NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
552857 | 2lxb | 18670 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxb 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 3394 _Distance_constraint_stats_list.Viol_count 1409 _Distance_constraint_stats_list.Viol_total 1340.687 _Distance_constraint_stats_list.Viol_max 0.842 _Distance_constraint_stats_list.Viol_rms 0.0331 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0040 _Distance_constraint_stats_list.Viol_average_violations_only 0.0952 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 VAL 0.970 0.150 7 0 "[ . 1]" 1 3 ASP 1.375 0.167 3 0 "[ . 1]" 1 4 SER 1.891 0.484 8 0 "[ . 1]" 1 5 ALA 0.700 0.294 8 0 "[ . 1]" 1 6 SER 2.841 0.390 6 0 "[ . 1]" 1 7 LYS 5.209 0.800 4 1 "[ +. 1]" 1 8 GLU 3.026 0.783 9 1 "[ . +1]" 1 9 GLU 0.453 0.128 10 0 "[ . 1]" 1 10 ILE 1.059 0.226 8 0 "[ . 1]" 1 11 ALA 0.000 0.000 . 0 "[ . 1]" 1 12 ALA 0.059 0.032 8 0 "[ . 1]" 1 13 LEU 2.613 0.227 1 0 "[ . 1]" 1 14 ILE 3.360 0.216 6 0 "[ . 1]" 1 15 VAL 6.164 0.315 5 0 "[ . 1]" 1 16 ASN 4.537 0.237 10 0 "[ . 1]" 1 17 TYR 1.984 0.237 10 0 "[ . 1]" 1 18 PHE 2.607 0.086 4 0 "[ . 1]" 1 19 SER 1.050 0.539 10 1 "[ . +]" 1 20 SER 1.845 0.539 10 1 "[ . +]" 1 21 ILE 1.905 0.720 4 1 "[ +. 1]" 1 22 VAL 0.951 0.061 7 0 "[ . 1]" 1 23 GLU 0.588 0.286 8 0 "[ . 1]" 1 24 LYS 0.871 0.360 5 0 "[ . 1]" 1 25 LYS 2.604 0.588 1 2 "[+ .- 1]" 1 26 GLU 0.370 0.218 3 0 "[ . 1]" 1 27 ILE 2.065 0.842 4 1 "[ +. 1]" 1 28 SER 1.219 0.417 1 0 "[ . 1]" 1 29 GLU 0.524 0.221 1 0 "[ . 1]" 1 30 ASP 0.499 0.338 6 0 "[ . 1]" 1 31 GLY 0.112 0.069 7 0 "[ . 1]" 1 32 ALA 0.000 0.000 . 0 "[ . 1]" 1 33 ASP 0.000 0.000 . 0 "[ . 1]" 1 34 SER 5.667 0.575 4 4 "[*- +. * 1]" 1 35 LEU 1.180 0.053 6 0 "[ . 1]" 1 36 ASN 0.000 0.000 . 0 "[ . 1]" 1 37 VAL 2.369 0.548 4 2 "[ - +. 1]" 1 38 ALA 0.361 0.098 2 0 "[ . 1]" 1 39 MET 2.689 0.237 10 0 "[ . 1]" 1 40 ASP 0.051 0.040 2 0 "[ . 1]" 1 41 CYS 0.126 0.120 10 0 "[ . 1]" 1 42 ILE 1.150 0.087 2 0 "[ . 1]" 1 43 SER 0.172 0.086 2 0 "[ . 1]" 1 44 GLU 0.120 0.120 10 0 "[ . 1]" 1 45 ALA 1.638 0.324 1 0 "[ . 1]" 1 46 PHE 1.173 0.721 9 1 "[ . +1]" 1 47 GLY 0.000 0.000 . 0 "[ . 1]" 1 48 PHE 2.856 0.315 5 0 "[ . 1]" 1 49 GLU 0.142 0.068 8 0 "[ . 1]" 1 50 ARG 4.957 0.558 2 1 "[ + . 1]" 1 51 GLU 3.035 0.625 2 3 "[-+ . * 1]" 1 52 ALA 0.115 0.068 8 0 "[ . 1]" 1 53 VAL 1.101 0.099 8 0 "[ . 1]" 1 54 SER 0.561 0.288 4 0 "[ . 1]" 1 55 GLY 1.402 0.141 4 0 "[ . 1]" 1 56 ILE 4.048 0.783 9 2 "[ * . +1]" 1 57 LEU 1.342 0.288 4 0 "[ . 1]" 1 58 GLY 0.586 0.132 1 0 "[ . 1]" 1 59 LYS 1.161 0.534 2 1 "[ + . 1]" 1 60 SER 0.000 0.000 . 0 "[ . 1]" 1 61 GLU 0.246 0.076 1 0 "[ . 1]" 1 62 PHE 2.188 0.226 8 0 "[ . 1]" 1 64 GLY 0.000 0.000 . 0 "[ . 1]" 1 65 GLN 5.816 0.729 2 5 "[-+ ** * 1]" 1 66 HIS 1.021 0.315 1 0 "[ . 1]" 1 68 ALA 0.963 0.692 4 1 "[ +. 1]" 1 70 ILE 1.747 0.241 7 0 "[ . 1]" 1 72 ASN 1.588 0.519 8 1 "[ . + 1]" 1 73 SER 2.728 0.692 4 1 "[ +. 1]" 1 74 ALA 0.767 0.302 7 0 "[ . 1]" 2 2 VAL 0.949 0.150 7 0 "[ . 1]" 2 3 ASP 1.362 0.166 3 0 "[ . 1]" 2 4 SER 1.897 0.483 8 0 "[ . 1]" 2 5 ALA 0.704 0.300 8 0 "[ . 1]" 2 6 SER 2.851 0.387 6 0 "[ . 1]" 2 7 LYS 5.235 0.842 4 1 "[ +. 1]" 2 8 GLU 3.040 0.784 9 1 "[ . +1]" 2 9 GLU 0.451 0.126 10 0 "[ . 1]" 2 10 ILE 1.100 0.228 8 0 "[ . 1]" 2 11 ALA 0.000 0.000 . 0 "[ . 1]" 2 12 ALA 0.060 0.029 8 0 "[ . 1]" 2 13 LEU 2.603 0.226 1 0 "[ . 1]" 2 14 ILE 3.345 0.212 6 0 "[ . 1]" 2 15 VAL 6.172 0.314 5 0 "[ . 1]" 2 16 ASN 4.554 0.239 10 0 "[ . 1]" 2 17 TYR 1.952 0.239 10 0 "[ . 1]" 2 18 PHE 2.527 0.082 4 0 "[ . 1]" 2 19 SER 1.049 0.546 10 1 "[ . +]" 2 20 SER 1.853 0.546 10 1 "[ . +]" 2 21 ILE 1.879 0.693 4 1 "[ +. 1]" 2 22 VAL 0.941 0.062 7 0 "[ . 1]" 2 23 GLU 0.594 0.283 8 0 "[ . 1]" 2 24 LYS 0.877 0.365 5 0 "[ . 1]" 2 25 LYS 2.597 0.592 1 2 "[+ .- 1]" 2 26 GLU 0.429 0.212 3 0 "[ . 1]" 2 27 ILE 2.025 0.800 4 1 "[ +. 1]" 2 28 SER 1.231 0.415 1 0 "[ . 1]" 2 29 GLU 0.534 0.225 1 0 "[ . 1]" 2 30 ASP 0.490 0.338 6 0 "[ . 1]" 2 31 GLY 0.111 0.073 7 0 "[ . 1]" 2 32 ALA 0.000 0.000 . 0 "[ . 1]" 2 33 ASP 0.000 0.000 . 0 "[ . 1]" 2 34 SER 5.747 0.573 4 4 "[*- +. * 1]" 2 35 LEU 1.190 0.055 6 0 "[ . 1]" 2 36 ASN 0.000 0.000 . 0 "[ . 1]" 2 37 VAL 2.375 0.547 4 2 "[ - +. 1]" 2 38 ALA 0.358 0.087 2 0 "[ . 1]" 2 39 MET 2.680 0.235 10 0 "[ . 1]" 2 40 ASP 0.057 0.046 2 0 "[ . 1]" 2 41 CYS 0.116 0.116 10 0 "[ . 1]" 2 42 ILE 1.190 0.098 2 0 "[ . 1]" 2 43 SER 0.179 0.082 2 0 "[ . 1]" 2 44 GLU 0.116 0.116 10 0 "[ . 1]" 2 45 ALA 1.524 0.315 1 0 "[ . 1]" 2 46 PHE 1.162 0.727 9 1 "[ . +1]" 2 47 GLY 0.000 0.000 . 0 "[ . 1]" 2 48 PHE 2.866 0.314 5 0 "[ . 1]" 2 49 GLU 0.140 0.067 8 0 "[ . 1]" 2 50 ARG 4.927 0.552 2 1 "[ + . 1]" 2 51 GLU 3.051 0.626 2 3 "[-+ . * 1]" 2 52 ALA 0.112 0.067 8 0 "[ . 1]" 2 53 VAL 1.119 0.102 8 0 "[ . 1]" 2 54 SER 0.547 0.287 4 0 "[ . 1]" 2 55 GLY 1.390 0.138 9 0 "[ . 1]" 2 56 ILE 4.042 0.784 9 2 "[ * . +1]" 2 57 LEU 1.348 0.287 4 0 "[ . 1]" 2 58 GLY 0.582 0.130 1 0 "[ . 1]" 2 59 LYS 1.157 0.537 2 1 "[ + . 1]" 2 60 SER 0.000 0.000 . 0 "[ . 1]" 2 61 GLU 0.235 0.070 3 0 "[ . 1]" 2 62 PHE 2.142 0.228 8 0 "[ . 1]" 2 64 GLY 0.000 0.000 . 0 "[ . 1]" 2 65 GLN 5.787 0.728 2 5 "[-+ ** * 1]" 2 66 HIS 1.000 0.315 1 0 "[ . 1]" 2 68 ALA 0.950 0.682 4 1 "[ +. 1]" 2 70 ILE 1.757 0.242 7 0 "[ . 1]" 2 72 ASN 1.581 0.515 8 1 "[ . + 1]" 2 73 SER 2.722 0.682 4 1 "[ +. 1]" 2 74 ALA 0.759 0.304 7 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 46 PHE HZ 2 21 ILE MG 2.906 2.062 3.164 2.888 2.609 3.165 0.001 3 0 "[ . 1]" 1 2 1 21 ILE MG 2 46 PHE HZ 2.906 2.062 3.164 2.880 2.613 3.165 0.001 3 0 "[ . 1]" 1 3 1 46 PHE HZ 2 35 LEU MD1 2.983 2.093 3.873 2.562 2.323 2.729 . 0 0 "[ . 1]" 1 4 1 35 LEU MD1 2 46 PHE HZ 2.983 2.093 3.873 2.562 2.341 2.737 . 0 0 "[ . 1]" 1 5 1 46 PHE QD 1 48 PHE QE 2.902 2.060 3.744 2.187 2.056 2.484 0.004 9 0 "[ . 1]" 1 6 2 46 PHE QD 2 48 PHE QE 2.902 2.060 3.744 2.189 2.056 2.486 0.004 9 0 "[ . 1]" 1 7 1 46 PHE HB3 1 46 PHE QD 3.509 2.278 4.740 2.463 2.390 2.543 . 0 0 "[ . 1]" 1 8 2 46 PHE HB3 2 46 PHE QD 3.509 2.278 4.740 2.463 2.390 2.542 . 0 0 "[ . 1]" 1 9 1 46 PHE HB2 1 46 PHE QD 3.402 2.244 4.560 2.324 2.277 2.373 . 0 0 "[ . 1]" 1 10 2 46 PHE HB2 2 46 PHE QD 3.402 2.244 4.560 2.325 2.279 2.375 . 0 0 "[ . 1]" 1 11 1 46 PHE H 1 46 PHE QD 3.643 2.316 4.970 2.728 2.498 3.027 . 0 0 "[ . 1]" 1 12 2 46 PHE H 2 46 PHE QD 3.643 2.316 4.970 2.730 2.501 3.029 . 0 0 "[ . 1]" 1 13 1 46 PHE QD 2 35 LEU MD2 4.098 2.419 5.777 3.374 3.061 3.607 . 0 0 "[ . 1]" 1 14 1 35 LEU MD2 2 46 PHE QD 4.098 2.419 5.777 3.371 3.077 3.620 . 0 0 "[ . 1]" 1 15 1 8 GLU HA 1 46 PHE QD 4.231 2.441 6.021 3.875 3.138 4.554 . 0 0 "[ . 1]" 1 16 2 8 GLU HA 2 46 PHE QD 4.231 2.441 6.021 3.875 3.141 4.553 . 0 0 "[ . 1]" 1 17 1 18 PHE HA 1 18 PHE QE 4.205 2.437 5.973 4.331 4.311 4.353 . 