ . 1 . 2]" 1 924 1 38 TRP HB3 1 39 ALA H . . 3.690 2.859 2.781 2.990 . 0 0 "[ . 1 . 2]" 1 925 1 38 TRP HB3 1 39 ALA HA . . 4.820 4.508 4.458 4.554 . 0 0 "[ . 1 . 2]" 1 926 1 38 TRP HB3 1 39 ALA MB . . 4.690 4.264 4.206 4.335 . 0 0 "[ . 1 . 2]" 1 927 1 38 TRP HB3 1 71 GLN HA . . 3.400 2.654 2.401 2.771 . 0 0 "[ . 1 . 2]" 1 928 1 38 TRP HB3 1 74 TYR HB2 . . 4.330 3.623 3.478 3.816 . 0 0 "[ . 1 . 2]" 1 929 1 38 TRP HB3 1 74 TYR QD . . 4.380 4.126 3.890 4.368 . 0 0 "[ . 1 . 2]" 1 930 1 38 TRP HD1 1 39 ALA H . . 4.780 4.275 4.102 4.379 . 0 0 "[ . 1 . 2]" 1 931 1 38 TRP HD1 1 39 ALA HA . . 4.920 4.373 4.204 4.485 . 0 0 "[ . 1 . 2]" 1 932 1 38 TRP HD1 1 39 ALA MB . . 4.950 4.643 4.516 4.760 . 0 0 "[ . 1 . 2]" 1 933 1 38 TRP HD1 1 42 GLU H . . 5.500 5.436 5.335 5.525 0.025 8 0 "[ . 1 . 2]" 1 934 1 38 TRP HD1 1 68 ILE MG . . 4.950 3.016 2.743 3.448 . 0 0 "[ . 1 . 2]" 1 935 1 38 TRP HD1 1 69 ASN HA . . 5.480 3.602 3.479 3.815 . 0 0 "[ . 1 . 2]" 1 936 1 38 TRP HD1 1 71 GLN HA . . 4.790 4.533 4.195 4.754 . 0 0 "[ . 1 . 2]" 1 937 1 38 TRP HE1 1 39 ALA HA . . 5.500 5.433 5.248 5.520 0.020 15 0 "[ . 1 . 2]" 1 938 1 38 TRP HE1 1 42 GLU H . . 5.500 5.436 5.272 5.543 0.043 10 0 "[ . 1 . 2]" 1 939 1 38 TRP HE1 1 42 GLU HB2 . . 4.860 3.778 3.375 3.992 . 0 0 "[ . 1 . 2]" 1 940 1 38 TRP HE1 1 42 GLU HB3 . . 5.500 5.156 4.643 5.448 . 0 0 "[ . 1 . 2]" 1 941 1 38 TRP HE1 1 42 GLU QG . . 4.530 4.370 3.650 4.577 0.047 12 0 "[ . 1 . 2]" 1 942 1 38 TRP HE1 1 56 ILE HB . . 5.500 5.295 5.090 5.515 0.015 8 0 "[ . 1 . 2]" 1 943 1 38 TRP HE1 1 56 ILE MD . . 5.300 4.733 4.476 4.967 . 0 0 "[ . 1 . 2]" 1 944 1 38 TRP HE1 1 68 ILE HB . . 5.100 3.676 3.471 3.922 . 0 0 "[ . 1 . 2]" 1 945 1 38 TRP HE1 1 68 ILE MG . . 4.520 3.010 2.744 3.512 . 0 0 "[ . 1 . 2]" 1 946 1 38 TRP HE1 1 69 ASN H . . 5.500 3.990 3.772 4.299 . 0 0 "[ . 1 . 2]" 1 947 1 38 TRP HE1 1 69 ASN HA . . 3.750 2.288 2.133 2.500 . 0 0 "[ . 1 . 2]" 1 948 1 38 TRP HE1 1 69 ASN HB2 . . 5.500 5.033 4.738 5.273 . 0 0 "[ . 1 . 2]" 1 949 1 38 TRP HE1 1 70 SER H . . 5.130 4.495 3.388 4.835 . 0 0 "[ . 1 . 2]" 1 950 1 38 TRP HE1 1 70 SER HA . . 4.910 4.914 4.857 4.934 0.024 20 0 "[ . 1 . 2]" 1 951 1 38 TRP HE3 1 41 ILE H . . 5.500 4.255 4.109 4.478 . 0 0 "[ . 1 . 2]" 1 952 1 38 TRP HE3 1 41 ILE HB . . 3.980 2.352 2.165 2.686 . 0 0 "[ . 1 . 2]" 1 953 1 38 TRP HE3 1 41 ILE MD . . 4.240 4.093 3.076 4.309 0.069 12 0 "[ . 1 . 2]" 1 954 1 38 TRP HE3 1 41 ILE QG . . 4.380 2.863 2.618 3.750 . 0 0 "[ . 1 . 2]" 1 955 1 38 TRP HE3 1 41 ILE MG . . 4.120 2.964 2.618 3.331 . 0 0 "[ . 1 . 2]" 1 956 1 38 TRP HE3 1 42 GLU H . . 5.500 3.960 3.539 4.362 . 0 0 "[ . 1 . 2]" 1 957 1 38 TRP HE3 1 68 ILE MG . . 4.150 3.189 2.934 3.493 . 0 0 "[ . 1 . 2]" 1 958 1 38 TRP HE3 1 74 TYR H . . 5.500 5.438 5.277 5.511 0.011 4 0 "[ . 1 . 2]" 1 959 1 38 TRP HE3 1 74 TYR HA . . 5.080 4.669 4.500 4.814 . 0 0 "[ . 1 . 2]" 1 960 1 38 TRP HE3 1 74 TYR HB2 . . 3.990 3.152 3.001 3.258 . 0 0 "[ . 1 . 2]" 1 961 1 38 TRP HE3 1 74 TYR HB3 . . 4.520 4.343 4.224 4.493 . 0 0 "[ . 1 . 2]" 1 962 1 38 TRP HE3 1 74 TYR QD . . 3.770 3.280 3.132 3.420 . 0 0 "[ . 1 . 2]" 1 963 1 38 TRP HE3 1 90 MET ME . . 5.480 3.771 3.536 3.907 . 0 0 "[ . 1 . 2]" 1 964 1 38 TRP HH2 1 41 ILE MG . . 4.550 3.568 3.311 3.917 . 0 0 "[ . 1 . 2]" 1 965 1 38 TRP HH2 1 42 GLU H . . 5.500 5.140 4.704 5.514 0.014 19 0 "[ . 1 . 2]" 1 966 1 38 TRP HH2 1 42 GLU QG . . 5.440 4.699 3.903 5.154 . 0 0 "[ . 1 . 2]" 1 967 1 38 TRP HH2 1 56 ILE H . . 5.500 4.407 4.282 4.697 . 0 0 "[ . 1 . 2]" 1 968 1 38 TRP HH2 1 56 ILE HB . . 3.560 2.053 1.980 2.302 . 0 0 "[ . 1 . 2]" 1 969 1 38 TRP HH2 1 56 ILE MD . . 3.550 2.014 1.890 2.274 . 0 0 "[ . 1 . 2]" 1 970 1 38 TRP HH2 1 56 ILE HG12 . . 5.500 3.746 3.450 3.890 . 0 0 "[ . 1 . 2]" 1 971 1 38 TRP HH2 1 56 ILE HG13 . . 4.500 4.140 4.005 4.342 . 0 0 "[ . 1 . 2]" 1 972 1 38 TRP HH2 1 56 ILE MG . . 3.500 2.159 1.976 2.350 . 0 0 "[ . 1 . 2]" 1 973 1 38 TRP HH2 1 68 ILE H . . 5.500 4.391 4.125 4.642 . 0 0 "[ . 1 . 2]" 1 974 1 38 TRP HH2 1 68 ILE HB . . 4.560 3.308 3.158 3.420 . 0 0 "[ . 1 . 2]" 1 975 1 38 TRP HH2 1 68 ILE MD . . 3.860 3.391 3.009 3.583 . 0 0 "[ . 1 . 2]" 1 976 1 38 TRP HH2 1 68 ILE MG . . 4.440 4.291 4.108 4.446 0.006 3 0 "[ . 1 . 2]" 1 977 1 38 TRP HH2 1 90 MET ME . . 3.830 2.545 2.295 2.867 . 0 0 "[ . 1 . 2]" 1 978 1 38 TRP HZ2 1 42 GLU HA . . 5.420 4.334 4.045 4.700 . 0 0 "[ . 1 . 2]" 1 979 1 38 TRP HZ2 1 42 GLU HB2 . . 5.110 4.023 3.326 4.376 . 0 0 "[ . 1 . 2]" 1 980 1 38 TRP HZ2 1 42 GLU QG . . 4.980 3.766 2.794 4.125 . 0 0 "[ . 1 . 2]" 1 981 1 38 TRP HZ2 1 56 ILE H . . 5.480 3.779 3.518 4.051 . 0 0 "[ . 1 . 2]" 1 982 1 38 TRP HZ2 1 56 ILE HB . . 3.670 2.467 2.266 2.681 . 0 0 "[ . 1 . 2]" 1 983 1 38 TRP HZ2 1 56 ILE MD . . 3.980 2.655 2.313 2.953 . 0 0 "[ . 1 . 2]" 1 984 1 38 TRP HZ2 1 56 ILE HG13 . . 5.120 4.565 4.343 4.817 . 0 0 "[ . 1 . 2]" 1 985 1 38 TRP HZ2 1 56 ILE MG . . 4.630 3.732 3.538 3.943 . 0 0 "[ . 1 . 2]" 1 986 1 38 TRP HZ2 1 68 ILE HB . . 4.240 2.675 2.516 2.883 . 0 0 "[ . 1 . 2]" 1 987 1 38 TRP HZ2 1 68 ILE MD . . 5.270 4.194 4.013 4.371 . 0 0 "[ . 1 . 2]" 1 988 1 38 TRP HZ2 1 68 ILE MG . . 4.540 3.691 3.566 3.890 . 0 0 "[ . 1 . 2]" 1 989 1 38 TRP HZ2 1 69 ASN HA . . 4.640 4.568 4.381 4.663 0.023 9 0 "[ . 1 . 2]" 1 990 1 38 TRP HZ2 1 90 MET ME . . 5.500 4.630 4.420 4.900 . 0 0 "[ . 1 . 2]" 1 991 1 38 TRP HZ3 1 41 ILE HB . . 4.770 3.165 2.932 3.627 . 0 0 "[ . 1 . 2]" 1 992 1 38 TRP HZ3 1 41 ILE MG . . 3.450 2.166 1.923 2.615 . 0 0 "[ . 1 . 2]" 1 993 1 38 TRP HZ3 1 56 ILE HB . . 5.500 4.488 4.409 4.746 . 0 0 "[ . 1 . 2]" 1 994 1 38 TRP HZ3 1 56 ILE MD . . 4.560 3.335 3.131 3.711 . 0 0 "[ . 1 . 2]" 1 995 1 38 TRP HZ3 1 56 ILE MG . . 4.500 3.514 3.318 3.716 . 0 0 "[ . 1 . 2]" 1 996 1 38 TRP HZ3 1 68 ILE MD . . 4.020 3.135 2.893 3.361 . 0 0 "[ . 1 . 2]" 1 997 1 38 TRP HZ3 1 68 ILE MG . . 4.680 4.003 3.781 4.281 . 0 0 "[ . 1 . 2]" 1 998 1 38 TRP HZ3 1 74 TYR QD . . 4.260 3.957 3.662 4.249 . 0 0 "[ . 1 . 2]" 1 999 1 38 TRP HZ3 1 90 MET ME . . 3.680 1.978 1.778 2.203 . 0 0 "[ . 1 . 2]" 1 1000 1 39 ALA H 1 39 ALA MB . . 2.970 2.016 1.974 2.036 . 0 0 "[ . 1 . 2]" 1 1001 1 39 ALA H 1 40 ASP H . . 3.670 2.712 2.651 2.791 . 0 0 "[ . 1 . 2]" 1 1002 1 39 ALA H 1 40 ASP HA . . 5.210 5.217 5.170 5.282 0.072 12 0 "[ . 1 . 2]" 1 1003 1 39 ALA H 1 41 ILE H . . 5.200 4.048 3.821 4.304 . 0 0 "[ . 1 . 2]" 1 1004 1 39 ALA HA 1 40 ASP HA . . 5.500 4.733 4.670 4.781 . 0 0 "[ . 1 . 2]" 1 1005 1 39 ALA HA 1 41 ILE H . . 5.390 4.197 3.634 4.638 . 0 0 "[ . 1 . 2]" 1 1006 1 39 ALA HA 1 42 GLU H . . 4.310 3.550 3.190 4.015 . 0 0 "[ . 1 . 2]" 1 1007 1 39 ALA HA 1 42 GLU HB2 . . 3.960 3.227 2.812 3.962 0.002 17 0 "[ . 1 . 2]" 1 1008 1 39 ALA HA 1 42 GLU HB3 . . 3.030 2.977 2.700 3.083 0.053 9 0 "[ . 1 . 2]" 1 1009 1 39 ALA HA 1 42 GLU QG . . 4.690 4.692 4.646 4.740 0.050 10 0 "[ . 1 . 2]" 1 1010 1 39 ALA HA 1 43 ALA H . . 4.700 3.817 3.579 4.018 . 0 0 "[ . 1 . 2]" 1 1011 1 39 ALA MB 1 40 ASP H . . 3.530 2.792 2.717 2.959 . 0 0 "[ . 1 . 2]" 1 1012 1 39 ALA MB 1 40 ASP HA . . 4.310 3.799 3.766 3.863 . 0 0 "[ . 1 . 2]" 1 1013 1 39 ALA MB 1 41 ILE H . . 5.220 4.476 4.170 4.698 . 0 0 "[ . 1 . 2]" 1 1014 1 39 ALA MB 1 43 ALA H . . 5.410 4.560 4.333 4.712 . 0 0 "[ . 1 . 2]" 1 1015 1 40 ASP H 1 40 ASP HB2 . . 3.290 2.032 2.016 2.091 . 0 0 "[ . 1 . 2]" 1 1016 1 40 ASP H 1 40 ASP HB3 . . 3.730 3.302 3.233 3.380 . 0 0 "[ . 1 . 2]" 1 1017 1 40 ASP H 1 41 ILE H . . 3.680 2.536 2.388 2.625 . 0 0 "[ . 1 . 2]" 1 1018 1 40 ASP H 1 41 ILE MD . . 5.500 4.774 3.375 5.213 . 0 0 "[ . 1 . 2]" 1 1019 1 40 ASP H 1 41 ILE QG . . 5.490 3.946 3.494 5.253 . 0 0 "[ . 1 . 2]" 1 1020 1 40 ASP H 1 42 GLU H . . 4.870 4.368 4.030 4.634 . 0 0 "[ . 1 . 2]" 1 1021 1 40 ASP HA 1 40 ASP HB3 . . 3.030 2.838 2.768 2.873 . 0 0 "[ . 1 . 2]" 1 1022 1 40 ASP HA 1 41 ILE HA . . 5.480 4.768 4.657 4.852 . 0 0 "[ . 1 . 2]" 1 1023 1 40 ASP HA 1 41 ILE MD . . 5.500 5.212 4.522 5.506 0.006 12 0 "[ . 1 . 2]" 1 1024 1 40 ASP HA 1 42 GLU H . . 5.350 4.999 4.664 5.243 . 0 0 "[ . 1 . 2]" 1 1025 1 40 ASP HA 1 43 ALA H . . 4.160 4.018 3.676 4.185 0.025 4 0 "[ . 1 . 2]" 1 1026 1 40 ASP HA 1 43 ALA MB . . 3.260 3.127 2.785 3.284 0.024 1 0 "[ . 1 . 2]" 1 1027 1 40 ASP HA 1 44 MET H . . 4.830 4.006 3.666 4.181 . 0 0 "[ . 1 . 2]" 1 1028 1 40 ASP HB2 1 41 ILE H . . 3.430 3.085 2.800 3.442 0.012 4 0 "[ . 1 . 2]" 1 1029 1 40 ASP HB2 1 41 ILE MD . . 5.500 4.062 2.877 4.424 . 0 0 "[ . 1 . 2]" 1 1030 1 40 ASP HB3 1 41 ILE H . . 4.350 3.219 2.934 3.644 . 0 0 "[ . 1 . 2]" 1 1031 1 40 ASP HB3 1 41 ILE MD . . 5.500 3.398 2.630 3.724 . 0 0 "[ . 1 . 2]" 1 1032 1 40 ASP HB3 1 43 ALA MB . . 5.500 5.203 4.980 5.405 . 0 0 "[ . 1 . 2]" 1 1033 1 40 ASP HB3 1 44 MET ME . . 4.650 4.496 3.929 4.649 . 0 0 "[ . 1 . 2]" 1 1034 1 41 ILE H 1 41 ILE HB . . 3.230 2.443 2.187 2.562 . 0 0 "[ . 1 . 2]" 1 1035 1 41 ILE H 1 41 ILE MD . . 4.210 3.194 2.070 3.672 . 0 0 "[ . 1 . 2]" 1 1036 1 41 ILE H 1 41 ILE QG . . 3.220 2.178 1.912 3.261 0.041 19 0 "[ . 1 . 2]" 1 1037 1 41 ILE H 1 41 ILE MG . . 4.250 3.715 3.613 3.787 . 0 0 "[ . 1 . 2]" 1 1038 1 41 ILE H 1 42 GLU H . . 3.470 2.653 2.265 2.888 . 0 0 "[ . 1 . 2]" 1 1039 1 41 ILE H 1 42 GLU HB2 . . 5.320 4.637 4.248 5.050 . 0 0 "[ . 1 . 2]" 1 1040 1 41 ILE H 1 42 GLU HB3 . . 5.120 4.925 4.547 5.171 0.051 19 0 "[ . 1 . 2]" 1 1041 1 41 ILE H 1 43 ALA H . . 5.270 4.270 3.753 4.646 . 0 0 "[ . 1 . 2]" 1 1042 1 41 ILE HA 1 41 ILE MD . . 3.110 2.262 1.994 3.160 0.050 20 0 "[ . 1 . 2]" 1 1043 1 41 ILE HA 1 41 ILE QG . . 3.390 2.778 2.136 2.967 . 0 0 "[ . 1 . 2]" 1 1044 1 41 ILE HA 1 41 ILE MG . . 3.300 2.359 2.246 2.597 . 0 0 "[ . 1 . 2]" 1 1045 1 41 ILE HA 1 43 ALA H . . 5.160 4.720 4.354 5.013 . 0 0 "[ . 1 . 2]" 1 1046 1 41 ILE HA 1 44 MET H . . 4.170 3.432 3.244 3.677 . 0 0 "[ . 1 . 2]" 1 1047 1 41 ILE HA 1 44 MET HB2 . . 3.930 2.764 2.361 3.149 . 0 0 "[ . 1 . 2]" 1 1048 1 41 ILE HA 1 44 MET HB3 . . 3.680 2.485 1.960 2.951 . 0 0 "[ . 1 . 2]" 1 1049 1 41 ILE HA 1 44 MET ME . . 3.620 2.183 1.949 2.545 . 0 0 "[ . 1 . 2]" 1 1050 1 41 ILE HA 1 44 MET HG2 . . 4.670 4.416 3.599 4.707 0.037 17 0 "[ . 1 . 2]" 1 1051 1 41 ILE HA 1 44 MET HG3 . . 5.060 4.934 4.669 5.090 0.030 1 0 "[ . 1 . 2]" 1 1052 1 41 ILE HA 1 45 VAL H . . 4.240 3.866 3.638 4.129 . 0 0 "[ . 1 . 2]" 1 1053 1 41 ILE HB 1 41 ILE QG . . 2.540 2.217 2.165 2.497 . 0 0 "[ . 1 . 2]" 1 1054 1 41 ILE HB 1 42 GLU H . . 3.410 2.386 2.205 2.745 . 0 0 "[ . 1 . 2]" 1 1055 1 41 ILE HB 1 42 GLU HA . . 4.520 4.183 4.033 4.546 0.026 19 0 "[ . 1 . 2]" 1 1056 1 41 ILE MD 1 41 ILE MG . . 3.000 2.147 1.880 3.150 0.150 6 0 "[ . 1 . 2]" 1 1057 1 41 ILE MD 1 42 GLU H . . 5.460 4.560 3.869 4.740 . 0 0 "[ . 1 . 2]" 1 1058 1 41 ILE MD 1 44 MET HB3 . . 4.650 3.959 3.453 4.716 0.066 20 0 "[ . 1 . 2]" 1 1059 1 41 ILE MD 1 44 MET ME . . 3.310 2.225 1.866 3.350 0.040 20 0 "[ . 1 . 2]" 1 1060 1 41 ILE MD 1 74 TYR QD . . 5.500 4.445 3.414 4.721 . 0 0 "[ . 1 . 2]" 1 1061 1 41 ILE MD 1 74 TYR QE . . 4.380 2.833 1.953 3.171 . 0 0 "[ . 1 . 2]" 1 1062 1 41 ILE QG 1 41 ILE MG . . 3.240 2.361 2.105 2.442 . 0 0 "[ . 1 . 2]" 1 1063 1 41 ILE QG 1 42 GLU H . . 4.530 3.916 3.686 4.528 . 0 0 "[ . 1 . 2]" 1 1064 1 41 ILE QG 1 44 MET ME . . 4.140 3.534 1.922 4.035 . 0 0 "[ . 1 . 2]" 1 1065 1 41 ILE QG 1 74 TYR QE . . 4.840 2.570 2.158 3.322 . 0 0 "[ . 1 . 2]" 1 1066 1 41 ILE MG 1 42 GLU H . . 4.130 3.253 2.889 3.611 . 0 0 "[ . 1 . 2]" 1 1067 1 41 ILE MG 1 42 GLU HA . . 4.180 3.438 3.031 3.676 . 0 0 "[ . 1 . 2]" 1 1068 1 41 ILE MG 1 43 ALA H . . 5.320 5.204 4.887 5.365 0.045 18 0 "[ . 1 . 2]" 1 1069 1 41 ILE MG 1 44 MET ME . . 3.730 2.436 2.095 2.872 . 0 0 "[ . 1 . 2]" 1 1070 1 41 ILE MG 1 45 VAL H . . 5.500 3.761 3.575 4.182 . 0 0 "[ . 1 . 2]" 1 1071 1 41 ILE MG 1 45 VAL HB . . 4.830 4.106 3.849 4.558 . 0 0 "[ . 1 . 2]" 1 1072 1 41 ILE MG 1 45 VAL MG2 . . 3.370 2.500 2.295 2.737 . 0 0 "[ . 1 . 2]" 1 1073 1 41 ILE MG 1 56 ILE MD . . 4.310 2.949 2.661 3.482 . 0 0 "[ . 1 . 2]" 1 1074 1 41 ILE MG 1 56 ILE HG12 . . 4.850 4.903 4.864 4.949 0.099 12 0 "[ . 1 . 2]" 1 1075 1 41 ILE MG 1 56 ILE MG . . 5.310 3.951 3.701 4.059 . 0 0 "[ . 1 . 2]" 1 1076 1 41 ILE MG 1 74 TYR QD . . 5.500 4.383 4.191 4.601 . 0 0 "[ . 1 . 2]" 1 1077 1 41 ILE MG 1 74 TYR QE . . 4.820 3.427 3.104 3.659 . 0 0 "[ . 1 . 2]" 1 1078 1 42 GLU H 1 42 GLU HB2 . . 3.300 2.213 2.088 2.461 . 0 0 "[ . 1 . 2]" 1 1079 1 42 GLU H 1 42 GLU HB3 . . 3.280 2.833 2.485 2.966 . 0 0 "[ . 1 . 2]" 1 1080 1 42 GLU H 1 42 GLU QG . . 3.880 3.884 3.721 3.948 0.068 17 0 "[ . 1 . 2]" 1 1081 1 42 GLU H 1 43 ALA H . . 3.610 3.088 2.784 3.269 . 0 0 "[ . 1 . 2]" 1 1082 1 42 GLU H 1 43 ALA MB . . 4.960 4.572 4.315 4.687 . 0 0 "[ . 1 . 2]" 1 1083 1 42 GLU H 1 44 MET H . . 4.970 4.348 3.693 4.577 . 0 0 "[ . 1 . 2]" 1 1084 1 42 GLU H 1 56 ILE MD . . 4.990 3.935 3.770 4.131 . 0 0 "[ . 1 . 2]" 1 1085 1 42 GLU HA 1 42 GLU QG . . 3.240 2.195 2.050 2.405 . 0 0 "[ . 1 . 2]" 1 1086 1 42 GLU HA 1 44 MET H . . 4.880 4.718 3.939 4.942 0.062 12 0 "[ . 1 . 2]" 1 1087 1 42 GLU HA 1 45 VAL H . . 4.520 3.863 3.598 4.111 . 0 0 "[ . 1 . 2]" 1 1088 1 42 GLU HA 1 45 VAL HB . . 3.540 3.328 3.041 3.561 0.021 7 0 "[ . 1 . 2]" 1 1089 1 42 GLU HA 1 45 VAL MG1 . . 5.500 4.593 4.382 4.816 . 0 0 "[ . 1 . 2]" 1 1090 1 42 GLU HA 1 45 VAL MG2 . . 4.200 3.684 3.164 4.000 . 0 0 "[ . 1 . 2]" 1 1091 1 42 GLU HA 1 46 LYS H . . 5.300 4.167 3.717 4.674 . 0 0 "[ . 1 . 2]" 1 1092 1 42 GLU HA 1 54 ILE MD . . 3.730 3.371 3.078 3.749 0.019 6 0 "[ . 1 . 2]" 1 1093 1 42 GLU HA 1 56 ILE MD . . 3.470 2.113 1.916 2.330 . 0 0 "[ . 1 . 2]" 1 1094 1 42 GLU HB2 1 43 ALA H . . 4.060 3.568 3.396 3.805 . 0 0 "[ . 1 . 2]" 1 1095 1 42 GLU HB3 1 43 ALA H . . 3.480 2.306 2.040 2.550 . 0 0 "[ . 1 . 2]" 1 1096 1 42 GLU HB3 1 43 ALA HA . . 4.430 4.030 3.906 4.292 . 0 0 "[ . 1 . 2]" 1 1097 1 42 GLU QG 1 43 ALA H . . 4.290 3.733 3.253 4.074 . 0 0 "[ . 1 . 2]" 1 1098 1 42 GLU QG 1 43 ALA HA . . 5.280 4.044 3.502 4.448 . 0 0 "[ . 1 . 2]" 1 1099 1 42 GLU QG 1 46 LYS QE . . 4.630 3.406 1.977 3.895 . 0 0 "[ . 1 . 2]" 1 1100 1 42 GLU QG 1 54 ILE MD . . 3.410 2.991 2.547 3.428 0.018 19 0 "[ . 1 . 2]" 1 1101 1 42 GLU QG 1 56 ILE MD . . 3.530 2.390 2.063 2.875 . 0 0 "[ . 1 . 2]" 1 1102 1 43 ALA H 1 43 ALA MB . . 2.940 2.071 1.947 2.167 . 0 0 "[ . 1 . 2]" 1 1103 1 43 ALA H 1 44 MET H . . 3.460 2.799 2.498 3.035 . 0 0 "[ . 1 . 2]" 1 1104 1 43 ALA H 1 44 MET HA . . 5.500 5.262 5.020 5.448 . 0 0 "[ . 1 . 2]" 1 1105 1 43 ALA H 1 44 MET HB2 . . 5.060 4.873 4.504 5.140 0.080 19 0 "[ . 1 . 2]" 1 1106 1 43 ALA H 1 45 VAL H . . 5.320 4.578 4.025 4.836 . 0 0 "[ . 1 . 2]" 1 1107 1 43 ALA H 1 56 ILE MD . . 5.500 5.031 4.802 5.300 . 0 0 "[ . 1 . 2]" 1 1108 1 43 ALA HA 1 45 VAL H . . 5.190 4.720 3.874 5.112 . 0 0 "[ . 1 . 2]" 1 1109 1 43 ALA HA 1 46 LYS H . . 3.980 3.341 3.020 3.681 . 0 0 "[ . 1 . 2]" 1 1110 1 43 ALA HA 1 46 LYS QB . . 3.540 2.098 1.953 2.380 . 0 0 "[ . 1 . 2]" 1 1111 1 43 ALA HA 1 46 LYS HD2 . . 4.300 4.010 3.493 4.352 0.052 3 0 "[ . 1 . 2]" 1 1112 1 43 ALA HA 1 46 LYS HD3 . . 3.520 2.948 1.977 4.432 0.912 19 4 "[ . * -1 . +*]" 1 1113 1 43 ALA HA 1 46 LYS QE . . 4.290 2.885 1.853 3.876 . 0 0 "[ . 1 . 2]" 1 1114 1 43 ALA HA 1 46 LYS HG2 . . 4.740 4.513 4.287 4.854 0.114 10 0 "[ . 1 . 2]" 1 1115 1 43 ALA HA 1 46 LYS HG3 . . 5.290 3.856 2.866 4.654 . 0 0 "[ . 1 . 2]" 1 1116 1 43 ALA HA 1 47 VAL H . . 4.700 3.622 3.328 3.999 . 0 0 "[ . 1 . 2]" 1 1117 1 43 ALA HA 1 47 VAL QG . . 5.130 3.505 3.211 4.108 . 0 0 "[ . 1 . 2]" 1 1118 1 43 ALA MB 1 44 MET H . . 3.400 2.502 2.224 2.986 . 0 0 "[ . 1 . 2]" 1 1119 1 43 ALA MB 1 44 MET HA . . 4.180 3.717 3.595 3.902 . 0 0 "[ . 1 . 2]" 1 1120 1 43 ALA MB 1 44 MET HB2 . . 4.620 4.145 3.921 4.548 . 0 0 "[ . 1 . 2]" 1 1121 1 43 ALA MB 1 46 LYS QB . . 4.780 3.569 3.411 3.852 . 0 0 "[ . 1 . 2]" 1 1122 1 44 MET H 1 44 MET HB2 . . 3.330 2.296 2.039 2.814 . 0 0 "[ . 1 . 2]" 1 1123 1 44 MET H 1 44 MET HB3 . . 3.360 2.680 2.158 3.013 . 0 0 "[ . 1 . 2]" 1 1124 1 44 MET H 1 44 MET ME . . 4.510 4.242 3.969 4.458 . 0 0 "[ . 1 . 2]" 1 1125 1 44 MET H 1 44 MET HG3 . . 4.140 4.181 3.953 4.421 0.281 10 0 "[ . 1 . 2]" 1 1126 1 44 MET H 1 45 VAL H . . 3.470 3.087 2.657 3.272 . 0 0 "[ . 1 . 2]" 1 1127 1 44 MET H 1 45 VAL HB . . 5.470 5.122 4.609 5.340 . 0 0 "[ . 1 . 2]" 1 1128 1 44 MET H 1 45 VAL MG2 . . 4.890 4.512 4.264 4.816 . 0 0 "[ . 1 . 2]" 1 1129 1 44 MET H 1 46 LYS H . . 5.160 4.168 3.736 4.452 . 0 0 "[ . 1 . 2]" 1 1130 1 44 MET HA 1 44 MET ME . . 5.470 4.471 4.299 4.746 . 0 0 "[ . 1 . 2]" 1 1131 1 44 MET HA 1 44 MET HG2 . . 3.170 3.292 3.091 3.717 0.547 20 2 "[ - . 1 . +]" 1 1132 1 44 MET HA 1 44 MET HG3 . . 3.760 2.393 2.116 2.757 . 0 0 "[ . 1 . 2]" 1 1133 1 44 MET HA 1 45 VAL MG2 . . 5.310 4.901 4.772 5.013 . 0 0 "[ . 1 . 2]" 1 1134 1 44 MET HA 1 46 LYS H . . 4.930 4.532 3.710 4.936 0.006 12 0 "[ . 1 . 2]" 1 1135 1 44 MET HA 1 47 VAL H . . 4.100 3.918 2.949 4.114 0.014 7 0 "[ . 1 . 2]" 1 1136 1 44 MET HA 1 47 VAL QG . . 3.870 2.219 1.953 3.203 . 0 0 "[ . 1 . 2]" 1 1137 1 44 MET HA 1 48 SER H . . 4.560 3.860 3.538 4.191 . 0 0 "[ . 1 . 2]" 1 1138 1 44 MET HB2 1 44 MET ME . . 3.390 2.749 2.334 3.273 . 0 0 "[ . 1 . 2]" 1 1139 1 44 MET HB2 1 45 VAL H . . 3.890 3.585 3.178 3.969 0.079 20 0 "[ . 1 . 2]" 1 1140 1 44 MET HB3 1 44 MET ME . . 3.420 2.186 2.000 2.465 . 0 0 "[ . 1 . 2]" 1 1141 1 44 MET HB3 1 45 VAL H . . 3.570 2.242 1.933 2.807 . 0 0 "[ . 1 . 2]" 1 1142 1 44 MET HB3 1 45 VAL MG2 . . 4.170 2.861 2.619 3.394 . 0 0 "[ . 1 . 2]" 1 1143 1 44 MET ME 1 45 VAL H . . 4.660 3.784 3.504 4.274 . 0 0 "[ . 1 . 2]" 1 1144 1 44 MET ME 1 45 VAL MG2 . . 4.070 3.085 2.703 3.423 . 0 0 "[ . 1 . 2]" 1 1145 1 44 MET HG2 1 45 VAL H . . 4.540 3.577 2.708 4.176 . 0 0 "[ . 1 . 2]" 1 1146 1 44 MET HG2 1 45 VAL HA . . 4.640 3.815 3.078 4.429 . 0 0 "[ . 1 . 2]" 1 1147 1 44 MET HG2 1 45 VAL MG2 . . 4.780 3.498 2.586 4.036 . 0 0 "[ . 1 . 2]" 1 1148 1 44 MET HG3 1 45 VAL H . . 5.000 4.378 3.636 4.957 . 0 0 "[ . 1 . 2]" 1 1149 1 44 MET HG3 1 45 VAL HA . . 5.500 4.884 3.690 5.345 . 0 0 "[ . 1 . 2]" 1 1150 1 44 MET HG3 1 45 VAL MG2 . . 5.070 4.756 3.915 5.095 0.025 4 0 "[ . 1 . 2]" 1 1151 1 45 VAL H 1 45 VAL HB . . 2.810 2.392 2.282 2.489 . 0 0 "[ . 1 . 2]" 1 1152 1 45 VAL H 1 45 VAL MG1 . . 4.350 3.694 3.680 3.706 . 0 0 "[ . 1 . 2]" 1 1153 1 45 VAL H 1 45 VAL MG2 . . 3.200 2.063 1.917 2.480 . 0 0 "[ . 1 . 2]" 1 1154 1 45 VAL H 1 47 VAL H . . 5.270 4.701 3.741 4.963 . 0 0 "[ . 1 . 2]" 1 1155 1 45 VAL H 1 54 ILE MD . . 4.940 4.172 3.864 4.607 . 0 0 "[ . 1 . 2]" 1 1156 1 45 VAL H 1 56 ILE MD . . 4.860 3.874 3.658 4.289 . 0 0 "[ . 1 . 2]" 1 1157 1 45 VAL HA 1 45 VAL MG1 . . 3.180 2.418 2.281 2.488 . 0 0 "[ . 1 . 2]" 1 1158 1 45 VAL HA 1 45 VAL MG2 . . 3.090 2.371 2.204 2.439 . 0 0 "[ . 1 . 2]" 1 1159 1 45 VAL HA 1 46 LYS HA . . 5.500 4.834 4.623 4.899 . 0 0 "[ . 1 . 2]" 1 1160 1 45 VAL HA 1 47 VAL H . . 5.500 4.995 4.324 5.240 . 0 0 "[ . 1 . 2]" 1 1161 1 45 VAL HA 1 48 SER H . . 4.220 3.470 3.101 3.661 . 0 0 "[ . 1 . 2]" 1 1162 1 45 VAL HA 1 48 SER HB2 . . 3.760 2.308 1.986 3.258 . 0 0 "[ . 1 . 2]" 1 1163 1 45 VAL HA 1 48 SER HB3 . . 4.320 2.842 1.980 3.490 . 0 0 "[ . 1 . 2]" 1 1164 1 45 VAL HA 1 49 PHE H . . 4.730 4.196 3.911 4.499 . 0 0 "[ . 1 . 2]" 1 1165 1 45 VAL HA 1 49 PHE QD . . 4.180 3.259 2.974 3.716 . 0 0 "[ . 1 . 2]" 1 1166 1 45 VAL HA 1 49 PHE QE . . 4.530 3.995 3.781 4.330 . 0 0 "[ . 1 . 2]" 1 1167 1 45 VAL HA 1 54 ILE MD . . 5.500 4.447 4.175 4.861 . 0 0 "[ . 1 . 2]" 1 1168 1 45 VAL HB 1 46 LYS HA . . 5.500 4.321 4.170 4.575 . 0 0 "[ . 1 . 2]" 1 1169 1 45 VAL HB 1 54 ILE MD . . 3.620 2.495 2.081 2.940 . 0 0 "[ . 1 . 2]" 1 1170 1 45 VAL HB 1 56 ILE MD . . 3.680 2.266 1.964 2.798 . 0 0 "[ . 1 . 2]" 1 1171 1 45 VAL MG1 1 46 LYS H . . 3.910 3.466 3.079 3.870 . 0 0 "[ . 1 . 2]" 1 1172 1 45 VAL MG1 1 46 LYS HA . . 4.220 3.530 3.209 3.736 . 0 0 "[ . 1 . 2]" 1 1173 1 45 VAL MG1 1 48 SER H . . 5.500 4.734 4.393 4.967 . 0 0 "[ . 1 . 2]" 1 1174 1 45 VAL MG1 1 49 PHE H . . 5.500 4.120 3.865 4.507 . 0 0 "[ . 1 . 2]" 1 1175 1 45 VAL MG1 1 49 PHE HB2 . . 4.830 3.635 3.276 4.070 . 0 0 "[ . 1 . 2]" 1 1176 1 45 VAL MG1 1 49 PHE QD . . 3.270 2.222 1.810 2.816 . 0 0 "[ . 1 . 2]" 1 1177 1 45 VAL MG1 1 49 PHE QE . . 3.750 2.521 2.031 3.165 . 0 0 "[ . 1 . 2]" 1 1178 1 45 VAL MG1 1 51 LEU MD1 . . 4.230 3.501 3.194 4.006 . 0 0 "[ . 1 . 2]" 1 1179 1 45 VAL MG1 1 54 ILE MD . . 2.860 2.163 1.807 2.652 . 0 0 "[ . 1 . 2]" 1 1180 1 45 VAL MG1 1 56 ILE HG12 . . 4.070 2.560 2.049 2.992 . 0 0 "[ . 1 . 2]" 1 1181 1 45 VAL MG1 1 56 ILE MG . . 4.340 3.842 3.404 4.158 . 0 0 "[ . 1 . 2]" 1 1182 1 45 VAL MG1 1 92 VAL HB . . 4.930 3.810 3.652 4.218 . 0 0 "[ . 1 . 2]" 1 1183 1 45 VAL MG1 1 92 VAL MG1 . . 3.810 3.397 3.249 3.718 . 0 0 "[ . 1 . 2]" 1 1184 1 45 VAL MG1 1 92 VAL MG2 . . 2.660 1.731 1.608 2.061 . 0 0 "[ . 1 . 2]" 1 1185 1 45 VAL MG2 1 46 LYS H . . 4.680 3.908 3.778 4.071 . 0 0 "[ . 1 . 2]" 1 1186 1 45 VAL MG2 1 49 PHE QD . . 4.790 4.314 3.979 4.631 . 0 0 "[ . 1 . 2]" 1 1187 1 45 VAL MG2 1 49 PHE QE . . 4.940 3.964 3.424 4.347 . 0 0 "[ . 1 . 2]" 1 1188 1 45 VAL MG2 1 56 ILE MD . . 3.500 2.433 1.916 3.001 . 0 0 "[ . 1 . 2]" 1 1189 1 45 VAL MG2 1 56 ILE MG . . 4.540 3.590 3.258 4.000 . 0 0 "[ . 1 . 2]" 1 1190 1 46 LYS H 1 46 LYS QB . . 3.190 2.230 2.020 2.429 . 0 0 "[ . 1 . 2]" 1 1191 1 46 LYS H 1 46 LYS HD2 . . 4.940 4.591 4.146 4.850 . 0 0 "[ . 1 . 2]" 1 1192 1 46 LYS H 1 46 LYS HD3 . . 4.950 3.850 3.328 5.062 0.112 19 0 "[ . 1 . 2]" 1 1193 1 46 LYS H 1 46 LYS HG2 . . 4.230 3.810 3.200 4.380 0.150 3 0 "[ . 1 . 2]" 1 1194 1 46 LYS H 1 46 LYS HG3 . . 3.630 2.652 2.069 3.427 . 0 0 "[ . 1 . 2]" 1 1195 1 46 LYS H 1 47 VAL H . . 3.880 3.024 2.212 3.240 . 0 0 "[ . 1 . 2]" 1 1196 1 46 LYS H 1 47 VAL QG . . 4.670 3.737 3.563 4.223 . 0 0 "[ . 1 . 2]" 1 1197 1 46 LYS H 1 48 SER H . . 4.730 3.982 3.349 4.186 . 0 0 "[ . 1 . 2]" 1 1198 1 46 LYS H 1 54 ILE MD . . 4.050 2.744 2.358 3.361 . 0 0 "[ . 1 . 2]" 1 1199 1 46 LYS H 1 54 ILE MG . . 5.390 4.476 3.896 4.926 . 0 0 "[ . 1 . 2]" 1 1200 1 46 LYS H 1 56 ILE MD . . 4.670 3.983 3.752 4.430 . 0 0 "[ . 1 . 2]" 1 1201 1 46 LYS HA 1 46 LYS HD2 . . 5.500 4.511 4.195 4.841 . 0 0 "[ . 1 . 2]" 1 1202 1 46 LYS HA 1 46 LYS HD3 . . 5.500 4.373 3.836 4.669 . 0 0 "[ . 1 . 2]" 1 1203 1 46 LYS HA 1 46 LYS QE . . 5.500 4.188 3.913 4.627 . 0 0 "[ . 1 . 2]" 1 1204 1 46 LYS HA 1 46 LYS HG2 . . 3.090 2.607 2.279 2.970 . 0 0 "[ . 1 . 2]" 1 1205 1 46 LYS HA 1 46 LYS HG3 . . 3.760 2.543 1.977 3.088 . 0 0 "[ . 1 . 2]" 1 1206 1 46 LYS HA 1 49 PHE H . . 4.450 3.563 3.305 3.788 . 0 0 "[ . 1 . 2]" 1 1207 1 46 LYS HA 1 49 PHE HB2 . . 4.930 3.396 2.853 3.730 . 0 0 "[ . 1 . 2]" 1 1208 1 46 LYS HA 1 49 PHE HB3 . . 5.500 4.890 4.224 5.359 . 0 0 "[ . 1 . 2]" 1 1209 1 46 LYS HA 1 49 PHE QD . . 5.500 4.273 3.858 4.611 . 0 0 "[ . 1 . 2]" 1 1210 1 46 LYS HA 1 50 ASP HA . . 5.500 5.346 5.110 5.554 0.054 10 0 "[ . 1 . 2]" 1 1211 1 46 LYS HA 1 51 LEU H . . 3.550 3.283 2.811 3.574 0.024 19 0 "[ . 1 . 2]" 1 1212 1 46 LYS HA 1 51 LEU HA . . 5.500 5.144 4.982 5.359 . 0 0 "[ . 1 . 2]" 1 1213 1 46 LYS HA 1 51 LEU HB2 . . 3.780 2.515 2.303 2.616 . 0 0 "[ . 1 . 2]" 1 1214 1 46 LYS HA 1 51 LEU HB3 . . 4.270 4.239 4.012 4.318 0.048 15 0 "[ . 1 . 2]" 1 1215 1 46 LYS HA 1 51 LEU MD1 . . 4.280 2.844 2.330 3.491 . 0 0 "[ . 1 . 2]" 1 1216 1 46 LYS HA 1 51 LEU MD2 . . 5.500 4.902 4.581 5.156 . 0 0 "[ . 1 . 2]" 1 1217 1 46 LYS HA 1 54 ILE MD . . 3.590 2.423 2.142 2.777 . 0 0 "[ . 1 . 2]" 1 1218 1 46 LYS HA 1 54 ILE MG . . 4.020 2.747 2.402 3.147 . 0 0 "[ . 1 . 2]" 1 1219 1 46 LYS QB 1 46 LYS HD2 . . 3.620 3.089 2.148 3.336 . 0 0 "[ . 1 . 2]" 1 1220 1 46 LYS QB 1 46 LYS HD3 . . 3.460 2.581 1.991 3.303 . 0 0 "[ . 1 . 2]" 1 1221 1 46 LYS QB 1 46 LYS QE . . 4.270 2.122 1.855 2.799 . 0 0 "[ . 1 . 2]" 1 1222 1 46 LYS QB 1 47 VAL H . . 3.720 2.332 2.152 2.748 . 0 0 "[ . 1 . 2]" 1 1223 1 46 LYS QB 1 47 VAL QG . . 4.280 2.874 2.726 3.326 . 0 0 "[ . 1 . 2]" 1 1224 1 46 LYS QB 1 48 SER H . . 5.500 4.431 4.297 4.662 . 0 0 "[ . 1 . 2]" 1 1225 1 46 LYS QB 1 49 PHE H . . 5.500 4.769 4.578 4.971 . 0 0 "[ . 1 . 2]" 1 1226 1 46 LYS QB 1 51 LEU H . . 5.180 3.181 2.873 3.692 . 0 0 "[ . 1 . 2]" 1 1227 1 46 LYS QB 1 54 ILE MD . . 4.100 3.263 2.969 3.485 . 0 0 "[ . 1 . 2]" 1 1228 1 46 LYS QB 1 54 ILE MG . . 4.300 3.513 3.183 3.969 . 0 0 "[ . 1 . 2]" 1 1229 1 46 LYS HD2 1 53 THR HA . . 4.690 3.514 2.457 4.636 . 0 0 "[ . 1 . 2]" 1 1230 1 46 LYS HD2 1 54 ILE HG12 . . 5.450 2.515 1.946 4.418 . 0 0 "[ . 1 . 2]" 1 1231 1 46 LYS HD2 1 54 ILE MG . . 4.230 3.373 2.998 3.774 . 0 0 "[ . 1 . 2]" 1 1232 1 46 LYS HD3 1 53 THR HA . . 5.500 4.440 1.965 5.591 0.091 18 0 "[ . 1 . 2]" 1 1233 1 46 LYS HD3 1 54 ILE HG12 . . 5.500 3.076 1.998 3.899 . 0 0 "[ . 1 . 2]" 1 1234 1 46 LYS HD3 1 54 ILE MG . . 4.430 3.875 2.507 4.449 0.019 15 0 "[ . 1 . 2]" 1 1235 1 46 LYS QE 1 46 LYS HG2 . . 3.910 2.644 2.037 3.381 . 0 0 "[ . 1 . 2]" 1 1236 1 46 LYS QE 1 47 VAL QG . . 5.070 4.253 3.817 4.659 . 0 0 "[ . 1 . 2]" 1 1237 1 46 LYS QE 1 53 THR HA . . 4.160 3.360 2.952 3.927 . 0 0 "[ . 1 . 2]" 1 1238 1 46 LYS QE 1 54 ILE H . . 5.150 3.846 3.602 3.998 . 0 0 "[ . 1 . 2]" 1 1239 1 46 LYS QE 1 54 ILE MD . . 4.350 3.912 3.166 4.128 . 0 0 "[ . 1 . 2]" 1 1240 1 46 LYS QE 1 54 ILE HG12 . . 4.280 3.630 2.829 3.898 . 0 0 "[ . 1 . 2]" 1 1241 1 46 LYS QE 1 54 ILE MG . . 5.400 3.638 2.802 4.369 . 0 0 "[ . 1 . 2]" 1 1242 1 46 LYS HG2 1 47 VAL H . . 4.840 4.859 4.646 5.176 0.336 12 0 "[ . 1 . 2]" 1 1243 1 46 LYS HG2 1 54 ILE MD . . 3.730 2.543 1.900 3.494 . 0 0 "[ . 1 . 2]" 1 1244 1 46 LYS HG2 1 54 ILE MG . . 3.810 2.117 1.799 2.774 . 0 0 "[ . 1 . 2]" 1 1245 1 46 LYS HG3 1 47 VAL H . . 5.500 4.563 4.285 4.849 . 0 0 "[ . 1 . 2]" 1 1246 1 46 LYS HG3 1 51 LEU MD1 . . 5.350 4.216 3.200 5.183 . 0 0 "[ . 1 . 2]" 1 1247 1 46 LYS HG3 1 54 ILE MD . . 3.640 1.867 1.806 1.950 . 0 0 "[ . 1 . 2]" 1 1248 1 46 LYS HG3 1 54 ILE MG . . 3.840 2.708 1.814 3.310 . 0 0 "[ . 1 . 2]" 1 1249 1 46 LYS HG3 1 56 ILE MD . . 4.800 3.908 3.290 4.819 0.019 5 0 "[ . 1 . 2]" 1 1250 1 47 VAL H 1 47 VAL HB . . 3.460 3.447 2.092 3.526 0.066 5 0 "[ . 1 . 2]" 1 1251 1 47 VAL H 1 47 VAL QG . . 3.270 1.878 1.788 2.726 . 0 0 "[ . 1 . 2]" 1 1252 1 47 VAL H 1 48 SER H . . 3.520 2.769 2.426 2.918 . 0 0 "[ . 1 . 2]" 1 1253 1 47 VAL H 1 48 SER HB2 . . 5.500 4.701 4.312 5.126 . 0 0 "[ . 1 . 2]" 1 1254 1 47 VAL H 1 49 PHE H . . 5.500 4.204 3.955 4.429 . 0 0 "[ . 1 . 2]" 1 1255 1 47 VAL HA 1 47 VAL QG . . 3.030 2.298 2.128 2.371 . 0 0 "[ . 1 . 2]" 1 1256 1 47 VAL HA 1 49 PHE H . . 4.700 4.036 3.806 4.195 . 0 0 "[ . 1 . 2]" 1 1257 1 47 VAL HA 1 50 ASP H . . 5.070 2.837 2.658 3.177 . 0 0 "[ . 1 . 2]" 1 1258 1 47 VAL HA 1 50 ASP HA . . 3.930 2.598 2.383 3.199 . 0 0 "[ . 1 . 2]" 1 1259 1 47 VAL HA 1 51 LEU H . . 4.550 3.295 3.005 4.048 . 0 0 "[ . 1 . 2]" 1 1260 1 47 VAL HB 1 48 SER H . . 3.710 3.764 3.536 3.864 0.154 7 0 "[ . 1 . 2]" 1 1261 1 47 VAL HB 1 49 PHE H . . 5.500 5.446 5.256 5.525 0.025 16 0 "[ . 1 . 2]" 1 1262 1 47 VAL QG 1 48 SER H . . 3.780 2.030 1.875 3.456 . 0 0 "[ . 1 . 2]" 1 1263 1 47 VAL QG 1 48 SER HA . . 4.270 3.042 2.797 3.582 . 0 0 "[ . 1 . 2]" 1 1264 1 47 VAL QG 1 49 PHE H . . 5.500 4.087 3.958 4.645 . 0 0 "[ . 1 . 2]" 1 1265 1 48 SER H 1 48 SER HB2 . . 3.480 2.224 2.026 2.658 . 0 0 "[ . 1 . 2]" 1 1266 1 48 SER H 1 48 SER HB3 . . 3.720 3.105 2.505 3.542 . 0 0 "[ . 1 . 2]" 1 1267 1 48 SER H 1 48 SER HG . . 4.570 3.770 2.666 4.461 . 0 0 "[ . 1 . 2]" 1 1268 1 48 SER H 1 49 PHE H . . 3.570 2.812 2.192 3.021 . 0 0 "[ . 1 . 2]" 1 1269 1 48 SER H 1 49 PHE HB2 . . 5.500 4.852 4.090 5.115 . 0 0 "[ . 1 . 2]" 1 1270 1 48 SER H 1 50 ASP H . . 4.550 3.806 3.316 3.955 . 0 0 "[ . 1 . 2]" 1 1271 1 48 SER HA 1 49 PHE H . . 3.520 3.587 3.554 3.619 0.099 3 0 "[ . 1 . 2]" 1 1272 1 48 SER HA 1 49 PHE HA . . 5.500 4.579 4.538 4.619 . 0 0 "[ . 1 . 2]" 1 1273 1 48 SER HA 1 50 ASP H . . 4.600 4.134 3.898 4.411 . 0 0 "[ . 1 . 2]" 1 1274 1 48 SER HB2 1 49 PHE H . . 3.910 3.406 2.863 4.011 0.101 17 0 "[ . 1 . 2]" 1 1275 1 48 SER HB2 1 49 PHE QD . . 4.930 3.663 2.468 4.476 . 0 0 "[ . 1 . 2]" 1 1276 1 48 SER HB2 1 49 PHE QE . . 5.500 4.694 3.821 5.509 0.009 9 0 "[ . 1 . 2]" 1 1277 1 48 SER HB3 1 49 PHE H . . 3.980 3.071 2.614 3.721 . 0 0 "[ . 1 . 2]" 1 1278 1 48 SER HB3 1 49 PHE QD . . 5.200 2.865 2.275 3.604 . 0 0 "[ . 1 . 2]" 1 1279 1 48 SER HB3 1 49 PHE QE . . 5.500 3.727 3.103 4.373 . 0 0 "[ . 1 . 2]" 1 1280 1 48 SER HG 1 49 PHE H . . 5.500 4.604 3.726 4.967 . 0 0 "[ . 1 . 2]" 1 1281 1 49 PHE H 1 49 PHE HB2 . . 3.310 2.238 2.073 2.445 . 0 0 "[ . 1 . 2]" 1 1282 1 49 PHE H 1 49 PHE HB3 . . 3.770 3.499 3.368 3.640 . 0 0 "[ . 1 . 2]" 1 1283 1 49 PHE H 1 50 ASP H . . 3.240 2.259 2.074 2.404 . 0 0 "[ . 1 . 2]" 1 1284 1 49 PHE H 1 50 ASP HA . . 4.370 4.270 4.095 4.365 . 0 0 "[ . 1 . 2]" 1 1285 1 49 PHE H 1 50 ASP HB2 . . 5.130 5.007 4.884 5.157 0.027 9 0 "[ . 1 . 2]" 1 1286 1 49 PHE H 1 51 LEU H . . 4.520 3.964 3.549 4.300 . 0 0 "[ . 1 . 2]" 1 1287 1 49 PHE H 1 51 LEU MD1 . . 5.420 3.994 3.366 4.367 . 0 0 "[ . 1 . 2]" 1 1288 1 49 PHE H 1 51 LEU MD2 . . 5.500 5.253 4.920 5.456 . 0 0 "[ . 1 . 2]" 1 1289 1 49 PHE H 1 51 LEU HG . . 4.620 3.931 3.600 4.141 . 0 0 "[ . 1 . 2]" 1 1290 1 49 PHE HA 1 51 LEU MD1 . . 5.350 4.520 4.224 4.778 . 0 0 "[ . 1 . 2]" 1 1291 1 49 PHE HB2 1 50 ASP H . . 4.770 3.590 3.124 3.912 . 0 0 "[ . 1 . 2]" 1 1292 1 49 PHE HB2 1 51 LEU H . . 4.970 4.190 3.352 4.846 . 0 0 "[ . 1 . 2]" 1 1293 1 49 PHE HB2 1 51 LEU MD1 . . 3.670 2.310 1.937 2.646 . 0 0 "[ . 1 . 2]" 1 1294 1 49 PHE HB2 1 51 LEU MD2 . . 4.090 3.928 3.360 4.106 0.016 15 0 "[ . 1 . 2]" 1 1295 1 49 PHE HB2 1 51 LEU HG . . 3.530 2.637 2.128 2.896 . 0 0 "[ . 1 . 2]" 1 1296 1 49 PHE HB2 1 92 VAL MG1 . . 5.500 4.042 3.800 4.445 . 0 0 "[ . 1 . 2]" 1 1297 1 49 PHE HB2 1 92 VAL MG2 . . 4.410 4.143 3.652 4.424 0.014 3 0 "[ . 1 . 2]" 1 1298 1 49 PHE HB3 1 50 ASP H . . 5.260 4.165 3.764 4.430 . 0 0 "[ . 1 . 2]" 1 1299 1 49 PHE HB3 1 51 LEU H . . 5.500 4.877 3.982 5.498 . 0 0 "[ . 1 . 2]" 1 1300 1 49 PHE HB3 1 51 LEU MD1 . . 3.690 2.323 1.965 2.727 . 0 0 "[ . 1 . 2]" 1 1301 1 49 PHE HB3 1 51 LEU MD2 . . 4.240 3.088 2.778 3.562 . 0 0 "[ . 1 . 2]" 1 1302 1 49 PHE HB3 1 51 LEU HG . . 3.520 2.533 2.077 2.876 . 0 0 "[ . 1 . 2]" 1 1303 1 49 PHE QD 1 51 LEU MD1 . . 4.280 3.328 2.826 3.602 . 0 0 "[ . 1 . 2]" 1 1304 1 49 PHE QD 1 51 LEU HG . . 5.400 4.391 4.045 4.654 . 0 0 "[ . 1 . 2]" 1 1305 1 49 PHE QD 1 92 VAL MG1 . . 4.530 4.008 3.718 4.261 . 0 0 "[ . 1 . 2]" 1 1306 1 49 PHE QD 1 92 VAL MG2 . . 4.360 3.272 2.869 3.757 . 0 0 "[ . 1 . 2]" 1 1307 1 49 PHE QE 1 92 VAL MG1 . . 5.500 4.603 4.353 4.980 . 0 0 "[ . 1 . 2]" 1 1308 1 49 PHE QE 1 92 VAL MG2 . . 4.250 3.267 2.764 3.953 . 0 0 "[ . 1 . 2]" 1 1309 1 49 PHE HZ 1 92 VAL MG2 . . 4.950 4.487 3.982 4.963 0.013 13 0 "[ . 1 . 2]" 1 1310 1 50 ASP H 1 50 ASP HA . . 2.770 2.186 2.168 2.208 . 0 0 "[ . 1 . 2]" 1 1311 1 50 ASP H 1 50 ASP HB2 . . 3.840 3.103 2.877 3.302 . 0 0 "[ . 1 . 2]" 1 1312 1 50 ASP H 1 50 ASP HB3 . . 4.180 3.857 3.643 4.047 . 0 0 "[ . 1 . 2]" 1 1313 1 50 ASP H 1 51 LEU H . . 3.720 2.989 2.344 3.442 . 0 0 "[ . 1 . 2]" 1 1314 1 50 ASP HA 1 51 LEU H . . 3.170 2.569 2.385 2.868 . 0 0 "[ . 1 . 2]" 1 1315 1 50 ASP HA 1 51 LEU HA . . 5.250 4.441 4.390 4.537 . 0 0 "[ . 1 . 2]" 1 1316 1 50 ASP HA 1 51 LEU MD2 . . 5.500 4.857 4.598 5.145 . 0 0 "[ . 1 . 2]" 1 1317 1 50 ASP HB2 1 51 LEU H . . 5.190 4.682 4.566 4.734 . 0 0 "[ . 1 . 2]" 1 1318 1 50 ASP HB3 1 51 LEU H . . 5.190 4.307 4.202 4.419 . 0 0 "[ . 1 . 2]" 1 1319 1 51 LEU H 1 51 LEU HB2 . . 3.580 2.759 2.541 2.948 . 0 0 "[ . 1 . 2]" 1 1320 1 51 LEU H 1 51 LEU HB3 . . 3.870 3.806 3.683 3.917 0.047 19 0 "[ . 1 . 2]" 1 1321 1 51 LEU H 1 51 LEU MD1 . . 4.490 3.927 3.358 4.287 . 0 0 "[ . 1 . 2]" 1 1322 1 51 LEU H 1 51 LEU MD2 . . 4.030 3.838 3.668 3.957 . 0 0 "[ . 1 . 2]" 1 1323 1 51 LEU H 1 51 LEU HG . . 3.810 2.897 2.535 3.308 . 0 0 "[ . 1 . 2]" 1 1324 1 51 LEU H 1 52 ASN H . . 5.500 4.429 4.307 4.540 . 0 0 "[ . 1 . 2]" 1 1325 1 51 LEU HA 1 51 LEU MD1 . . 4.550 3.937 3.837 4.004 . 0 0 "[ . 1 . 2]" 1 1326 1 51 LEU HA 1 51 LEU MD2 . . 2.990 2.144 1.955 2.562 . 0 0 "[ . 1 . 2]" 1 1327 1 51 LEU HA 1 51 LEU HG . . 3.670 3.088 3.012 3.207 . 0 0 "[ . 1 . 2]" 1 1328 1 51 LEU HA 1 52 ASN H . . 3.340 2.316 2.213 2.437 . 0 0 "[ . 1 . 2]" 1 1329 1 51 LEU HA 1 52 ASN QB . . 4.920 4.127 3.966 4.492 . 0 0 "[ . 1 . 2]" 1 1330 1 51 LEU HA 1 53 THR H . . 5.050 4.372 4.045 4.751 . 0 0 "[ . 1 . 2]" 1 1331 1 51 LEU HB2 1 51 LEU MD1 . . 3.360 2.253 2.174 2.384 . 0 0 "[ . 1 . 2]" 1 1332 1 51 LEU HB2 1 52 ASN H . . 4.550 3.865 3.529 4.198 . 0 0 "[ . 1 . 2]" 1 1333 1 51 LEU HB2 1 53 THR H . . 5.500 4.510 4.278 4.953 . 0 0 "[ . 1 . 2]" 1 1334 1 51 LEU HB2 1 54 ILE HB . . 4.700 4.631 4.344 4.798 0.098 7 0 "[ . 1 . 2]" 1 1335 1 51 LEU HB2 1 54 ILE MG . . 3.150 2.036 1.880 2.143 . 0 0 "[ . 1 . 2]" 1 1336 1 51 LEU HB3 1 51 LEU MD1 . . 3.620 2.505 2.290 2.672 . 0 0 "[ . 1 . 2]" 1 1337 1 51 LEU HB3 1 51 LEU MD2 . . 3.280 2.357 2.211 2.432 . 0 0 "[ . 1 . 2]" 1 1338 1 51 LEU HB3 1 52 ASN H . . 4.170 2.891 2.572 3.233 . 0 0 "[ . 1 . 2]" 1 1339 1 51 LEU HB3 1 53 THR H . . 4.720 3.499 3.112 4.004 . 0 0 "[ . 1 . 2]" 1 1340 1 51 LEU HB3 1 54 ILE MG . . 3.340 2.228 1.912 2.455 . 0 0 "[ . 1 . 2]" 1 1341 1 51 LEU HB3 1 94 GLU HG2 . . 