0 0 "[ . 1]" 1 18 2 18 PHE HA 2 18 PHE QE 4.205 2.437 5.973 4.332 4.310 4.354 . 0 0 "[ . 1]" 1 19 1 18 PHE HB2 1 18 PHE QD 3.691 2.328 5.054 2.285 2.281 2.290 0.047 4 0 "[ . 1]" 1 20 2 18 PHE HB2 2 18 PHE QD 3.691 2.328 5.054 2.285 2.280 2.290 0.048 1 0 "[ . 1]" 1 21 1 17 TYR QD 1 21 ILE HG12 3.979 2.396 5.562 3.589 3.139 3.898 . 0 0 "[ . 1]" 1 22 2 17 TYR QD 2 21 ILE HG12 3.979 2.396 5.562 3.589 3.141 3.898 . 0 0 "[ . 1]" 1 23 1 17 TYR QD 2 14 ILE MD 3.820 2.361 4.590 2.848 2.339 3.327 0.022 3 0 "[ . 1]" 1 24 1 14 ILE MD 2 17 TYR QD 3.820 2.361 4.590 2.849 2.337 3.326 0.024 3 0 "[ . 1]" 1 25 1 17 TYR QD 2 10 ILE MG 4.064 2.412 5.716 3.017 2.762 3.521 . 0 0 "[ . 1]" 1 26 1 10 ILE MG 2 17 TYR QD 4.064 2.412 5.716 3.016 2.791 3.548 . 0 0 "[ . 1]" 1 27 1 17 TYR QE 2 14 ILE MD 3.667 2.322 5.012 3.822 2.697 4.505 . 0 0 "[ . 1]" 1 28 1 14 ILE MD 2 17 TYR QE 3.667 2.322 5.012 3.823 2.713 4.494 . 0 0 "[ . 1]" 1 29 1 17 TYR QE 2 10 ILE MG 3.579 2.298 4.371 3.090 2.864 3.445 . 0 0 "[ . 1]" 1 30 1 10 ILE MG 2 17 TYR QE 3.579 2.298 4.371 3.088 2.883 3.444 . 0 0 "[ . 1]" 1 31 1 17 TYR QE 1 21 ILE HG12 3.817 2.360 5.274 3.723 3.464 3.974 . 0 0 "[ . 1]" 1 32 2 17 TYR QE 2 21 ILE HG12 3.817 2.360 5.274 3.723 3.468 3.978 . 0 0 "[ . 1]" 1 33 1 17 TYR HB3 1 17 TYR QD 3.604 2.305 4.903 2.318 2.288 2.362 0.017 3 0 "[ . 1]" 1 34 2 17 TYR HB3 2 17 TYR QD 3.604 2.305 4.903 2.318 2.289 2.361 0.016 3 0 "[ . 1]" 1 35 1 17 TYR QD 1 18 PHE QD 4.641 2.488 6.794 3.355 3.123 3.573 . 0 0 "[ . 1]" 1 36 2 17 TYR QD 2 18 PHE QD 4.641 2.488 6.794 3.354 3.120 3.571 . 0 0 "[ . 1]" 1 37 1 17 TYR QE 1 18 PHE QE 4.301 2.452 6.150 3.877 2.651 4.874 . 0 0 "[ . 1]" 1 38 2 17 TYR QE 2 18 PHE QE 4.301 2.452 6.150 3.876 2.653 4.869 . 0 0 "[ . 1]" 1 39 1 62 PHE HA 1 62 PHE QE 4.362 2.459 6.265 4.485 4.337 4.605 . 0 0 "[ . 1]" 1 40 2 62 PHE HA 2 62 PHE QE 4.362 2.459 6.265 4.486 4.342 4.606 . 0 0 "[ . 1]" 1 41 1 46 PHE HB3 1 48 PHE QD 4.713 2.492 6.934 3.082 2.942 3.194 . 0 0 "[ . 1]" 1 42 2 46 PHE HB3 2 48 PHE QD 4.713 2.492 6.934 3.081 2.940 3.198 . 0 0 "[ . 1]" 1 43 1 48 PHE HB2 1 48 PHE QD 3.228 2.186 4.270 2.283 2.260 2.301 . 0 0 "[ . 1]" 1 44 2 48 PHE HB2 2 48 PHE QD 3.228 2.186 4.270 2.284 2.261 2.303 . 0 0 "[ . 1]" 1 45 1 46 PHE HB2 1 48 PHE QD 3.924 . 6.000 1.940 1.888 2.013 . 0 0 "[ . 1]" 1 46 2 46 PHE HB2 2 48 PHE QD 3.924 . 6.000 1.940 1.885 2.015 . 0 0 "[ . 1]" 1 47 1 62 PHE HB2 1 62 PHE QE 4.412 2.465 6.359 4.381 4.372 4.416 . 0 0 "[ . 1]" 1 48 2 62 PHE HB2 2 62 PHE QE 4.412 2.465 6.359 4.382 4.372 4.417 . 0 0 "[ . 1]" 1 49 1 48 PHE QD 1 53 VAL MG1 3.209 2.179 4.239 3.657 3.383 3.987 . 0 0 "[ . 1]" 1 50 2 48 PHE QD 2 53 VAL MG1 3.209 2.179 4.239 3.657 3.386 3.985 . 0 0 "[ . 1]" 1 51 1 62 PHE HB2 1 62 PHE QD 3.894 2.377 5.411 2.304 2.279 2.409 0.098 10 0 "[ . 1]" 1 52 2 62 PHE HB2 2 62 PHE QD 3.894 2.377 5.411 2.304 2.278 2.413 0.099 8 0 "[ . 1]" 1 53 1 57 LEU MD2 1 62 PHE QE 4.413 2.465 6.361 3.735 2.563 6.256 . 0 0 "[ . 1]" 1 54 2 57 LEU MD2 2 62 PHE QE 4.413 2.465 6.361 3.735 2.565 6.255 . 0 0 "[ . 1]" 1 55 1 15 VAL HB 1 48 PHE QE 4.572 2.482 6.662 4.509 4.395 4.731 . 0 0 "[ . 1]" 1 56 2 15 VAL HB 2 48 PHE QE 4.572 2.482 6.662 4.509 4.395 4.734 . 0 0 "[ . 1]" 1 57 1 14 ILE MG 1 18 PHE QD 3.126 2.149 4.103 2.855 2.717 2.998 . 0 0 "[ . 1]" 1 58 2 14 ILE MG 2 18 PHE QD 3.126 2.149 4.103 2.855 2.715 2.999 . 0 0 "[ . 1]" 1 59 1 18 PHE QE 2 14 ILE MD 3.928 2.385 4.642 2.623 2.437 2.746 . 0 0 "[ . 1]" 1 60 1 14 ILE MD 2 18 PHE QE 3.928 2.385 4.642 2.620 2.430 2.751 . 0 0 "[ . 1]" 1 61 1 18 PHE QD 1 35 LEU MD1 3.456 2.262 4.650 2.322 2.236 2.584 0.026 8 0 "[ . 1]" 1 62 2 18 PHE QD 2 35 LEU MD1 3.456 2.262 4.650 2.323 2.234 2.582 0.028 8 0 "[ . 1]" 1 63 1 15 VAL QG 1 48 PHE QE 3.166 2.255 4.613 2.048 1.940 2.229 0.315 5 0 "[ . 1]" 1 64 2 15 VAL QG 2 48 PHE QE 3.166 2.255 4.613 2.048 1.941 2.230 0.314 5 0 "[ . 1]" 1 65 1 42 ILE MG 1 48 PHE QE 3.091 2.136 4.046 2.377 2.160 2.528 . 0 0 "[ . 1]" 1 66 2 42 ILE MG 2 48 PHE QE 3.091 2.136 4.046 2.377 2.162 2.529 . 0 0 "[ . 1]" 1 67 1 66 HIS HB2 1 66 HIS HD2 3.648 2.317 4.979 3.325 2.823 3.955 . 0 0 "[ . 1]" 1 68 2 66 HIS HB2 2 66 HIS HD2 3.648 2.317 4.979 3.324 2.825 3.952 . 0 0 "[ . 1]" 1 69 1 66 HIS HB3 1 66 HIS HD2 3.885 2.376 5.394 3.566 2.670 3.977 . 0 0 "[ . 1]" 1 70 2 66 HIS HB3 2 66 HIS HD2 3.885 2.376 5.394 3.566 2.672 3.973 . 0 0 "[ . 1]" 1 71 1 66 HIS HA 1 66 HIS HD2 3.644 2.316 4.972 3.356 2.304 4.856 0.012 10 0 "[ . 1]" 1 72 2 66 HIS HA 2 66 HIS HD2 3.644 2.316 4.972 3.356 2.303 4.856 0.013 10 0 "[ . 1]" 1 73 1 9 GLU HB3 1 62 PHE QE 4.456 2.470 6.442 3.377 2.444 3.957 0.026 6 0 "[ . 1]" 1 74 2 9 GLU HB3 2 62 PHE QE 4.456 2.470 6.442 3.379 2.443 3.959 0.027 6 0 "[ . 1]" 1 75 1 61 GLU HB2 1 62 PHE QD 5.082 2.499 7.665 5.693 5.013 6.286 . 0 0 "[ . 1]" 1 76 2 61 GLU HB2 2 62 PHE QD 5.082 2.499 7.665 5.692 5.008 6.282 . 0 0 "[ . 1]" 1 77 1 18 PHE HZ 2 14 ILE MD . 2.216 3.305 2.326 2.211 2.409 0.005 6 0 "[ . 1]" 1 78 1 14 ILE MD 2 18 PHE HZ . 2.216 3.305 2.322 2.211 2.403 0.005 6 0 "[ . 1]" 1 79 1 18 PHE HZ 2 14 ILE MG 3.252 2.195 4.309 2.436 2.266 2.813 . 0 0 "[ . 1]" 1 80 1 14 ILE MG 2 18 PHE HZ 3.252 2.195 4.309 2.436 2.261 2.811 . 0 0 "[ . 1]" 1 81 1 44 GLU HA 1 45 ALA H 3.703 2.332 5.074 3.506 3.443 3.541 . 0 0 "[ . 1]" 1 82 2 44 GLU HA 2 45 ALA H 3.703 2.332 5.074 3.506 3.443 3.539 . 0 0 "[ . 1]" 1 83 1 44 GLU HA 1 48 PHE H 4.283 2.449 6.117 4.392 3.666 4.909 . 0 0 "[ . 1]" 1 84 2 44 GLU HA 2 48 PHE H 4.283 2.449 6.117 4.395 3.665 4.908 . 0 0 "[ . 1]" 1 85 1 44 GLU HA 1 46 PHE H 4.944 2.500 7.388 4.669 4.423 4.788 . 0 0 "[ . 1]" 1 86 2 44 GLU HA 2 46 PHE H 4.944 2.500 7.388 4.667 4.420 4.786 . 0 0 "[ . 1]" 1 87 1 51 GLU HA 1 53 VAL H 3.622 2.310 4.934 3.486 3.374 3.574 . 0 0 "[ . 1]" 1 88 2 51 GLU HA 2 53 VAL H 3.622 2.310 4.934 3.485 3.368 3.578 . 0 0 "[ . 1]" 1 89 1 13 LEU H 1 13 LEU HA 2.974 2.090 3.858 2.808 2.794 2.826 . 0 0 "[ . 1]" 1 90 2 13 LEU H 2 13 LEU HA 2.974 2.090 3.858 2.808 2.794 2.824 . 0 0 "[ . 1]" 1 91 1 46 PHE HA 1 46 PHE QD 3.421 2.251 4.591 2.709 2.506 2.886 . 0 0 "[ . 1]" 1 92 2 46 PHE HA 2 46 PHE QD 3.421 2.251 4.591 2.709 2.501 2.886 . 0 0 "[ . 1]" 1 93 1 18 PHE HA 1 18 PHE QD 3.205 2.178 4.232 2.112 2.092 2.135 0.086 4 0 "[ . 1]" 1 94 2 18 PHE HA 2 18 PHE QD 3.205 2.178 4.232 2.113 2.096 2.135 0.082 4 0 "[ . 1]" 1 95 1 28 SER HA 1 30 ASP H 4.746 2.493 6.999 4.561 4.170 4.919 . 0 0 "[ . 1]" 1 96 2 28 SER HA 2 30 ASP H 4.746 2.493 6.999 4.561 4.169 4.919 . 0 0 "[ . 1]" 1 97 1 49 GLU HA 1 50 ARG H 2.369 . 2.930 2.383 2.318 2.409 . 0 0 "[ . 1]" 1 98 2 49 GLU HA 2 50 ARG H 2.369 . 2.930 2.381 2.316 2.405 . 0 0 "[ . 1]" 1 99 1 45 ALA H 1 45 ALA HA 2.783 2.009 3.557 2.812 2.761 2.875 . 0 0 "[ . 1]" 1 100 2 45 ALA H 2 45 ALA HA 2.783 2.009 3.557 2.813 2.761 2.874 . 