5.500 2.887 2.547 3.215 . 0 0 "[ . 1 . 2]" 1 1342 1 51 LEU HB3 1 94 GLU HG3 . . 5.500 3.799 3.210 4.134 . 0 0 "[ . 1 . 2]" 1 1343 1 51 LEU MD1 1 52 ASN H . . 5.500 4.913 4.694 5.124 . 0 0 "[ . 1 . 2]" 1 1344 1 51 LEU MD1 1 54 ILE H . . 5.500 5.373 5.188 5.534 0.034 15 0 "[ . 1 . 2]" 1 1345 1 51 LEU MD1 1 54 ILE HA . . 5.120 4.276 3.813 4.575 . 0 0 "[ . 1 . 2]" 1 1346 1 51 LEU MD1 1 54 ILE HB . . 4.830 3.322 2.993 3.548 . 0 0 "[ . 1 . 2]" 1 1347 1 51 LEU MD1 1 54 ILE MD . . 4.010 2.731 2.386 3.253 . 0 0 "[ . 1 . 2]" 1 1348 1 51 LEU MD1 1 54 ILE HG13 . . 5.000 4.877 4.772 5.001 0.001 5 0 "[ . 1 . 2]" 1 1349 1 51 LEU MD1 1 54 ILE MG . . 2.740 1.789 1.693 1.916 . 0 0 "[ . 1 . 2]" 1 1350 1 51 LEU MD1 1 55 GLN H . . 5.500 5.220 4.948 5.389 . 0 0 "[ . 1 . 2]" 1 1351 1 51 LEU MD1 1 92 VAL HB . . 5.500 4.271 4.129 4.472 . 0 0 "[ . 1 . 2]" 1 1352 1 51 LEU MD1 1 92 VAL MG1 . . 3.360 2.208 2.096 2.379 . 0 0 "[ . 1 . 2]" 1 1353 1 51 LEU MD1 1 92 VAL MG2 . . 4.140 3.177 2.902 3.519 . 0 0 "[ . 1 . 2]" 1 1354 1 51 LEU MD1 1 94 GLU HA . . 4.420 3.660 3.271 3.973 . 0 0 "[ . 1 . 2]" 1 1355 1 51 LEU MD1 1 94 GLU HB2 . . 5.370 4.213 3.827 4.725 . 0 0 "[ . 1 . 2]" 1 1356 1 51 LEU MD1 1 94 GLU HB3 . . 5.500 5.070 4.678 5.507 0.007 10 0 "[ . 1 . 2]" 1 1357 1 51 LEU MD1 1 94 GLU HG2 . . 5.390 2.669 2.177 3.139 . 0 0 "[ . 1 . 2]" 1 1358 1 51 LEU MD1 1 94 GLU HG3 . . 4.860 3.225 2.391 3.864 . 0 0 "[ . 1 . 2]" 1 1359 1 51 LEU MD2 1 52 ASN H . . 4.530 3.710 3.378 4.036 . 0 0 "[ . 1 . 2]" 1 1360 1 51 LEU MD2 1 52 ASN QB . . 5.500 5.073 4.852 5.433 . 0 0 "[ . 1 . 2]" 1 1361 1 51 LEU MD2 1 53 THR H . . 5.500 4.815 4.158 5.343 . 0 0 "[ . 1 . 2]" 1 1362 1 51 LEU MD2 1 94 GLU HA . . 4.650 4.474 4.260 4.667 0.017 7 0 "[ . 1 . 2]" 1 1363 1 51 LEU MD2 1 94 GLU HB2 . . 4.440 4.207 3.772 4.439 . 0 0 "[ . 1 . 2]" 1 1364 1 51 LEU MD2 1 94 GLU HB3 . . 5.490 4.732 4.431 5.210 . 0 0 "[ . 1 . 2]" 1 1365 1 51 LEU MD2 1 94 GLU HG2 . . 3.840 2.730 2.465 3.062 . 0 0 "[ . 1 . 2]" 1 1366 1 51 LEU MD2 1 94 GLU HG3 . . 3.870 2.337 1.982 2.893 . 0 0 "[ . 1 . 2]" 1 1367 1 52 ASN H 1 52 ASN QB . . 3.620 2.152 2.021 2.446 . 0 0 "[ . 1 . 2]" 1 1368 1 52 ASN H 1 53 THR H . . 4.340 2.416 2.086 2.774 . 0 0 "[ . 1 . 2]" 1 1369 1 52 ASN QB 1 53 THR H . . 4.080 2.443 2.192 2.703 . 0 0 "[ . 1 . 2]" 1 1370 1 52 ASN QB 1 53 THR HB . . 5.110 4.675 4.165 4.897 . 0 0 "[ . 1 . 2]" 1 1371 1 52 ASN QB 1 53 THR MG . . 4.040 2.554 2.266 4.059 0.019 7 0 "[ . 1 . 2]" 1 1372 1 53 THR H 1 53 THR MG . . 4.440 3.119 2.919 3.916 . 0 0 "[ . 1 . 2]" 1 1373 1 53 THR H 1 54 ILE H . . 5.500 4.283 4.218 4.363 . 0 0 "[ . 1 . 2]" 1 1374 1 53 THR H 1 54 ILE MG . . 4.810 3.398 3.234 3.632 . 0 0 "[ . 1 . 2]" 1 1375 1 53 THR HA 1 53 THR MG . . 3.330 2.296 2.190 2.416 . 0 0 "[ . 1 . 2]" 1 1376 1 53 THR HA 1 54 ILE H . . 2.820 2.166 2.151 2.202 . 0 0 "[ . 1 . 2]" 1 1377 1 53 THR HA 1 54 ILE HA . . 5.100 4.356 4.343 4.377 . 0 0 "[ . 1 . 2]" 1 1378 1 53 THR HA 1 54 ILE HG12 . . 4.790 4.098 3.796 4.343 . 0 0 "[ . 1 . 2]" 1 1379 1 53 THR HA 1 54 ILE HG13 . . 5.500 5.392 5.185 5.542 0.042 10 0 "[ . 1 . 2]" 1 1380 1 53 THR HA 1 54 ILE MG . . 3.950 3.440 3.246 3.671 . 0 0 "[ . 1 . 2]" 1 1381 1 53 THR HB 1 54 ILE H . . 3.730 3.504 3.321 3.796 0.066 7 0 "[ . 1 . 2]" 1 1382 1 53 THR HB 1 54 ILE HA . . 5.050 4.495 4.360 4.592 . 0 0 "[ . 1 . 2]" 1 1383 1 53 THR HB 1 54 ILE MG . . 4.920 4.780 4.566 4.945 0.025 4 0 "[ . 1 . 2]" 1 1384 1 53 THR HB 1 95 GLY H . . 4.000 3.569 3.112 4.008 0.008 20 0 "[ . 1 . 2]" 1 1385 1 53 THR HB 1 95 GLY QA . . 4.200 3.129 2.350 3.639 . 0 0 "[ . 1 . 2]" 1 1386 1 53 THR MG 1 54 ILE H . . 4.030 3.910 2.740 4.030 0.000 19 0 "[ . 1 . 2]" 1 1387 1 53 THR MG 1 95 GLY H . . 5.050 4.768 4.399 5.012 . 0 0 "[ . 1 . 2]" 1 1388 1 53 THR MG 1 95 GLY QA . . 4.600 4.302 3.842 4.495 . 0 0 "[ . 1 . 2]" 1 1389 1 53 THR MG 1 96 SER H . . 4.400 3.728 3.036 4.408 0.008 15 0 "[ . 1 . 2]" 1 1390 1 53 THR MG 1 96 SER HA . . 5.350 4.983 3.122 5.343 . 0 0 "[ . 1 . 2]" 1 1391 1 53 THR MG 1 96 SER HB2 . . 5.210 4.406 3.062 5.836 0.626 11 1 "[ . 1+ . 2]" 1 1392 1 54 ILE H 1 54 ILE HG12 . . 3.540 2.439 2.243 2.647 . 0 0 "[ . 1 . 2]" 1 1393 1 54 ILE H 1 54 ILE HG13 . . 3.900 3.346 3.169 3.470 . 0 0 "[ . 1 . 2]" 1 1394 1 54 ILE H 1 54 ILE MG . . 3.690 2.802 2.631 3.054 . 0 0 "[ . 1 . 2]" 1 1395 1 54 ILE HA 1 54 ILE MD . . 4.620 4.120 4.102 4.134 . 0 0 "[ . 1 . 2]" 1 1396 1 54 ILE HA 1 54 ILE HG12 . . 4.210 3.777 3.721 3.839 . 0 0 "[ . 1 . 2]" 1 1397 1 54 ILE HA 1 54 ILE HG13 . . 3.720 3.654 3.565 3.741 0.021 6 0 "[ . 1 . 2]" 1 1398 1 54 ILE HA 1 54 ILE MG . . 3.300 2.423 2.251 2.520 . 0 0 "[ . 1 . 2]" 1 1399 1 54 ILE HA 1 55 GLN H . . 2.910 2.503 2.447 2.594 . 0 0 "[ . 1 . 2]" 1 1400 1 54 ILE HA 1 55 GLN HA . . 4.820 4.424 4.392 4.463 . 0 0 "[ . 1 . 2]" 1 1401 1 54 ILE HA 1 55 GLN HB2 . . 5.500 4.034 3.998 4.210 . 0 0 "[ . 1 . 2]" 1 1402 1 54 ILE HA 1 92 VAL MG1 . . 4.510 4.016 3.774 4.162 . 0 0 "[ . 1 . 2]" 1 1403 1 54 ILE HA 1 93 HIS H . . 4.970 4.043 3.888 4.232 . 0 0 "[ . 1 . 2]" 1 1404 1 54 ILE HA 1 94 GLU HA . . 3.500 2.018 1.985 2.231 . 0 0 "[ . 1 . 2]" 1 1405 1 54 ILE HA 1 95 GLY H . . 3.820 2.565 1.993 2.890 . 0 0 "[ . 1 . 2]" 1 1406 1 54 ILE HA 1 95 GLY QA . . 5.040 3.880 3.525 4.334 . 0 0 "[ . 1 . 2]" 1 1407 1 54 ILE HB 1 54 ILE MD . . 3.190 2.383 2.295 2.468 . 0 0 "[ . 1 . 2]" 1 1408 1 54 ILE HB 1 54 ILE HG13 . . 2.750 2.452 2.418 2.502 . 0 0 "[ . 1 . 2]" 1 1409 1 54 ILE HB 1 55 GLN H . . 3.390 2.491 2.288 2.641 . 0 0 "[ . 1 . 2]" 1 1410 1 54 ILE HB 1 56 ILE H . . 5.500 3.865 3.660 4.028 . 0 0 "[ . 1 . 2]" 1 1411 1 54 ILE HB 1 56 ILE HG12 . . 4.920 4.972 4.948 5.011 0.091 12 0 "[ . 1 . 2]" 1 1412 1 54 ILE HB 1 56 ILE HG13 . . 4.370 3.591 3.471 3.720 . 0 0 "[ . 1 . 2]" 1 1413 1 54 ILE HB 1 92 VAL HA . . 5.500 3.937 3.750 4.196 . 0 0 "[ . 1 . 2]" 1 1414 1 54 ILE HB 1 92 VAL MG1 . . 3.720 2.328 2.209 2.401 . 0 0 "[ . 1 . 2]" 1 1415 1 54 ILE HB 1 92 VAL MG2 . . 4.270 3.212 3.033 3.362 . 0 0 "[ . 1 . 2]" 1 1416 1 54 ILE HB 1 93 HIS H . . 5.340 2.902 2.602 3.245 . 0 0 "[ . 1 . 2]" 1 1417 1 54 ILE HB 1 94 GLU HA . . 4.750 3.235 2.983 3.497 . 0 0 "[ . 1 . 2]" 1 1418 1 54 ILE HB 1 95 GLY H . . 5.500 4.775 4.280 5.125 . 0 0 "[ . 1 . 2]" 1 1419 1 54 ILE MD 1 55 GLN H . . 4.250 4.094 3.973 4.247 . 0 0 "[ . 1 . 2]" 1 1420 1 54 ILE MD 1 55 GLN HA . . 5.500 4.985 4.798 5.108 . 0 0 "[ . 1 . 2]" 1 1421 1 54 ILE MD 1 56 ILE H . . 5.440 3.443 3.213 3.621 . 0 0 "[ . 1 . 2]" 1 1422 1 54 ILE MD 1 56 ILE HA . . 5.500 4.180 3.961 4.362 . 0 0 "[ . 1 . 2]" 1 1423 1 54 ILE MD 1 56 ILE HB . . 4.880 4.276 4.082 4.499 . 0 0 "[ . 1 . 2]" 1 1424 1 54 ILE MD 1 56 ILE MD . . 3.180 1.980 1.839 2.257 . 0 0 "[ . 1 . 2]" 1 1425 1 54 ILE MD 1 56 ILE HG12 . . 3.910 2.849 2.618 3.027 . 0 0 "[ . 1 . 2]" 1 1426 1 54 ILE MD 1 56 ILE HG13 . . 3.230 2.126 1.952 2.303 . 0 0 "[ . 1 . 2]" 1 1427 1 54 ILE MD 1 92 VAL HA . . 5.500 3.634 3.406 3.843 . 0 0 "[ . 1 . 2]" 1 1428 1 54 ILE MD 1 94 GLU HA . . 5.500 4.890 4.599 5.210 . 0 0 "[ . 1 . 2]" 1 1429 1 54 ILE HG12 1 54 ILE MG . . 3.170 2.460 2.370 2.550 . 0 0 "[ . 1 . 2]" 1 1430 1 54 ILE HG12 1 55 GLN H . . 4.380 4.427 4.373 4.473 0.093 20 0 "[ . 1 . 2]" 1 1431 1 54 ILE HG12 1 92 VAL MG1 . . 4.830 4.758 4.619 4.856 0.026 2 0 "[ . 1 . 2]" 1 1432 1 54 ILE HG13 1 54 ILE MG . . 3.480 3.236 3.226 3.241 . 0 0 "[ . 1 . 2]" 1 1433 1 54 ILE HG13 1 55 GLN H . . 3.620 3.239 3.142 3.349 . 0 0 "[ . 1 . 2]" 1 1434 1 54 ILE HG13 1 56 ILE H . . 5.500 2.476 2.341 2.674 . 0 0 "[ . 1 . 2]" 1 1435 1 54 ILE HG13 1 56 ILE MD . . 4.460 2.863 2.323 3.144 . 0 0 "[ . 1 . 2]" 1 1436 1 54 ILE HG13 1 56 ILE HG12 . . 5.000 4.170 3.954 4.324 . 0 0 "[ . 1 . 2]" 1 1437 1 54 ILE HG13 1 56 ILE HG13 . . 3.750 2.539 2.310 2.749 . 0 0 "[ . 1 . 2]" 1 1438 1 54 ILE HG13 1 92 VAL MG1 . . 4.130 4.161 4.123 4.188 0.058 10 0 "[ . 1 . 2]" 1 1439 1 54 ILE HG13 1 92 VAL MG2 . . 5.070 3.783 3.508 4.078 . 0 0 "[ . 1 . 2]" 1 1440 1 54 ILE HG13 1 93 HIS H . . 5.500 4.149 3.921 4.394 . 0 0 "[ . 1 . 2]" 1 1441 1 54 ILE MG 1 55 GLN H . . 4.290 3.901 3.742 4.022 . 0 0 "[ . 1 . 2]" 1 1442 1 54 ILE MG 1 92 VAL MG1 . . 3.390 2.726 2.301 2.985 . 0 0 "[ . 1 . 2]" 1 1443 1 54 ILE MG 1 94 GLU H . . 5.500 4.184 3.685 4.596 . 0 0 "[ . 1 . 2]" 1 1444 1 54 ILE MG 1 94 GLU HA . . 3.710 2.513 1.977 2.886 . 0 0 "[ . 1 . 2]" 1 1445 1 54 ILE MG 1 94 GLU HB3 . . 5.090 4.676 4.242 5.036 . 0 0 "[ . 1 . 2]" 1 1446 1 54 ILE MG 1 94 GLU HG3 . . 5.500 3.751 3.394 4.013 . 0 0 "[ . 1 . 2]" 1 1447 1 54 ILE MG 1 95 GLY H . . 4.750 3.591 3.219 3.961 . 0 0 "[ . 1 . 2]" 1 1448 1 55 GLN H 1 55 GLN HB2 . . 4.030 2.955 2.838 3.242 . 0 0 "[ . 1 . 2]" 1 1449 1 55 GLN H 1 55 GLN HB3 . . 3.880 2.983 2.843 3.035 . 0 0 "[ . 1 . 2]" 1 1450 1 55 GLN H 1 55 GLN HG2 . . 5.010 5.012 4.739 5.078 0.068 13 0 "[ . 1 . 2]" 1 1451 1 55 GLN H 1 55 GLN HG3 . . 4.830 4.666 4.610 5.037 0.207 6 0 "[ . 1 . 2]" 1 1452 1 55 GLN H 1 56 ILE H . . 5.160 3.145 3.010 3.298 . 0 0 "[ . 1 . 2]" 1 1453 1 55 GLN H 1 56 ILE HA . . 5.040 4.147 4.079 4.244 . 0 0 "[ . 1 . 2]" 1 1454 1 55 GLN H 1 56 ILE HG13 . . 5.500 4.068 3.937 4.224 . 0 0 "[ . 1 . 2]" 1 1455 1 55 GLN H 1 92 VAL HA . . 5.130 4.080 3.882 4.236 . 0 0 "[ . 1 . 2]" 1 1456 1 55 GLN H 1 92 VAL MG1 . . 3.850 3.681 3.449 3.821 . 0 0 "[ . 1 . 2]" 1 1457 1 55 GLN H 1 93 HIS H . . 3.880 2.162 2.046 2.353 . 0 0 "[ . 1 . 2]" 1 1458 1 55 GLN H 1 93 HIS HA . . 5.500 4.131 4.002 4.318 . 0 0 "[ . 1 . 2]" 1 1459 1 55 GLN H 1 93 HIS HB2 . . 4.960 3.136 2.810 3.472 . 0 0 "[ . 1 . 2]" 1 1460 1 55 GLN H 1 93 HIS HB3 . . 5.500 3.989 3.763 4.289 . 0 0 "[ . 1 . 2]" 1 1461 1 55 GLN H 1 94 GLU H . . 5.500 4.253 4.066 4.370 . 0 0 "[ . 1 . 2]" 1 1462 1 55 GLN H 1 94 GLU HA . . 4.480 3.611 3.425 3.724 . 0 0 "[ . 1 . 2]" 1 1463 1 55 GLN H 1 95 GLY H . . 4.920 4.616 3.942 4.856 . 0 0 "[ . 1 . 2]" 1 1464 1 55 GLN HA 1 55 GLN HG2 . . 3.630 3.574 2.528 3.666 0.036 4 0 "[ . 1 . 2]" 1 1465 1 55 GLN HA 1 55 GLN HG3 . . 4.270 2.813 2.636 3.676 . 0 0 "[ . 1 . 2]" 1 1466 1 55 GLN HA 1 56 ILE H . . 2.800 2.543 2.485 2.603 . 0 0 "[ . 1 . 2]" 1 1467 1 55 GLN HA 1 56 ILE HA . . 4.790 4.658 4.619 4.694 . 0 0 "[ . 1 . 2]" 1 1468 1 55 GLN HA 1 56 ILE HB . . 4.250 4.549 4.506 4.601 0.351 17 0 "[ . 1 . 2]" 1 1469 1 55 GLN HA 1 56 ILE MD . . 5.280 4.648 4.278 4.933 . 0 0 "[ . 1 . 2]" 1 1470 1 55 GLN HA 1 56 ILE HG13 . . 4.720 4.476 4.367 4.589 . 0 0 "[ . 1 . 2]" 1 1471 1 55 GLN HB2 1 56 ILE H . . 4.690 4.725 4.714 4.734 0.044 20 0 "[ . 1 . 2]" 1 1472 1 55 GLN HB2 1 57 LYS QE . . 5.250 4.721 4.598 4.934 . 0 0 "[ . 1 . 2]" 1 1473 1 55 GLN HB2 1 93 HIS H . . 4.740 4.722 4.569 4.801 0.061 20 0 "[ . 1 . 2]" 1 1474 1 55 GLN HB2 1 93 HIS HB2 . . 3.980 3.779 3.509 4.006 0.026 13 0 "[ . 1 . 2]" 1 1475 1 55 GLN HB2 1 93 HIS HB3 . . 4.400 4.129 3.723 4.402 0.002 9 0 "[ . 1 . 2]" 1 1476 1 55 GLN HB3 1 56 ILE H . . 4.490 4.455 4.436 4.520 0.030 13 0 "[ . 1 . 2]" 1 1477 1 55 GLN HB3 1 56 ILE HA . . 5.030 5.072 5.047 5.176 0.146 13 0 "[ . 1 . 2]" 1 1478 1 55 GLN HB3 1 57 LYS QE . . 4.690 3.418 3.093 4.065 . 0 0 "[ . 1 . 2]" 1 1479 1 55 GLN HB3 1 57 LYS QG . . 4.230 3.627 3.499 3.981 . 0 0 "[ . 1 . 2]" 1 1480 1 55 GLN HB3 1 93 HIS H . . 4.680 4.000 3.630 4.153 . 0 0 "[ . 1 . 2]" 1 1481 1 55 GLN HB3 1 93 HIS HB2 . . 4.000 2.324 1.997 2.595 . 0 0 "[ . 1 . 2]" 1 1482 1 55 GLN HB3 1 93 HIS HB3 . . 4.400 3.015 2.677 3.316 . 0 0 "[ . 1 . 2]" 1 1483 1 55 GLN QE 1 56 ILE H . . 4.960 4.245 3.220 4.592 . 0 0 "[ . 1 . 2]" 1 1484 1 55 GLN QE 1 67 SER QB . . 4.410 2.727 2.300 3.531 . 0 0 "[ . 1 . 2]" 1 1485 1 55 GLN QE 1 68 ILE H . . 4.790 3.918 2.300 4.638 . 0 0 "[ . 1 . 2]" 1 1486 1 55 GLN HG2 1 57 LYS QE . . 3.740 3.312 2.972 4.327 0.587 6 1 "[ .+ 1 . 2]" 1 1487 1 55 GLN HG2 1 57 LYS QG . . 4.730 4.306 4.039 4.656 . 0 0 "[ . 1 . 2]" 1 1488 1 55 GLN HG2 1 67 SER QB . . 5.500 3.591 3.213 4.263 . 0 0 "[ . 1 . 2]" 1 1489 1 55 GLN HG3 1 56 ILE H . . 4.810 4.547 4.309 5.721 0.911 6 1 "[ .+ 1 . 2]" 1 1490 1 55 GLN HG3 1 57 LYS QE . . 4.820 2.984 2.251 3.368 . 0 0 "[ . 1 . 2]" 1 1491 1 55 GLN HG3 1 57 LYS QG . . 4.630 3.342 2.671 4.125 . 0 0 "[ . 1 . 2]" 1 1492 1 55 GLN HG3 1 67 SER QB . . 5.500 2.523 2.068 3.587 . 0 0 "[ . 1 . 2]" 1 1493 1 56 ILE H 1 56 ILE HB . . 3.180 2.491 2.410 2.568 . 0 0 "[ . 1 . 2]" 1 1494 1 56 ILE H 1 56 ILE MD . . 4.660 2.852 2.515 3.071 . 0 0 "[ . 1 . 2]" 1 1495 1 56 ILE H 1 56 ILE HG12 . . 4.560 3.533 3.468 3.575 . 0 0 "[ . 1 . 2]" 1 1496 1 56 ILE H 1 56 ILE HG13 . . 3.730 2.028 1.939 2.109 . 0 0 "[ . 1 . 2]" 1 1497 1 56 ILE H 1 56 ILE MG . . 4.540 3.718 3.709 3.724 . 0 0 "[ . 1 . 2]" 1 1498 1 56 ILE H 1 57 LYS H . . 5.450 4.670 4.661 4.675 . 0 0 "[ . 1 . 2]" 1 1499 1 56 ILE H 1 57 LYS QG . . 5.450 4.741 4.698 4.811 . 0 0 "[ . 1 . 2]" 1 1500 1 56 ILE H 1 68 ILE H . . 5.360 5.143 5.056 5.286 . 0 0 "[ . 1 . 2]" 1 1501 1 56 ILE H 1 92 VAL HA . . 5.500 3.863 3.773 4.053 . 0 0 "[ . 1 . 2]" 1 1502 1 56 ILE H 1 92 VAL MG2 . . 5.480 4.137 3.974 4.244 . 0 0 "[ . 1 . 2]" 1 1503 1 56 ILE HA 1 56 ILE MD . . 4.010 3.823 3.788 3.842 . 0 0 "[ . 1 . 2]" 1 1504 1 56 ILE HA 1 56 ILE HG12 . . 3.440 2.864 2.725 3.048 . 0 0 "[ . 1 . 2]" 1 1505 1 56 ILE HA 1 56 ILE HG13 . . 3.910 2.541 2.465 2.605 . 0 0 "[ . 1 . 2]" 1 1506 1 56 ILE HA 1 56 ILE MG . . 3.210 2.413 2.359 2.469 . 0 0 "[ . 1 . 2]" 1 1507 1 56 ILE HA 1 57 LYS H . . 2.800 2.367 2.329 2.410 . 0 0 "[ . 1 . 2]" 1 1508 1 56 ILE HA 1 57 LYS HA . . 5.400 4.475 4.461 4.491 . 0 0 "[ . 1 . 2]" 1 1509 1 56 ILE HA 1 57 LYS HB2 . . 4.810 4.193 4.137 4.217 . 0 0 "[ . 1 . 2]" 1 1510 1 56 ILE HA 1 57 LYS HB3 . . 5.390 5.557 5.536 5.565 0.175 3 0 "[ . 1 . 2]" 1 1511 1 56 ILE HA 1 57 LYS QG . . 4.370 3.974 3.909 4.034 . 0 0 "[ . 1 . 2]" 1 1512 1 56 ILE HA 1 91 GLN H . . 5.100 4.002 3.849 4.273 . 0 0 "[ . 1 . 2]" 1 1513 1 56 ILE HA 1 92 VAL HA . . 3.320 2.115 2.037 2.225 . 0 0 "[ . 1 . 2]" 1 1514 1 56 ILE HA 1 92 VAL MG1 . . 4.920 4.334 4.206 4.410 . 0 0 "[ . 1 . 2]" 1 1515 1 56 ILE HA 1 92 VAL MG2 . . 4.240 3.285 3.137 3.389 . 0 0 "[ . 1 . 2]" 1 1516 1 56 ILE HA 1 93 HIS H . . 3.650 3.077 3.006 3.165 . 0 0 "[ . 1 . 2]" 1 1517 1 56 ILE HA 1 93 HIS HD2 . . 4.930 3.924 3.188 4.546 . 0 0 "[ . 1 . 2]" 1 1518 1 56 ILE HB 1 56 ILE MD . . 3.360 2.083 1.977 2.198 . 0 0 "[ . 1 . 2]" 1 1519 1 56 ILE HB 1 57 LYS H . . 5.130 3.927 3.827 4.009 . 0 0 "[ . 1 . 2]" 1 1520 1 56 ILE HB 1 68 ILE H . . 5.000 3.919 3.688 4.249 . 0 0 "[ . 1 . 2]" 1 1521 1 56 ILE HB 1 68 ILE HB . . 4.020 4.046 4.028 4.072 0.052 4 0 "[ . 1 . 2]" 1 1522 1 56 ILE HB 1 68 ILE MD . . 4.930 4.516 4.215 4.671 . 0 0 "[ . 1 . 2]" 1 1523 1 56 ILE HB 1 68 ILE MG . . 5.440 5.272 5.221 5.370 . 0 0 "[ . 1 . 2]" 1 1524 1 56 ILE HB 1 90 MET ME . . 4.430 3.827 3.562 4.035 . 0 0 "[ . 1 . 2]" 1 1525 1 56 ILE HB 1 92 VAL HA . . 5.400 4.733 4.639 4.891 . 0 0 "[ . 1 . 2]" 1 1526 1 56 ILE MD 1 56 ILE MG . . 3.090 2.419 2.256 2.671 . 0 0 "[ . 1 . 2]" 1 1527 1 56 ILE MD 1 57 LYS H . . 5.090 4.946 4.820 5.057 . 0 0 "[ . 1 . 2]" 1 1528 1 56 ILE MD 1 90 MET ME . . 4.440 3.286 2.994 3.757 . 0 0 "[ . 1 . 2]" 1 1529 1 56 ILE MD 1 92 VAL HA . . 4.850 4.421 4.287 4.598 . 0 0 "[ . 1 . 2]" 1 1530 1 56 ILE MD 1 93 HIS H . . 5.290 5.176 5.019 5.306 0.016 12 0 "[ . 1 . 2]" 1 1531 1 56 ILE HG12 1 56 ILE MG . . 3.120 2.250 2.145 2.317 . 0 0 "[ . 1 . 2]" 1 1532 1 56 ILE HG12 1 57 LYS H . . 4.780 4.241 4.068 4.463 . 0 0 "[ . 1 . 2]" 1 1533 1 56 ILE HG12 1 92 VAL H . . 5.500 4.783 4.490 5.105 . 0 0 "[ . 1 . 2]" 1 1534 1 56 ILE HG12 1 92 VAL HA . . 4.340 3.140 2.841 3.493 . 0 0 "[ . 1 . 2]" 1 1535 1 56 ILE HG12 1 92 VAL HB . . 5.500 4.839 4.584 5.070 . 0 0 "[ . 1 . 2]" 1 1536 1 56 ILE HG12 1 92 VAL MG1 . . 4.440 4.458 4.368 4.491 0.051 12 0 "[ . 1 . 2]" 1 1537 1 56 ILE HG12 1 92 VAL MG2 . . 3.750 2.161 1.979 2.320 . 0 0 "[ . 1 . 2]" 1 1538 1 56 ILE HG12 1 93 HIS H . . 5.170 4.765 4.544 5.053 . 0 0 "[ . 1 . 2]" 1 1539 1 56 ILE HG13 1 56 ILE MG . . 3.630 3.160 3.093 3.198 . 0 0 "[ . 1 . 2]" 1 1540 1 56 ILE HG13 1 57 LYS H . . 4.600 4.620 4.561 4.672 0.072 12 0 "[ . 1 . 2]" 1 1541 1 56 ILE HG13 1 92 VAL HA . . 4.640 2.961 2.842 3.199 . 0 0 "[ . 1 . 2]" 1 1542 1 56 ILE HG13 1 92 VAL MG1 . . 5.130 3.959 3.660 4.116 . 0 0 "[ . 1 . 2]" 1 1543 1 56 ILE HG13 1 92 VAL MG2 . . 3.910 2.611 2.402 2.844 . 0 0 "[ . 1 . 2]" 1 1544 1 56 ILE HG13 1 93 HIS H . . 5.500 3.730 3.634 3.864 . 0 0 "[ . 1 . 2]" 1 1545 1 56 ILE MG 1 57 LYS H . . 3.380 1.941 1.875 2.027 . 0 0 "[ . 1 . 2]" 1 1546 1 56 ILE MG 1 57 LYS HA . . 4.800 3.343 3.255 3.433 . 0 0 "[ . 1 . 2]" 1 1547 1 56 ILE MG 1 58 TYR HB3 . . 5.410 3.543 3.491 3.640 . 0 0 "[ . 1 . 2]" 1 1548 1 56 ILE MG 1 58 TYR QD . . 4.890 4.162 4.003 4.265 . 0 0 "[ . 1 . 2]" 1 1549 1 56 ILE MG 1 67 SER HA . . 4.850 4.365 4.043 4.718 . 0 0 "[ . 1 . 2]" 1 1550 1 56 ILE MG 1 68 ILE H . . 5.410 3.941 3.689 4.186 . 0 0 "[ . 1 . 2]" 1 1551 1 56 ILE MG 1 68 ILE MD . . 3.640 3.318 2.974 3.511 . 0 0 "[ . 1 . 2]" 1 1552 1 56 ILE MG 1 68 ILE MG . . 5.210 4.948 4.723 5.151 . 0 0 "[ . 1 . 2]" 1 1553 1 56 ILE MG 1 90 MET HA . . 4.610 3.553 3.420 3.654 . 0 0 "[ . 1 . 2]" 1 1554 1 56 ILE MG 1 90 MET HB2 . . 3.920 3.210 3.030 3.428 . 0 0 "[ . 1 . 2]" 1 1555 1 56 ILE MG 1 90 MET HB3 . . 3.430 1.951 1.825 2.125 . 0 0 "[ . 1 . 2]" 1 1556 1 56 ILE MG 1 90 MET ME . . 3.210 2.006 1.935 2.167 . 0 0 "[ . 1 . 2]" 1 1557 1 56 ILE MG 1 90 MET HG2 . . 4.220 3.038 2.955 3.114 . 0 0 "[ . 1 . 2]" 1 1558 1 56 ILE MG 1 90 MET HG3 . . 4.380 4.147 4.035 4.273 . 0 0 "[ . 1 . 2]" 1 1559 1 56 ILE MG 1 91 GLN H . . 4.310 2.794 2.570 3.087 . 0 0 "[ . 1 . 2]" 1 1560 1 56 ILE MG 1 92 VAL HA . . 4.650 3.572 3.448 3.670 . 0 0 "[ . 1 . 2]" 1 1561 1 56 ILE MG 1 92 VAL MG1 . . 5.300 5.186 4.997 5.312 0.012 6 0 "[ . 1 . 2]" 1 1562 1 56 ILE MG 1 92 VAL MG2 . . 4.170 3.362 3.165 3.581 . 0 0 "[ . 1 . 2]" 1 1563 1 56 ILE MG 1 93 HIS H . . 4.900 4.990 4.977 5.007 0.107 8 0 "[ . 1 . 2]" 1 1564 1 57 LYS H 1 57 LYS HB2 . . 3.810 2.861 2.846 2.870 . 0 0 "[ . 1 . 2]" 1 1565 1 57 LYS H 1 57 LYS QD . . 4.960 5.023 5.007 5.045 0.085 12 0 "[ . 1 . 2]" 1 1566 1 57 LYS H 1 57 LYS QG . . 3.570 3.539 3.507 3.592 0.022 5 0 "[ . 1 . 2]" 1 1567 1 57 LYS H 1 58 TYR H . . 5.340 4.044 4.029 4.072 . 0 0 "[ . 1 . 2]" 1 1568 1 57 LYS H 1 68 ILE H . . 5.500 5.426 5.305 5.520 0.020 13 0 "[ . 1 . 2]" 1 1569 1 57 LYS H 1 90 MET HA . . 5.000 3.829 3.725 3.943 . 0 0 "[ . 1 . 2]" 1 1570 1 57 LYS H 1 90 MET HB3 . . 4.240 3.315 3.159 3.505 . 0 0 "[ . 1 . 2]" 1 1571 1 57 LYS H 1 90 MET ME . . 5.500 4.762 4.602 4.942 . 0 0 "[ . 1 . 2]" 1 1572 1 57 LYS H 1 91 GLN H . . 3.910 2.059 1.901 2.327 . 0 0 "[ . 1 . 2]" 1 1573 1 57 LYS H 1 91 GLN HA . . 4.400 4.292 4.204 4.419 0.019 2 0 "[ . 1 . 2]" 1 1574 1 57 LYS H 1 91 GLN QB . . 4.340 3.535 3.398 3.704 . 0 0 "[ . 1 . 2]" 1 1575 1 57 LYS H 1 92 VAL HA . . 4.190 3.828 3.662 3.933 . 0 0 "[ . 1 . 2]" 1 1576 1 57 LYS H 1 92 VAL MG2 . . 5.280 4.594 4.410 4.792 . 0 0 "[ . 1 . 2]" 1 1577 1 57 LYS H 1 93 HIS HD2 . . 4.700 3.698 3.154 4.315 . 0 0 "[ . 1 . 2]" 1 1578 1 57 LYS HA 1 57 LYS QD . . 4.220 3.532 3.421 3.709 . 0 0 "[ . 1 . 2]" 1 1579 1 57 LYS HA 1 57 LYS QG . . 3.130 2.095 2.078 2.110 . 0 0 "[ . 1 . 2]" 1 1580 1 57 LYS HA 1 58 TYR H . . 3.020 2.179 2.177 2.181 . 0 0 "[ . 1 . 2]" 1 1581 1 57 LYS HA 1 58 TYR QD . . 4.200 4.000 3.824 4.084 . 0 0 "[ . 1 . 2]" 1 1582 1 57 LYS HA 1 66 VAL H . . 5.390 3.638 3.504 3.731 . 0 0 "[ . 1 . 2]" 1 1583 1 57 LYS HA 1 66 VAL QG . . 5.490 4.531 4.480 4.604 . 0 0 "[ . 1 . 2]" 1 1584 1 57 LYS HA 1 67 SER H . . 5.260 4.265 4.046 4.622 . 0 0 "[ . 1 . 2]" 1 1585 1 57 LYS HA 1 67 SER HA . . 3.090 2.301 2.093 2.612 . 0 0 "[ . 1 . 2]" 1 1586 1 57 LYS HA 1 67 SER QB . . 4.640 3.810 3.493 4.425 . 0 0 "[ . 1 . 2]" 1 1587 1 57 LYS HA 1 68 ILE H . . 3.890 3.739 3.582 3.834 . 0 0 "[ . 1 . 2]" 1 1588 1 57 LYS HA 1 68 ILE MD . . 5.030 4.798 4.484 5.016 . 0 0 "[ . 1 . 2]" 1 1589 1 57 LYS HA 1 68 ILE HG13 . . 5.200 4.140 3.741 4.445 . 0 0 "[ . 1 . 2]" 1 1590 1 57 LYS HA 1 91 GLN H . . 4.810 4.157 4.080 4.271 . 0 0 "[ . 1 . 2]" 1 1591 1 57 LYS HB2 1 57 LYS QD . . 3.150 2.732 2.612 2.808 . 0 0 "[ . 1 . 2]" 1 1592 1 57 LYS HB2 1 57 LYS QE . . 4.880 3.844 3.673 3.946 . 0 0 "[ . 1 . 2]" 1 1593 1 57 LYS HB2 1 66 VAL H . . 4.930 4.909 4.635 4.951 0.021 10 0 "[ . 1 . 2]" 1 1594 1 57 LYS HB2 1 67 SER HA . . 4.730 4.642 4.531 4.780 0.050 6 0 "[ . 1 . 2]" 1 1595 1 57 LYS HB2 1 91 GLN H . . 4.990 3.587 3.421 3.755 . 0 0 "[ . 1 . 2]" 1 1596 1 57 LYS HB2 1 91 GLN QB . . 3.990 2.948 2.717 3.174 . 0 0 "[ . 1 . 2]" 1 1597 1 57 LYS HB2 1 93 HIS HD2 . . 4.840 2.069 1.988 2.388 . 0 0 "[ . 1 . 2]" 1 1598 1 57 LYS HB3 1 57 LYS QD . . 3.340 2.193 2.140 2.234 . 0 0 "[ . 1 . 2]" 1 1599 1 57 LYS HB3 1 57 LYS QE . . 4.990 3.957 3.901 4.017 . 0 0 "[ . 1 . 2]" 1 1600 1 57 LYS HB3 1 58 TYR H . . 3.530 3.566 3.521 3.584 0.054 17 0 "[ . 1 . 2]" 1 1601 1 57 LYS HB3 1 65 GLU HA . . 4.550 3.417 3.278 3.492 . 0 0 "[ . 1 . 2]" 1 1602 1 57 LYS HB3 1 66 VAL H . . 4.360 3.281 2.977 3.328 . 0 0 "[ . 1 . 2]" 1 1603 1 57 LYS HB3 1 67 SER HA . . 4.500 4.154 4.065 4.323 . 0 0 "[ . 1 . 2]" 1 1604 1 57 LYS HB3 1 91 GLN H . . 5.500 4.337 4.248 4.465 . 0 0 "[ . 1 . 2]" 1 1605 1 57 LYS HB3 1 91 GLN QB . . 4.310 3.835 3.722 3.954 . 0 0 "[ . 1 . 2]" 1 1606 1 57 LYS HB3 1 93 HIS HD2 . . 5.500 3.688 3.570 3.885 . 0 0 "[ . 1 . 2]" 1 1607 1 57 LYS QD 1 58 TYR H . . 5.500 4.685 4.530 4.885 . 0 0 "[ . 1 . 2]" 1 1608 1 57 LYS QD 1 65 GLU HA . . 5.500 4.175 4.017 4.306 . 0 0 "[ . 1 . 2]" 1 1609 1 57 LYS QD 1 65 GLU HB2 . . 4.330 3.083 2.796 3.259 . 0 0 "[ . 1 . 2]" 1 1610 1 57 LYS QD 1 65 GLU HB3 . . 3.720 2.036 1.912 2.229 . 0 0 "[ . 1 . 2]" 1 1611 1 57 LYS QD 1 65 GLU HG2 . . 4.520 4.054 3.868 4.309 . 0 0 "[ . 1 . 2]" 1 1612 1 57 LYS QD 1 65 GLU HG3 . . 4.690 4.551 4.385 4.719 0.029 20 0 "[ . 1 . 2]" 1 1613 1 57 LYS QD 1 66 VAL H . . 5.500 3.938 3.657 4.133 . 0 0 "[ . 1 . 2]" 1 1614 1 57 LYS QD 1 67 SER H . . 5.500 3.105 2.867 3.553 . 0 0 "[ . 1 . 2]" 1 1615 1 57 LYS QD 1 67 SER HA . . 3.650 3.573 3.201 3.681 0.031 5 0 "[ . 1 . 2]" 1 1616 1 57 LYS QD 1 67 SER QB . . 5.390 2.593 2.358 2.915 . 0 0 "[ . 1 . 2]" 1 1617 1 57 LYS QD 1 93 HIS HD2 . . 4.570 3.598 3.350 3.924 . 0 0 "[ . 1 . 2]" 1 1618 1 57 LYS QE 1 57 LYS QG . . 2.980 2.060 1.947 2.148 . 0 0 "[ . 1 . 2]" 1 1619 1 57 LYS QE 1 65 GLU HB2 . . 5.250 4.918 4.681 5.004 . 0 0 "[ . 1 . 2]" 1 1620 1 57 LYS QE 1 67 SER H . . 5.500 4.274 4.057 4.596 . 0 0 "[ . 1 . 2]" 1 1621 1 57 LYS QE 1 67 SER QB . . 4.390 2.308 1.945 3.189 . 0 0 "[ . 1 . 2]" 1 1622 1 57 LYS QE 1 93 HIS HB3 . . 5.320 4.310 3.812 4.603 . 0 0 "[ . 1 . 2]" 1 1623 1 57 LYS QE 1 93 HIS HD2 . . 4.680 3.847 3.419 4.222 . 0 0 "[ . 1 . 2]" 1 1624 1 57 LYS QG 1 58 TYR H . . 4.530 3.949 3.831 3.991 . 0 0 "[ . 1 . 2]" 1 1625 1 57 LYS QG 1 66 VAL H . . 5.500 4.399 4.074 4.508 . 0 0 "[ . 1 . 2]" 1 1626 1 57 LYS QG 1 67 SER H . . 4.590 3.420 3.167 3.876 . 0 0 "[ . 1 . 2]" 1 1627 1 57 LYS QG 1 67 SER HA . . 2.990 1.971 1.947 1.981 . 0 0 "[ . 1 . 2]" 1 1628 1 57 LYS QG 1 67 SER QB . . 3.810 2.243 1.903 2.988 . 0 0 "[ . 1 . 2]" 1 1629 1 57 LYS QG 1 68 ILE H . . 4.840 3.879 3.669 3.945 . 0 0 "[ . 1 . 2]" 1 1630 1 57 LYS QG 1 93 HIS H . . 5.100 4.954 4.813 5.117 0.017 18 0 "[ . 1 . 2]" 1 1631 1 57 LYS QG 1 93 HIS HD2 . . 3.840 2.672 2.038 3.158 . 0 0 "[ . 1 . 2]" 1 1632 1 58 TYR H 1 58 TYR QD . . 3.300 2.562 2.406 2.664 . 0 0 "[ . 1 . 2]" 1 1633 1 58 TYR H 1 58 TYR QE . . 4.920 4.371 4.265 4.414 . 0 0 "[ . 1 . 2]" 1 1634 1 58 TYR H 1 59 LEU H . . 5.250 4.535 4.521 4.549 . 0 0 "[ . 1 . 2]" 1 1635 1 58 TYR H 1 59 LEU HA . . 5.500 5.061 5.037 5.104 . 0 0 "[ . 1 . 2]" 1 1636 1 58 TYR H 1 65 GLU HA . . 5.060 4.289 4.189 4.435 . 0 0 "[ . 1 . 2]" 1 1637 1 58 TYR H 1 66 VAL HA . . 4.650 4.511 4.405 4.682 0.032 8 0 "[ . 1 . 2]" 1 1638 1 58 TYR H 1 66 VAL HB . . 4.430 3.250 3.133 3.411 . 0 0 "[ . 1 . 2]" 1 1639 1 58 TYR H 1 66 VAL QG . . 4.600 3.773 3.713 3.893 . 0 0 "[ . 1 . 2]" 1 1640 1 58 TYR H 1 67 SER H . . 5.500 4.855 4.697 5.064 . 0 0 "[ . 1 . 2]" 1 1641 1 58 TYR H 1 67 SER HA . . 4.950 3.710 3.519 3.997 . 0 0 "[ . 1 . 2]" 1 1642 1 58 TYR H 1 67 SER QB . . 5.500 5.247 5.017 5.575 0.075 4 0 "[ . 1 . 2]" 1 1643 1 58 TYR H 1 68 ILE H . . 5.500 4.712 4.420 4.857 . 0 0 "[ . 1 . 2]" 1 1644 1 58 TYR H 1 68 ILE MD . . 4.670 4.128 3.790 4.376 . 0 0 "[ . 1 . 2]" 1 1645 1 58 TYR H 1 90 MET HG2 . . 5.170 4.287 4.245 4.345 . 0 0 "[ . 1 . 2]" 1 1646 1 58 TYR H 1 90 MET HG3 . . 5.500 5.573 5.554 5.597 0.097 2 0 "[ . 1 . 2]" 1 1647 1 58 TYR HA 1 58 TYR HB2 . . 3.070 2.408 2.400 2.421 . 0 0 "[ . 1 . 2]" 1 1648 1 58 TYR HA 1 58 TYR QD . . 4.080 3.666 3.644 3.710 . 0 0 "[ . 1 . 2]" 1 1649 1 58 TYR HA 1 59 LEU H . . 3.080 2.277 2.262 2.296 . 0 0 "[ . 1 . 2]" 1 1650 1 58 TYR HA 1 59 LEU HA . . 5.500 4.321 4.316 4.324 . 0 0 "[ . 1 . 2]" 1 1651 1 58 TYR HA 1 59 LEU HB2 . . 5.230 4.390 4.329 4.579 . 0 0 "[ . 1 . 2]" 1 1652 1 58 TYR HA 1 59 LEU MD2 . . 4.920 4.565 3.571 4.801 . 0 0 "[ . 1 . 2]" 1 1653 1 58 TYR HA 1 59 LEU HG . . 4.660 4.349 4.120 4.422 . 0 0 "[ . 1 . 2]" 1 1654 1 58 TYR HA 1 88 LEU MD1 . . 4.920 4.603 4.434 4.720 . 0 0 "[ . 1 . 2]" 1 1655 1 58 TYR HA 1 88 LEU MD2 . . 5.150 4.540 4.299 4.755 . 0 0 "[ . 1 . 2]" 1 1656 1 58 TYR HA 1 90 MET ME . . 5.500 4.988 4.814 5.105 . 0 0 "[ . 1 . 2]" 1 1657 1 58 TYR HA 1 90 MET HG2 . . 3.940 3.474 3.266 3.605 . 0 0 "[ . 1 . 2]" 1 1658 1 58 TYR HA 1 90 MET HG3 . . 4.990 3.834 3.656 3.937 . 0 0 "[ . 1 . 2]" 1 1659 1 58 TYR HA 1 91 GLN H . . 4.090 3.402 3.186 3.544 . 0 0 "[ . 1 . 2]" 1 1660 1 58 TYR HB2 1 59 LEU H . . 3.540 3.177 3.124 3.226 . 0 0 "[ . 1 . 2]" 1 1661 1 58 TYR HB2 1 59 LEU HB2 . . 5.480 5.156 5.091 5.229 . 0 0 "[ . 1 . 2]" 1 1662 1 58 TYR HB2 1 68 ILE MD . . 4.790 4.312 3.992 4.554 . 0 0 "[ . 1 . 2]" 1 1663 1 58 TYR HB2 1 80 MET ME . . 5.500 4.741 4.362 5.093 . 0 0 "[ . 1 . 2]" 1 1664 1 58 TYR HB2 1 88 LEU HB3 . . 5.500 4.410 4.316 4.605 . 0 0 "[ . 1 . 2]" 1 1665 1 58 TYR HB2 1 88 LEU MD1 . . 4.170 2.932 2.877 2.985 . 0 0 "[ . 1 . 2]" 1 1666 1 58 TYR HB2 1 88 LEU MD2 . . 4.250 2.440 2.162 2.696 . 0 0 "[ . 1 . 2]" 1 1667 1 58 TYR HB2 1 88 LEU HG . . 4.720 2.163 2.065 2.317 . 0 0 "[ . 1 . 2]" 1 1668 1 58 TYR HB2 1 90 MET HA . . 4.240 3.322 3.168 3.542 . 0 0 "[ . 1 . 2]" 1 1669 1 58 TYR HB2 1 90 MET ME . . 5.020 4.044 3.889 4.170 . 0 0 "[ . 1 . 2]" 1 1670 1 58 TYR HB2 1 90 MET HG2 . . 4.100 2.773 2.694 2.861 . 0 0 "[ . 1 . 2]" 1 1671 1 58 TYR HB2 1 90 MET HG3 . . 4.730 3.079 2.986 3.139 . 0 0 "[ . 1 . 2]" 1 1672 1 58 TYR HB2 1 91 GLN H . . 5.500 5.289 5.148 5.458 . 0 0 "[ . 1 . 2]" 1 1673 1 58 TYR HB3 1 59 LEU H . . 4.260 4.322 4.296 4.350 0.090 10 0 "[ . 1 . 2]" 1 1674 1 58 TYR HB3 1 66 VAL H . . 5.500 4.685 4.609 4.851 . 0 0 "[ . 1 . 2]" 1 1675 1 58 TYR HB3 1 68 ILE MD . . 4.310 3.175 2.779 3.480 . 0 0 "[ . 1 . 2]" 1 1676 1 58 TYR HB3 1 88 LEU MD1 . . 4.240 4.258 4.247 4.271 0.031 10 0 "[ . 1 . 2]" 1 1677 1 58 TYR HB3 1 88 LEU MD2 . . 4.390 2.930 2.759 3.114 . 0 0 "[ . 1 . 2]" 1 1678 1 58 TYR HB3 1 88 LEU HG . . 4.820 3.532 3.433 3.642 . 0 0 "[ . 1 . 2]" 1 1679 1 58 TYR HB3 1 90 MET HA . . 4.040 3.285 3.112 3.548 . 0 0 "[ . 1 . 2]" 1 1680 1 58 TYR HB3 1 90 MET HB3 . . 5.400 3.879 3.754 4.056 . 0 0 "[ . 1 . 2]" 1 1681 1 58 TYR HB3 1 90 MET ME . . 4.140 3.174 3.005 3.297 . 0 0 "[ . 1 . 2]" 1 1682 1 58 TYR HB3 1 90 MET HG2 . . 3.660 2.135 2.028 2.248 . 0 0 "[ . 1 . 2]" 1 1683 1 58 TYR HB3 1 90 MET HG3 . . 4.160 3.394 3.257 3.548 . 0 0 "[ . 1 . 2]" 1 1684 1 58 TYR HB3 1 91 GLN H . . 5.500 4.652 4.510 4.870 . 0 0 "[ . 1 . 2]" 1 1685 1 58 TYR QD 1 59 LEU H . . 3.950 3.214 3.131 3.353 . 0 0 "[ . 1 . 2]" 1 1686 1 58 TYR QD 1 59 LEU HA . . 4.890 3.878 3.773 4.048 . 0 0 "[ . 1 . 2]" 1 1687 1 58 TYR QD 1 60 ASP HA . . 3.990 3.076 3.000 3.182 . 0 0 "[ . 1 . 2]" 1 1688 1 58 TYR QD 1 60 ASP QB . . 5.500 4.354 4.132 4.467 . 0 0 "[ . 1 . 2]" 1 1689 1 58 TYR QD 1 66 VAL H . . 4.690 4.004 3.919 4.168 . 0 0 "[ . 1 . 2]" 1 1690 1 58 TYR QD 1 66 VAL HB . . 4.280 3.128 3.007 3.329 . 0 0 "[ . 1 . 2]" 1 1691 1 58 TYR QD 1 66 VAL QG . . 4.410 3.132 3.007 3.305 . 0 0 "[ . 1 . 2]" 1 1692 1 58 TYR QD 1 68 ILE H . . 4.750 4.321 3.966 4.486 . 0 0 "[ . 1 . 2]" 1 1693 1 58 TYR QD 1 68 ILE HB . . 4.440 4.382 4.249 4.462 0.022 3 0 "[ . 1 . 2]" 1 1694 1 58 TYR QD 1 68 ILE MD . . 3.040 2.264 1.968 2.562 . 0 0 "[ . 1 . 2]" 1 1695 1 58 TYR QD 1 68 ILE HG12 . . 3.870 3.053 2.532 3.396 . 0 0 "[ . 1 . 2]" 1 1696 1 58 TYR QD 1 68 ILE HG13 . . 3.260 2.191 1.993 2.295 . 0 0 "[ . 1 . 2]" 1 1697 1 58 TYR QD 1 68 ILE MG . . 4.870 4.592 4.185 4.824 . 0 0 "[ . 1 . 2]" 1 1698 1 58 TYR QD 1 77 ALA HA . . 5.130 4.393 4.130 4.628 . 0 0 "[ . 1 . 2]" 1 1699 1 58 TYR QD 1 80 MET ME . . 3.710 3.162 2.827 3.448 . 0 0 "[ . 1 . 2]" 1 1700 1 58 TYR QD 1 88 LEU MD1 . . 3.440 2.310 2.030 2.523 . 0 0 "[ . 1 . 2]" 1 1701 1 58 TYR QD 1 88 LEU MD2 . . 3.780 3.017 2.842 3.217 . 0 0 "[ . 1 . 2]" 1 1702 1 58 TYR QD 1 90 MET ME . . 4.600 3.898 3.714 4.082 . 0 0 "[ . 1 . 2]" 1 1703 1 58 TYR QD 1 90 MET HG2 . . 5.320 4.025 3.840 4.219 . 0 0 "[ . 1 . 2]" 1 1704 1 58 TYR QE 1 59 LEU H . . 5.500 5.396 5.329 5.502 0.002 11 0 "[ . 1 . 2]" 1 1705 1 58 TYR QE 1 60 ASP H . . 5.500 4.005 3.837 4.335 . 0 0 "[ . 1 . 2]" 1 1706 1 58 TYR QE 1 60 ASP HA . . 3.840 2.067 1.983 2.397 . 0 0 "[ . 1 . 2]" 1 1707 1 58 TYR QE 1 60 ASP QB . . 4.070 3.047 2.506 3.344 . 0 0 "[ . 1 . 2]" 1 1708 1 58 TYR QE 1 61 GLU H . . 5.450 4.428 4.266 4.531 . 0 0 "[ . 1 . 2]" 1 1709 1 58 TYR QE 1 66 VAL H . . 5.500 4.757 4.673 4.942 . 0 0 "[ . 1 . 2]" 1 1710 1 58 TYR QE 1 66 VAL HB . . 3.900 2.881 2.721 3.021 . 0 0 "[ . 1 . 2]" 1 1711 1 58 TYR QE 1 66 VAL QG . . 3.190 1.998 1.897 2.255 . 0 0 "[ . 1 . 2]" 1 1712 1 58 TYR QE 1 68 ILE H . . 5.330 5.259 4.942 5.350 0.020 13 0 "[ . 1 . 2]" 1 1713 1 58 TYR QE 1 68 ILE HA . . 5.500 4.497 4.295 4.600 . 0 0 "[ . 1 . 2]" 1 1714 1 58 TYR QE 1 68 ILE HB . . 5.360 5.249 5.127 5.361 0.001 17 0 "[ . 1 . 2]" 1 1715 1 58 TYR QE 1 68 ILE MD . . 3.810 2.982 2.707 3.204 . 0 0 "[ . 1 . 2]" 1 1716 1 58 TYR QE 1 68 ILE HG12 . . 3.150 2.522 2.309 2.714 . 0 0 "[ . 1 . 2]" 1 1717 1 58 TYR QE 1 68 ILE HG13 . . 3.690 3.071 2.739 3.465 . 0 0 "[ . 1 . 2]" 1 1718 1 58 TYR QE 1 68 ILE MG . . 4.970 4.402 3.959 4.611 . 0 0 "[ . 1 . 2]" 1 1719 1 58 TYR QE 1 77 ALA H . . 5.210 4.108 3.898 4.436 . 0 0 "[ . 1 . 2]" 1 1720 1 58 TYR QE 1 77 ALA HA . . 4.010 3.394 3.175 3.533 . 0 0 "[ . 1 . 2]" 1 1721 1 58 TYR QE 1 77 ALA MB . . 3.550 2.577 2.330 2.795 . 0 0 "[ . 1 . 2]" 1 1722 1 58 TYR QE 1 80 MET HB2 . . 5.320 4.330 4.151 4.500 . 0 0 "[ . 1 . 2]" 1 1723 1 58 TYR QE 1 80 MET HB3 . . 4.570 4.173 3.994 4.269 . 0 0 "[ . 1 . 2]" 1 1724 1 58 TYR QE 1 80 MET ME . . 3.990 3.439 3.190 3.728 . 0 0 "[ . 1 . 2]" 1 1725 1 58 TYR QE 1 80 MET HG2 . . 5.500 5.529 5.504 5.554 0.054 7 0 "[ . 1 . 2]" 1 1726 1 58 TYR QE 1 80 MET HG3 . . 5.180 5.198 5.175 5.225 0.045 6 0 "[ . 1 . 2]" 1 1727 1 58 TYR QE 1 88 LEU MD1 . . 4.630 3.529 3.352 3.650 . 0 0 "[ . 1 . 2]" 1 1728 1 58 TYR QE 1 88 LEU MD2 . . 4.730 3.916 3.720 4.111 . 0 0 "[ . 1 . 2]" 1 1729 1 59 LEU H 1 59 LEU HB2 . . 3.380 2.183 2.143 2.331 . 0 0 "[ . 1 . 2]" 1 1730 1 59 LEU H 1 59 LEU HB3 . . 3.850 3.465 3.437 3.540 . 0 0 "[ . 1 . 2]" 1 1731 1 59 LEU H 1 59 LEU MD1 . . 4.620 4.030 3.977 4.136 . 0 0 "[ . 1 . 2]" 1 1732 1 59 LEU H 1 59 LEU MD2 . . 4.680 3.567 2.821 3.745 . 0 0 "[ . 1 . 2]" 1 1733 1 59 LEU H 1 59 LEU HG . . 3.660 2.966 2.669 3.086 . 0 0 "[ . 1 . 2]" 1 1734 1 59 LEU H 1 60 ASP H . . 4.780 4.551 4.527 4.597 . 0 0 "[ . 1 . 2]" 1 1735 1 59 LEU H 1 65 GLU HA . . 5.500 4.254 4.118 4.531 . 0 0 "[ . 1 . 2]" 1 1736 1 59 LEU H 1 66 VAL QG . . 5.500 5.048 4.862 5.245 . 0 0 "[ . 1 . 2]" 1 1737 1 59 LEU H 1 88 LEU MD1 . . 5.500 3.957 3.616 4.115 . 0 0 "[ . 1 . 2]" 1 1738 1 59 LEU H 1 89 GLN H . . 5.370 3.946 3.700 4.062 . 0 0 "[ . 1 . 2]" 1 1739 1 59 LEU H 1 89 GLN QB . . 4.460 3.252 3.132 3.318 . 0 0 "[ . 1 . 2]" 1 1740 1 59 LEU H 1 90 MET HA . . 4.500 3.760 3.710 3.787 . 0 0 "[ . 1 . 2]" 1 1741 1 59 LEU H 1 90 MET HG3 . . 5.480 5.062 4.831 5.158 . 0 0 "[ . 1 . 2]" 1 1742 1 59 LEU H 1 91 GLN H . . 5.500 5.318 5.066 5.503 0.003 9 0 "[ . 1 . 2]" 1 1743 1 59 LEU HA 1 59 LEU MD1 . . 3.740 3.717 3.529 3.743 0.003 7 0 "[ . 1 . 2]" 1 1744 1 59 LEU HA 1 59 LEU MD2 . . 3.230 1.873 1.860 1.883 . 0 0 "[ . 1 . 2]" 1 1745 1 59 LEU HA 1 59 LEU HG . . 3.860 3.057 2.969 3.418 . 0 0 "[ . 1 . 2]" 1 1746 1 59 LEU HA 1 60 ASP H . . 2.800 2.194 2.186 2.222 . 0 0 "[ . 1 . 2]" 1 1747 1 59 LEU HA 1 60 ASP HA . . 4.500 4.302 4.295 4.305 . 0 0 "[ . 1 . 2]" 1 1748 1 59 LEU HA 1 60 ASP QB . . 5.140 4.169 3.978 4.627 . 0 0 "[ . 1 . 2]" 1 1749 1 59 LEU HA 1 63 ASN H . . 5.500 4.713 4.413 4.820 . 0 0 "[ . 1 . 2]" 1 1750 1 59 LEU HA 1 63 ASN HA . . 4.910 4.101 3.677 4.234 . 0 0 "[ . 1 . 2]" 1 1751 1 59 LEU HA 1 64 GLU H . . 4.660 3.783 3.616 4.160 . 0 0 "[ . 1 . 2]" 1 1752 1 59 LEU HA 1 64 GLU HA . . 5.500 4.528 4.313 4.653 . 0 0 "[ . 1 . 2]" 1 1753 1 59 LEU HA 1 65 GLU H . . 4.830 4.236 4.021 4.608 . 0 0 "[ . 1 . 2]" 1 1754 1 59 LEU HA 1 65 GLU HA . . 3.260 2.631 2.468 2.842 . 0 0 "[ . 1 . 2]" 1 1755 1 59 LEU HA 1 65 GLU HG2 . . 5.030 4.133 3.786 4.635 . 0 0 "[ . 1 . 2]" 1 1756 1 59 LEU HA 1 65 GLU HG3 . . 4.990 4.619 4.484 4.989 . 0 0 "[ . 1 . 2]" 1 1757 1 59 LEU HA 1 66 VAL H . . 3.970 3.459 3.380 3.704 . 0 0 "[ . 1 . 2]" 1 1758 1 59 LEU HA 1 66 VAL QG . . 