0 0 "[ . 1]" 1 101 1 61 GLU HA 1 62 PHE H 3.504 2.277 4.731 3.343 3.236 3.504 . 0 0 "[ . 1]" 1 102 2 61 GLU HA 2 62 PHE H 3.504 2.277 4.731 3.345 3.238 3.508 . 0 0 "[ . 1]" 1 103 1 35 LEU HA 1 35 LEU MD2 2.852 2.039 3.665 2.019 2.011 2.026 0.028 2 0 "[ . 1]" 1 104 2 35 LEU HA 2 35 LEU MD2 2.852 2.039 3.665 2.019 2.013 2.024 0.026 2 0 "[ . 1]" 1 105 1 61 GLU H 1 61 GLU HA 3.481 2.269 4.693 2.892 2.877 2.918 . 0 0 "[ . 1]" 1 106 2 61 GLU H 2 61 GLU HA 3.481 2.269 4.693 2.891 2.876 2.917 . 0 0 "[ . 1]" 1 107 1 6 SER HA 1 7 LYS H 2.402 . 2.979 2.214 2.158 2.332 . 0 0 "[ . 1]" 1 108 2 6 SER HA 2 7 LYS H 2.402 . 2.979 2.212 2.158 2.333 . 0 0 "[ . 1]" 1 109 1 30 ASP HA 1 33 ASP H 3.395 2.242 4.548 3.547 3.356 3.813 . 0 0 "[ . 1]" 1 110 2 30 ASP HA 2 33 ASP H 3.395 2.242 4.548 3.547 3.352 3.809 . 0 0 "[ . 1]" 1 111 1 62 PHE HA 1 62 PHE QD 3.575 2.297 4.853 2.547 2.285 2.966 0.012 6 0 "[ . 1]" 1 112 2 62 PHE HA 2 62 PHE QD 3.575 2.297 4.853 2.548 2.289 2.966 0.008 6 0 "[ . 1]" 1 113 1 38 ALA H 1 38 ALA HA 2.890 2.055 3.725 2.810 2.794 2.818 . 0 0 "[ . 1]" 1 114 2 38 ALA H 2 38 ALA HA 2.890 2.055 3.725 2.811 2.794 2.819 . 0 0 "[ . 1]" 1 115 1 11 ALA HA 1 15 VAL H 3.782 2.351 5.213 3.915 3.846 3.968 . 0 0 "[ . 1]" 1 116 2 11 ALA HA 2 15 VAL H 3.782 2.351 5.213 3.915 3.849 3.966 . 0 0 "[ . 1]" 1 117 1 11 ALA HA 1 48 PHE HZ 2.993 . 6.000 4.276 4.115 4.580 . 0 0 "[ . 1]" 1 118 2 11 ALA HA 2 48 PHE HZ 2.993 . 6.000 4.275 4.114 4.579 . 0 0 "[ . 1]" 1 119 1 52 ALA H 1 52 ALA HA 2.749 . 3.505 2.905 2.878 2.919 . 0 0 "[ . 1]" 1 120 2 52 ALA H 2 52 ALA HA 2.749 . 3.505 2.905 2.880 2.918 . 0 0 "[ . 1]" 1 121 1 52 ALA HA 1 53 VAL H 3.369 2.234 4.504 3.250 3.226 3.286 . 0 0 "[ . 1]" 1 122 2 52 ALA HA 2 53 VAL H 3.369 2.234 4.504 3.249 3.226 3.284 . 0 0 "[ . 1]" 1 123 1 5 ALA HA 1 6 SER H 2.500 . 3.125 2.497 2.166 2.880 . 0 0 "[ . 1]" 1 124 2 5 ALA HA 2 6 SER H 2.500 . 3.125 2.496 2.165 2.872 . 0 0 "[ . 1]" 1 125 1 47 GLY HA3 1 48 PHE H 3.504 2.276 4.732 3.574 3.562 3.582 . 0 0 "[ . 1]" 1 126 2 47 GLY HA3 2 48 PHE H 3.504 2.276 4.732 3.573 3.563 3.580 . 0 0 "[ . 1]" 1 127 1 48 PHE HB3 1 48 PHE QD 3.707 2.333 5.081 2.529 2.500 2.590 . 0 0 "[ . 1]" 1 128 2 48 PHE HB3 2 48 PHE QD 3.707 2.333 5.081 2.528 2.501 2.589 . 0 0 "[ . 1]" 1 129 1 35 LEU HB3 1 35 LEU MD2 3.320 2.217 4.423 2.386 2.373 2.405 . 0 0 "[ . 1]" 1 130 2 35 LEU HB3 2 35 LEU MD2 3.320 2.217 4.423 2.387 2.378 2.403 . 0 0 "[ . 1]" 1 131 1 57 LEU H 1 57 LEU HB3 2.896 2.057 3.735 3.604 3.586 3.619 . 0 0 "[ . 1]" 1 132 2 57 LEU H 2 57 LEU HB3 2.896 2.057 3.735 3.604 3.587 3.621 . 0 0 "[ . 1]" 1 133 1 46 PHE HB3 1 48 PHE QE 4.229 2.440 6.018 3.958 3.898 4.101 . 0 0 "[ . 1]" 1 134 2 46 PHE HB3 2 48 PHE QE 4.229 2.440 6.018 3.958 3.897 4.101 . 0 0 "[ . 1]" 1 135 1 46 PHE HB2 1 48 PHE QE 3.595 2.303 4.887 2.323 2.279 2.457 0.024 4 0 "[ . 1]" 1 136 2 46 PHE HB2 2 48 PHE QE 3.595 2.303 4.887 2.323 2.279 2.457 0.024 4 0 "[ . 1]" 1 137 1 16 ASN HB2 1 17 TYR H 2.861 2.043 3.679 3.865 3.805 3.916 0.237 10 0 "[ . 1]" 1 138 2 16 ASN HB2 2 17 TYR H 2.861 2.043 3.679 3.865 3.807 3.918 0.239 10 0 "[ . 1]" 1 139 1 62 PHE H 1 62 PHE HB3 3.454 2.261 4.647 3.849 3.588 4.129 . 0 0 "[ . 1]" 1 140 2 62 PHE H 2 62 PHE HB3 3.454 2.261 4.647 3.849 3.588 4.127 . 0 0 "[ . 1]" 1 141 1 62 PHE HB3 1 62 PHE QD 3.617 2.309 4.925 2.532 2.372 2.663 . 0 0 "[ . 1]" 1 142 2 62 PHE HB3 2 62 PHE QD 3.617 2.309 4.925 2.532 2.370 2.662 . 0 0 "[ . 1]" 1 143 1 56 ILE HB 1 57 LEU H 3.002 2.101 3.903 2.448 2.306 2.623 . 0 0 "[ . 1]" 1 144 2 56 ILE HB 2 57 LEU H 3.002 2.101 3.903 2.449 2.302 2.622 . 0 0 "[ . 1]" 1 145 1 70 ILE H 1 70 ILE HB 2.978 2.091 3.865 3.144 2.536 3.832 . 0 0 "[ . 1]" 1 146 2 70 ILE H 2 70 ILE HB 2.978 2.091 3.865 3.143 2.536 3.830 . 0 0 "[ . 1]" 1 147 1 14 ILE HB 1 15 VAL H 2.971 2.088 3.854 2.455 2.357 2.594 . 0 0 "[ . 1]" 1 148 2 14 ILE HB 2 15 VAL H 2.971 2.088 3.854 2.456 2.357 2.595 . 0 0 "[ . 1]" 1 149 1 8 GLU HG3 1 48 PHE QD 4.464 2.471 6.457 4.526 4.020 6.717 0.260 9 0 "[ . 1]" 1 150 2 8 GLU HG3 2 48 PHE QD 4.464 2.471 6.457 4.527 4.020 6.717 0.260 9 0 "[ . 1]" 1 151 1 8 GLU HG2 1 48 PHE QD 4.989 2.500 7.478 5.305 4.837 6.480 . 0 0 "[ . 1]" 1 152 2 8 GLU HG2 2 48 PHE QD 4.989 2.500 7.478 5.303 4.833 6.481 . 0 0 "[ . 1]" 1 153 1 8 GLU H 1 8 GLU HG3 5.018 2.500 7.536 4.285 3.332 4.518 . 0 0 "[ . 1]" 1 154 2 8 GLU H 2 8 GLU HG3 5.018 2.500 7.536 4.284 3.323 4.516 . 0 0 "[ . 1]" 1 155 1 18 PHE HB3 1 18 PHE QD 3.840 2.365 5.315 2.717 2.698 2.733 . 0 0 "[ . 1]" 1 156 2 18 PHE HB3 2 18 PHE QD 3.840 2.365 5.315 2.718 2.698 2.733 . 0 0 "[ . 1]" 1 157 1 18 PHE H 1 18 PHE HB2 3.241 2.191 4.291 2.466 2.427 2.500 . 0 0 "[ . 1]" 1 158 2 18 PHE H 2 18 PHE HB2 3.241 2.191 4.291 2.467 2.430 2.500 . 0 0 "[ . 1]" 1 159 1 17 TYR HB2 1 17 TYR QD 3.805 2.357 5.253 2.537 2.447 2.639 . 0 0 "[ . 1]" 1 160 2 17 TYR HB2 2 17 TYR QD 3.805 2.357 5.253 2.538 2.447 2.640 . 0 0 "[ . 1]" 1 161 1 18 PHE QD 1 39 MET HG3 4.775 2.495 7.055 3.033 2.756 3.225 . 0 0 "[ . 1]" 1 162 2 18 PHE QD 2 39 MET HG3 4.775 2.495 7.055 3.033 2.756 3.223 . 0 0 "[ . 1]" 1 163 1 18 PHE QD 1 39 MET HG2 4.973 2.500 7.446 2.494 2.477 2.571 0.023 7 0 "[ . 1]" 1 164 2 18 PHE QD 2 39 MET HG2 4.973 2.500 7.446 2.495 2.478 2.572 0.022 7 0 "[ . 1]" 1 165 1 39 MET H 1 39 MET HG2 4.639 2.487 6.791 3.454 3.363 3.552 . 0 0 "[ . 1]" 1 166 2 39 MET H 2 39 MET HG2 4.639 2.487 6.791 3.454 3.363 3.553 . 0 0 "[ . 1]" 1 167 1 50 ARG H 1 50 ARG QG 3.189 2.437 4.206 2.694 2.203 3.484 0.234 7 0 "[ . 1]" 1 168 2 50 ARG H 2 50 ARG QG 3.189 2.437 4.206 2.694 2.205 3.479 0.232 7 0 "[ . 1]" 1 169 1 50 ARG QG 1 51 GLU H 5.967 2.466 8.716 4.284 3.891 4.751 . 0 0 "[ . 1]" 1 170 2 50 ARG QG 2 51 GLU H 5.967 2.466 8.716 4.286 3.892 4.754 . 0 0 "[ . 1]" 1 171 1 48 PHE QD 1 50 ARG QG 4.830 2.497 7.163 4.876 4.615 5.281 . 0 0 "[ . 1]" 1 172 2 48 PHE QD 2 50 ARG QG 4.830 2.497 7.163 4.877 4.613 5.281 . 0 0 "[ . 1]" 1 173 1 70 ILE H 1 70 ILE HG13 2.728 . 3.472 2.578 1.963 3.539 0.067 7 0 "[ . 1]" 1 174 2 70 ILE H 2 70 ILE HG13 2.728 . 3.472 2.576 1.963 3.538 0.066 7 0 "[ . 1]" 1 175 1 27 ILE HG12 1 32 ALA H 3.529 2.283 4.775 3.165 3.016 3.373 . 0 0 "[ . 1]" 1 176 2 27 ILE HG12 2 32 ALA H 3.529 2.283 4.775 3.165 3.011 3.371 . 0 0 "[ . 1]" 1 177 1 27 ILE H 1 27 ILE HG12 4.110 2.421 5.799 4.529 4.496 4.564 . 0 0 "[ . 1]" 1 178 2 27 ILE H 2 27 ILE HG12 4.110 2.421 5.799 4.530 4.500 4.564 . 0 0 "[ . 1]" 1 179 1 41 CYS H 1 41 CYS HB3 4.188 2.434 5.942 3.592 3.583 3.611 . 0 0 "[ . 1]" 1 180 2 41 CYS H 2 41 CYS HB3 4.188 2.434 5.942 3.592 3.582 3.612 . 0 0 "[ . 1]" 1 181 1 41 CYS H 1 41 CYS HB2 3.046 2.118 3.974 2.505 2.472 2.549 . 0 0 "[ . 1]" 1 182 2 41 CYS H 2 41 CYS HB2 3.046 2.118 3.974 2.506 2.471 2.546 . 0 0 "[ . 