4.650 3.441 3.215 3.672 . 0 0 "[ . 1 . 2]" 1 1759 1 59 LEU HA 1 80 MET ME . . 5.500 4.974 4.789 5.140 . 0 0 "[ . 1 . 2]" 1 1760 1 59 LEU HB2 1 59 LEU MD1 . . 3.460 2.535 2.487 2.693 . 0 0 "[ . 1 . 2]" 1 1761 1 59 LEU HB2 1 59 LEU MD2 . . 3.610 3.195 3.121 3.203 . 0 0 "[ . 1 . 2]" 1 1762 1 59 LEU HB2 1 60 ASP H . . 4.670 4.428 4.334 4.488 . 0 0 "[ . 1 . 2]" 1 1763 1 59 LEU HB2 1 63 ASN H . . 5.500 5.373 4.990 5.474 . 0 0 "[ . 1 . 2]" 1 1764 1 59 LEU HB2 1 63 ASN HA . . 4.180 4.072 3.678 4.205 0.025 3 0 "[ . 1 . 2]" 1 1765 1 59 LEU HB2 1 89 GLN H . . 5.500 4.336 3.925 4.518 . 0 0 "[ . 1 . 2]" 1 1766 1 59 LEU HB2 1 89 GLN QB . . 3.780 2.949 2.900 2.979 . 0 0 "[ . 1 . 2]" 1 1767 1 59 LEU HB3 1 59 LEU MD1 . . 3.320 2.159 1.990 2.204 . 0 0 "[ . 1 . 2]" 1 1768 1 59 LEU HB3 1 59 LEU MD2 . . 3.480 2.519 2.479 2.778 . 0 0 "[ . 1 . 2]" 1 1769 1 59 LEU HB3 1 59 LEU HG . . 3.010 3.014 2.957 3.022 0.012 7 0 "[ . 1 . 2]" 1 1770 1 59 LEU HB3 1 60 ASP H . . 4.160 3.421 3.250 3.512 . 0 0 "[ . 1 . 2]" 1 1771 1 59 LEU HB3 1 63 ASN H . . 4.540 3.684 3.461 3.785 . 0 0 "[ . 1 . 2]" 1 1772 1 59 LEU HB3 1 63 ASN HA . . 3.290 2.396 1.984 2.542 . 0 0 "[ . 1 . 2]" 1 1773 1 59 LEU HB3 1 63 ASN HB3 . . 5.500 5.087 4.048 5.439 . 0 0 "[ . 1 . 2]" 1 1774 1 59 LEU HB3 1 64 GLU H . . 5.500 4.116 3.860 4.461 . 0 0 "[ . 1 . 2]" 1 1775 1 59 LEU HB3 1 65 GLU HA . . 5.500 4.934 4.823 5.043 . 0 0 "[ . 1 . 2]" 1 1776 1 59 LEU HB3 1 89 GLN QB . . 4.360 4.360 4.297 4.397 0.037 2 0 "[ . 1 . 2]" 1 1777 1 59 LEU MD1 1 60 ASP H . . 4.780 4.791 4.582 4.856 0.076 9 0 "[ . 1 . 2]" 1 1778 1 59 LEU MD1 1 63 ASN H . . 4.840 4.411 4.074 4.658 . 0 0 "[ . 1 . 2]" 1 1779 1 59 LEU MD1 1 63 ASN HA . . 3.760 2.533 2.166 2.819 . 0 0 "[ . 1 . 2]" 1 1780 1 59 LEU MD1 1 63 ASN HB2 . . 5.340 4.284 3.935 4.476 . 0 0 "[ . 1 . 2]" 1 1781 1 59 LEU MD1 1 63 ASN HB3 . . 4.560 3.753 2.728 4.153 . 0 0 "[ . 1 . 2]" 1 1782 1 59 LEU MD1 1 63 ASN HD22 . . 4.930 3.491 2.141 4.953 0.023 18 0 "[ . 1 . 2]" 1 1783 1 59 LEU MD1 1 64 GLU H . . 5.430 4.585 4.311 4.831 . 0 0 "[ . 1 . 2]" 1 1784 1 59 LEU MD1 1 64 GLU HA . . 5.500 4.503 4.031 4.628 . 0 0 "[ . 1 . 2]" 1 1785 1 59 LEU MD1 1 65 GLU H . . 4.670 4.720 4.685 4.763 0.093 6 0 "[ . 1 . 2]" 1 1786 1 59 LEU MD1 1 65 GLU HA . . 4.630 4.648 4.507 4.691 0.061 10 0 "[ . 1 . 2]" 1 1787 1 59 LEU MD1 1 65 GLU HG2 . . 4.680 4.316 4.080 4.498 . 0 0 "[ . 1 . 2]" 1 1788 1 59 LEU MD1 1 65 GLU HG3 . . 4.660 3.997 3.929 4.119 . 0 0 "[ . 1 . 2]" 1 1789 1 59 LEU MD1 1 89 GLN QB . . 3.650 3.564 3.452 3.662 0.012 12 0 "[ . 1 . 2]" 1 1790 1 59 LEU MD1 1 89 GLN HE22 . . 5.500 5.246 4.596 6.038 0.538 15 1 "[ . 1 + 2]" 1 1791 1 59 LEU MD1 1 89 GLN QG . . 4.540 4.530 4.395 4.565 0.025 7 0 "[ . 1 . 2]" 1 1792 1 59 LEU MD1 1 91 GLN HE21 . . 5.500 3.655 3.350 4.715 . 0 0 "[ . 1 . 2]" 1 1793 1 59 LEU MD1 1 91 GLN HE22 . . 5.420 3.304 2.703 3.579 . 0 0 "[ . 1 . 2]" 1 1794 1 59 LEU MD2 1 60 ASP H . . 4.290 2.945 2.813 3.437 . 0 0 "[ . 1 . 2]" 1 1795 1 59 LEU MD2 1 63 ASN H . . 5.500 3.974 3.716 4.666 . 0 0 "[ . 1 . 2]" 1 1796 1 59 LEU MD2 1 63 ASN HA . . 3.950 2.897 2.695 3.626 . 0 0 "[ . 1 . 2]" 1 1797 1 59 LEU MD2 1 63 ASN HB2 . . 5.500 4.739 4.069 5.523 0.023 8 0 "[ . 1 . 2]" 1 1798 1 59 LEU MD2 1 63 ASN HB3 . . 4.650 3.957 3.741 4.646 . 0 0 "[ . 1 . 2]" 1 1799 1 59 LEU MD2 1 64 GLU H . . 5.160 2.889 2.584 3.902 . 0 0 "[ . 1 . 2]" 1 1800 1 59 LEU MD2 1 64 GLU HA . . 4.890 2.691 2.562 3.212 . 0 0 "[ . 1 . 2]" 1 1801 1 59 LEU MD2 1 65 GLU H . . 4.430 2.488 2.388 3.067 . 0 0 "[ . 1 . 2]" 1 1802 1 59 LEU MD2 1 65 GLU HA . . 3.540 1.953 1.916 2.002 . 0 0 "[ . 1 . 2]" 1 1803 1 59 LEU MD2 1 65 GLU HB2 . . 4.310 3.554 3.348 3.868 . 0 0 "[ . 1 . 2]" 1 1804 1 59 LEU MD2 1 65 GLU HB3 . . 4.560 3.815 3.649 3.933 . 0 0 "[ . 1 . 2]" 1 1805 1 59 LEU MD2 1 65 GLU HG2 . . 3.400 2.360 1.954 2.577 . 0 0 "[ . 1 . 2]" 1 1806 1 59 LEU MD2 1 65 GLU HG3 . . 3.600 2.237 2.073 2.407 . 0 0 "[ . 1 . 2]" 1 1807 1 59 LEU MD2 1 66 VAL H . . 4.620 3.742 3.418 3.832 . 0 0 "[ . 1 . 2]" 1 1808 1 59 LEU MD2 1 89 GLN QB . . 5.120 4.903 4.114 5.088 . 0 0 "[ . 1 . 2]" 1 1809 1 59 LEU MD2 1 91 GLN HE21 . . 5.500 4.297 3.068 5.220 . 0 0 "[ . 1 . 2]" 1 1810 1 59 LEU MD2 1 91 GLN HE22 . . 5.470 3.831 2.709 4.454 . 0 0 "[ . 1 . 2]" 1 1811 1 59 LEU HG 1 60 ASP H . . 5.390 5.089 5.009 5.401 0.011 8 0 "[ . 1 . 2]" 1 1812 1 59 LEU HG 1 63 ASN HA . . 4.680 4.667 4.600 4.738 0.058 17 0 "[ . 1 . 2]" 1 1813 1 59 LEU HG 1 65 GLU HA . . 5.300 3.730 3.556 4.553 . 0 0 "[ . 1 . 2]" 1 1814 1 59 LEU HG 1 65 GLU HG3 . . 5.130 3.763 3.437 4.955 . 0 0 "[ . 1 . 2]" 1 1815 1 59 LEU HG 1 89 GLN QB . . 4.040 3.801 2.758 4.065 0.025 6 0 "[ . 1 . 2]" 1 1816 1 60 ASP H 1 60 ASP QB . . 3.530 2.323 2.053 2.900 . 0 0 "[ . 1 . 2]" 1 1817 1 60 ASP H 1 61 GLU H . . 4.670 4.339 4.238 4.478 . 0 0 "[ . 1 . 2]" 1 1818 1 60 ASP H 1 63 ASN HA . . 4.500 3.998 3.464 4.224 . 0 0 "[ . 1 . 2]" 1 1819 1 60 ASP H 1 64 GLU H . . 3.800 2.652 2.251 3.107 . 0 0 "[ . 1 . 2]" 1 1820 1 60 ASP H 1 64 GLU HA . . 5.230 4.608 4.275 4.800 . 0 0 "[ . 1 . 2]" 1 1821 1 60 ASP H 1 64 GLU HB2 . . 5.410 3.986 3.660 5.347 . 0 0 "[ . 1 . 2]" 1 1822 1 60 ASP H 1 64 GLU HB3 . . 5.500 4.794 4.505 5.061 . 0 0 "[ . 1 . 2]" 1 1823 1 60 ASP H 1 65 GLU HA . . 4.240 4.153 4.053 4.272 0.032 19 0 "[ . 1 . 2]" 1 1824 1 60 ASP H 1 66 VAL H . . 5.280 4.383 4.273 4.607 . 0 0 "[ . 1 . 2]" 1 1825 1 60 ASP H 1 66 VAL QG . . 4.010 2.637 2.433 2.924 . 0 0 "[ . 1 . 2]" 1 1826 1 60 ASP H 1 80 MET ME . . 5.500 4.393 3.988 4.685 . 0 0 "[ . 1 . 2]" 1 1827 1 60 ASP HA 1 61 GLU H . . 3.340 2.944 2.771 3.045 . 0 0 "[ . 1 . 2]" 1 1828 1 60 ASP HA 1 61 GLU HA . . 5.080 4.363 4.322 4.385 . 0 0 "[ . 1 . 2]" 1 1829 1 60 ASP HA 1 62 GLU H . . 5.150 4.142 4.058 4.184 . 0 0 "[ . 1 . 2]" 1 1830 1 60 ASP HA 1 63 ASN H . . 5.500 4.680 4.169 4.873 . 0 0 "[ . 1 . 2]" 1 1831 1 60 ASP HA 1 66 VAL QG . . 4.320 3.603 3.303 3.811 . 0 0 "[ . 1 . 2]" 1 1832 1 60 ASP HA 1 80 MET ME . . 3.770 2.603 2.002 3.001 . 0 0 "[ . 1 . 2]" 1 1833 1 60 ASP QB 1 61 GLU H . . 3.060 1.917 1.836 1.940 . 0 0 "[ . 1 . 2]" 1 1834 1 60 ASP QB 1 61 GLU HA . . 5.010 4.153 4.087 4.369 . 0 0 "[ . 1 . 2]" 1 1835 1 60 ASP QB 1 61 GLU HB2 . . 4.990 3.792 3.530 3.904 . 0 0 "[ . 1 . 2]" 1 1836 1 60 ASP QB 1 61 GLU HB3 . . 5.090 5.005 4.881 5.128 0.038 8 0 "[ . 1 . 2]" 1 1837 1 60 ASP QB 1 61 GLU HG2 . . 5.500 4.832 4.484 4.967 . 0 0 "[ . 1 . 2]" 1 1838 1 60 ASP QB 1 61 GLU HG3 . . 5.500 4.613 4.248 4.753 . 0 0 "[ . 1 . 2]" 1 1839 1 60 ASP QB 1 62 GLU H . . 4.500 2.392 2.199 3.377 . 0 0 "[ . 1 . 2]" 1 1840 1 60 ASP QB 1 63 ASN H . . 5.500 3.779 3.584 4.497 . 0 0 "[ . 1 . 2]" 1 1841 1 60 ASP QB 1 64 GLU H . . 5.250 3.500 3.125 4.385 . 0 0 "[ . 1 . 2]" 1 1842 1 60 ASP QB 1 66 VAL H . . 5.500 5.013 4.832 5.335 . 0 0 "[ . 1 . 2]" 1 1843 1 60 ASP QB 1 66 VAL HB . . 5.430 4.005 3.666 4.178 . 0 0 "[ . 1 . 2]" 1 1844 1 60 ASP QB 1 66 VAL QG . . 3.260 2.122 1.977 2.409 . 0 0 "[ . 1 . 2]" 1 1845 1 60 ASP QB 1 80 MET ME . . 4.970 4.202 3.466 4.486 . 0 0 "[ . 1 . 2]" 1 1846 1 61 GLU H 1 61 GLU HB2 . . 3.390 2.292 2.233 2.359 . 0 0 "[ . 1 . 2]" 1 1847 1 61 GLU H 1 61 GLU HB3 . . 3.530 3.532 3.503 3.544 0.014 12 0 "[ . 1 . 2]" 1 1848 1 61 GLU H 1 61 GLU HG2 . . 4.040 3.198 2.769 3.524 . 0 0 "[ . 1 . 2]" 1 1849 1 61 GLU H 1 61 GLU HG3 . . 3.270 2.975 2.786 3.084 . 0 0 "[ . 1 . 2]" 1 1850 1 61 GLU H 1 62 GLU H . . 3.610 2.689 2.659 2.740 . 0 0 "[ . 1 . 2]" 1 1851 1 61 GLU H 1 66 VAL QG . . 5.110 4.781 4.583 4.974 . 0 0 "[ . 1 . 2]" 1 1852 1 61 GLU H 1 80 MET ME . . 4.740 3.865 3.046 4.250 . 0 0 "[ . 1 . 2]" 1 1853 1 61 GLU H 1 80 MET HG3 . . 5.260 4.232 3.795 4.485 . 0 0 "[ . 1 . 2]" 1 1854 1 61 GLU HA 1 61 GLU HB3 . . 2.980 2.614 2.599 2.655 . 0 0 "[ . 1 . 2]" 1 1855 1 61 GLU HA 1 61 GLU HG2 . . 3.530 2.176 2.114 2.217 . 0 0 "[ . 1 . 2]" 1 1856 1 61 GLU HA 1 61 GLU HG3 . . 3.460 3.390 3.247 3.479 0.019 19 0 "[ . 1 . 2]" 1 1857 1 61 GLU HA 1 62 GLU HA . . 4.240 4.469 4.420 4.583 0.343 19 0 "[ . 1 . 2]" 1 1858 1 61 GLU HA 1 63 ASN H . . 3.990 3.650 3.585 3.833 . 0 0 "[ . 1 . 2]" 1 1859 1 61 GLU HA 1 80 MET ME . . 3.950 3.376 2.932 3.696 . 0 0 "[ . 1 . 2]" 1 1860 1 61 GLU HA 1 80 MET HG3 . . 5.500 4.821 4.308 5.198 . 0 0 "[ . 1 . 2]" 1 1861 1 61 GLU HB2 1 62 GLU H . . 4.130 3.794 3.322 3.989 . 0 0 "[ . 1 . 2]" 1 1862 1 61 GLU HB3 1 61 GLU HG2 . . 2.950 2.813 2.760 2.885 . 0 0 "[ . 1 . 2]" 1 1863 1 61 GLU HB3 1 62 GLU H . . 4.360 4.309 4.064 4.409 0.049 4 0 "[ . 1 . 2]" 1 1864 1 61 GLU HG2 1 62 GLU H . . 4.850 4.904 4.837 4.984 0.134 8 0 "[ . 1 . 2]" 1 1865 1 61 GLU HG2 1 80 MET HG3 . . 4.330 2.892 2.276 3.341 . 0 0 "[ . 1 . 2]" 1 1866 1 61 GLU HG3 1 62 GLU H . . 5.240 5.252 5.035 5.327 0.087 8 0 "[ . 1 . 2]" 1 1867 1 61 GLU HG3 1 80 MET HG3 . . 4.290 2.211 2.000 2.482 . 0 0 "[ . 1 . 2]" 1 1868 1 62 GLU H 1 62 GLU HB2 . . 3.290 2.695 2.475 3.245 . 0 0 "[ . 1 . 2]" 1 1869 1 62 GLU H 1 62 GLU HB3 . . 3.850 3.670 2.198 3.810 . 0 0 "[ . 1 . 2]" 1 1870 1 62 GLU H 1 62 GLU HG2 . . 3.740 3.094 2.511 4.407 0.667 19 1 "[ . 1 . +2]" 1 1871 1 62 GLU H 1 62 GLU HG3 . . 4.120 3.334 2.912 3.776 . 0 0 "[ . 1 . 2]" 1 1872 1 62 GLU H 1 63 ASN H . . 3.070 2.019 1.863 2.279 . 0 0 "[ . 1 . 2]" 1 1873 1 62 GLU H 1 64 GLU H . . 4.460 2.990 2.814 3.276 . 0 0 "[ . 1 . 2]" 1 1874 1 62 GLU H 1 64 GLU QG . . 5.500 4.852 4.189 5.377 . 0 0 "[ . 1 . 2]" 1 1875 1 62 GLU HA 1 62 GLU HB3 . . 2.990 2.498 2.430 2.966 . 0 0 "[ . 1 . 2]" 1 1876 1 62 GLU HA 1 62 GLU HG2 . . 3.430 2.577 2.199 4.035 0.605 19 1 "[ . 1 . +2]" 1 1877 1 62 GLU HA 1 62 GLU HG3 . . 3.840 3.652 3.442 3.800 . 0 0 "[ . 1 . 2]" 1 1878 1 62 GLU HA 1 63 ASN H . . 3.640 3.299 3.250 3.416 . 0 0 "[ . 1 . 2]" 1 1879 1 62 GLU HA 1 63 ASN HA . . 5.500 5.021 4.984 5.069 . 0 0 "[ . 1 . 2]" 1 1880 1 62 GLU HA 1 63 ASN HB2 . . 4.820 3.957 3.843 4.767 . 0 0 "[ . 1 . 2]" 1 1881 1 62 GLU HA 1 63 ASN HB3 . . 5.490 5.089 4.727 5.680 0.190 18 0 "[ . 1 . 2]" 1 1882 1 62 GLU HB2 1 63 ASN H . . 4.670 3.725 3.576 4.526 . 0 0 "[ . 1 . 2]" 1 1883 1 62 GLU HB2 1 63 ASN HA . . 5.500 5.376 5.208 6.409 0.909 19 1 "[ . 1 . +2]" 1 1884 1 62 GLU HB2 1 64 GLU H . . 3.750 3.092 2.810 4.341 0.591 19 1 "[ . 1 . +2]" 1 1885 1 62 GLU HB3 1 62 GLU HG2 . . 2.910 2.850 2.408 2.940 0.030 5 0 "[ . 1 . 2]" 1 1886 1 62 GLU HB3 1 63 ASN H . . 5.160 4.391 3.561 4.494 . 0 0 "[ . 1 . 2]" 1 1887 1 62 GLU HB3 1 64 GLU H . . 4.310 4.186 3.089 4.329 0.019 18 0 "[ . 1 . 2]" 1 1888 1 62 GLU HG2 1 63 ASN H . . 5.300 4.615 4.404 4.953 . 0 0 "[ . 1 . 2]" 1 1889 1 62 GLU HG2 1 64 GLU H . . 5.110 5.190 3.444 5.681 0.571 17 4 "[ . ** - . + 2]" 1 1890 1 62 GLU HG3 1 63 ASN H . . 5.360 4.988 3.580 5.197 . 0 0 "[ . 1 . 2]" 1 1891 1 63 ASN H 1 63 ASN HA . . 2.720 2.179 2.174 2.204 . 0 0 "[ . 1 . 2]" 1 1892 1 63 ASN H 1 63 ASN HB2 . . 3.940 3.272 3.205 3.872 . 0 0 "[ . 1 . 2]" 1 1893 1 63 ASN H 1 63 ASN HB3 . . 4.100 3.987 3.852 4.068 . 0 0 "[ . 1 . 2]" 1 1894 1 63 ASN H 1 64 GLU H . . 3.340 2.474 2.430 2.508 . 0 0 "[ . 1 . 2]" 1 1895 1 63 ASN H 1 64 GLU HA . . 5.040 5.061 4.996 5.083 0.043 13 0 "[ . 1 . 2]" 1 1896 1 63 ASN H 1 64 GLU QG . . 5.270 4.649 4.418 5.114 . 0 0 "[ . 1 . 2]" 1 1897 1 63 ASN H 1 66 VAL QG . . 5.500 5.378 5.055 5.429 . 0 0 "[ . 1 . 2]" 1 1898 1 63 ASN HB2 1 64 GLU H . . 5.230 4.310 4.036 4.460 . 0 0 "[ . 1 . 2]" 1 1899 1 63 ASN HB3 1 64 GLU H . . 5.330 4.118 3.707 4.641 . 0 0 "[ . 1 . 2]" 1 1900 1 63 ASN HB3 1 64 GLU HA . . 5.090 4.290 4.096 5.076 . 0 0 "[ . 1 . 2]" 1 1901 1 64 GLU H 1 64 GLU HB2 . . 3.290 2.419 2.164 3.691 0.401 11 0 "[ . 1 . 2]" 1 1902 1 64 GLU H 1 64 GLU HB3 . . 3.740 3.519 2.568 3.640 . 0 0 "[ . 1 . 2]" 1 1903 1 64 GLU H 1 64 GLU QG . . 3.820 2.999 2.544 3.167 . 0 0 "[ . 1 . 2]" 1 1904 1 64 GLU H 1 66 VAL QG . . 5.500 4.083 3.967 4.322 . 0 0 "[ . 1 . 2]" 1 1905 1 64 GLU HA 1 64 GLU QG . . 3.620 2.343 2.195 3.255 . 0 0 "[ . 1 . 2]" 1 1906 1 64 GLU HA 1 65 GLU H . . 2.850 2.230 2.216 2.334 . 0 0 "[ . 1 . 2]" 1 1907 1 64 GLU HB2 1 66 VAL QG . . 4.360 3.649 3.385 4.188 . 0 0 "[ . 1 . 2]" 1 1908 1 64 GLU HB3 1 65 GLU H . . 3.710 3.406 3.003 4.460 0.750 11 1 "[ . 1+ . 2]" 1 1909 1 64 GLU HB3 1 66 VAL QG . . 4.380 3.638 3.419 4.355 . 0 0 "[ . 1 . 2]" 1 1910 1 64 GLU QG 1 65 GLU H . . 4.490 3.851 3.567 4.156 . 0 0 "[ . 1 . 2]" 1 1911 1 65 GLU H 1 65 GLU HB2 . . 3.130 2.255 2.157 2.538 . 0 0 "[ . 1 . 2]" 1 1912 1 65 GLU H 1 65 GLU HB3 . . 3.770 3.493 3.453 3.549 . 0 0 "[ . 1 . 2]" 1 1913 1 65 GLU H 1 65 GLU HG2 . . 3.700 3.598 3.351 3.720 0.020 13 0 "[ . 1 . 2]" 1 1914 1 65 GLU H 1 65 GLU HG3 . . 3.640 2.581 1.941 2.833 . 0 0 "[ . 1 . 2]" 1 1915 1 65 GLU H 1 66 VAL H . . 4.650 4.575 4.536 4.602 . 0 0 "[ . 1 . 2]" 1 1916 1 65 GLU H 1 66 VAL QG . . 4.960 4.430 4.266 4.542 . 0 0 "[ . 1 . 2]" 1 1917 1 65 GLU HA 1 65 GLU HG2 . . 3.490 2.288 2.169 2.661 . 0 0 "[ . 1 . 2]" 1 1918 1 65 GLU HA 1 65 GLU HG3 . . 3.820 2.898 2.846 3.009 . 0 0 "[ . 1 . 2]" 1 1919 1 65 GLU HA 1 66 VAL H . . 2.740 2.219 2.206 2.244 . 0 0 "[ . 1 . 2]" 1 1920 1 65 GLU HA 1 66 VAL HA . . 4.780 4.395 4.391 4.409 . 0 0 "[ . 1 . 2]" 1 1921 1 65 GLU HA 1 66 VAL HB . . 4.640 4.536 4.514 4.576 . 0 0 "[ . 1 . 2]" 1 1922 1 65 GLU HA 1 66 VAL QG . . 4.150 3.600 3.523 3.684 . 0 0 "[ . 1 . 2]" 1 1923 1 65 GLU HB2 1 66 VAL H . . 4.720 4.425 4.265 4.516 . 0 0 "[ . 1 . 2]" 1 1924 1 65 GLU HB3 1 66 VAL H . . 4.160 3.435 3.251 3.565 . 0 0 "[ . 1 . 2]" 1 1925 1 65 GLU HG2 1 66 VAL H . . 4.740 3.960 3.696 4.529 . 0 0 "[ . 1 . 2]" 1 1926 1 65 GLU HG3 1 66 VAL H . . 5.050 4.974 4.875 5.058 0.008 10 0 "[ . 1 . 2]" 1 1927 1 66 VAL H 1 66 VAL HB . . 3.450 2.554 2.510 2.655 . 0 0 "[ . 1 . 2]" 1 1928 1 66 VAL H 1 66 VAL QG . . 3.520 2.739 2.642 2.808 . 0 0 "[ . 1 . 2]" 1 1929 1 66 VAL H 1 67 SER H . . 5.140 4.298 4.230 4.346 . 0 0 "[ . 1 . 2]" 1 1930 1 66 VAL HA 1 66 VAL QG . . 3.170 2.071 2.056 2.087 . 0 0 "[ . 1 . 2]" 1 1931 1 66 VAL HA 1 67 SER H . . 2.800 2.184 2.182 2.188 . 0 0 "[ . 1 . 2]" 1 1932 1 66 VAL HA 1 67 SER HA . . 5.330 4.329 4.322 4.340 . 0 0 "[ . 1 . 2]" 1 1933 1 66 VAL HA 1 67 SER QB . . 4.220 4.178 4.005 4.251 0.031 10 0 "[ . 1 . 2]" 1 1934 1 66 VAL HB 1 67 SER H . . 4.410 4.359 4.314 4.416 0.006 2 0 "[ . 1 . 2]" 1 1935 1 66 VAL QG 1 67 SER H . . 3.390 2.817 2.624 2.927 . 0 0 "[ . 1 . 2]" 1 1936 1 66 VAL QG 1 67 SER QB . . 4.730 4.356 4.092 4.424 . 0 0 "[ . 1 . 2]" 1 1937 1 66 VAL QG 1 68 ILE H . . 5.500 4.558 4.270 4.745 . 0 0 "[ . 1 . 2]" 1 1938 1 66 VAL QG 1 68 ILE HA . . 5.500 4.037 3.815 4.138 . 0 0 "[ . 1 . 2]" 1 1939 1 67 SER H 1 67 SER QB . . 3.120 2.380 2.077 2.489 . 0 0 "[ . 1 . 2]" 1 1940 1 67 SER H 1 68 ILE H . . 5.030 4.561 4.488 4.594 . 0 0 "[ . 1 . 2]" 1 1941 1 67 SER H 1 68 ILE HG13 . . 5.440 5.058 4.963 5.177 . 0 0 "[ . 1 . 2]" 1 1942 1 67 SER HA 1 68 ILE H . . 2.940 2.260 2.219 2.305 . 0 0 "[ . 1 . 2]" 1 1943 1 67 SER HA 1 68 ILE HA . . 5.110 4.388 4.378 4.394 . 0 0 "[ . 1 . 2]" 1 1944 1 67 SER HA 1 68 ILE HB . . 5.050 4.601 4.537 4.767 . 0 0 "[ . 1 . 2]" 1 1945 1 67 SER QB 1 68 ILE H . . 3.570 3.227 3.052 3.517 . 0 0 "[ . 1 . 2]" 1 1946 1 67 SER QB 1 68 ILE HG13 . . 5.500 5.026 4.937 5.226 . 0 0 "[ . 1 . 2]" 1 1947 1 67 SER QB 1 69 ASN HD21 . . 4.840 3.839 3.039 4.346 . 0 0 "[ . 1 . 2]" 1 1948 1 67 SER QB 1 69 ASN HD22 . . 4.310 4.058 3.627 4.856 0.546 10 1 "[ . + . 2]" 1 1949 1 68 ILE H 1 68 ILE HB . . 3.480 2.474 2.370 2.654 . 0 0 "[ . 1 . 2]" 1 1950 1 68 ILE H 1 68 ILE MD . . 4.680 3.732 3.577 3.863 . 0 0 "[ . 1 . 2]" 1 1951 1 68 ILE H 1 68 ILE HG12 . . 4.030 3.746 3.523 3.909 . 0 0 "[ . 1 . 2]" 1 1952 1 68 ILE H 1 68 ILE HG13 . . 3.860 2.520 2.313 2.679 . 0 0 "[ . 1 . 2]" 1 1953 1 68 ILE H 1 68 ILE MG . . 4.500 3.768 3.718 3.837 . 0 0 "[ . 1 . 2]" 1 1954 1 68 ILE H 1 69 ASN H . . 5.210 4.475 4.295 4.576 . 0 0 "[ . 1 . 2]" 1 1955 1 68 ILE HA 1 68 ILE MD . . 4.110 3.842 3.812 3.888 . 0 0 "[ . 1 . 2]" 1 1956 1 68 ILE HA 1 68 ILE HG12 . . 3.390 2.578 2.512 2.688 . 0 0 "[ . 1 . 2]" 1 1957 1 68 ILE HA 1 68 ILE HG13 . . 3.850 2.993 2.847 3.185 . 0 0 "[ . 1 . 2]" 1 1958 1 68 ILE HA 1 68 ILE MG . . 3.320 2.422 2.198 2.494 . 0 0 "[ . 1 . 2]" 1 1959 1 68 ILE HA 1 69 ASN H . . 3.000 2.211 2.177 2.265 . 0 0 "[ . 1 . 2]" 1 1960 1 68 ILE HA 1 69 ASN HA . . 4.920 4.334 4.327 4.347 . 0 0 "[ . 1 . 2]" 1 1961 1 68 ILE HA 1 69 ASN HB2 . . 4.940 4.236 4.117 5.559 0.619 10 1 "[ . + . 2]" 1 1962 1 68 ILE HA 1 69 ASN HB3 . . 5.500 5.474 5.012 5.543 0.043 8 0 "[ . 1 . 2]" 1 1963 1 68 ILE HA 1 70 SER H . . 4.280 3.844 3.537 4.014 . 0 0 "[ . 1 . 2]" 1 1964 1 68 ILE HA 1 73 GLU H . . 5.500 5.190 4.953 5.396 . 0 0 "[ . 1 . 2]" 1 1965 1 68 ILE HA 1 73 GLU HB2 . . 3.680 3.026 2.694 3.321 . 0 0 "[ . 1 . 2]" 1 1966 1 68 ILE HA 1 73 GLU HB3 . . 