1]" 1 183 1 41 CYS HB3 2 38 ALA H 3.723 2.337 4.394 3.622 3.388 3.896 . 0 0 "[ . 1]" 1 184 1 38 ALA H 2 41 CYS HB3 3.723 2.337 4.394 3.617 3.350 3.888 . 0 0 "[ . 1]" 1 185 1 41 CYS HB2 2 38 ALA H 4.360 2.459 6.261 3.890 3.694 4.109 . 0 0 "[ . 1]" 1 186 1 38 ALA H 2 41 CYS HB2 4.360 2.459 6.261 3.888 3.679 4.097 . 0 0 "[ . 1]" 1 187 1 7 LYS HG3 1 46 PHE QD 4.856 2.498 7.214 3.253 2.867 3.465 . 0 0 "[ . 1]" 1 188 2 7 LYS HG3 2 46 PHE QD 4.856 2.498 7.214 3.252 2.876 3.464 . 0 0 "[ . 1]" 1 189 1 7 LYS HG2 1 46 PHE QD 5.453 2.479 8.427 4.836 4.424 5.052 . 0 0 "[ . 1]" 1 190 2 7 LYS HG2 2 46 PHE QD 5.453 2.479 8.427 4.837 4.425 5.052 . 0 0 "[ . 1]" 1 191 1 7 LYS HG3 1 46 PHE HZ 4.242 2.443 6.041 4.586 3.911 5.373 . 0 0 "[ . 1]" 1 192 2 7 LYS HG3 2 46 PHE HZ 4.242 2.443 6.041 4.587 3.911 5.370 . 0 0 "[ . 1]" 1 193 1 48 PHE HZ 1 53 VAL MG1 3.691 2.329 5.053 4.565 4.281 4.773 . 0 0 "[ . 1]" 1 194 2 48 PHE HZ 2 53 VAL MG1 3.691 2.329 5.053 4.566 4.282 4.774 . 0 0 "[ . 1]" 1 195 1 48 PHE QE 1 53 VAL MG1 3.150 2.158 4.142 2.777 2.518 3.047 . 0 0 "[ . 1]" 1 196 2 48 PHE QE 2 53 VAL MG1 3.150 2.158 4.142 2.777 2.520 3.047 . 0 0 "[ . 1]" 1 197 1 16 ASN H 1 53 VAL MG1 3.434 2.255 4.613 2.837 2.771 2.922 . 0 0 "[ . 1]" 1 198 2 16 ASN H 2 53 VAL MG1 3.434 2.255 4.613 2.838 2.776 2.924 . 0 0 "[ . 1]" 1 199 1 53 VAL MG1 1 54 SER H 3.784 2.352 5.216 4.017 3.987 4.062 . 0 0 "[ . 1]" 1 200 2 53 VAL MG1 2 54 SER H 3.784 2.352 5.216 4.018 3.985 4.066 . 0 0 "[ . 1]" 1 201 1 15 VAL QG 1 48 PHE HZ 2.407 2.206 2.986 2.230 2.105 2.377 0.101 8 0 "[ . 1]" 1 202 2 15 VAL QG 2 48 PHE HZ 2.407 2.206 2.986 2.230 2.104 2.378 0.102 8 0 "[ . 1]" 1 203 1 15 VAL H 1 15 VAL QG 2.247 . 2.752 1.905 1.882 1.925 . 0 0 "[ . 1]" 1 204 2 15 VAL H 2 15 VAL QG 2.247 . 2.752 1.904 1.881 1.923 . 0 0 "[ . 1]" 1 205 1 15 VAL QG 1 19 SER H 5.266 2.492 8.040 4.622 4.573 4.684 . 0 0 "[ . 1]" 1 206 2 15 VAL QG 2 19 SER H 5.266 2.492 8.040 4.623 4.574 4.686 . 0 0 "[ . 1]" 1 207 1 15 VAL QG 1 51 GLU H 5.478 2.477 8.479 5.263 5.007 5.453 . 0 0 "[ . 1]" 1 208 2 15 VAL QG 2 51 GLU H 5.478 2.477 8.479 5.264 5.009 5.453 . 0 0 "[ . 1]" 1 209 1 15 VAL QG 1 17 TYR H 5.010 2.500 7.520 4.150 4.085 4.219 . 0 0 "[ . 1]" 1 210 2 15 VAL QG 2 17 TYR H 5.010 2.500 7.520 4.150 4.085 4.220 . 0 0 "[ . 1]" 1 211 1 57 LEU MD2 1 62 PHE QD 3.599 2.304 4.894 4.387 3.243 4.938 0.044 1 0 "[ . 1]" 1 212 2 57 LEU MD2 2 62 PHE QD 3.599 2.304 4.894 4.387 3.245 4.937 0.043 1 0 "[ . 1]" 1 213 1 36 ASN H 1 37 VAL MG1 4.046 2.409 5.683 4.349 4.275 4.384 . 0 0 "[ . 1]" 1 214 2 36 ASN H 2 37 VAL MG1 4.046 2.409 5.683 4.349 4.277 4.382 . 0 0 "[ . 1]" 1 215 1 37 VAL MG1 1 40 ASP H 5.129 2.499 7.759 5.130 5.023 5.231 . 0 0 "[ . 1]" 1 216 2 37 VAL MG1 2 40 ASP H 5.129 2.499 7.759 5.131 5.022 5.236 . 0 0 "[ . 1]" 1 217 1 57 LEU H 1 57 LEU MD1 3.972 2.395 5.549 3.692 3.631 3.811 . 0 0 "[ . 1]" 1 218 2 57 LEU H 2 57 LEU MD1 3.972 2.395 5.549 3.692 3.628 3.813 . 0 0 "[ . 1]" 1 219 1 13 LEU H 1 57 LEU MD1 3.627 2.312 4.942 4.123 3.603 4.435 . 0 0 "[ . 1]" 1 220 2 13 LEU H 2 57 LEU MD1 3.627 2.312 4.942 4.123 3.605 4.436 . 0 0 "[ . 1]" 1 221 1 16 ASN H 1 57 LEU MD1 4.064 2.412 5.716 4.734 4.297 5.094 . 0 0 "[ . 1]" 1 222 2 16 ASN H 2 57 LEU MD1 4.064 2.412 5.716 4.734 4.297 5.093 . 0 0 "[ . 1]" 1 223 1 54 SER H 1 57 LEU MD1 4.374 2.461 6.287 4.305 3.946 4.681 . 0 0 "[ . 1]" 1 224 2 54 SER H 2 57 LEU MD1 4.374 2.461 6.287 4.304 3.956 4.682 . 0 0 "[ . 1]" 1 225 1 22 VAL H 1 22 VAL MG1 2.128 . 2.581 2.236 2.209 2.265 . 0 0 "[ . 1]" 1 226 2 22 VAL H 2 22 VAL MG1 2.128 . 2.581 2.236 2.211 2.267 . 0 0 "[ . 1]" 1 227 1 22 VAL MG1 1 35 LEU MD2 4.609 2.484 6.734 4.221 4.065 4.312 . 0 0 "[ . 1]" 1 228 2 22 VAL MG1 2 35 LEU MD2 4.609 2.484 6.734 4.221 4.065 4.314 . 0 0 "[ . 1]" 1 229 1 48 PHE QD 1 52 ALA MB 3.876 2.374 5.378 3.406 3.058 3.805 . 0 0 "[ . 1]" 1 230 2 48 PHE QD 2 52 ALA MB 3.876 2.374 5.378 3.407 3.059 3.802 . 0 0 "[ . 1]" 1 231 1 49 GLU H 1 52 ALA MB 2.822 2.026 3.618 2.850 2.631 3.279 . 0 0 "[ . 1]" 1 232 2 49 GLU H 2 52 ALA MB 2.822 2.026 3.618 2.850 2.626 3.278 . 0 0 "[ . 1]" 1 233 1 52 ALA MB 1 55 GLY H 3.696 2.330 5.062 4.265 4.078 4.500 . 0 0 "[ . 1]" 1 234 2 52 ALA MB 2 55 GLY H 3.696 2.330 5.062 4.265 4.075 4.501 . 0 0 "[ . 1]" 1 235 1 52 ALA H 1 52 ALA MB 2.033 . 2.446 2.288 2.261 2.308 . 0 0 "[ . 1]" 1 236 2 52 ALA H 2 52 ALA MB 2.033 . 2.446 2.289 2.263 2.308 . 0 0 "[ . 1]" 1 237 1 52 ALA MB 1 56 ILE H 3.775 2.350 5.200 4.102 3.933 4.263 . 0 0 "[ . 1]" 1 238 2 52 ALA MB 2 56 ILE H 3.775 2.350 5.200 4.102 3.935 4.270 . 0 0 "[ . 1]" 1 239 1 52 ALA MB 1 53 VAL H 3.032 2.113 3.951 3.274 3.194 3.343 . 0 0 "[ . 1]" 1 240 2 52 ALA MB 2 53 VAL H 3.032 2.113 3.951 3.274 3.198 3.343 . 0 0 "[ . 1]" 1 241 1 5 ALA MB 1 62 PHE QE 3.511 2.278 4.744 2.959 2.247 4.425 0.031 9 0 "[ . 1]" 1 242 2 5 ALA MB 2 62 PHE QE 3.511 2.278 4.744 2.961 2.252 4.427 0.026 9 0 "[ . 1]" 1 243 1 5 ALA H 1 5 ALA MB 2.606 . 3.285 2.653 2.228 3.017 . 0 0 "[ . 1]" 1 244 2 5 ALA H 2 5 ALA MB 2.606 . 3.285 2.653 2.228 3.016 . 0 0 "[ . 1]" 1 245 1 74 ALA H 1 74 ALA MB 2.315 . 2.851 2.631 2.309 2.880 0.029 8 0 "[ . 1]" 1 246 2 74 ALA H 2 74 ALA MB 2.315 . 2.851 2.631 2.306 2.880 0.029 8 0 "[ . 1]" 1 247 1 16 ASN HD21 1 74 ALA MB 4.436 2.468 6.404 4.764 3.190 6.199 . 0 0 "[ . 1]" 1 248 2 16 ASN HD21 2 74 ALA MB 4.436 2.468 6.404 4.767 3.191 6.198 . 0 0 "[ . 1]" 1 249 1 14 ILE MG 1 17 TYR QD 4.489 2.474 6.504 4.657 3.718 5.196 . 0 0 "[ . 1]" 1 250 2 14 ILE MG 2 17 TYR QD 4.489 2.474 6.504 4.657 3.722 5.194 . 0 0 "[ . 1]" 1 251 1 14 ILE MG 1 15 VAL H 3.493 2.273 4.713 2.950 2.831 3.189 . 0 0 "[ . 1]" 1 252 2 14 ILE MG 2 15 VAL H 3.493 2.273 4.713 2.951 2.831 3.190 . 0 0 "[ . 1]" 1 253 1 42 ILE MG 1 48 PHE HZ 2.653 . 3.357 2.470 2.264 2.577 . 0 0 "[ . 1]" 1 254 2 42 ILE MG 2 48 PHE HZ 2.653 . 3.357 2.469 2.269 2.577 . 0 0 "[ . 1]" 1 255 1 42 ILE MG 2 35 LEU MD2 2.903 2.060 3.746 2.813 2.671 3.035 . 0 0 "[ . 1]" 1 256 1 35 LEU MD2 2 42 ILE MG 2.903 2.060 3.746 2.812 2.636 3.046 . 0 0 "[ . 1]" 1 257 1 12 ALA MB 1 48 PHE HZ 3.789 2.353 5.225 4.596 4.325 4.858 . 0 0 "[ . 1]" 1 258 2 12 ALA MB 2 48 PHE HZ 3.789 2.353 5.225 4.597 4.327 4.859 . 0 0 "[ . 1]" 1 259 1 17 TYR QE 1 21 ILE MG 5.190 2.496 7.884 4.540 4.352 4.828 . 0 0 "[ . 1]" 1 260 2 17 TYR QE 2 21 ILE MG 5.190 2.496 7.884 4.540 4.350 4.826 . 0 0 "[ . 1]" 1 261 1 12 ALA H 1 12 ALA MB 2.342 . 2.891 2.233 2.229 2.235 . 0 0 "[ . 1]" 1 262 2 12 ALA H 2 12 ALA MB 2.342 . 2.891 2.233 2.230 2.236 . 0 0 "[ . 1]" 1 263 1 12 ALA MB 1 13 LEU H 2.470 . 3.080 2.384 2.323 2.460 . 0 0 "[ . 1]" 1 264 2 12 ALA MB 2 13 LEU H 2.470 . 3.080 2.386 2.325 2.460 . 0 0 "[ . 1]" 1 265 1 12 ALA MB 1 53 VAL H 4.583 2.483 6.683 4.375 4.267 4.523 . 0 0 "[ . 1]" 1 266 2 12 ALA MB 2 53 VAL H 4.583 2.483 6.683 4.375 4.266 4.520 . 