3.420 2.275 2.024 2.418 . 0 0 "[ . 1 . 2]" 1 1967 1 68 ILE HA 1 73 GLU HG2 . . 4.400 4.021 3.081 4.402 0.002 18 0 "[ . 1 . 2]" 1 1968 1 68 ILE HA 1 73 GLU HG3 . . 4.560 4.314 4.047 4.492 . 0 0 "[ . 1 . 2]" 1 1969 1 68 ILE HA 1 74 TYR H . . 4.950 4.875 4.729 4.968 0.018 7 0 "[ . 1 . 2]" 1 1970 1 68 ILE HB 1 68 ILE MD . . 3.120 2.363 2.243 2.433 . 0 0 "[ . 1 . 2]" 1 1971 1 68 ILE HB 1 69 ASN H . . 5.280 4.228 4.091 4.461 . 0 0 "[ . 1 . 2]" 1 1972 1 68 ILE HB 1 70 SER H . . 5.500 5.374 4.409 5.523 0.023 5 0 "[ . 1 . 2]" 1 1973 1 68 ILE HB 1 90 MET ME . . 5.500 4.198 4.088 4.339 . 0 0 "[ . 1 . 2]" 1 1974 1 68 ILE MD 1 68 ILE MG . . 3.030 1.942 1.898 2.017 . 0 0 "[ . 1 . 2]" 1 1975 1 68 ILE MD 1 69 ASN H . . 5.500 5.127 4.918 5.359 . 0 0 "[ . 1 . 2]" 1 1976 1 68 ILE MD 1 73 GLU HB3 . . 4.590 3.774 3.511 4.023 . 0 0 "[ . 1 . 2]" 1 1977 1 68 ILE MD 1 74 TYR H . . 5.100 3.790 3.487 4.178 . 0 0 "[ . 1 . 2]" 1 1978 1 68 ILE MD 1 74 TYR HA . . 3.370 2.008 1.865 2.321 . 0 0 "[ . 1 . 2]" 1 1979 1 68 ILE MD 1 74 TYR HB2 . . 4.730 2.899 2.579 3.304 . 0 0 "[ . 1 . 2]" 1 1980 1 68 ILE MD 1 74 TYR HB3 . . 4.720 4.120 3.848 4.450 . 0 0 "[ . 1 . 2]" 1 1981 1 68 ILE MD 1 74 TYR QD . . 3.630 2.188 1.955 2.383 . 0 0 "[ . 1 . 2]" 1 1982 1 68 ILE MD 1 77 ALA H . . 5.030 4.030 3.854 4.449 . 0 0 "[ . 1 . 2]" 1 1983 1 68 ILE MD 1 77 ALA HA . . 4.890 4.644 4.475 4.869 . 0 0 "[ . 1 . 2]" 1 1984 1 68 ILE MD 1 77 ALA MB . . 2.930 2.159 2.033 2.342 . 0 0 "[ . 1 . 2]" 1 1985 1 68 ILE MD 1 90 MET ME . . 3.120 2.387 2.283 2.504 . 0 0 "[ . 1 . 2]" 1 1986 1 68 ILE MD 1 90 MET HG2 . . 4.540 3.703 3.414 3.877 . 0 0 "[ . 1 . 2]" 1 1987 1 68 ILE MD 1 90 MET HG3 . . 5.280 5.028 4.797 5.180 . 0 0 "[ . 1 . 2]" 1 1988 1 68 ILE HG12 1 69 ASN H . . 4.900 4.471 4.273 4.770 . 0 0 "[ . 1 . 2]" 1 1989 1 68 ILE HG12 1 73 GLU HB2 . . 4.960 3.812 3.394 4.441 . 0 0 "[ . 1 . 2]" 1 1990 1 68 ILE HG12 1 77 ALA MB . . 4.180 3.407 3.162 3.546 . 0 0 "[ . 1 . 2]" 1 1991 1 68 ILE HG13 1 69 ASN H . . 5.450 5.078 4.926 5.229 . 0 0 "[ . 1 . 2]" 1 1992 1 68 ILE HG13 1 77 ALA MB . . 4.370 4.028 3.854 4.259 . 0 0 "[ . 1 . 2]" 1 1993 1 68 ILE HG13 1 90 MET ME . . 4.350 4.323 4.218 4.369 0.019 7 0 "[ . 1 . 2]" 1 1994 1 68 ILE MG 1 69 ASN H . . 4.050 2.571 2.317 3.077 . 0 0 "[ . 1 . 2]" 1 1995 1 68 ILE MG 1 69 ASN HA . . 4.270 3.712 3.516 4.135 . 0 0 "[ . 1 . 2]" 1 1996 1 68 ILE MG 1 70 SER H . . 3.580 2.912 2.062 3.099 . 0 0 "[ . 1 . 2]" 1 1997 1 68 ILE MG 1 73 GLU H . . 4.990 3.616 3.461 3.766 . 0 0 "[ . 1 . 2]" 1 1998 1 68 ILE MG 1 73 GLU HA . . 5.330 4.015 3.847 4.242 . 0 0 "[ . 1 . 2]" 1 1999 1 68 ILE MG 1 73 GLU HB2 . . 3.770 2.181 1.961 2.484 . 0 0 "[ . 1 . 2]" 1 2000 1 68 ILE MG 1 73 GLU HB3 . . 4.090 2.176 1.956 2.551 . 0 0 "[ . 1 . 2]" 1 2001 1 68 ILE MG 1 73 GLU HG2 . . 4.610 4.343 3.912 4.578 . 0 0 "[ . 1 . 2]" 1 2002 1 68 ILE MG 1 74 TYR H . . 3.850 2.309 2.058 2.426 . 0 0 "[ . 1 . 2]" 1 2003 1 68 ILE MG 1 74 TYR HA . . 3.340 2.589 2.057 2.893 . 0 0 "[ . 1 . 2]" 1 2004 1 68 ILE MG 1 74 TYR HB2 . . 3.580 1.994 1.918 2.095 . 0 0 "[ . 1 . 2]" 1 2005 1 68 ILE MG 1 74 TYR HB3 . . 3.950 3.356 3.255 3.458 . 0 0 "[ . 1 . 2]" 1 2006 1 68 ILE MG 1 74 TYR QD . . 4.110 3.312 2.927 3.532 . 0 0 "[ . 1 . 2]" 1 2007 1 68 ILE MG 1 75 GLU H . . 5.500 4.431 4.283 4.602 . 0 0 "[ . 1 . 2]" 1 2008 1 68 ILE MG 1 77 ALA H . . 5.500 5.169 4.714 5.455 . 0 0 "[ . 1 . 2]" 1 2009 1 68 ILE MG 1 77 ALA MB . . 5.150 3.991 3.542 4.241 . 0 0 "[ . 1 . 2]" 1 2010 1 68 ILE MG 1 90 MET ME . . 4.970 4.300 4.097 4.417 . 0 0 "[ . 1 . 2]" 1 2011 1 69 ASN H 1 69 ASN HB2 . . 3.580 2.438 2.318 3.511 . 0 0 "[ . 1 . 2]" 1 2012 1 69 ASN H 1 69 ASN HB3 . . 3.990 3.436 3.402 3.482 . 0 0 "[ . 1 . 2]" 1 2013 1 69 ASN H 1 69 ASN HD21 . . 4.980 3.269 2.788 3.769 . 0 0 "[ . 1 . 2]" 1 2014 1 69 ASN H 1 69 ASN HD22 . . 5.160 4.775 3.039 5.161 0.001 1 0 "[ . 1 . 2]" 1 2015 1 69 ASN H 1 70 SER H . . 3.260 1.960 1.885 2.524 . 0 0 "[ . 1 . 2]" 1 2016 1 69 ASN H 1 73 GLU H . . 5.380 4.550 4.304 5.010 . 0 0 "[ . 1 . 2]" 1 2017 1 69 ASN H 1 73 GLU HB2 . . 3.980 2.627 2.414 3.056 . 0 0 "[ . 1 . 2]" 1 2018 1 69 ASN H 1 73 GLU HB3 . . 4.200 3.198 2.905 3.380 . 0 0 "[ . 1 . 2]" 1 2019 1 69 ASN H 1 73 GLU HG2 . . 5.000 4.339 3.492 4.562 . 0 0 "[ . 1 . 2]" 1 2020 1 69 ASN H 1 73 GLU HG3 . . 5.500 3.812 3.295 4.569 . 0 0 "[ . 1 . 2]" 1 2021 1 69 ASN HA 1 69 ASN HD21 . . 4.790 3.145 2.715 3.645 . 0 0 "[ . 1 . 2]" 1 2022 1 69 ASN HA 1 70 SER HA . . 4.520 4.529 4.362 4.554 0.034 3 0 "[ . 1 . 2]" 1 2023 1 69 ASN HB2 1 70 SER H . . 4.560 3.029 2.784 4.266 . 0 0 "[ . 1 . 2]" 1 2024 1 69 ASN HB3 1 70 SER H . . 4.880 3.332 3.025 4.314 . 0 0 "[ . 1 . 2]" 1 2025 1 69 ASN HB3 1 70 SER QB . . 5.500 3.970 3.381 5.099 . 0 0 "[ . 1 . 2]" 1 2026 1 70 SER H 1 71 GLN H . . 5.500 4.428 4.284 4.487 . 0 0 "[ . 1 . 2]" 1 2027 1 70 SER H 1 73 GLU H . . 4.860 3.566 3.360 4.046 . 0 0 "[ . 1 . 2]" 1 2028 1 70 SER H 1 73 GLU HB2 . . 3.770 2.486 2.330 2.678 . 0 0 "[ . 1 . 2]" 1 2029 1 70 SER H 1 73 GLU HB3 . . 4.160 3.895 3.673 4.080 . 0 0 "[ . 1 . 2]" 1 2030 1 70 SER H 1 73 GLU HG2 . . 4.860 4.773 4.224 5.472 0.612 8 2 "[- . + 1 . 2]" 1 2031 1 70 SER H 1 74 TYR H . . 4.700 4.447 4.077 4.611 . 0 0 "[ . 1 . 2]" 1 2032 1 70 SER H 1 74 TYR HB2 . . 5.500 5.370 4.568 5.504 0.004 7 0 "[ . 1 . 2]" 1 2033 1 70 SER QB 1 71 GLN H . . 4.220 2.499 2.122 3.393 . 0 0 "[ . 1 . 2]" 1 2034 1 70 SER QB 1 72 GLY H . . 4.320 2.996 2.643 3.950 . 0 0 "[ . 1 . 2]" 1 2035 1 70 SER QB 1 73 GLU H . . 4.800 3.033 2.911 3.135 . 0 0 "[ . 1 . 2]" 1 2036 1 70 SER QB 1 73 GLU HB2 . . 5.500 3.660 2.846 3.941 . 0 0 "[ . 1 . 2]" 1 2037 1 70 SER QB 1 74 TYR H . . 5.100 4.765 4.685 4.868 . 0 0 "[ . 1 . 2]" 1 2038 1 71 GLN H 1 71 GLN HB2 . . 3.930 2.539 2.440 2.620 . 0 0 "[ . 1 . 2]" 1 2039 1 71 GLN H 1 71 GLN HB3 . . 3.740 2.418 2.350 2.505 . 0 0 "[ . 1 . 2]" 1 2040 1 71 GLN H 1 71 GLN HG3 . . 5.280 4.343 4.327 4.357 . 0 0 "[ . 1 . 2]" 1 2041 1 71 GLN H 1 72 GLY H . . 4.790 2.783 2.658 2.883 . 0 0 "[ . 1 . 2]" 1 2042 1 71 GLN HA 1 71 GLN HE21 . . 5.310 3.314 2.159 3.998 . 0 0 "[ . 1 . 2]" 1 2043 1 71 GLN HA 1 71 GLN HE22 . . 5.500 4.340 3.580 4.878 . 0 0 "[ . 1 . 2]" 1 2044 1 71 GLN HA 1 71 GLN HG2 . . 3.890 3.781 3.690 3.834 . 0 0 "[ . 1 . 2]" 1 2045 1 71 GLN HA 1 73 GLU H . . 5.500 4.303 4.155 4.444 . 0 0 "[ . 1 . 2]" 1 2046 1 71 GLN HA 1 74 TYR H . . 4.390 3.162 3.093 3.302 . 0 0 "[ . 1 . 2]" 1 2047 1 71 GLN HA 1 74 TYR HB2 . . 3.660 3.140 2.994 3.359 . 0 0 "[ . 1 . 2]" 1 2048 1 71 GLN HA 1 74 TYR HB3 . . 3.410 2.539 2.398 2.785 . 0 0 "[ . 1 . 2]" 1 2049 1 71 GLN HA 1 74 TYR QD . . 4.010 3.503 3.325 3.703 . 0 0 "[ . 1 . 2]" 1 2050 1 71 GLN HA 1 75 GLU H . . 4.920 3.788 3.640 4.022 . 0 0 "[ . 1 . 2]" 1 2051 1 71 GLN HB2 1 71 GLN HE21 . . 4.740 3.806 3.198 4.267 . 0 0 "[ . 1 . 2]" 1 2052 1 71 GLN HB2 1 71 GLN HG2 . . 2.990 2.819 2.726 2.900 . 0 0 "[ . 1 . 2]" 1 2053 1 71 GLN HB2 1 72 GLY H . . 3.930 3.846 3.781 3.977 0.047 7 0 "[ . 1 . 2]" 1 2054 1 71 GLN HB3 1 71 GLN HE21 . . 4.750 4.481 4.066 4.660 . 0 0 "[ . 1 . 2]" 1 2055 1 71 GLN HB3 1 71 GLN HG2 . . 2.860 2.273 2.264 2.298 . 0 0 "[ . 1 . 2]" 1 2056 1 71 GLN HB3 1 71 GLN HG3 . . 2.880 2.819 2.726 2.900 0.020 5 0 "[ . 1 . 2]" 1 2057 1 71 GLN HB3 1 72 GLY H . . 4.590 2.441 2.357 2.627 . 0 0 "[ . 1 . 2]" 1 2058 1 71 GLN HE21 1 71 GLN HG2 . . 3.470 3.261 2.984 3.533 0.063 12 0 "[ . 1 . 2]" 1 2059 1 71 GLN HE21 1 74 TYR QD . . 5.190 2.262 1.943 3.131 . 0 0 "[ . 1 . 2]" 1 2060 1 71 GLN HE21 1 75 GLU HG2 . . 3.860 2.833 2.423 3.556 . 0 0 "[ . 1 . 2]" 1 2061 1 71 GLN HE21 1 75 GLU HG3 . . 3.980 3.598 3.031 3.975 . 0 0 "[ . 1 . 2]" 1 2062 1 71 GLN HE22 1 74 TYR QD . . 4.320 2.819 2.077 3.539 . 0 0 "[ . 1 . 2]" 1 2063 1 71 GLN HE22 1 75 GLU HG2 . . 4.680 4.209 3.902 4.443 . 0 0 "[ . 1 . 2]" 1 2064 1 71 GLN HE22 1 75 GLU HG3 . . 5.170 5.038 4.750 5.180 0.010 12 0 "[ . 1 . 2]" 1 2065 1 71 GLN HG2 1 72 GLY H . . 5.200 3.854 3.717 4.066 . 0 0 "[ . 1 . 2]" 1 2066 1 71 GLN HG2 1 72 GLY HA2 . . 5.500 4.239 4.054 4.510 . 0 0 "[ . 1 . 2]" 1 2067 1 71 GLN HG2 1 72 GLY HA3 . . 5.500 5.310 5.159 5.482 . 0 0 "[ . 1 . 2]" 1 2068 1 71 GLN HG3 1 72 GLY H . . 4.990 3.763 3.562 3.978 . 0 0 "[ . 1 . 2]" 1 2069 1 71 GLN HG3 1 72 GLY HA2 . . 5.390 3.938 3.687 4.257 . 0 0 "[ . 1 . 2]" 1 2070 1 71 GLN HG3 1 72 GLY HA3 . . 5.500 5.075 4.855 5.357 . 0 0 "[ . 1 . 2]" 1 2071 1 72 GLY H 1 73 GLU H . . 4.040 3.039 2.880 3.119 . 0 0 "[ . 1 . 2]" 1 2072 1 72 GLY H 1 74 TYR H . . 5.150 4.349 4.171 4.559 . 0 0 "[ . 1 . 2]" 1 2073 1 72 GLY HA2 1 75 GLU H . . 4.470 3.581 3.488 3.672 . 0 0 "[ . 1 . 2]" 1 2074 1 72 GLY HA2 1 75 GLU HB2 . . 4.860 2.655 2.585 2.786 . 0 0 "[ . 1 . 2]" 1 2075 1 72 GLY HA2 1 75 GLU HB3 . . 4.150 4.157 4.125 4.173 0.023 17 0 "[ . 1 . 2]" 1 2076 1 72 GLY HA2 1 75 GLU HG2 . . 5.500 4.347 4.024 4.429 . 0 0 "[ . 1 . 2]" 1 2077 1 72 GLY HA2 1 75 GLU HG3 . . 4.030 2.706 2.300 2.790 . 0 0 "[ . 1 . 2]" 1 2078 1 72 GLY HA3 1 73 GLU HB2 . . 5.500 4.976 4.782 5.232 . 0 0 "[ . 1 . 2]" 1 2079 1 72 GLY HA3 1 75 GLU H . . 4.970 4.740 4.676 4.834 . 0 0 "[ . 1 . 2]" 1 2080 1 72 GLY HA3 1 75 GLU HB2 . . 5.000 4.218 4.185 4.315 . 0 0 "[ . 1 . 2]" 1 2081 1 72 GLY HA3 1 75 GLU HG3 . . 4.380 4.318 3.889 4.394 0.014 4 0 "[ . 1 . 2]" 1 2082 1 73 GLU H 1 73 GLU HB2 . . 3.420 2.187 2.050 2.408 . 0 0 "[ . 1 . 2]" 1 2083 1 73 GLU H 1 73 GLU HB3 . . 3.910 3.459 3.336 3.543 . 0 0 "[ . 1 . 2]" 1 2084 1 73 GLU H 1 73 GLU HG2 . . 3.530 3.729 3.347 4.144 0.614 4 3 "[ +. * . -2]" 1 2085 1 73 GLU H 1 73 GLU HG3 . . 4.120 2.844 2.204 3.229 . 0 0 "[ . 1 . 2]" 1 2086 1 73 GLU H 1 74 TYR H . . 3.580 2.723 2.646 2.864 . 0 0 "[ . 1 . 2]" 1 2087 1 73 GLU H 1 74 TYR HB2 . . 5.190 4.873 4.782 4.978 . 0 0 "[ . 1 . 2]" 1 2088 1 73 GLU H 1 74 TYR HB3 . . 5.260 4.740 4.660 4.879 . 0 0 "[ . 1 . 2]" 1 2089 1 73 GLU H 1 75 GLU H . . 4.690 4.275 4.131 4.401 . 0 0 "[ . 1 . 2]" 1 2090 1 73 GLU HA 1 73 GLU HG2 . . 2.830 2.335 2.106 3.169 0.339 4 0 "[ . 1 . 2]" 1 2091 1 73 GLU HA 1 73 GLU HG3 . . 3.160 2.804 2.086 3.153 . 0 0 "[ . 1 . 2]" 1 2092 1 73 GLU HA 1 75 GLU H . . 5.070 4.748 4.614 4.915 . 0 0 "[ . 1 . 2]" 1 2093 1 73 GLU HA 1 76 GLU QG . . 4.110 3.710 2.596 4.104 . 0 0 "[ . 1 . 2]" 1 2094 1 73 GLU HA 1 77 ALA H . . 4.560 4.504 4.357 4.587 0.027 12 0 "[ . 1 . 2]" 1 2095 1 73 GLU HB2 1 74 TYR H . . 3.890 2.836 2.683 3.080 . 0 0 "[ . 1 . 2]" 1 2096 1 73 GLU HB3 1 74 TYR H . . 4.300 3.351 2.961 3.788 . 0 0 "[ . 1 . 2]" 1 2097 1 73 GLU HG2 1 74 TYR H . . 5.500 5.058 4.944 5.373 . 0 0 "[ . 1 . 2]" 1 2098 1 74 TYR H 1 74 TYR HB2 . . 3.400 2.314 2.243 2.404 . 0 0 "[ . 1 . 2]" 1 2099 1 74 TYR H 1 74 TYR HB3 . . 3.270 2.336 2.271 2.401 . 0 0 "[ . 1 . 2]" 1 2100 1 74 TYR H 1 74 TYR QD . . 4.490 4.063 4.049 4.076 . 0 0 "[ . 1 . 2]" 1 2101 1 74 TYR H 1 75 GLU H . . 3.550 2.689 2.587 2.844 . 0 0 "[ . 1 . 2]" 1 2102 1 74 TYR H 1 75 GLU HA . . 5.500 5.169 5.080 5.296 . 0 0 "[ . 1 . 2]" 1 2103 1 74 TYR H 1 75 GLU HG3 . . 4.870 4.681 4.415 4.879 0.009 11 0 "[ . 1 . 2]" 1 2104 1 74 TYR H 1 76 GLU H . . 5.220 4.693 4.601 4.822 . 0 0 "[ . 1 . 2]" 1 2105 1 74 TYR H 1 77 ALA MB . . 5.500 4.602 4.518 4.696 . 0 0 "[ . 1 . 2]" 1 2106 1 74 TYR HA 1 74 TYR QD . . 3.210 2.051 1.995 2.139 . 0 0 "[ . 1 . 2]" 1 2107 1 74 TYR HA 1 74 TYR QE . . 4.720 4.458 4.394 4.512 . 0 0 "[ . 1 . 2]" 1 2108 1 74 TYR HA 1 76 GLU H . . 4.860 4.871 4.769 4.929 0.069 12 0 "[ . 1 . 2]" 1 2109 1 74 TYR HA 1 77 ALA H . . 4.060 3.517 3.441 3.577 . 0 0 "[ . 1 . 2]" 1 2110 1 74 TYR HA 1 77 ALA MB . . 3.400 2.451 2.337 2.567 . 0 0 "[ . 1 . 2]" 1 2111 1 74 TYR HA 1 78 LEU H . . 4.840 4.067 3.963 4.220 . 0 0 "[ . 1 . 2]" 1 2112 1 74 TYR HB2 1 75 GLU H . . 3.750 3.694 3.589 3.732 . 0 0 "[ . 1 . 2]" 1 2113 1 74 TYR HB3 1 75 GLU H . . 3.770 2.283 2.196 2.357 . 0 0 "[ . 1 . 2]" 1 2114 1 74 TYR QD 1 75 GLU H . . 4.550 3.924 3.774 4.015 . 0 0 "[ . 1 . 2]" 1 2115 1 74 TYR QD 1 75 GLU HA . . 5.100 4.373 4.225 4.448 . 0 0 "[ . 1 . 2]" 1 2116 1 74 TYR QD 1 75 GLU HG2 . . 4.640 4.222 3.930 4.422 . 0 0 "[ . 1 . 2]" 1 2117 1 74 TYR QD 1 75 GLU HG3 . . 5.200 5.034 4.691 5.200 . 18 0 "[ . 1 . 2]" 1 2118 1 74 TYR QD 1 77 ALA H . . 5.500 4.706 4.450 4.923 . 0 0 "[ . 1 . 2]" 1 2119 1 74 TYR QD 1 77 ALA MB . . 3.770 2.780 2.518 2.994 . 0 0 "[ . 1 . 2]" 1 2120 1 74 TYR QD 1 78 LEU H . . 5.350 4.085 3.813 4.370 . 0 0 "[ . 1 . 2]" 1 2121 1 74 TYR QD 1 78 LEU MD1 . . 4.890 2.879 2.677 3.242 . 0 0 "[ . 1 . 2]" 1 2122 1 74 TYR QD 1 78 LEU MD2 . . 4.880 3.988 3.620 4.230 . 0 0 "[ . 1 . 2]" 1 2123 1 74 TYR QD 1 78 LEU HG . . 5.150 3.100 2.772 3.433 . 0 0 "[ . 1 . 2]" 1 2124 1 74 TYR QD 1 90 MET ME . . 4.580 3.366 3.206 3.514 . 0 0 "[ . 1 . 2]" 1 2125 1 74 TYR QE 1 78 LEU MD1 . . 4.030 2.522 2.260 2.792 . 0 0 "[ . 1 . 2]" 1 2126 1 74 TYR QE 1 78 LEU MD2 . . 3.770 2.632 1.970 3.130 . 0 0 "[ . 1 . 2]" 1 2127 1 74 TYR QE 1 90 MET ME . . 4.500 2.856 2.410 3.212 . 0 0 "[ . 1 . 2]" 1 2128 1 75 GLU H 1 75 GLU HB2 . . 3.830 2.481 2.428 2.611 . 0 0 "[ . 1 . 2]" 1 2129 1 75 GLU H 1 75 GLU HB3 . . 3.520 3.561 3.552 3.570 0.050 19 0 "[ . 1 . 2]" 1 2130 1 75 GLU H 1 75 GLU HG2 . . 3.350 2.676 2.395 2.831 . 0 0 "[ . 1 . 2]" 1 2131 1 75 GLU H 1 75 GLU HG3 . . 3.210 2.574 2.335 2.737 . 0 0 "[ . 1 . 2]" 1 2132 1 75 GLU H 1 76 GLU H . . 3.700 3.189 3.127 3.245 . 0 0 "[ . 1 . 2]" 1 2133 1 75 GLU H 1 76 GLU QG . . 5.350 4.762 3.778 5.132 . 0 0 "[ . 1 . 2]" 1 2134 1 75 GLU H 1 77 ALA H . . 5.400 4.475 4.328 4.556 . 0 0 "[ . 1 . 2]" 1 2135 1 75 GLU H 1 78 LEU H . . 5.500 4.617 4.560 4.656 . 0 0 "[ . 1 . 2]" 1 2136 1 75 GLU H 1 78 LEU MD1 . . 5.450 4.017 3.916 4.091 . 0 0 "[ . 1 . 2]" 1 2137 1 75 GLU HA 1 75 GLU HB3 . . 3.020 2.584 2.505 2.612 . 0 0 "[ . 1 . 2]" 1 2138 1 75 GLU HA 1 75 GLU HG2 . . 3.690 2.219 2.169 2.349 . 0 0 "[ . 1 . 2]" 1 2139 1 75 GLU HA 1 75 GLU HG3 . . 3.550 3.427 3.354 3.537 . 0 0 "[ . 1 . 2]" 1 2140 1 75 GLU HA 1 76 GLU HA . . 4.920 4.813 4.803 4.835 . 0 0 "[ . 1 . 2]" 1 2141 1 75 GLU HA 1 77 ALA H . . 5.350 4.751 4.494 4.853 . 0 0 "[ . 1 . 2]" 1 2142 1 75 GLU HA 1 78 LEU H . . 4.050 3.450 3.311 3.514 . 0 0 "[ . 1 . 2]" 1 2143 1 75 GLU HA 1 78 LEU HB2 . . 3.640 2.562 2.528 2.595 . 0 0 "[ . 1 . 2]" 1 2144 1 75 GLU HA 1 78 LEU HB3 . . 4.070 4.118 4.100 4.141 0.071 1 0 "[ . 1 . 2]" 1 2145 1 75 GLU HA 1 78 LEU MD1 . . 3.530 2.696 2.487 2.773 . 0 0 "[ . 1 . 2]" 1 2146 1 75 GLU HA 1 78 LEU MD2 . . 5.330 4.902 4.778 4.957 . 0 0 "[ . 1 . 2]" 1 2147 1 75 GLU HA 1 78 LEU HG . . 4.150 3.956 3.666 4.147 . 0 0 "[ . 1 . 2]" 1 2148 1 75 GLU HA 1 79 LYS H . . 5.100 4.371 4.290 4.488 . 0 0 "[ . 1 . 2]" 1 2149 1 75 GLU HB2 1 76 GLU H . . 4.290 2.262 2.170 2.306 . 0 0 "[ . 1 . 2]" 1 2150 1 75 GLU HB2 1 76 GLU HA . . 5.480 4.309 4.133 4.375 . 0 0 "[ . 1 . 2]" 1 2151 1 75 GLU HB3 1 76 GLU H . . 3.610 3.102 3.030 3.270 . 0 0 "[ . 1 . 2]" 1 2152 1 75 GLU HG2 1 76 GLU H . . 5.260 4.671 4.562 4.717 . 0 0 "[ . 1 . 2]" 1 2153 1 75 GLU HG2 1 78 LEU MD1 . . 5.500 3.583 3.389 3.701 . 0 0 "[ . 1 . 2]" 1 2154 1 76 GLU H 1 76 GLU QB . . 3.040 2.421 2.301 2.686 . 0 0 "[ . 1 . 2]" 1 2155 1 76 GLU H 1 76 GLU QG . . 3.440 2.195 1.849 2.444 . 0 0 "[ . 1 . 2]" 1 2156 1 76 GLU H 1 77 ALA H . . 3.450 3.001 2.968 3.048 . 0 0 "[ . 1 . 2]" 1 2157 1 76 GLU H 1 77 ALA HA . . 5.500 5.470 5.449 5.502 0.002 15 0 "[ . 1 . 2]" 1 2158 1 76 GLU H 1 77 ALA MB . . 5.330 4.459 4.403 4.536 . 0 0 "[ . 1 . 2]" 1 2159 1 76 GLU H 1 78 LEU H . . 4.810 4.187 4.125 4.280 . 0 0 "[ . 1 . 2]" 1 2160 1 76 GLU H 1 78 LEU MD1 . . 5.500 5.542 5.514 5.569 0.069 20 0 "[ . 1 . 2]" 1 2161 1 76 GLU HA 1 76 GLU QG . . 3.420 2.560 2.144 3.326 . 0 0 "[ . 1 . 2]" 1 2162 1 76 GLU HA 1 78 LEU H . . 5.020 4.269 4.180 4.370 . 0 0 "[ . 1 . 2]" 1 2163 1 76 GLU HA 1 79 LYS H . . 3.550 3.096 3.018 3.218 . 0 0 "[ . 1 . 2]" 1 2164 1 76 GLU HA 1 79 LYS HB2 . . 3.480 2.407 2.276 2.920 . 0 0 "[ . 1 . 2]" 1 2165 1 76 GLU HA 1 79 LYS HB3 . . 4.190 3.968 3.879 4.234 0.044 11 0 "[ . 1 . 2]" 1 2166 1 76 GLU HA 1 79 LYS HD2 . . 4.060 2.059 1.946 3.435 . 0 0 "[ . 1 . 2]" 1 2167 1 76 GLU HA 1 79 LYS HD3 . . 3.420 2.319 1.989 3.444 0.024 12 0 "[ . 1 . 2]" 1 2168 1 76 GLU HA 1 79 LYS HE2 . . 4.600 4.561 3.911 4.626 0.026 6 0 "[ . 1 . 2]" 1 2169 1 76 GLU HA 1 79 LYS HE3 . . 4.530 4.240 4.148 4.639 0.109 18 0 "[ . 1 . 2]" 1 2170 1 76 GLU HA 1 79 LYS HG2 . . 4.140 4.250 3.836 4.320 0.180 3 0 "[ . 1 . 2]" 1 2171 1 76 GLU HA 1 79 LYS HG3 . . 3.950 3.710 2.206 3.982 0.032 10 0 "[ . 1 . 2]" 1 2172 1 76 GLU HA 1 80 MET H . . 5.270 4.249 4.105 4.678 . 0 0 "[ . 1 . 2]" 1 2173 1 76 GLU QB 1 77 ALA H . . 3.440 2.521 2.329 3.257 . 0 0 "[ . 1 . 2]" 1 2174 1 76 GLU QB 1 77 ALA HA . . 4.650 3.849 3.782 4.202 . 