0 0 "[ . 1]" 1 267 1 12 ALA MB 1 48 PHE QE 4.100 2.419 5.781 3.412 3.135 3.669 . 0 0 "[ . 1]" 1 268 2 12 ALA MB 2 48 PHE QE 4.100 2.419 5.781 3.412 3.133 3.670 . 0 0 "[ . 1]" 1 269 1 36 ASN HD21 1 39 MET ME 3.401 2.244 4.558 4.025 3.902 4.101 . 0 0 "[ . 1]" 1 270 2 36 ASN HD21 2 39 MET ME 3.401 2.244 4.558 4.022 3.898 4.102 . 0 0 "[ . 1]" 1 271 1 39 MET H 1 39 MET ME 3.359 2.231 4.487 3.451 3.379 3.504 . 0 0 "[ . 1]" 1 272 2 39 MET H 2 39 MET ME 3.359 2.231 4.487 3.452 3.381 3.505 . 0 0 "[ . 1]" 1 273 1 17 TYR QE 1 21 ILE MD 3.326 2.220 4.432 2.789 2.265 3.002 . 0 0 "[ . 1]" 1 274 2 17 TYR QE 2 21 ILE MD 3.326 2.220 4.432 2.791 2.272 3.010 . 0 0 "[ . 1]" 1 275 1 21 ILE H 1 21 ILE MD 3.206 2.178 4.234 3.223 3.107 3.310 . 0 0 "[ . 1]" 1 276 2 21 ILE H 2 21 ILE MD 3.206 2.178 4.234 3.222 3.104 3.309 . 0 0 "[ . 1]" 1 277 1 21 ILE MD 1 22 VAL H 4.718 2.492 6.944 4.648 4.629 4.673 . 0 0 "[ . 1]" 1 278 2 21 ILE MD 2 22 VAL H 4.718 2.492 6.944 4.648 4.629 4.676 . 0 0 "[ . 1]" 1 279 1 10 ILE MD 2 17 TYR QE 4.242 2.443 6.041 3.278 2.406 4.078 0.037 8 0 "[ . 1]" 1 280 1 17 TYR QE 2 10 ILE MD 4.242 2.443 6.041 3.276 2.366 4.078 0.077 8 0 "[ . 1]" 1 281 1 10 ILE MD 1 62 PHE QE 4.456 2.471 6.441 3.011 2.424 3.951 0.047 1 0 "[ . 1]" 1 282 2 10 ILE MD 2 62 PHE QE 4.456 2.471 6.441 3.011 2.424 3.954 0.047 1 0 "[ . 1]" 1 283 1 9 GLU H 1 10 ILE MD 5.527 2.472 8.582 5.273 4.873 5.753 . 0 0 "[ . 1]" 1 284 2 9 GLU H 2 10 ILE MD 5.527 2.472 8.582 5.273 4.875 5.755 . 0 0 "[ . 1]" 1 285 1 10 ILE H 1 10 ILE MD 3.526 2.283 4.769 3.409 2.971 3.869 . 0 0 "[ . 1]" 1 286 2 10 ILE H 2 10 ILE MD 3.526 2.283 4.769 3.408 2.971 3.867 . 0 0 "[ . 1]" 1 287 1 7 LYS H 1 10 ILE MD 5.351 2.487 8.215 5.384 4.422 6.097 . 0 0 "[ . 1]" 1 288 2 7 LYS H 2 10 ILE MD 5.351 2.487 8.215 5.383 4.416 6.097 . 0 0 "[ . 1]" 1 289 1 27 ILE MG 1 35 LEU MD2 3.928 2.385 5.471 4.225 4.144 4.349 . 0 0 "[ . 1]" 1 290 2 27 ILE MG 2 35 LEU MD2 3.928 2.385 5.471 4.225 4.142 4.352 . 0 0 "[ . 1]" 1 291 1 9 GLU H 1 56 ILE MG 4.173 2.432 5.914 3.670 3.240 4.090 . 0 0 "[ . 1]" 1 292 2 9 GLU H 2 56 ILE MG 4.173 2.432 5.914 3.671 3.243 4.088 . 0 0 "[ . 1]" 1 293 1 53 VAL MG2 1 54 SER H 2.674 . 3.389 2.048 1.947 2.176 0.012 3 0 "[ . 1]" 1 294 2 53 VAL MG2 2 54 SER H 2.674 . 3.389 2.048 1.949 2.180 0.010 3 0 "[ . 1]" 1 295 1 8 GLU HB3 1 9 GLU H 3.831 2.364 5.298 2.661 2.242 3.486 0.122 1 0 "[ . 1]" 1 296 2 8 GLU HB3 2 9 GLU H 3.831 2.364 5.298 2.659 2.241 3.490 0.123 1 0 "[ . 1]" 1 297 1 25 LYS H 1 25 LYS HB2 4.376 2.461 6.291 3.484 3.411 3.539 . 0 0 "[ . 1]" 1 298 2 25 LYS H 2 25 LYS HB2 4.376 2.461 6.291 3.484 3.412 3.541 . 0 0 "[ . 1]" 1 299 1 25 LYS H 1 25 LYS HB3 4.148 2.428 5.868 4.039 4.019 4.073 . 0 0 "[ . 1]" 1 300 2 25 LYS H 2 25 LYS HB3 4.148 2.428 5.868 4.039 4.018 4.072 . 0 0 "[ . 1]" 1 301 1 44 GLU HB2 1 45 ALA H 3.473 2.267 4.679 3.898 3.772 3.967 . 0 0 "[ . 1]" 1 302 2 44 GLU HB2 2 45 ALA H 3.473 2.267 4.679 3.899 3.773 3.972 . 0 0 "[ . 1]" 1 303 1 44 GLU HB3 1 45 ALA H 3.466 2.264 4.668 2.738 2.400 3.044 . 0 0 "[ . 1]" 1 304 2 44 GLU HB3 2 45 ALA H 3.466 2.264 4.668 2.739 2.402 3.040 . 0 0 "[ . 1]" 1 305 1 51 GLU H 1 51 GLU HB3 3.855 2.369 5.341 3.445 2.693 3.641 . 0 0 "[ . 1]" 1 306 2 51 GLU H 2 51 GLU HB3 3.855 2.369 5.341 3.446 2.694 3.644 . 0 0 "[ . 1]" 1 307 1 26 GLU HB3 1 27 ILE H 4.772 2.495 7.049 4.159 3.826 4.314 . 0 0 "[ . 1]" 1 308 2 26 GLU HB3 2 27 ILE H 4.772 2.495 7.049 4.159 3.824 4.311 . 0 0 "[ . 1]" 1 309 1 26 GLU H 1 26 GLU HB3 4.111 2.421 5.801 3.582 3.467 3.629 . 0 0 "[ . 1]" 1 310 2 26 GLU H 2 26 GLU HB3 4.111 2.421 5.801 3.582 3.467 3.631 . 0 0 "[ . 1]" 1 311 1 23 GLU HB2 1 24 LYS H 3.046 2.118 3.974 3.541 2.467 3.873 . 0 0 "[ . 1]" 1 312 2 23 GLU HB2 2 24 LYS H 3.046 2.118 3.974 3.544 2.471 3.872 . 0 0 "[ . 1]" 1 313 1 23 GLU H 1 23 GLU HB3 2.795 2.014 3.576 2.761 2.436 3.599 0.023 7 0 "[ . 1]" 1 314 2 23 GLU H 2 23 GLU HB3 2.795 2.014 3.576 2.760 2.437 3.604 0.028 7 0 "[ . 1]" 1 315 1 23 GLU HB3 1 24 LYS H 3.359 2.231 4.487 2.673 2.288 3.704 . 0 0 "[ . 1]" 1 316 2 23 GLU HB3 2 24 LYS H 3.359 2.231 4.487 2.676 2.296 3.700 . 0 0 "[ . 1]" 1 317 1 7 LYS HD3 1 46 PHE HZ 3.502 2.276 4.728 4.605 3.284 4.775 0.047 10 0 "[ . 1]" 1 318 2 7 LYS HD3 2 46 PHE HZ 3.502 2.276 4.728 4.603 3.284 4.772 0.044 10 0 "[ . 1]" 1 319 1 7 LYS HD2 1 46 PHE HZ 3.287 2.207 4.367 3.832 3.094 4.404 0.037 3 0 "[ . 1]" 1 320 2 7 LYS HD2 2 46 PHE HZ 3.287 2.207 4.367 3.832 3.087 4.405 0.038 3 0 "[ . 1]" 1 321 1 49 GLU HB2 1 50 ARG H 4.473 2.472 6.474 3.787 3.675 3.950 . 0 0 "[ . 1]" 1 322 2 49 GLU HB2 2 50 ARG H 4.473 2.472 6.474 3.788 3.679 3.956 . 0 0 "[ . 1]" 1 323 1 49 GLU HB2 1 51 GLU H 4.182 2.433 5.931 3.483 3.168 3.712 . 0 0 "[ . 1]" 1 324 2 49 GLU HB2 2 51 GLU H 4.182 2.433 5.931 3.484 3.166 3.709 . 0 0 "[ . 1]" 1 325 1 49 GLU H 1 49 GLU HB2 3.037 2.115 3.959 2.441 2.380 2.476 . 0 0 "[ . 1]" 1 326 2 49 GLU H 2 49 GLU HB2 3.037 2.115 3.959 2.440 2.371 2.479 . 0 0 "[ . 1]" 1 327 1 8 GLU H 1 9 GLU HA 5.447 2.480 8.414 5.301 5.220 5.415 . 0 0 "[ . 1]" 1 328 2 8 GLU H 2 9 GLU HA 5.447 2.480 8.414 5.299 5.221 5.413 . 0 0 "[ . 1]" 1 329 1 9 GLU HA 1 10 ILE H 3.456 2.262 4.650 3.531 3.523 3.539 . 0 0 "[ . 1]" 1 330 2 9 GLU HA 2 10 ILE H 3.456 2.262 4.650 3.532 3.523 3.540 . 0 0 "[ . 1]" 1 331 1 9 GLU HA 1 12 ALA H 3.601 2.304 4.898 3.639 3.410 3.814 . 0 0 "[ . 1]" 1 332 2 9 GLU HA 2 12 ALA H 3.601 2.304 4.898 3.638 3.407 3.812 . 0 0 "[ . 1]" 1 333 1 50 ARG H 1 50 ARG HA 2.899 2.059 3.739 2.896 2.890 2.905 . 0 0 "[ . 1]" 1 334 2 50 ARG H 2 50 ARG HA 2.899 2.059 3.739 2.895 2.887 2.903 . 0 0 "[ . 1]" 1 335 1 50 ARG HA 1 53 VAL H 3.772 2.349 5.195 3.954 3.861 4.130 . 0 0 "[ . 1]" 1 336 2 50 ARG HA 2 53 VAL H 3.772 2.349 5.195 3.953 3.866 4.133 . 0 0 "[ . 1]" 1 337 1 43 SER HA 1 48 PHE QE 3.938 2.388 5.488 2.422 2.363 2.511 0.025 6 0 "[ . 1]" 1 338 2 43 SER HA 2 48 PHE QE 3.938 2.388 5.488 2.422 2.357 2.513 0.031 6 0 "[ . 1]" 1 339 1 43 SER HA 1 48 PHE HZ 4.023 2.404 5.642 3.470 3.127 3.965 . 0 0 "[ . 1]" 1 340 2 43 SER HA 2 48 PHE HZ 4.023 2.404 5.642 3.470 3.125 3.965 . 0 0 "[ . 1]" 1 341 1 34 SER HB3 1 35 LEU MD2 4.234 2.441 6.027 4.052 3.783 4.405 . 0 0 "[ . 1]" 1 342 2 34 SER HB3 2 35 LEU MD2 4.234 2.441 6.027 4.048 3.778 4.403 . 0 0 "[ . 1]" 1 343 1 43 SER HB2 1 48 PHE H 4.864 2.498 7.230 4.548 3.350 5.285 . 0 0 "[ . 1]" 1 344 2 43 SER HB2 2 48 PHE H 4.864 2.498 7.230 4.550 3.354 5.285 . 0 0 "[ . 1]" 1 345 1 43 SER HB2 1 48 PHE QD 4.976 2.500 7.452 5.126 4.315 5.486 . 0 0 "[ . 1]" 1 346 2 43 SER HB2 2 48 PHE QD 4.976 2.500 7.452 5.127 4.322 5.481 . 0 0 "[ . 1]" 1 347 1 54 SER HB3 1 55 GLY H 4.252 2.444 6.060 3.565 2.303 3.929 0.141 4 0 "[ . 1]" 1 348 2 54 SER HB3 2 55 GLY H 4.252 2.444 6.060 3.567 2.309 3.939 0.135 4 0 "[ . 1]" 1 349 1 54 SER H 1 54 SER HB3 3.065 2.126 4.004 2.713 2.615 2.784 . 0 0 "[ . 1]" 1 350 2 54 SER H 2 54 SER HB3 3.065 2.126 4.004 2.716 2.627 2.786 . 0 0 "[ . 1]" 1 351 1 54 SER H 1 54 SER HA 2.809 2.020 3.598 2.796 2.776 2.813 . 0 0 "[ . 1]" 1 352 2 54 SER H 2 54 SER HA 2.809 2.020 3.598 2.797 2.777 2.810 . 0 0 "[ . 1]" 1 353 1 8 GLU HA 1 48 PHE HZ 4.438 2.468 6.408 5.818 5.477 6.069 . 0 0 "[ . 1]" 1 354 2 8 GLU HA 2 48 PHE HZ 4.438 2.468 6.408 5.817 5.473 6.068 . 0 0 "[ . 1]" 1 355 1 8 GLU HA 1 11 ALA H 3.418 2.249 4.587 3.648 3.455 3.899 . 0 0 "[ . 1]" 1 356 2 8 GLU HA 2 11 ALA H 3.418 2.249 4.587 3.648 3.456 3.898 . 0 0 "[ . 1]" 1 357 1 50 ARG QD 1 50 ARG HE 2.854 2.039 3.669 2.446 2.384 2.497 . 0 0 "[ . 1]" 1 358 2 50 ARG QD 2 50 ARG HE 2.854 2.039 3.669 2.446 2.386 2.495 . 0 0 "[ . 1]" 1 359 1 40 ASP H 1 50 ARG QD 5.100 2.499 7.701 4.307 3.790 5.054 . 0 0 "[ . 1]" 1 360 2 40 ASP H 2 50 ARG QD 5.100 2.499 7.701 4.306 3.787 5.054 . 0 0 "[ . 1]" 1 361 1 50 ARG QD 1 50 ARG QG 2.374 . 2.938 1.994 1.976 2.009 . 0 0 "[ . 1]" 1 362 2 50 ARG QD 2 50 ARG QG 2.374 . 2.938 1.993 1.976 2.009 . 0 0 "[ . 1]" 1 363 1 39 MET HB2 1 50 ARG QD 3.617 2.309 4.925 3.448 2.705 4.540 . 0 0 "[ . 1]" 1 364 2 39 MET HB2 2 50 ARG QD 3.617 2.309 4.925 3.448 2.701 4.542 . 0 0 "[ . 1]" 1 365 1 7 LYS HE3 2 21 ILE MG 3.282 2.282 4.359 3.891 3.031 5.052 0.693 4 1 "[ +. 1]" 1 366 1 21 ILE MG 2 7 LYS HE3 3.282 2.282 4.359 3.886 3.038 5.079 0.720 4 1 "[ +. 1]" 1 367 1 7 LYS HE2 2 27 ILE MG 4.929 2.500 7.358 5.554 4.588 6.417 . 0 0 "[ . 1]" 1 368 1 27 ILE MG 2 7 LYS HE2 4.929 2.500 7.358 5.553 4.582 6.365 . 0 0 "[ . 1]" 1 369 1 7 LYS HE3 2 27 ILE MG 4.131 2.425 5.837 5.229 4.202 6.637 0.800 4 1 "[ +. 1]" 1 370 1 27 ILE MG 2 7 LYS HE3 4.131 2.425 5.837 5.227 4.134 6.679 0.842 4 1 "[ +. 1]" 1 371 1 7 LYS HE2 2 26 GLU HB3 4.047 2.409 5.685 3.934 2.197 5.749 0.212 3 0 "[ . 1]" 1 372 1 26 GLU HB3 2 7 LYS HE2 4.047 2.409 5.685 3.921 2.191 5.649 0.218 3 0 "[ . 1]" 1 373 1 7 LYS HD3 1 7 LYS HE2 2.801 2.017 3.585 2.834 2.390 3.017 . 0 0 "[ . 1]" 1 374 2 7 LYS HD3 2 7 LYS HE2 2.801 2.017 3.585 2.835 2.392 3.017 . 0 0 "[ . 1]" 1 375 1 7 LYS HE2 1 7 LYS HG2 3.059 2.123 3.995 3.110 2.720 3.660 . 0 0 "[ . 1]" 1 376 2 7 LYS HE2 2 7 LYS HG2 3.059 2.123 3.995 3.110 2.720 3.660 . 0 0 "[ . 1]" 1 377 1 7 LYS HE3 2 26 GLU HB3 3.271 2.201 4.341 2.976 2.142 4.337 0.059 2 0 "[ . 1]" 1 378 1 26 GLU HB3 2 7 LYS HE3 3.271 2.201 4.341 2.968 2.146 4.248 0.055 2 0 "[ . 1]" 1 379 1 7 LYS HD3 1 7 LYS HE3 2.605 . 3.284 2.474 2.449 2.512 . 0 0 "[ . 1]" 1 380 2 7 LYS HD3 2 7 LYS HE3 2.605 . 3.284 2.475 2.449 2.513 . 0 0 "[ . 1]" 1 381 1 7 LYS HD2 1 7 LYS HE3 2.530 . 3.170 2.585 2.375 3.015 . 0 0 "[ . 1]" 1 382 2 7 LYS HD2 2 7 LYS HE3 2.530 . 3.170 2.585 2.378 3.015 . 0 0 "[ . 1]" 1 383 1 7 LYS HE3 1 7 LYS HG2 3.969 2.394 5.544 3.335 2.404 3.769 . 0 0 "[ . 1]" 1 384 2 7 LYS HE3 2 7 LYS HG2 3.969 2.394 5.544 3.335 2.403 3.768 . 0 0 "[ . 1]" 1 385 1 25 LYS HE2 1 25 LYS HG2 2.501 . 3.127 2.837 2.417 3.715 0.588 1 2 "[+ .- 1]" 1 386 2 25 LYS HE2 2 25 LYS HG2 2.501 . 3.127 2.837 2.414 3.719 0.592 1 2 "[+ .- 1]" 1 387 1 7 LYS HE2 1 46 PHE HZ 4.752 2.494 7.010 5.882 4.544 6.630 . 0 0 "[ . 1]" 1 388 2 7 LYS HE2 2 46 PHE HZ 4.752 2.494 7.010 5.884 4.553 6.634 . 0 0 "[ . 1]" 1 389 1 7 LYS HE3 1 46 PHE HZ 4.741 2.493 6.989 6.030 5.081 7.022 0.033 5 0 "[ . 1]" 1 390 2 7 LYS HE3 2 46 PHE HZ 4.741 2.493 6.989 6.029 5.072 7.021 0.032 5 0 "[ . 1]" 1 391 1 7 LYS HE2 1 46 PHE QD 4.633 2.487 6.779 4.209 3.020 5.866 . 0 0 "[ . 1]" 1 392 2 7 LYS HE2 2 46 PHE QD 4.633 2.487 6.779 4.210 3.019 5.866 . 0 0 "[ . 1]" 1 393 1 7 LYS HE3 1 46 PHE QD 5.098 2.499 7.697 5.059 4.313 6.101 . 0 0 "[ . 1]" 1 394 2 7 LYS HE3 2 46 PHE QD 5.098 2.499 7.697 5.058 4.311 6.099 . 0 0 "[ . 1]" 1 395 1 11 ALA MB 1 46 PHE HB3 3.800 2.356 5.244 4.115 3.738 4.306 . 0 0 "[ . 1]" 1 396 2 11 ALA MB 2 46 PHE HB3 3.800 2.356 5.244 4.116 3.736 4.306 . 0 0 "[ . 1]" 1 397 1 8 GLU HG2 1 46 PHE HB3 5.373 2.486 8.260 5.009 4.047 6.168 . 0 0 "[ . 1]" 1 398 2 8 GLU HG2 2 46 PHE HB3 5.373 2.486 8.260 5.010 4.043 6.160 . 0 0 "[ . 1]" 1 399 1 8 GLU HG3 1 46 PHE HB3 3.438 2.256 4.620 3.633 2.395 5.341 0.721 9 1 "[ . +1]" 1 400 2 8 GLU HG3 2 46 PHE HB3 3.438 2.256 4.620 3.636 2.390 5.347 0.727 9 1 "[ . +1]" 1 401 1 8 GLU HB3 1 8 GLU HG2 3.081 2.132 4.030 2.502 2.353 3.009 . 0 0 "[ . 1]" 1 402 2 8 GLU HB3 2 8 GLU HG2 3.081 2.132 4.030 2.502 2.351 3.009 . 0 0 "[ . 1]" 1 403 1 8 GLU HB2 1 8 GLU HG3 3.074 2.129 4.019 2.476 2.357 3.004 . 0 0 "[ . 1]" 1 404 2 8 GLU HB2 2 8 GLU HG3 3.074 2.129 4.019 2.476 2.359 3.005 . 0 0 "[ . 1]" 1 405 1 42 ILE MD 1 42 ILE HG13 2.141 . 2.599 2.120 2.119 2.120 . 0 0 "[ . 1]" 1 406 2 42 ILE MD 2 42 ILE HG13 2.141 . 2.599 2.120 2.119 2.122 . 0 0 "[ . 1]" 1 407 1 42 ILE HB 1 42 ILE MD 2.291 . 2.816 2.399 2.379 2.413 . 0 0 "[ . 1]" 1 408 2 42 ILE HB 2 42 ILE MD 2.291 . 2.816 2.399 2.378 2.415 . 0 0 "[ . 1]" 1 409 1 14 ILE HB 1 42 ILE MD 3.026 2.111 3.941 3.570 3.437 3.737 . 0 0 "[ . 1]" 1 410 2 14 ILE HB 2 42 ILE MD 3.026 2.111 3.941 3.569 3.437 3.736 . 0 0 "[ . 1]" 1 411 1 14 ILE MG 1 42 ILE MD 1.580 . 6.000 2.174 1.971 2.317 . 0 0 "[ . 1]" 1 412 2 14 ILE MG 2 42 ILE MD 1.580 . 6.000 2.174 1.969 2.317 . 0 0 "[ . 1]" 1 413 1 42 ILE MD 1 42 ILE HG12 2.137 . 2.594 2.118 2.116 2.119 . 0 0 "[ . 1]" 1 414 2 42 ILE MD 2 42 ILE HG12 2.137 . 2.594 2.118 2.116 2.119 . 0 0 "[ . 1]" 1 415 1 14 ILE MD 1 42 ILE MD 2.987 2.095 3.879 3.581 3.398 3.735 . 0 0 "[ . 1]" 1 416 2 14 ILE MD 2 42 ILE MD 2.987 2.095 3.879 3.581 3.395 3.734 . 0 0 "[ . 1]" 1 417 1 42 ILE HA 1 42 ILE MD 3.797 2.355 5.239 3.858 3.842 3.884 . 0 0 "[ . 1]" 1 418 2 42 ILE HA 2 42 ILE MD 3.797 2.355 5.239 3.857 3.843 3.882 . 0 0 "[ . 1]" 1 419 1 15 VAL HA 1 42 ILE MD 3.432 2.254 4.610 3.604 3.519 3.725 . 0 0 "[ . 1]" 1 420 2 15 VAL HA 2 42 ILE MD 3.432 2.254 4.610 3.603 3.521 3.725 . 0 0 "[ . 1]" 1 421 1 27 ILE MD 1 32 ALA HA 2.611 . 3.293 3.144 2.986 3.283 . 0 0 "[ . 1]" 1 422 2 27 ILE MD 2 32 ALA HA 2.611 . 3.293 3.146 2.988 3.284 . 0 0 "[ . 1]" 1 423 1 27 ILE MD 1 31 GLY HA3 2.472 . 3.083 2.295 2.111 2.452 . 0 0 "[ . 1]" 1 424 2 27 ILE MD 2 31 GLY HA3 2.472 . 3.083 2.296 2.106 2.457 . 0 0 "[ . 1]" 1 425 1 27 ILE MD 1 35 LEU MD2 3.230 2.187 4.273 3.096 3.052 3.147 . 0 0 "[ . 1]" 1 426 2 27 ILE MD 2 35 LEU MD2 3.230 2.187 4.273 3.096 3.052 3.148 . 0 0 "[ . 1]" 1 427 1 42 ILE MD 2 18 PHE HZ 2.378 . 2.943 2.496 2.334 2.653 . 0 0 "[ . 1]" 1 428 1 18 PHE HZ 2 42 ILE MD 2.378 . 2.943 2.492 2.319 2.639 . 0 0 "[ . 1]" 1 429 1 42 ILE H 1 42 ILE MD 3.701 2.331 5.071 3.509 3.413 3.554 . 0 0 "[ . 1]" 1 430 2 42 ILE H 2 42 ILE MD 3.701 2.331 5.071 3.509 3.414 3.556 . 0 0 "[ . 1]" 1 431 1 70 ILE H 1 70 ILE MD 4.180 2.433 5.927 3.842 3.270 4.488 . 