0 0 "[ . 1 . 2]" 1 2175 1 76 GLU QB 1 77 ALA MB . . 4.940 3.823 3.679 4.412 . 0 0 "[ . 1 . 2]" 1 2176 1 76 GLU QG 1 77 ALA H . . 4.810 3.760 1.792 4.290 . 0 0 "[ . 1 . 2]" 1 2177 1 77 ALA H 1 77 ALA MB . . 3.090 2.032 1.936 2.164 . 0 0 "[ . 1 . 2]" 1 2178 1 77 ALA H 1 78 LEU H . . 3.550 2.827 2.765 2.883 . 0 0 "[ . 1 . 2]" 1 2179 1 77 ALA H 1 78 LEU HB2 . . 5.270 4.791 4.695 4.832 . 0 0 "[ . 1 . 2]" 1 2180 1 77 ALA H 1 78 LEU MD1 . . 5.500 5.473 5.390 5.518 0.018 2 0 "[ . 1 . 2]" 1 2181 1 77 ALA H 1 78 LEU HG . . 5.400 5.052 4.848 5.187 . 0 0 "[ . 1 . 2]" 1 2182 1 77 ALA H 1 79 LYS H . . 4.880 4.055 3.997 4.113 . 0 0 "[ . 1 . 2]" 1 2183 1 77 ALA HA 1 80 MET H . . 3.710 3.266 3.139 3.341 . 0 0 "[ . 1 . 2]" 1 2184 1 77 ALA HA 1 80 MET HB2 . . 4.090 3.035 2.723 3.373 . 0 0 "[ . 1 . 2]" 1 2185 1 77 ALA HA 1 80 MET HB3 . . 3.630 3.090 2.947 3.341 . 0 0 "[ . 1 . 2]" 1 2186 1 77 ALA HA 1 80 MET ME . . 4.490 4.381 4.130 4.500 0.010 12 0 "[ . 1 . 2]" 1 2187 1 77 ALA HA 1 80 MET HG2 . . 5.500 5.534 5.522 5.551 0.051 11 0 "[ . 1 . 2]" 1 2188 1 77 ALA HA 1 80 MET HG3 . . 5.500 5.235 5.001 5.451 . 0 0 "[ . 1 . 2]" 1 2189 1 77 ALA HA 1 81 ALA H . . 4.700 4.129 3.939 4.349 . 0 0 "[ . 1 . 2]" 1 2190 1 77 ALA HA 1 88 LEU MD1 . . 4.380 3.687 3.522 3.881 . 0 0 "[ . 1 . 2]" 1 2191 1 77 ALA HA 1 88 LEU MD2 . . 4.390 3.175 2.943 3.490 . 0 0 "[ . 1 . 2]" 1 2192 1 77 ALA MB 1 78 LEU H . . 3.470 2.658 2.535 2.756 . 0 0 "[ . 1 . 2]" 1 2193 1 77 ALA MB 1 78 LEU HA . . 4.010 3.789 3.731 3.870 . 0 0 "[ . 1 . 2]" 1 2194 1 77 ALA MB 1 78 LEU HB2 . . 4.810 4.405 4.341 4.492 . 0 0 "[ . 1 . 2]" 1 2195 1 77 ALA MB 1 78 LEU HG . . 4.960 3.482 3.362 3.584 . 0 0 "[ . 1 . 2]" 1 2196 1 77 ALA MB 1 79 LYS H . . 4.970 4.425 4.358 4.482 . 0 0 "[ . 1 . 2]" 1 2197 1 77 ALA MB 1 88 LEU MD2 . . 2.400 1.850 1.744 2.091 . 0 0 "[ . 1 . 2]" 1 2198 1 78 LEU H 1 78 LEU HB2 . . 3.260 2.209 2.191 2.247 . 0 0 "[ . 1 . 2]" 1 2199 1 78 LEU H 1 78 LEU HB3 . . 3.640 3.480 3.472 3.496 . 0 0 "[ . 1 . 2]" 1 2200 1 78 LEU H 1 78 LEU MD1 . . 4.470 3.585 3.521 3.660 . 0 0 "[ . 1 . 2]" 1 2201 1 78 LEU H 1 78 LEU MD2 . . 4.140 3.795 3.653 3.878 . 0 0 "[ . 1 . 2]" 1 2202 1 78 LEU H 1 78 LEU HG . . 3.370 2.682 2.586 2.756 . 0 0 "[ . 1 . 2]" 1 2203 1 78 LEU H 1 79 LYS H . . 3.560 2.582 2.516 2.656 . 0 0 "[ . 1 . 2]" 1 2204 1 78 LEU H 1 80 MET H . . 5.190 4.071 3.897 4.129 . 0 0 "[ . 1 . 2]" 1 2205 1 78 LEU H 1 88 LEU MD1 . . 5.500 5.474 5.411 5.516 0.016 20 0 "[ . 1 . 2]" 1 2206 1 78 LEU H 1 88 LEU MD2 . . 5.500 3.900 3.741 4.107 . 0 0 "[ . 1 . 2]" 1 2207 1 78 LEU HA 1 78 LEU MD1 . . 4.260 3.836 3.830 3.839 . 0 0 "[ . 1 . 2]" 1 2208 1 78 LEU HA 1 78 LEU MD2 . . 3.060 2.169 1.972 2.227 . 0 0 "[ . 1 . 2]" 1 2209 1 78 LEU HA 1 78 LEU HG . . 3.740 2.775 2.688 2.903 . 0 0 "[ . 1 . 2]" 1 2210 1 78 LEU HA 1 81 ALA H . . 3.840 3.247 3.032 3.411 . 0 0 "[ . 1 . 2]" 1 2211 1 78 LEU HA 1 81 ALA MB . . 3.170 2.493 2.357 2.662 . 0 0 "[ . 1 . 2]" 1 2212 1 78 LEU HA 1 82 VAL H . . 4.860 4.484 4.322 4.660 . 0 0 "[ . 1 . 2]" 1 2213 1 78 LEU HA 1 82 VAL MG2 . . 4.920 4.316 4.194 4.595 . 0 0 "[ . 1 . 2]" 1 2214 1 78 LEU HA 1 88 LEU MD2 . . 3.760 3.292 2.966 3.585 . 0 0 "[ . 1 . 2]" 1 2215 1 78 LEU HB2 1 78 LEU MD1 . . 3.350 2.297 2.140 2.376 . 0 0 "[ . 1 . 2]" 1 2216 1 78 LEU HB2 1 78 LEU HG . . 3.000 2.524 2.478 2.563 . 0 0 "[ . 1 . 2]" 1 2217 1 78 LEU HB2 1 79 LYS H . . 4.030 2.970 2.890 3.034 . 0 0 "[ . 1 . 2]" 1 2218 1 78 LEU HB3 1 78 LEU MD1 . . 3.360 2.405 2.325 2.511 . 0 0 "[ . 1 . 2]" 1 2219 1 78 LEU HB3 1 78 LEU MD2 . . 3.490 2.261 2.225 2.367 . 0 0 "[ . 1 . 2]" 1 2220 1 78 LEU HB3 1 78 LEU HG . . 2.950 3.028 3.022 3.032 0.082 20 0 "[ . 1 . 2]" 1 2221 1 78 LEU HB3 1 79 LYS H . . 4.180 3.674 3.581 3.766 . 0 0 "[ . 1 . 2]" 1 2222 1 78 LEU MD1 1 79 LYS H . . 5.500 4.791 4.699 4.872 . 0 0 "[ . 1 . 2]" 1 2223 1 78 LEU MD2 1 79 LYS H . . 5.270 4.840 4.777 4.885 . 0 0 "[ . 1 . 2]" 1 2224 1 78 LEU MD2 1 79 LYS HA . . 5.500 5.525 5.509 5.558 0.058 20 0 "[ . 1 . 2]" 1 2225 1 78 LEU MD2 1 81 ALA H . . 5.330 4.725 4.525 4.906 . 0 0 "[ . 1 . 2]" 1 2226 1 78 LEU MD2 1 81 ALA MB . . 3.790 3.093 2.927 3.274 . 0 0 "[ . 1 . 2]" 1 2227 1 78 LEU HG 1 79 LYS H . . 4.810 4.765 4.717 4.801 . 0 0 "[ . 1 . 2]" 1 2228 1 79 LYS H 1 79 LYS HB2 . . 3.150 2.331 2.269 2.612 . 0 0 "[ . 1 . 2]" 1 2229 1 79 LYS H 1 79 LYS HB3 . . 3.610 3.520 3.506 3.551 . 0 0 "[ . 1 . 2]" 1 2230 1 79 LYS H 1 79 LYS HD2 . . 4.370 3.042 2.771 4.400 0.030 18 0 "[ . 1 . 2]" 1 2231 1 79 LYS H 1 79 LYS HD3 . . 4.580 3.906 3.795 4.433 . 0 0 "[ . 1 . 2]" 1 2232 1 79 LYS H 1 79 LYS HE2 . . 5.250 5.180 4.693 5.255 0.005 13 0 "[ . 1 . 2]" 1 2233 1 79 LYS H 1 79 LYS HE3 . . 5.500 4.800 4.590 5.517 0.017 12 0 "[ . 1 . 2]" 1 2234 1 79 LYS H 1 79 LYS HG2 . . 3.950 3.848 2.854 4.014 0.064 4 0 "[ . 1 . 2]" 1 2235 1 79 LYS H 1 79 LYS HG3 . . 3.330 2.614 1.940 2.770 . 0 0 "[ . 1 . 2]" 1 2236 1 79 LYS H 1 80 MET HB2 . . 4.900 4.577 4.383 4.819 . 0 0 "[ . 1 . 2]" 1 2237 1 79 LYS H 1 80 MET HB3 . . 5.280 5.062 4.882 5.296 0.016 11 0 "[ . 1 . 2]" 1 2238 1 79 LYS H 1 81 ALA H . . 5.030 4.062 3.940 4.171 . 0 0 "[ . 1 . 2]" 1 2239 1 79 LYS HA 1 79 LYS HD2 . . 5.130 4.321 4.168 4.909 . 0 0 "[ . 1 . 2]" 1 2240 1 79 LYS HA 1 79 LYS HD3 . . 4.740 4.507 4.241 4.713 . 0 0 "[ . 1 . 2]" 1 2241 1 79 LYS HA 1 79 LYS HG2 . . 3.460 2.885 2.515 2.980 . 0 0 "[ . 1 . 2]" 1 2242 1 79 LYS HA 1 79 LYS HG3 . . 3.620 2.444 2.268 3.317 . 0 0 "[ . 1 . 2]" 1 2243 1 79 LYS HA 1 81 ALA H . . 4.930 4.469 4.284 4.621 . 0 0 "[ . 1 . 2]" 1 2244 1 79 LYS HA 1 82 VAL H . . 4.100 3.649 3.554 3.734 . 0 0 "[ . 1 . 2]" 1 2245 1 79 LYS HA 1 82 VAL HB . . 4.150 3.496 3.441 3.549 . 0 0 "[ . 1 . 2]" 1 2246 1 79 LYS HA 1 82 VAL MG1 . . 4.570 4.562 4.511 4.591 0.021 2 0 "[ . 1 . 2]" 1 2247 1 79 LYS HA 1 82 VAL MG2 . . 3.590 2.772 2.512 2.941 . 0 0 "[ . 1 . 2]" 1 2248 1 79 LYS HA 1 83 LYS H . . 5.110 5.071 4.943 5.126 0.016 7 0 "[ . 1 . 2]" 1 2249 1 79 LYS HB2 1 79 LYS HD2 . . 3.740 2.688 2.519 3.740 0.000 18 0 "[ . 1 . 2]" 1 2250 1 79 LYS HB2 1 79 LYS HD3 . . 3.620 2.389 2.285 2.675 . 0 0 "[ . 1 . 2]" 1 2251 1 79 LYS HB2 1 79 LYS HE2 . . 4.910 4.310 3.075 4.503 . 0 0 "[ . 1 . 2]" 1 2252 1 79 LYS HB2 1 79 LYS HE3 . . 5.320 4.516 3.164 4.984 . 0 0 "[ . 1 . 2]" 1 2253 1 79 LYS HB2 1 79 LYS HG3 . . 2.930 2.765 2.431 2.831 . 0 0 "[ . 1 . 2]" 1 2254 1 79 LYS HB2 1 80 MET H . . 3.840 2.873 2.813 3.105 . 0 0 "[ . 1 . 2]" 1 2255 1 79 LYS HB2 1 81 ALA H . . 5.500 5.200 5.074 5.338 . 0 0 "[ . 1 . 2]" 1 2256 1 79 LYS HB3 1 79 LYS HD2 . . 3.570 3.691 3.482 3.751 0.181 6 0 "[ . 1 . 2]" 1 2257 1 79 LYS HB3 1 79 LYS HD3 . . 3.290 2.934 2.248 3.219 . 0 0 "[ . 1 . 2]" 1 2258 1 79 LYS HB3 1 79 LYS HE2 . . 4.840 4.136 2.717 4.327 . 0 0 "[ . 1 . 2]" 1 2259 1 79 LYS HB3 1 79 LYS HE3 . . 4.980 4.815 1.974 5.039 0.059 17 0 "[ . 1 . 2]" 1 2260 1 79 LYS HB3 1 79 LYS HG3 . . 2.900 2.961 2.935 3.056 0.156 18 0 "[ . 1 . 2]" 1 2261 1 79 LYS HB3 1 80 MET H . . 4.280 3.740 3.614 4.141 . 0 0 "[ . 1 . 2]" 1 2262 1 79 LYS HE2 1 79 LYS HG2 . . 4.200 2.292 1.990 3.664 . 0 0 "[ . 1 . 2]" 1 2263 1 79 LYS HE2 1 79 LYS HG3 . . 3.580 3.034 2.921 4.021 0.441 18 0 "[ . 1 . 2]" 1 2264 1 79 LYS HG2 1 80 MET H . . 5.310 5.286 4.869 5.377 0.067 2 0 "[ . 1 . 2]" 1 2265 1 79 LYS HG3 1 80 MET H . . 4.840 4.618 4.086 4.728 . 0 0 "[ . 1 . 2]" 1 2266 1 80 MET H 1 80 MET HB2 . . 3.250 2.213 2.071 2.375 . 0 0 "[ . 1 . 2]" 1 2267 1 80 MET H 1 80 MET HB3 . . 3.280 2.710 2.512 2.924 . 0 0 "[ . 1 . 2]" 1 2268 1 80 MET H 1 80 MET ME . . 4.950 4.745 4.559 4.897 . 0 0 "[ . 1 . 2]" 1 2269 1 80 MET H 1 80 MET HG2 . . 4.690 4.413 4.390 4.442 . 0 0 "[ . 1 . 2]" 1 2270 1 80 MET H 1 80 MET HG3 . . 4.740 4.209 3.966 4.386 . 0 0 "[ . 1 . 2]" 1 2271 1 80 MET H 1 81 ALA H . . 3.360 2.587 2.398 2.696 . 0 0 "[ . 1 . 2]" 1 2272 1 80 MET H 1 81 ALA MB . . 4.810 4.143 4.008 4.233 . 0 0 "[ . 1 . 2]" 1 2273 1 80 MET H 1 82 VAL H . . 4.700 4.158 3.953 4.244 . 0 0 "[ . 1 . 2]" 1 2274 1 80 MET H 1 82 VAL MG2 . . 5.500 4.840 4.707 4.990 . 0 0 "[ . 1 . 2]" 1 2275 1 80 MET H 1 88 LEU MD1 . . 4.860 4.601 4.458 4.724 . 0 0 "[ . 1 . 2]" 1 2276 1 80 MET H 1 88 LEU MD2 . . 5.450 4.656 4.540 4.874 . 0 0 "[ . 1 . 2]" 1 2277 1 80 MET HA 1 80 MET HB2 . . 2.900 2.659 2.560 2.773 . 0 0 "[ . 1 . 2]" 1 2278 1 80 MET HA 1 80 MET HG2 . . 3.850 2.621 2.471 2.779 . 0 0 "[ . 1 . 2]" 1 2279 1 80 MET HA 1 80 MET HG3 . . 3.540 2.650 2.541 2.735 . 0 0 "[ . 1 . 2]" 1 2280 1 80 MET HA 1 82 VAL H . . 4.830 4.105 3.941 4.229 . 0 0 "[ . 1 . 2]" 1 2281 1 80 MET HA 1 83 LYS H . . 3.570 3.151 3.031 3.223 . 0 0 "[ . 1 . 2]" 1 2282 1 80 MET HA 1 83 LYS QB . . 3.510 3.002 2.881 3.105 . 0 0 "[ . 1 . 2]" 1 2283 1 80 MET HA 1 83 LYS QD . . 4.160 3.900 2.352 4.156 . 0 0 "[ . 1 . 2]" 1 2284 1 80 MET HA 1 83 LYS QE . . 4.320 2.711 2.296 4.294 . 0 0 "[ . 1 . 2]" 1 2285 1 80 MET HA 1 83 LYS HG2 . . 4.760 4.167 3.783 4.335 . 0 0 "[ . 1 . 2]" 1 2286 1 80 MET HA 1 83 LYS HG3 . . 4.540 2.441 2.166 2.613 . 0 0 "[ . 1 . 2]" 1 2287 1 80 MET HB2 1 81 ALA H . . 3.910 3.664 3.466 3.905 . 0 0 "[ . 1 . 2]" 1 2288 1 80 MET HB2 1 88 LEU MD1 . . 5.500 4.249 4.055 4.406 . 0 0 "[ . 1 . 2]" 1 2289 1 80 MET HB3 1 80 MET HG2 . . 3.020 2.629 2.582 2.647 . 0 0 "[ . 1 . 2]" 1 2290 1 80 MET HB3 1 81 ALA H . . 3.680 2.649 2.508 2.808 . 0 0 "[ . 1 . 2]" 1 2291 1 80 MET HB3 1 81 ALA HA . . 4.360 3.914 3.814 4.103 . 0 0 "[ . 1 . 2]" 1 2292 1 80 MET HB3 1 88 LEU MD1 . . 3.770 2.874 2.774 3.003 . 0 0 "[ . 1 . 2]" 1 2293 1 80 MET HB3 1 88 LEU MD2 . . 4.220 3.904 3.777 4.057 . 0 0 "[ . 1 . 2]" 1 2294 1 80 MET ME 1 80 MET HG2 . . 3.220 2.212 2.057 2.291 . 0 0 "[ . 1 . 2]" 1 2295 1 80 MET ME 1 81 ALA H . . 4.660 3.984 3.643 4.248 . 0 0 "[ . 1 . 2]" 1 2296 1 80 MET ME 1 83 LYS QE . . 5.500 5.105 4.360 5.490 . 0 0 "[ . 1 . 2]" 1 2297 1 80 MET ME 1 84 GLN HE21 . . 4.980 1.955 1.817 2.359 . 0 0 "[ . 1 . 2]" 1 2298 1 80 MET ME 1 84 GLN HE22 . . 4.370 2.364 2.246 2.667 . 0 0 "[ . 1 . 2]" 1 2299 1 80 MET ME 1 88 LEU HB2 . . 5.070 4.706 4.464 5.068 . 0 0 "[ . 1 . 2]" 1 2300 1 80 MET ME 1 88 LEU MD1 . . 3.390 2.044 1.820 2.292 . 0 0 "[ . 1 . 2]" 1 2301 1 80 MET ME 1 88 LEU MD2 . . 4.190 3.889 3.664 4.111 . 0 0 "[ . 1 . 2]" 1 2302 1 80 MET ME 1 89 GLN H . . 5.450 4.224 3.708 4.732 . 0 0 "[ . 1 . 2]" 1 2303 1 80 MET HG2 1 81 ALA H . . 4.760 4.371 4.160 4.693 . 0 0 "[ . 1 . 2]" 1 2304 1 80 MET HG2 1 88 LEU MD1 . . 4.590 4.242 3.902 4.580 . 0 0 "[ . 1 . 2]" 1 2305 1 80 MET HG3 1 81 ALA H . . 5.390 5.126 5.048 5.219 . 0 0 "[ . 1 . 2]" 1 2306 1 80 MET HG3 1 88 LEU MD1 . . 5.260 5.075 4.880 5.259 . 0 0 "[ . 1 . 2]" 1 2307 1 81 ALA H 1 81 ALA MB . . 3.160 2.070 1.970 2.160 . 0 0 "[ . 1 . 2]" 1 2308 1 81 ALA H 1 82 VAL H . . 3.630 2.807 2.736 2.888 . 0 0 "[ . 1 . 2]" 1 2309 1 81 ALA H 1 82 VAL HA . . 5.500 5.320 5.262 5.384 . 0 0 "[ . 1 . 2]" 1 2310 1 81 ALA H 1 82 VAL MG2 . . 5.040 4.068 3.940 4.174 . 0 0 "[ . 1 . 2]" 1 2311 1 81 ALA H 1 83 LYS H . . 4.850 4.260 4.157 4.329 . 0 0 "[ . 1 . 2]" 1 2312 1 81 ALA H 1 88 LEU MD1 . . 4.290 3.095 2.947 3.305 . 0 0 "[ . 1 . 2]" 1 2313 1 81 ALA H 1 88 LEU MD2 . . 4.480 3.560 3.444 3.751 . 0 0 "[ . 1 . 2]" 1 2314 1 81 ALA HA 1 83 LYS H . . 4.350 4.291 4.116 4.345 . 0 0 "[ . 1 . 2]" 1 2315 1 81 ALA HA 1 84 GLN H . . 4.210 3.268 3.202 3.387 . 0 0 "[ . 1 . 2]" 1 2316 1 81 ALA HA 1 84 GLN HB2 . . 3.810 3.080 2.941 3.320 . 0 0 "[ . 1 . 2]" 1 2317 1 81 ALA HA 1 84 GLN HB3 . . 4.750 4.428 4.314 4.620 . 0 0 "[ . 1 . 2]" 1 2318 1 81 ALA HA 1 84 GLN HE21 . . 4.070 3.017 2.772 3.240 . 0 0 "[ . 1 . 2]" 1 2319 1 81 ALA HA 1 84 GLN HG2 . . 3.950 3.613 3.533 3.805 . 0 0 "[ . 1 . 2]" 1 2320 1 81 ALA HA 1 84 GLN HG3 . . 4.120 2.013 1.991 2.184 . 0 0 "[ . 1 . 2]" 1 2321 1 81 ALA HA 1 86 ASN H . . 4.590 4.511 4.388 4.599 0.009 8 0 "[ . 1 . 2]" 1 2322 1 81 ALA HA 1 87 GLN H . . 4.050 3.457 3.312 3.611 . 0 0 "[ . 1 . 2]" 1 2323 1 81 ALA HA 1 88 LEU HA . . 5.210 3.559 3.470 3.726 . 0 0 "[ . 1 . 2]" 1 2324 1 81 ALA HA 1 88 LEU HB2 . . 4.970 3.389 3.308 3.444 . 0 0 "[ . 1 . 2]" 1 2325 1 81 ALA HA 1 88 LEU HB3 . . 5.500 5.074 5.002 5.139 . 0 0 "[ . 1 . 2]" 1 2326 1 81 ALA HA 1 88 LEU MD1 . . 3.900 2.704 2.613 2.785 . 0 0 "[ . 1 . 2]" 1 2327 1 81 ALA HA 1 88 LEU MD2 . . 4.340 4.339 4.296 4.359 0.019 11 0 "[ . 1 . 2]" 1 2328 1 81 ALA HA 1 88 LEU HG . . 5.500 5.423 5.332 5.515 0.015 10 0 "[ . 1 . 2]" 1 2329 1 81 ALA MB 1 82 VAL H . . 3.450 2.625 2.548 2.754 . 0 0 "[ . 1 . 2]" 1 2330 1 81 ALA MB 1 82 VAL HA . . 4.670 3.784 3.728 3.844 . 0 0 "[ . 1 . 2]" 1 2331 1 81 ALA MB 1 82 VAL HB . . 5.100 4.669 4.608 4.725 . 0 0 "[ . 1 . 2]" 1 2332 1 81 ALA MB 1 82 VAL MG2 . . 3.260 3.044 2.919 3.125 . 0 0 "[ . 1 . 2]" 1 2333 1 81 ALA MB 1 83 LYS H . . 5.380 4.552 4.419 4.617 . 0 0 "[ . 1 . 2]" 1 2334 1 81 ALA MB 1 84 GLN H . . 5.160 4.524 4.462 4.630 . 0 0 "[ . 1 . 2]" 1 2335 1 81 ALA MB 1 86 ASN H . . 4.900 3.954 3.851 4.040 . 0 0 "[ . 1 . 2]" 1 2336 1 81 ALA MB 1 86 ASN HA . . 3.660 3.420 3.253 3.544 . 0 0 "[ . 1 . 2]" 1 2337 1 81 ALA MB 1 87 GLN H . . 3.800 2.843 2.739 2.990 . 0 0 "[ . 1 . 2]" 1 2338 1 81 ALA MB 1 87 GLN HA . . 4.480 3.243 3.093 3.402 . 0 0 "[ . 1 . 2]" 1 2339 1 81 ALA MB 1 88 LEU HA . . 5.010 3.350 3.266 3.555 . 0 0 "[ . 1 . 2]" 1 2340 1 81 ALA MB 1 88 LEU HB3 . . 3.670 3.333 3.242 3.403 . 0 0 "[ . 1 . 2]" 1 2341 1 81 ALA MB 1 89 GLN H . . 5.500 5.159 5.074 5.299 . 0 0 "[ . 1 . 2]" 1 2342 1 82 VAL H 1 82 VAL HB . . 3.120 2.419 2.396 2.490 . 0 0 "[ . 1 . 2]" 1 2343 1 82 VAL H 1 82 VAL MG1 . . 3.650 3.698 3.696 3.701 0.051 11 0 "[ . 1 . 2]" 1 2344 1 82 VAL H 1 82 VAL MG2 . . 3.110 1.957 1.920 2.147 . 0 0 "[ . 1 . 2]" 1 2345 1 82 VAL H 1 83 LYS H . . 3.280 2.741 2.608 2.796 . 0 0 "[ . 1 . 2]" 1 2346 1 82 VAL H 1 83 LYS HG3 . . 5.380 4.445 3.925 4.583 . 0 0 "[ . 1 . 2]" 1 2347 1 82 VAL H 1 86 ASN HA . . 4.920 4.325 4.180 4.435 . 0 0 "[ . 1 . 2]" 1 2348 1 82 VAL H 1 88 LEU MD1 . . 5.500 5.223 5.143 5.355 . 0 0 "[ . 1 . 2]" 1 2349 1 82 VAL HA 1 82 VAL MG1 . . 3.190 2.485 2.450 2.505 . 0 0 "[ . 1 . 2]" 1 2350 1 82 VAL HA 1 82 VAL MG2 . . 3.000 2.412 2.383 2.448 . 0 0 "[ . 1 . 2]" 1 2351 1 82 VAL HA 1 84 GLN H . . 4.600 4.526 4.456 4.585 . 0 0 "[ . 1 . 2]" 1 2352 1 82 VAL HA 1 85 GLY H . . 5.500 3.723 3.629 3.857 . 0 0 "[ . 1 . 2]" 1 2353 1 82 VAL HA 1 86 ASN H . . 3.570 2.294 2.200 2.426 . 0 0 "[ . 1 . 2]" 1 2354 1 82 VAL HA 1 86 ASN HB2 . . 5.500 5.188 5.014 5.306 . 0 0 "[ . 1 . 2]" 1 2355 1 82 VAL HA 1 86 ASN HB3 . . 5.390 4.711 4.399 4.865 . 0 0 "[ . 1 . 2]" 1 2356 1 82 VAL HA 1 86 ASN HD22 . . 5.500 4.245 3.835 4.516 . 0 0 "[ . 1 . 2]" 1 2357 1 82 VAL HA 1 87 GLN H . . 4.860 4.204 4.110 4.394 . 0 0 "[ . 1 . 2]" 1 2358 1 82 VAL HB 1 83 LYS H . . 3.530 2.665 2.626 2.788 . 0 0 "[ . 1 . 2]" 1 2359 1 82 VAL HB 1 83 LYS HG2 . . 5.270 4.005 3.869 4.130 . 0 0 "[ . 1 . 2]" 1 2360 1 82 VAL HB 1 83 LYS HG3 . . 4.430 3.717 3.430 3.787 . 0 0 "[ . 1 . 2]" 1 2361 1 82 VAL MG1 1 83 LYS H . . 4.170 3.494 3.424 3.708 . 0 0 "[ . 1 . 2]" 1 2362 1 82 VAL MG1 1 83 LYS HA . . 4.480 3.504 3.435 3.738 . 0 0 "[ . 1 . 2]" 1 2363 1 82 VAL MG1 1 83 LYS HG2 . . 4.710 3.960 3.812 4.417 . 0 0 "[ . 1 . 2]" 1 2364 1 82 VAL MG1 1 83 LYS HG3 . . 5.500 4.455 4.322 4.609 . 0 0 "[ . 1 . 2]" 1 2365 1 82 VAL MG1 1 84 GLN H . . 5.500 5.139 5.086 5.205 . 0 0 "[ . 1 . 2]" 1 2366 1 82 VAL MG1 1 86 ASN H . . 5.500 4.085 4.000 4.227 . 0 0 "[ . 1 . 2]" 1 2367 1 82 VAL MG1 1 86 ASN HA . . 5.220 4.271 4.075 4.447 . 0 0 "[ . 1 . 2]" 1 2368 1 82 VAL MG1 1 86 ASN HD22 . . 5.150 3.580 3.243 3.824 . 0 0 "[ . 1 . 2]" 1 2369 1 82 VAL MG2 1 83 LYS H . . 3.890 3.890 3.861 3.910 0.020 19 0 "[ . 1 . 2]" 1 2370 1 82 VAL MG2 1 83 LYS HG2 . . 5.500 5.407 5.298 5.499 . 0 0 "[ . 1 . 2]" 1 2371 1 82 VAL MG2 1 83 LYS HG3 . . 5.410 5.034 4.702 5.105 . 0 0 "[ . 1 . 2]" 1 2372 1 82 VAL MG2 1 84 GLN H . . 5.500 5.458 5.418 5.500 . 0 0 "[ . 1 . 2]" 1 2373 1 82 VAL MG2 1 86 ASN H . . 5.500 4.162 4.063 4.255 . 0 0 "[ . 1 . 2]" 1 2374 1 82 VAL MG2 1 86 ASN HA . . 4.720 3.450 3.201 3.608 . 0 0 "[ . 1 . 2]" 1 2375 1 83 LYS H 1 83 LYS QB . . 3.130 2.408 2.364 2.499 . 0 0 "[ . 1 . 2]" 1 2376 1 83 LYS H 1 83 LYS QD . . 4.450 4.153 3.716 4.243 . 0 0 "[ . 1 . 2]" 1 2377 1 83 LYS H 1 83 LYS QE . . 5.350 4.109 3.909 4.772 . 0 0 "[ . 1 . 2]" 1 2378 1 83 LYS H 1 83 LYS HG2 . . 4.220 2.922 2.791 3.033 . 0 0 "[ . 1 . 2]" 1 2379 1 83 LYS H 1 83 LYS HG3 . . 3.410 2.296 1.946 2.397 . 0 0 "[ . 1 . 2]" 1 2380 1 83 LYS H 1 84 GLN H . . 3.190 2.765 2.724 2.820 . 0 0 "[ . 1 . 2]" 1 2381 1 83 LYS H 1 84 GLN HG2 . . 4.870 4.389 4.321 4.471 . 0 0 "[ . 1 . 2]" 1 2382 1 83 LYS H 1 84 GLN HG3 . . 4.690 4.473 4.271 4.576 . 0 0 "[ . 1 . 2]" 1 2383 1 83 LYS H 1 85 GLY H . . 