0 0 "[ . 1]" 1 432 2 70 ILE H 2 70 ILE MD 4.180 2.433 5.927 3.841 3.270 4.484 . 0 0 "[ . 1]" 1 433 1 66 HIS H 1 70 ILE MD 4.451 2.470 6.432 3.914 2.384 5.785 0.086 4 0 "[ . 1]" 1 434 2 66 HIS H 2 70 ILE MD 4.451 2.470 6.432 3.914 2.382 5.797 0.088 4 0 "[ . 1]" 1 435 1 21 ILE MG 1 27 ILE MD 2.306 . 6.000 3.196 3.137 3.301 . 0 0 "[ . 1]" 1 436 2 21 ILE MG 2 27 ILE MD 2.306 . 6.000 3.197 3.136 3.301 . 0 0 "[ . 1]" 1 437 1 27 ILE MD 1 27 ILE MG 1.830 . 2.165 1.954 1.918 1.982 . 0 0 "[ . 1]" 1 438 2 27 ILE MD 2 27 ILE MG 1.830 . 2.165 1.954 1.919 1.982 . 0 0 "[ . 1]" 1 439 1 27 ILE MD 1 27 ILE HG12 1.849 . 2.191 2.117 2.116 2.118 . 0 0 "[ . 1]" 1 440 2 27 ILE MD 2 27 ILE HG12 1.849 . 2.191 2.118 2.116 2.120 . 0 0 "[ . 1]" 1 441 1 70 ILE MD 1 70 ILE HG13 2.214 . 2.704 2.119 2.114 2.125 . 0 0 "[ . 1]" 1 442 2 70 ILE MD 2 70 ILE HG13 2.214 . 2.704 2.119 2.112 2.126 . 0 0 "[ . 1]" 1 443 1 65 GLN QB 1 70 ILE MD 2.908 2.063 3.753 3.041 1.935 3.721 0.128 9 0 "[ . 1]" 1 444 2 65 GLN QB 2 70 ILE MD 2.908 2.063 3.753 3.039 1.935 3.719 0.128 9 0 "[ . 1]" 1 445 1 70 ILE MD 1 70 ILE HG12 2.132 . 2.586 2.118 2.112 2.123 . 0 0 "[ . 1]" 1 446 2 70 ILE MD 2 70 ILE HG12 2.132 . 2.586 2.118 2.113 2.123 . 0 0 "[ . 1]" 1 447 1 10 ILE MD 1 10 ILE QG 2.187 . 2.665 1.886 1.884 1.889 . 0 0 "[ . 1]" 1 448 2 10 ILE MD 2 10 ILE QG 2.187 . 2.665 1.886 1.883 1.889 . 0 0 "[ . 1]" 1 449 1 5 ALA MB 1 10 ILE MD 1.841 . 6.000 2.439 1.798 3.410 0.002 4 0 "[ . 1]" 1 450 2 5 ALA MB 2 10 ILE MD 1.841 . 6.000 2.438 1.800 3.413 . 0 0 "[ . 1]" 1 451 1 21 ILE MD 1 21 ILE HG12 2.014 . 2.420 2.119 2.117 2.120 . 0 0 "[ . 1]" 1 452 2 21 ILE MD 2 21 ILE HG12 2.014 . 2.420 2.119 2.118 2.121 . 0 0 "[ . 1]" 1 453 1 21 ILE MD 1 21 ILE HG13 1.994 . 2.392 2.120 2.119 2.121 . 0 0 "[ . 1]" 1 454 2 21 ILE MD 2 21 ILE HG13 1.994 . 2.392 2.120 2.119 2.122 . 0 0 "[ . 1]" 1 455 1 7 LYS HA 1 10 ILE MD 3.680 2.326 5.034 3.825 2.602 5.009 . 0 0 "[ . 1]" 1 456 2 7 LYS HA 2 10 ILE MD 3.680 2.326 5.034 3.825 2.602 5.009 . 0 0 "[ . 1]" 1 457 1 10 ILE HA 1 10 ILE MD 3.026 2.110 3.942 2.939 2.080 3.824 0.030 9 0 "[ . 1]" 1 458 2 10 ILE HA 2 10 ILE MD 3.026 2.110 3.942 2.939 2.082 3.821 0.028 9 0 "[ . 1]" 1 459 1 21 ILE MD 2 7 LYS HE3 3.912 2.382 5.442 4.299 2.822 4.939 . 0 0 "[ . 1]" 1 460 1 7 LYS HE3 2 21 ILE MD 3.912 2.382 5.442 4.305 2.827 4.935 . 0 0 "[ . 1]" 1 461 1 18 PHE HA 1 21 ILE MD 3.810 2.358 5.262 4.272 4.106 4.575 . 0 0 "[ . 1]" 1 462 2 18 PHE HA 2 21 ILE MD 3.810 2.358 5.262 4.273 4.107 4.573 . 0 0 "[ . 1]" 1 463 1 21 ILE MD 2 7 LYS HA 4.384 2.465 6.306 3.810 3.114 4.217 . 0 0 "[ . 1]" 1 464 1 7 LYS HA 2 21 ILE MD 4.384 2.465 6.306 3.816 3.150 4.219 . 0 0 "[ . 1]" 1 465 1 20 SER HB3 1 21 ILE MD 4.734 2.493 6.975 3.794 3.501 4.358 . 0 0 "[ . 1]" 1 466 2 20 SER HB3 2 21 ILE MD 4.734 2.493 6.975 3.792 3.499 4.335 . 0 0 "[ . 1]" 1 467 1 53 VAL HA 1 56 ILE MD 2.761 . 3.523 2.705 2.432 2.824 . 0 0 "[ . 1]" 1 468 2 53 VAL HA 2 56 ILE MD 2.761 . 3.523 2.705 2.423 2.823 . 0 0 "[ . 1]" 1 469 1 48 PHE HB3 1 56 ILE MD 3.348 2.227 4.469 3.580 3.221 4.164 . 0 0 "[ . 1]" 1 470 2 48 PHE HB3 2 56 ILE MD 3.348 2.227 4.469 3.581 3.223 4.166 . 0 0 "[ . 1]" 1 471 1 48 PHE HB2 1 56 ILE MD 2.836 2.032 3.640 2.791 2.257 3.235 . 0 0 "[ . 1]" 1 472 2 48 PHE HB2 2 56 ILE MD 2.836 2.032 3.640 2.790 2.256 3.236 . 0 0 "[ . 1]" 1 473 1 56 ILE HA 1 56 ILE MD 4.231 2.441 6.021 3.865 3.844 3.889 . 0 0 "[ . 1]" 1 474 2 56 ILE HA 2 56 ILE MD 4.231 2.441 6.021 3.865 3.843 3.888 . 0 0 "[ . 1]" 1 475 1 52 ALA MB 1 56 ILE MD 2.739 . 3.489 2.921 2.668 3.253 . 0 0 "[ . 1]" 1 476 2 52 ALA MB 2 56 ILE MD 2.739 . 3.489 2.922 2.668 3.253 . 0 0 "[ . 1]" 1 477 1 56 ILE MD 1 56 ILE HG13 2.196 . 2.678 2.120 2.120 2.121 . 0 0 "[ . 1]" 1 478 2 56 ILE MD 2 56 ILE HG13 2.196 . 2.678 2.120 2.120 2.121 . 0 0 "[ . 1]" 1 479 1 48 PHE QD 1 56 ILE MD 3.507 2.277 4.737 2.749 2.334 3.082 . 0 0 "[ . 1]" 1 480 2 48 PHE QD 2 56 ILE MD 3.507 2.277 4.737 2.748 2.333 3.084 . 0 0 "[ . 1]" 1 481 1 49 GLU H 1 56 ILE MD 3.805 2.357 5.253 4.136 3.655 4.317 . 0 0 "[ . 1]" 1 482 2 49 GLU H 2 56 ILE MD 3.805 2.357 5.253 4.138 3.648 4.315 . 0 0 "[ . 1]" 1 483 1 27 ILE HA 1 27 ILE MG 2.920 2.067 3.773 3.211 3.208 3.215 . 0 0 "[ . 1]" 1 484 2 27 ILE HA 2 27 ILE MG 2.920 2.067 3.773 3.211 3.206 3.215 . 0 0 "[ . 1]" 1 485 1 25 LYS HA 1 27 ILE MG 3.226 2.185 4.267 3.550 3.328 3.904 . 0 0 "[ . 1]" 1 486 2 25 LYS HA 2 27 ILE MG 3.226 2.185 4.267 3.552 3.325 3.905 . 0 0 "[ . 1]" 1 487 1 27 ILE MG 1 32 ALA HA 2.364 . 2.923 2.379 2.232 2.578 . 0 0 "[ . 1]" 1 488 2 27 ILE MG 2 32 ALA HA 2.364 . 2.923 2.380 2.232 2.578 . 0 0 "[ . 1]" 1 489 1 22 VAL HA 1 27 ILE MG 2.444 . 3.041 2.790 2.681 2.895 . 0 0 "[ . 1]" 1 490 2 22 VAL HA 2 27 ILE MG 2.444 . 3.041 2.790 2.680 2.894 . 0 0 "[ . 1]" 1 491 1 14 ILE HB 1 14 ILE MD 2.427 . 3.016 2.430 2.381 2.460 . 0 0 "[ . 1]" 1 492 2 14 ILE HB 2 14 ILE MD 2.427 . 3.016 2.430 2.383 2.459 . 0 0 "[ . 1]" 1 493 1 14 ILE MD 1 14 ILE HG13 2.169 . 2.639 2.116 2.114 2.117 . 0 0 "[ . 1]" 1 494 2 14 ILE MD 2 14 ILE HG13 2.169 . 2.639 2.116 2.113 2.119 . 0 0 "[ . 1]" 1 495 1 27 ILE HB 1 27 ILE MG 1.858 . 2.203 2.125 2.123 2.128 . 0 0 "[ . 1]" 1 496 2 27 ILE HB 2 27 ILE MG 1.858 . 2.203 2.125 2.123 2.128 . 0 0 "[ . 1]" 1 497 1 11 ALA MB 1 14 ILE MD 3.167 2.164 4.170 3.328 3.168 3.458 . 0 0 "[ . 1]" 1 498 2 11 ALA MB 2 14 ILE MD 3.167 2.164 4.170 3.328 3.168 3.460 . 0 0 "[ . 1]" 1 499 1 27 ILE MG 2 7 LYS HD2 3.898 2.379 5.417 4.687 4.308 4.858 . 0 0 "[ . 1]" 1 500 1 7 LYS HD2 2 27 ILE MG 3.898 2.379 5.417 4.687 4.359 4.863 . 0 0 "[ . 1]" 1 501 1 21 ILE HB 1 27 ILE MG 3.424 2.252 4.596 3.873 3.768 3.989 . 0 0 "[ . 1]" 1 502 2 21 ILE HB 2 27 ILE MG 3.424 2.252 4.596 3.873 3.771 3.988 . 0 0 "[ . 1]" 1 503 1 10 ILE MD 1 10 ILE MG 2.173 . 2.645 1.922 1.811 1.974 . 0 0 "[ . 1]" 1 504 2 10 ILE MD 2 10 ILE MG 2.173 . 2.645 1.922 1.811 1.974 . 0 0 "[ . 1]" 1 505 1 10 ILE MG 1 14 ILE MD 1.673 . 1.953 1.973 1.911 2.036 0.083 3 0 "[ . 1]" 1 506 2 10 ILE MG 2 14 ILE MD 1.673 . 1.953 1.974 1.910 2.036 0.083 3 0 "[ . 1]" 1 507 1 10 ILE HB 1 10 ILE MG 1.939 . 2.315 2.130 2.127 2.134 . 0 0 "[ . 1]" 1 508 2 10 ILE HB 2 10 ILE MG 1.939 . 2.315 2.130 2.127 2.133 . 0 0 "[ . 1]" 1 509 1 12 ALA MB 1 57 LEU HA 3.823 2.362 5.284 4.101 3.908 4.366 . 0 0 "[ . 1]" 1 510 2 12 ALA MB 2 57 LEU HA 3.823 2.362 5.284 4.100 3.906 4.366 . 0 0 "[ . 1]" 1 511 1 9 GLU HA 1 12 ALA MB 2.438 . 3.032 2.835 2.665 3.020 . 0 0 "[ . 1]" 1 512 2 9 GLU HA 2 12 ALA MB 2.438 . 3.032 2.835 2.666 3.020 . 0 0 "[ . 1]" 1 513 1 12 ALA MB 1 53 VAL HA 2.812 2.021 3.603 2.134 2.015 2.255 0.006 2 0 "[ . 1]" 1 514 2 12 ALA MB 2 53 VAL HA 2.812 2.021 3.603 2.134 2.014 2.252 0.007 2 0 "[ . 1]" 1 515 1 10 ILE HA 1 10 ILE MG 2.381 . 2.948 2.395 2.320 2.496 . 0 0 "[ . 