5.390 4.630 4.495 4.806 . 0 0 "[ . 1 . 2]" 1 2384 1 83 LYS HA 1 83 LYS QD . . 4.560 3.672 3.588 4.216 . 0 0 "[ . 1 . 2]" 1 2385 1 83 LYS HA 1 83 LYS QE . . 4.910 4.670 3.565 4.851 . 0 0 "[ . 1 . 2]" 1 2386 1 83 LYS HA 1 83 LYS HG2 . . 3.610 2.299 2.245 2.476 . 0 0 "[ . 1 . 2]" 1 2387 1 83 LYS HA 1 83 LYS HG3 . . 3.980 3.318 3.178 3.382 . 0 0 "[ . 1 . 2]" 1 2388 1 83 LYS HA 1 85 GLY H . . 5.310 5.097 4.922 5.277 . 0 0 "[ . 1 . 2]" 1 2389 1 83 LYS HA 1 86 ASN H . . 5.500 5.446 5.339 5.510 0.010 17 0 "[ . 1 . 2]" 1 2390 1 83 LYS QB 1 83 LYS QD . . 3.210 2.068 2.004 2.359 . 0 0 "[ . 1 . 2]" 1 2391 1 83 LYS QB 1 83 LYS QE . . 3.730 2.872 1.965 3.115 . 0 0 "[ . 1 . 2]" 1 2392 1 83 LYS QB 1 84 GLN H . . 3.750 2.554 2.517 2.592 . 0 0 "[ . 1 . 2]" 1 2393 1 83 LYS QB 1 84 GLN HG2 . . 4.250 3.113 3.013 3.178 . 0 0 "[ . 1 . 2]" 1 2394 1 83 LYS QB 1 84 GLN HG3 . . 4.150 4.028 3.878 4.139 . 0 0 "[ . 1 . 2]" 1 2395 1 83 LYS QB 1 85 GLY H . . 5.500 5.111 5.000 5.214 . 0 0 "[ . 1 . 2]" 1 2396 1 83 LYS QD 1 84 GLN H . . 5.500 5.074 4.821 5.340 . 0 0 "[ . 1 . 2]" 1 2397 1 83 LYS QE 1 83 LYS HG2 . . 3.850 3.065 2.408 3.368 . 0 0 "[ . 1 . 2]" 1 2398 1 83 LYS QE 1 83 LYS HG3 . . 3.820 2.189 1.952 3.561 . 0 0 "[ . 1 . 2]" 1 2399 1 83 LYS QE 1 84 GLN H . . 5.500 5.388 4.689 5.502 0.002 14 0 "[ . 1 . 2]" 1 2400 1 83 LYS HG2 1 84 GLN H . . 5.500 4.827 4.776 4.908 . 0 0 "[ . 1 . 2]" 1 2401 1 83 LYS HG3 1 84 GLN H . . 5.120 4.363 4.148 4.448 . 0 0 "[ . 1 . 2]" 1 2402 1 84 GLN H 1 84 GLN HB2 . . 3.430 2.734 2.698 2.759 . 0 0 "[ . 1 . 2]" 1 2403 1 84 GLN H 1 84 GLN HB3 . . 3.920 3.526 3.521 3.533 . 0 0 "[ . 1 . 2]" 1 2404 1 84 GLN H 1 84 GLN HG2 . . 3.480 2.010 1.948 2.104 . 0 0 "[ . 1 . 2]" 1 2405 1 84 GLN H 1 84 GLN HG3 . . 3.420 2.386 2.231 2.492 . 0 0 "[ . 1 . 2]" 1 2406 1 84 GLN H 1 85 GLY H . . 4.120 2.985 2.923 3.082 . 0 0 "[ . 1 . 2]" 1 2407 1 84 GLN H 1 85 GLY HA2 . . 5.500 5.054 5.021 5.100 . 0 0 "[ . 1 . 2]" 1 2408 1 84 GLN H 1 85 GLY HA3 . . 5.500 5.452 5.411 5.514 0.014 13 0 "[ . 1 . 2]" 1 2409 1 84 GLN H 1 86 ASN H . . 4.200 4.176 4.055 4.207 0.007 5 0 "[ . 1 . 2]" 1 2410 1 84 GLN HB2 1 85 GLY H . . 5.500 2.127 1.996 2.241 . 0 0 "[ . 1 . 2]" 1 2411 1 84 GLN HB2 1 86 ASN H . . 5.320 3.811 3.724 3.909 . 0 0 "[ . 1 . 2]" 1 2412 1 84 GLN HB2 1 87 GLN H . . 4.850 2.906 2.851 2.992 . 0 0 "[ . 1 . 2]" 1 2413 1 84 GLN HB2 1 87 GLN HE21 . . 5.500 3.072 2.263 3.825 . 0 0 "[ . 1 . 2]" 1 2414 1 84 GLN HB3 1 84 GLN HE22 . . 5.500 4.220 4.051 4.331 . 0 0 "[ . 1 . 2]" 1 2415 1 84 GLN HB3 1 84 GLN HG2 . . 2.970 2.836 2.780 2.871 . 0 0 "[ . 1 . 2]" 1 2416 1 84 GLN HB3 1 85 GLY H . . 5.500 3.479 3.375 3.598 . 0 0 "[ . 1 . 2]" 1 2417 1 84 GLN HB3 1 87 GLN HE21 . . 5.270 2.502 2.136 3.147 . 0 0 "[ . 1 . 2]" 1 2418 1 84 GLN HE21 1 88 LEU HA . . 4.140 2.927 2.492 3.364 . 0 0 "[ . 1 . 2]" 1 2419 1 84 GLN HE21 1 88 LEU MD1 . . 4.970 2.025 1.933 2.178 . 0 0 "[ . 1 . 2]" 1 2420 1 84 GLN HE21 1 88 LEU MD2 . . 5.050 4.598 4.479 4.688 . 0 0 "[ . 1 . 2]" 1 2421 1 84 GLN HE21 1 89 GLN H . . 5.500 3.645 3.369 4.100 . 0 0 "[ . 1 . 2]" 1 2422 1 84 GLN HE22 1 88 LEU HA . . 4.670 3.619 3.322 3.905 . 0 0 "[ . 1 . 2]" 1 2423 1 84 GLN HE22 1 88 LEU MD1 . . 4.980 2.694 2.500 2.788 . 0 0 "[ . 1 . 2]" 1 2424 1 84 GLN HE22 1 88 LEU MD2 . . 5.500 5.464 5.317 5.508 0.008 4 0 "[ . 1 . 2]" 1 2425 1 84 GLN HE22 1 89 GLN H . . 5.500 3.299 3.030 3.667 . 0 0 "[ . 1 . 2]" 1 2426 1 84 GLN HE22 1 89 GLN QB . . 5.500 3.666 3.285 4.106 . 0 0 "[ . 1 . 2]" 1 2427 1 84 GLN HG2 1 85 GLY H . . 5.500 4.279 4.239 4.328 . 0 0 "[ . 1 . 2]" 1 2428 1 84 GLN HG2 1 87 GLN H . . 5.500 5.505 5.493 5.518 0.018 13 0 "[ . 1 . 2]" 1 2429 1 84 GLN HG3 1 86 ASN H . . 5.500 5.152 4.982 5.266 . 0 0 "[ . 1 . 2]" 1 2430 1 84 GLN HG3 1 87 GLN H . . 4.800 4.288 4.170 4.353 . 0 0 "[ . 1 . 2]" 1 2431 1 84 GLN HG3 1 87 GLN HE21 . . 5.500 4.542 3.115 5.438 . 0 0 "[ . 1 . 2]" 1 2432 1 85 GLY H 1 86 ASN H . . 3.880 1.928 1.893 1.981 . 0 0 "[ . 1 . 2]" 1 2433 1 85 GLY H 1 87 GLN H . . 5.500 2.495 2.414 2.562 . 0 0 "[ . 1 . 2]" 1 2434 1 85 GLY HA2 1 87 GLN H . . 5.390 4.515 4.456 4.574 . 0 0 "[ . 1 . 2]" 1 2435 1 85 GLY HA2 1 87 GLN HG2 . . 5.500 5.450 5.281 5.506 0.006 10 0 "[ . 1 . 2]" 1 2436 1 85 GLY HA2 1 87 GLN HG3 . . 5.500 4.822 4.669 4.983 . 0 0 "[ . 1 . 2]" 1 2437 1 85 GLY HA3 1 87 GLN H . . 4.790 4.242 4.168 4.340 . 0 0 "[ . 1 . 2]" 1 2438 1 85 GLY HA3 1 87 GLN HE21 . . 5.500 4.824 4.458 5.496 . 0 0 "[ . 1 . 2]" 1 2439 1 85 GLY HA3 1 87 GLN HG2 . . 5.130 3.973 3.790 4.055 . 0 0 "[ . 1 . 2]" 1 2440 1 85 GLY HA3 1 87 GLN HG3 . . 5.120 3.742 3.554 3.898 . 0 0 "[ . 1 . 2]" 1 2441 1 86 ASN H 1 86 ASN HD22 . . 5.500 4.551 4.268 4.729 . 0 0 "[ . 1 . 2]" 1 2442 1 86 ASN H 1 87 GLN H . . 3.400 2.515 2.482 2.557 . 0 0 "[ . 1 . 2]" 1 2443 1 86 ASN H 1 87 GLN HA . . 5.500 5.087 5.061 5.120 . 0 0 "[ . 1 . 2]" 1 2444 1 86 ASN H 1 87 GLN HG3 . . 5.500 4.121 4.043 4.228 . 0 0 "[ . 1 . 2]" 1 2445 1 86 ASN HA 1 87 GLN H . . 3.390 2.968 2.944 3.004 . 0 0 "[ . 1 . 2]" 1 2446 1 86 ASN HA 1 87 GLN HA . . 5.500 4.381 4.374 4.394 . 0 0 "[ . 1 . 2]" 1 2447 1 86 ASN HB2 1 86 ASN HD21 . . 3.590 3.463 3.404 3.536 . 0 0 "[ . 1 . 2]" 1 2448 1 86 ASN HB2 1 87 GLN H . . 5.260 4.140 4.099 4.167 . 0 0 "[ . 1 . 2]" 1 2449 1 86 ASN HB3 1 87 GLN H . . 5.050 4.589 4.575 4.622 . 0 0 "[ . 1 . 2]" 1 2450 1 86 ASN HB3 1 87 GLN HA . . 5.500 4.968 4.928 5.051 . 0 0 "[ . 1 . 2]" 1 2451 1 87 GLN H 1 87 GLN QB . . 3.750 3.137 3.106 3.156 . 0 0 "[ . 1 . 2]" 1 2452 1 87 GLN H 1 87 GLN HG2 . . 4.240 3.737 3.623 3.807 . 0 0 "[ . 1 . 2]" 1 2453 1 87 GLN H 1 87 GLN HG3 . . 3.750 2.280 2.229 2.336 . 0 0 "[ . 1 . 2]" 1 2454 1 87 GLN H 1 88 LEU H . . 4.900 4.395 4.382 4.417 . 0 0 "[ . 1 . 2]" 1 2455 1 87 GLN H 1 88 LEU HA . . 5.500 4.699 4.687 4.732 . 0 0 "[ . 1 . 2]" 1 2456 1 87 GLN HA 1 88 LEU H . . 2.650 2.424 2.405 2.460 . 0 0 "[ . 1 . 2]" 1 2457 1 87 GLN HA 1 88 LEU HA . . 4.900 4.480 4.473 4.500 . 0 0 "[ . 1 . 2]" 1 2458 1 87 GLN HA 1 88 LEU HB2 . . 5.480 4.168 4.142 4.188 . 0 0 "[ . 1 . 2]" 1 2459 1 87 GLN HA 1 88 LEU HB3 . . 5.160 4.607 4.582 4.641 . 0 0 "[ . 1 . 2]" 1 2460 1 87 GLN QB 1 87 GLN HE22 . . 4.890 4.233 3.984 4.328 . 0 0 "[ . 1 . 2]" 1 2461 1 87 GLN QB 1 88 LEU H . . 3.290 2.630 2.555 2.676 . 0 0 "[ . 1 . 2]" 1 2462 1 87 GLN QB 1 88 LEU HB2 . . 5.100 5.112 5.076 5.134 0.034 7 0 "[ . 1 . 2]" 1 2463 1 87 GLN HG3 1 88 LEU H . . 5.250 4.389 4.249 4.492 . 0 0 "[ . 1 . 2]" 1 2464 1 88 LEU H 1 88 LEU HB2 . . 3.800 3.160 3.138 3.199 . 0 0 "[ . 1 . 2]" 1 2465 1 88 LEU H 1 88 LEU HB3 . . 3.810 2.889 2.866 2.922 . 0 0 "[ . 1 . 2]" 1 2466 1 88 LEU H 1 88 LEU MD2 . . 5.500 4.691 4.667 4.708 . 0 0 "[ . 1 . 2]" 1 2467 1 88 LEU H 1 88 LEU HG . . 4.590 4.610 4.593 4.629 0.039 11 0 "[ . 1 . 2]" 1 2468 1 88 LEU H 1 89 GLN H . . 4.360 4.290 4.248 4.322 . 0 0 "[ . 1 . 2]" 1 2469 1 88 LEU H 1 89 GLN QG . . 5.350 5.271 5.204 5.361 0.011 5 0 "[ . 1 . 2]" 1 2470 1 88 LEU HA 1 88 LEU MD1 . . 3.400 1.975 1.947 2.054 . 0 0 "[ . 1 . 2]" 1 2471 1 88 LEU HA 1 88 LEU MD2 . . 3.850 3.842 3.822 3.862 0.012 20 0 "[ . 1 . 2]" 1 2472 1 88 LEU HA 1 88 LEU HG . . 3.890 3.040 2.993 3.099 . 0 0 "[ . 1 . 2]" 1 2473 1 88 LEU HA 1 89 GLN H . . 2.760 2.232 2.209 2.252 . 0 0 "[ . 1 . 2]" 1 2474 1 88 LEU HA 1 89 GLN HA . . 5.110 4.302 4.300 4.306 . 0 0 "[ . 1 . 2]" 1 2475 1 88 LEU HA 1 89 GLN QB . . 4.210 4.040 3.982 4.140 . 0 0 "[ . 1 . 2]" 1 2476 1 88 LEU HA 1 89 GLN QG . . 4.960 4.924 4.873 4.976 0.016 7 0 "[ . 1 . 2]" 1 2477 1 88 LEU HB2 1 88 LEU MD1 . . 3.250 2.411 2.381 2.441 . 0 0 "[ . 1 . 2]" 1 2478 1 88 LEU HB2 1 88 LEU MD2 . . 3.230 2.443 2.405 2.487 . 0 0 "[ . 1 . 2]" 1 2479 1 88 LEU HB2 1 88 LEU HG . . 2.950 3.031 3.030 3.032 0.082 3 0 "[ . 1 . 2]" 1 2480 1 88 LEU HB2 1 89 GLN H . . 4.670 4.288 4.241 4.352 . 0 0 "[ . 1 . 2]" 1 2481 1 88 LEU HB2 1 90 MET HG3 . . 5.020 4.706 4.642 4.766 . 0 0 "[ . 1 . 2]" 1 2482 1 88 LEU HB3 1 88 LEU MD1 . . 3.650 3.222 3.221 3.223 . 0 0 "[ . 1 . 2]" 1 2483 1 88 LEU HB3 1 88 LEU MD2 . . 3.430 2.273 2.225 2.329 . 0 0 "[ . 1 . 2]" 1 2484 1 88 LEU HB3 1 88 LEU HG . . 2.910 2.461 2.434 2.489 . 0 0 "[ . 1 . 2]" 1 2485 1 88 LEU HB3 1 89 GLN H . . 4.320 4.062 4.011 4.110 . 0 0 "[ . 1 . 2]" 1 2486 1 88 LEU HB3 1 90 MET ME . . 4.110 4.182 4.164 4.196 0.086 14 0 "[ . 1 . 2]" 1 2487 1 88 LEU HB3 1 90 MET HG2 . . 4.460 4.254 4.176 4.381 . 0 0 "[ . 1 . 2]" 1 2488 1 88 LEU HB3 1 90 MET HG3 . . 3.950 3.160 3.096 3.250 . 0 0 "[ . 1 . 2]" 1 2489 1 88 LEU MD1 1 89 GLN H . . 3.610 2.307 2.119 2.485 . 0 0 "[ . 1 . 2]" 1 2490 1 88 LEU MD1 1 90 MET HG2 . . 4.810 4.757 4.674 4.811 0.001 11 0 "[ . 1 . 2]" 1 2491 1 88 LEU MD1 1 90 MET HG3 . . 4.920 4.272 4.193 4.362 . 0 0 "[ . 1 . 2]" 1 2492 1 88 LEU MD2 1 89 GLN H . . 4.960 4.388 4.316 4.492 . 0 0 "[ . 1 . 2]" 1 2493 1 88 LEU MD2 1 90 MET HA . . 5.450 4.895 4.758 5.020 . 0 0 "[ . 1 . 2]" 1 2494 1 88 LEU MD2 1 90 MET ME . . 3.380 2.833 2.744 2.915 . 0 0 "[ . 1 . 2]" 1 2495 1 88 LEU MD2 1 90 MET HG2 . . 3.820 3.175 3.041 3.306 . 0 0 "[ . 1 . 2]" 1 2496 1 88 LEU MD2 1 90 MET HG3 . . 4.260 3.259 3.136 3.342 . 0 0 "[ . 1 . 2]" 1 2497 1 88 LEU HG 1 89 GLN H . . 4.300 2.891 2.783 3.000 . 0 0 "[ . 1 . 2]" 1 2498 1 88 LEU HG 1 90 MET ME . . 4.410 4.243 4.148 4.334 . 0 0 "[ . 1 . 2]" 1 2499 1 88 LEU HG 1 90 MET HG2 . . 4.400 3.376 3.293 3.451 . 0 0 "[ . 1 . 2]" 1 2500 1 88 LEU HG 1 90 MET HG3 . . 4.030 2.661 2.560 2.767 . 0 0 "[ . 1 . 2]" 1 2501 1 89 GLN H 1 89 GLN QB . . 3.140 2.147 2.122 2.174 . 0 0 "[ . 1 . 2]" 1 2502 1 89 GLN H 1 89 GLN QG . . 3.610 3.611 3.560 3.632 0.022 17 0 "[ . 1 . 2]" 1 2503 1 89 GLN H 1 90 MET H . . 4.830 4.237 4.202 4.269 . 0 0 "[ . 1 . 2]" 1 2504 1 89 GLN HA 1 89 GLN QG . . 3.380 2.090 1.966 2.247 . 0 0 "[ . 1 . 2]" 1 2505 1 89 GLN HA 1 90 MET H . . 2.680 2.237 2.226 2.247 . 0 0 "[ . 1 . 2]" 1 2506 1 89 GLN HA 1 90 MET HA . . 4.570 4.378 4.372 4.383 . 0 0 "[ . 1 . 2]" 1 2507 1 89 GLN HA 1 90 MET HB2 . . 4.700 4.683 4.658 4.708 0.008 16 0 "[ . 1 . 2]" 1 2508 1 89 GLN HA 1 90 MET HG2 . . 5.440 5.487 5.470 5.512 0.072 2 0 "[ . 1 . 2]" 1 2509 1 89 GLN HA 1 90 MET HG3 . . 4.620 3.912 3.888 3.939 . 0 0 "[ . 1 . 2]" 1 2510 1 89 GLN QB 1 90 MET H . . 4.080 3.832 3.761 3.890 . 0 0 "[ . 1 . 2]" 1 2511 1 89 GLN QG 1 90 MET H . . 4.180 3.999 3.770 4.188 0.008 5 0 "[ . 1 . 2]" 1 2512 1 90 MET H 1 90 MET HB2 . . 3.630 2.474 2.460 2.492 . 0 0 "[ . 1 . 2]" 1 2513 1 90 MET H 1 90 MET HB3 . . 3.610 3.636 3.624 3.651 0.041 12 0 "[ . 1 . 2]" 1 2514 1 90 MET H 1 90 MET ME . . 5.500 5.012 4.973 5.067 . 0 0 "[ . 1 . 2]" 1 2515 1 90 MET H 1 90 MET HG2 . . 4.470 3.924 3.885 3.982 . 0 0 "[ . 1 . 2]" 1 2516 1 90 MET H 1 90 MET HG3 . . 3.780 2.589 2.537 2.666 . 0 0 "[ . 1 . 2]" 1 2517 1 90 MET H 1 91 GLN H . . 4.990 4.558 4.535 4.570 . 0 0 "[ . 1 . 2]" 1 2518 1 90 MET HA 1 90 MET ME . . 4.730 4.385 4.356 4.406 . 0 0 "[ . 1 . 2]" 1 2519 1 90 MET HA 1 90 MET HG2 . . 3.390 2.773 2.759 2.783 . 0 0 "[ . 1 . 2]" 1 2520 1 90 MET HA 1 90 MET HG3 . . 3.640 2.829 2.813 2.844 . 0 0 "[ . 1 . 2]" 1 2521 1 90 MET HA 1 91 GLN H . . 3.070 2.355 2.293 2.419 . 0 0 "[ . 1 . 2]" 1 2522 1 90 MET HA 1 91 GLN HA . . 4.010 4.396 4.376 4.422 0.412 9 0 "[ . 1 . 2]" 1 2523 1 90 MET HA 1 91 GLN QB . . 4.840 4.203 4.153 4.318 . 0 0 "[ . 1 . 2]" 1 2524 1 90 MET HA 1 91 GLN HG2 . . 5.500 5.497 5.433 5.589 0.089 14 0 "[ . 1 . 2]" 1 2525 1 90 MET HA 1 91 GLN HG3 . . 5.500 3.996 3.860 4.149 . 0 0 "[ . 1 . 2]" 1 2526 1 90 MET HB2 1 91 GLN H . . 4.230 3.909 3.772 4.058 . 0 0 "[ . 1 . 2]" 1 2527 1 90 MET HB3 1 90 MET ME . . 3.600 2.908 2.819 2.994 . 0 0 "[ . 1 . 2]" 1 2528 1 90 MET HB3 1 91 GLN H . . 3.550 2.843 2.668 3.034 . 0 0 "[ . 1 . 2]" 1 2529 1 90 MET HB3 1 91 GLN HA . . 4.880 4.463 4.411 4.502 . 0 0 "[ . 1 . 2]" 1 2530 1 90 MET ME 1 90 MET HG2 . . 3.460 2.198 2.064 2.241 . 0 0 "[ . 1 . 2]" 1 2531 1 90 MET ME 1 90 MET HG3 . . 3.780 3.197 3.172 3.227 . 0 0 "[ . 1 . 2]" 1 2532 1 90 MET ME 1 91 GLN H . . 5.500 5.089 4.929 5.261 . 0 0 "[ . 1 . 2]" 1 2533 1 90 MET HG2 1 91 GLN H . . 4.420 4.326 4.258 4.385 . 0 0 "[ . 1 . 2]" 1 2534 1 90 MET HG3 1 91 GLN H . . 4.940 4.869 4.837 4.892 . 0 0 "[ . 1 . 2]" 1 2535 1 91 GLN H 1 91 GLN QB . . 3.410 2.533 2.478 2.634 . 0 0 "[ . 1 . 2]" 1 2536 1 91 GLN H 1 91 GLN HG2 . . 4.760 4.408 4.340 4.595 . 0 0 "[ . 1 . 2]" 1 2537 1 91 GLN H 1 91 GLN HG3 . . 4.470 3.398 3.289 3.516 . 0 0 "[ . 1 . 2]" 1 2538 1 91 GLN H 1 92 VAL H . . 4.900 4.239 4.190 4.263 . 0 0 "[ . 1 . 2]" 1 2539 1 91 GLN H 1 93 HIS HD2 . . 5.500 4.493 4.212 4.786 . 0 0 "[ . 1 . 2]" 1 2540 1 91 GLN HA 1 91 GLN HG2 . . 4.280 2.563 2.397 3.267 . 0 0 "[ . 1 . 2]" 1 2541 1 91 GLN HA 1 92 VAL H . . 2.670 2.205 2.202 2.210 . 0 0 "[ . 1 . 2]" 1 2542 1 91 GLN HA 1 92 VAL HA . . 5.500 4.374 4.366 4.383 . 0 0 "[ . 1 . 2]" 1 2543 1 91 GLN HA 1 92 VAL HB . . 4.580 4.230 4.200 4.266 . 0 0 "[ . 1 . 2]" 1 2544 1 91 GLN HA 1 92 VAL MG1 . . 5.500 5.291 5.254 5.329 . 0 0 "[ . 1 . 2]" 1 2545 1 91 GLN HA 1 92 VAL MG2 . . 4.320 4.291 4.195 4.345 0.025 6 0 "[ . 1 . 2]" 1 2546 1 91 GLN QB 1 92 VAL H . . 3.890 3.414 3.321 3.483 . 0 0 "[ . 1 . 2]" 1 2547 1 91 GLN QB 1 92 VAL HA . . 5.070 4.565 4.558 4.572 . 0 0 "[ . 1 . 2]" 1 2548 1 91 GLN QB 1 93 HIS HD2 . . 4.240 3.143 2.943 3.381 . 0 0 "[ . 1 . 2]" 1 2549 1 91 GLN HG2 1 92 VAL H . . 4.280 4.268 4.077 4.947 0.667 16 2 "[ . 1 -.+ 2]" 1 2550 1 91 GLN HG3 1 92 VAL H . . 4.890 4.801 4.420 4.897 0.007 17 0 "[ . 1 . 2]" 1 2551 1 92 VAL H 1 92 VAL HB . . 3.390 2.061 2.035 2.095 . 0 0 "[ . 1 . 2]" 1 2552 1 92 VAL H 1 92 VAL MG1 . . 4.180 3.498 3.452 3.544 . 0 0 "[ . 1 . 2]" 1 2553 1 92 VAL H 1 92 VAL MG2 . . 3.550 2.853 2.757 2.918 . 0 0 "[ . 1 . 2]" 1 2554 1 92 VAL H 1 93 HIS H . . 4.970 4.625 4.614 4.638 . 0 0 "[ . 1 . 2]" 1 2555 1 92 VAL H 1 93 HIS HD2 . . 5.500 5.182 4.868 5.428 . 0 0 "[ . 1 . 2]" 1 2556 1 92 VAL HA 1 92 VAL MG1 . . 3.430 2.737 2.693 2.778 . 0 0 "[ . 1 . 2]" 1 2557 1 92 VAL HA 1 92 VAL MG2 . . 3.330 2.144 2.043 2.227 . 0 0 "[ . 1 . 2]" 1 2558 1 92 VAL HA 1 93 HIS H . . 2.820 2.253 2.236 2.285 . 0 0 "[ . 1 . 2]" 1 2559 1 92 VAL HA 1 93 HIS HB2 . . 4.850 4.308 4.171 4.472 . 0 0 "[ . 1 . 2]" 1 2560 1 92 VAL HA 1 93 HIS HD2 . . 5.220 4.354 3.941 4.742 . 0 0 "[ . 1 . 2]" 1 2561 1 92 VAL HB 1 93 HIS H . . 4.670 4.349 4.261 4.392 . 0 0 "[ . 1 . 2]" 1 2562 1 92 VAL MG1 1 93 HIS H . . 3.810 2.572 2.418 2.652 . 0 0 "[ . 1 . 2]" 1 2563 1 92 VAL MG1 1 93 HIS HA . . 4.420 3.167 3.095 3.213 . 0 0 "[ . 1 . 2]" 1 2564 1 92 VAL MG1 1 94 GLU H . . 5.500 2.973 2.792 3.140 . 0 0 "[ . 1 . 2]" 1 2565 1 92 VAL MG1 1 94 GLU HA . . 4.960 3.715 3.632 3.815 . 0 0 "[ . 1 . 2]" 1 2566 1 92 VAL MG2 1 93 HIS H . . 4.160 3.532 3.407 3.603 . 0 0 "[ . 1 . 2]" 1 2567 1 92 VAL MG2 1 93 HIS HA . . 4.960 5.278 5.226 5.313 0.353 8 0 "[ . 1 . 2]" 1 2568 1 93 HIS H 1 93 HIS HB2 . . 3.660 2.696 2.625 2.779 . 0 0 "[ . 1 . 2]" 1 2569 1 93 HIS H 1 93 HIS HB3 . . 3.940 3.752 3.638 3.831 . 0 0 "[ . 1 . 2]" 1 2570 1 93 HIS H 1 93 HIS HD2 . . 4.450 4.115 3.675 4.405 . 0 0 "[ . 1 . 2]" 1 2571 1 93 HIS H 1 94 GLU H . . 5.090 3.731 3.577 3.852 . 0 0 "[ . 1 . 2]" 1 2572 1 93 HIS HA 1 94 GLU H . . 2.920 2.263 2.224 2.317 . 0 0 "[ . 1 . 2]" 1 2573 1 93 HIS HA 1 94 GLU HA . . 4.720 4.442 4.405 4.489 . 0 0 "[ . 1 . 2]" 1 2574 1 93 HIS HA 1 94 GLU HB2 . . 5.190 4.193 4.173 4.211 . 0 0 "[ . 1 . 2]" 1 2575 1 93 HIS HA 1 94 GLU HB3 . . 5.500 5.302 5.161 5.465 . 0 0 "[ . 1 . 2]" 1 2576 1 93 HIS HB2 1 94 GLU H . . 4.680 4.627 4.584 4.673 . 0 0 "[ . 1 . 2]" 1 2577 1 93 HIS HB3 1 94 GLU H . . 4.250 4.047 3.946 4.148 . 0 0 "[ . 1 . 2]" 1 2578 1 94 GLU H 1 94 GLU HB2 . . 3.830 2.052 2.026 2.119 . 0 0 "[ . 1 . 2]" 1 2579 1 94 GLU H 1 94 GLU HB3 . . 4.020 3.291 3.209 3.415 . 0 0 "[ . 1 . 2]" 1 2580 1 94 GLU H 1 94 GLU HG2 . . 4.450 3.542 3.267 3.844 . 0 0 "[ . 1 . 2]" 1 2581 1 94 GLU H 1 94 GLU HG3 . . 4.730 3.800 3.480 4.071 . 0 0 "[ . 1 . 2]" 1 2582 1 94 GLU H 1 95 GLY H . . 5.500 4.648 4.548 4.671 . 0 0 "[ . 1 . 2]" 1 2583 1 94 GLU HA 1 94 GLU HG2 . . 3.880 2.024 1.988 2.091 . 0 0 "[ . 1 . 2]" 1 2584 1 94 GLU HA 1 94 GLU HG3 . . 3.590 3.356 3.004 3.440 . 0 0 "[ . 1 . 2]" 1 2585 1 94 GLU HA 1 95 GLY H . . 3.110 2.318 2.209 2.386 . 0 0 "[ . 1 . 2]" 1 2586 1 94 GLU HA 1 95 GLY QA . . 4.890 3.955 3.906 4.049 . 0 0 "[ . 1 . 2]" 1 2587 1 94 GLU HB2 1 95 GLY H . . 4.660 4.349 4.243 4.582 . 0 0 "[ . 1 . 2]" 1 2588 1 94 GLU HB3 1 95 GLY H . . 4.480 3.339 3.121 3.793 . 0 0 "[ . 1 . 2]" 1 2589 1 94 GLU HG2 1 95 GLY H . . 4.730 3.381 2.918 3.671 . 0 0 "[ . 1 . 2]" 1 2590 1 94 GLU HG3 1 95 GLY H . . 5.120 4.623 4.324 4.993 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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