1]" 1 516 2 10 ILE HA 2 10 ILE MG 2.381 . 2.948 2.395 2.318 2.496 . 0 0 "[ . 1]" 1 517 1 7 LYS HA 1 10 ILE MG 4.234 2.442 6.026 4.158 3.898 4.406 . 0 0 "[ . 1]" 1 518 2 7 LYS HA 2 10 ILE MG 4.234 2.442 6.026 4.159 3.897 4.404 . 0 0 "[ . 1]" 1 519 1 21 ILE HA 1 21 ILE MG 2.189 . 2.668 2.464 2.425 2.512 . 0 0 "[ . 1]" 1 520 2 21 ILE HA 2 21 ILE MG 2.189 . 2.668 2.463 2.424 2.510 . 0 0 "[ . 1]" 1 521 1 21 ILE MG 1 22 VAL HA 3.112 2.143 4.081 3.261 3.154 3.375 . 0 0 "[ . 1]" 1 522 2 21 ILE MG 2 22 VAL HA 3.112 2.143 4.081 3.261 3.155 3.378 . 0 0 "[ . 1]" 1 523 1 21 ILE MG 1 26 GLU HB3 3.112 2.144 4.080 3.212 2.363 3.659 . 0 0 "[ . 1]" 1 524 2 21 ILE MG 2 26 GLU HB3 3.112 2.144 4.080 3.212 2.362 3.665 . 0 0 "[ . 1]" 1 525 1 21 ILE HB 1 21 ILE MG 1.978 . 2.369 2.130 2.126 2.133 . 0 0 "[ . 1]" 1 526 2 21 ILE HB 2 21 ILE MG 1.978 . 2.369 2.129 2.125 2.133 . 0 0 "[ . 1]" 1 527 1 21 ILE MG 1 26 GLU HB2 2.178 . 2.652 2.087 1.899 2.404 . 0 0 "[ . 1]" 1 528 2 21 ILE MG 2 26 GLU HB2 2.178 . 2.652 2.086 1.897 2.407 . 0 0 "[ . 1]" 1 529 1 21 ILE MG 1 27 ILE HB 1.990 . 2.386 2.447 2.402 2.506 0.120 9 0 "[ . 1]" 1 530 2 21 ILE MG 2 27 ILE HB 1.990 . 2.386 2.447 2.401 2.506 0.120 9 0 "[ . 1]" 1 531 1 21 ILE HG12 1 21 ILE MG 2.794 2.014 3.574 3.203 3.201 3.205 . 0 0 "[ . 1]" 1 532 2 21 ILE HG12 2 21 ILE MG 2.794 2.014 3.574 3.203 3.200 3.207 . 0 0 "[ . 1]" 1 533 1 12 ALA MB 1 56 ILE MG 2.081 . 6.000 2.434 2.132 2.710 . 0 0 "[ . 1]" 1 534 2 12 ALA MB 2 56 ILE MG 2.081 . 6.000 2.435 2.134 2.710 . 0 0 "[ . 1]" 1 535 1 56 ILE MD 1 56 ILE MG 1.987 . 2.382 1.960 1.920 1.998 . 0 0 "[ . 1]" 1 536 2 56 ILE MD 2 56 ILE MG 1.987 . 2.382 1.960 1.924 1.993 . 0 0 "[ . 1]" 1 537 1 12 ALA MB 1 56 ILE MD 2.332 . 2.876 2.220 2.114 2.434 . 0 0 "[ . 1]" 1 538 2 12 ALA MB 2 56 ILE MD 2.332 . 2.876 2.221 2.115 2.439 . 0 0 "[ . 1]" 1 539 1 12 ALA MB 1 53 VAL HB 2.815 2.023 3.607 2.773 2.475 3.076 . 0 0 "[ . 1]" 1 540 2 12 ALA MB 2 53 VAL HB 2.815 2.023 3.607 2.773 2.472 3.076 . 0 0 "[ . 1]" 1 541 1 53 VAL HA 1 56 ILE MG 4.101 2.419 5.783 4.250 4.034 4.451 . 0 0 "[ . 1]" 1 542 2 53 VAL HA 2 56 ILE MG 4.101 2.419 5.783 4.250 4.033 4.454 . 0 0 "[ . 1]" 1 543 1 8 GLU HG2 1 56 ILE MG 3.169 2.165 4.173 2.911 2.146 4.956 0.783 9 1 "[ . +1]" 1 544 2 8 GLU HG2 2 56 ILE MG 3.169 2.165 4.173 2.911 2.140 4.957 0.784 9 1 "[ . +1]" 1 545 1 9 GLU HG2 1 56 ILE MG 2.319 . 2.857 2.527 1.965 2.949 0.092 5 0 "[ . 1]" 1 546 2 9 GLU HG2 2 56 ILE MG 2.319 . 2.857 2.526 1.964 2.943 0.086 5 0 "[ . 1]" 1 547 1 9 GLU HG3 1 56 ILE MG 3.139 2.154 4.124 3.342 2.559 3.791 . 0 0 "[ . 1]" 1 548 2 9 GLU HG3 2 56 ILE MG 3.139 2.154 4.124 3.341 2.558 3.787 . 0 0 "[ . 1]" 1 549 1 9 GLU HB3 1 56 ILE MG 3.437 2.256 4.618 3.360 2.785 3.703 . 0 0 "[ . 1]" 1 550 2 9 GLU HB3 2 56 ILE MG 3.437 2.256 4.618 3.358 2.782 3.700 . 0 0 "[ . 1]" 1 551 1 56 ILE MG 1 59 LYS QE 3.849 2.368 5.330 3.790 2.230 5.164 0.138 2 0 "[ . 1]" 1 552 2 56 ILE MG 2 59 LYS QE 3.849 2.368 5.330 3.791 2.230 5.169 0.138 2 0 "[ . 1]" 1 553 1 14 ILE MG 1 15 VAL QG 2.846 2.036 3.656 2.864 2.777 3.077 . 0 0 "[ . 1]" 1 554 2 14 ILE MG 2 15 VAL QG 2.846 2.036 3.656 2.864 2.777 3.078 . 0 0 "[ . 1]" 1 555 1 14 ILE HB 1 14 ILE MG 2.032 . 2.445 2.126 2.125 2.127 . 0 0 "[ . 1]" 1 556 2 14 ILE HB 2 14 ILE MG 2.032 . 2.445 2.126 2.125 2.127 . 0 0 "[ . 1]" 1 557 1 14 ILE MG 1 15 VAL HA 3.258 2.196 4.320 3.038 2.940 3.199 . 0 0 "[ . 1]" 1 558 2 14 ILE MG 2 15 VAL HA 3.258 2.196 4.320 3.039 2.942 3.196 . 0 0 "[ . 1]" 1 559 1 42 ILE HA 1 42 ILE MG 2.507 . 3.135 2.421 2.408 2.446 . 0 0 "[ . 1]" 1 560 2 42 ILE HA 2 42 ILE MG 2.507 . 3.135 2.421 2.408 2.443 . 0 0 "[ . 1]" 1 561 1 42 ILE HA 1 45 ALA MB 2.455 . 3.058 2.703 2.515 2.860 . 0 0 "[ . 1]" 1 562 2 42 ILE HA 2 45 ALA MB 2.455 . 3.058 2.703 2.516 2.862 . 0 0 "[ . 1]" 1 563 1 45 ALA MB 2 31 GLY HA2 3.047 2.371 3.976 2.753 2.601 3.025 . 0 0 "[ . 1]" 1 564 1 31 GLY HA2 2 45 ALA MB 3.047 2.371 3.976 2.755 2.591 3.036 . 0 0 "[ . 1]" 1 565 1 45 ALA MB 2 31 GLY HA3 3.506 2.277 4.735 3.004 2.849 3.120 . 0 0 "[ . 1]" 1 566 1 31 GLY HA3 2 45 ALA MB 3.506 2.277 4.735 3.004 2.847 3.137 . 0 0 "[ . 1]" 1 567 1 45 ALA MB 1 46 PHE HA 3.872 2.373 5.371 3.847 3.812 3.925 . 0 0 "[ . 1]" 1 568 2 45 ALA MB 2 46 PHE HA 3.872 2.373 5.371 3.846 3.808 3.925 . 0 0 "[ . 1]" 1 569 1 41 CYS HA 1 45 ALA MB 4.232 2.441 6.023 4.634 4.405 4.897 . 0 0 "[ . 1]" 1 570 2 41 CYS HA 2 45 ALA MB 4.232 2.441 6.023 4.633 4.406 4.900 . 0 0 "[ . 1]" 1 571 1 39 MET HA 1 42 ILE MG 4.015 2.403 5.627 3.921 3.813 4.023 . 0 0 "[ . 1]" 1 572 2 39 MET HA 2 42 ILE MG 4.015 2.403 5.627 3.922 3.814 4.025 . 0 0 "[ . 1]" 1 573 1 15 VAL QG 1 42 ILE MG 1.814 . 2.143 2.164 2.146 2.184 0.041 3 0 "[ . 1]" 1 574 2 15 VAL QG 2 42 ILE MG 1.814 . 2.143 2.164 2.147 2.184 0.041 3 0 "[ . 1]" 1 575 1 42 ILE MG 2 38 ALA MB 3.111 2.143 4.079 4.112 4.055 4.166 0.087 2 0 "[ . 1]" 1 576 1 38 ALA MB 2 42 ILE MG 3.111 2.143 4.079 4.114 4.072 4.177 0.098 2 0 "[ . 1]" 1 577 1 45 ALA MB 2 35 LEU HG 2.052 . 2.473 2.439 2.304 2.494 0.021 2 0 "[ . 1]" 1 578 1 35 LEU HG 2 45 ALA MB 2.052 . 2.473 2.431 2.308 2.500 0.027 2 0 "[ . 1]" 1 579 1 42 ILE HG13 1 42 ILE MG 3.140 2.154 4.126 3.199 3.189 3.203 . 0 0 "[ . 1]" 1 580 2 42 ILE HG13 2 42 ILE MG 3.140 2.154 4.126 3.200 3.189 3.204 . 0 0 "[ . 1]" 1 581 1 42 ILE HB 1 42 ILE MG 2.007 . 2.410 2.128 2.125 2.129 . 0 0 "[ . 1]" 1 582 2 42 ILE HB 2 42 ILE MG 2.007 . 2.410 2.129 2.126 2.131 . 0 0 "[ . 1]" 1 583 1 42 ILE MG 1 46 PHE HB2 3.992 2.398 5.586 4.116 3.841 4.276 . 0 0 "[ . 1]" 1 584 2 42 ILE MG 2 46 PHE HB2 3.992 2.398 5.586 4.116 3.841 4.276 . 0 0 "[ . 1]" 1 585 1 15 VAL HB 1 42 ILE MG 4.124 2.423 5.825 4.733 4.711 4.759 . 0 0 "[ . 1]" 1 586 2 15 VAL HB 2 42 ILE MG 4.124 2.423 5.825 4.733 4.710 4.757 . 0 0 "[ . 1]" 1 587 1 14 ILE MD 1 42 ILE MG 3.242 2.191 4.293 3.671 3.447 3.807 . 0 0 "[ . 1]" 1 588 2 14 ILE MD 2 42 ILE MG 3.242 2.191 4.293 3.671 3.445 3.809 . 0 0 "[ . 1]" 1 589 1 45 ALA MB 2 27 ILE MD 1.786 . 2.105 2.104 2.015 2.163 0.058 4 0 "[ . 1]" 1 590 1 27 ILE MD 2 45 ALA MB 1.786 . 2.105 2.101 2.012 2.158 0.053 6 0 "[ . 1]" 1 591 1 45 ALA MB 2 35 LEU MD1 2.483 . 3.100 3.129 3.115 3.155 0.055 6 0 "[ . 1]" 1 592 1 35 LEU MD1 2 45 ALA MB 2.483 . 3.100 3.122 3.069 3.153 0.053 6 0 "[ . 1]" 1 593 1 15 VAL QG 1 16 ASN HA 3.550 2.290 4.810 3.307 3.262 3.357 . 0 0 "[ . 1]" 1 594 2 15 VAL QG 2 16 ASN HA 3.550 2.290 4.810 3.306 3.259 3.356 . 0 0 "[ . 1]" 1 595 1 34 SER HA 1 37 VAL MG2 3.051 2.120 3.982 2.096 2.077 2.107 0.043 7 0 "[ . 1]" 1 596 2 34 SER HA 2 37 VAL MG2 3.051 2.120 3.982 2.098 2.079 2.108 0.041 7 0 "[ . 1]" 1 597 1 15 VAL QG 1 50 ARG HA 2.693 . 3.418 2.557 2.276 2.760 . 0 0 "[ . 1]" 1 598 2 15 VAL QG 2 50 ARG HA 2.693 . 3.418 2.557 2.277 2.760 . 0 0 "[ . 1]" 1 599 1 15 VAL QG 1 39 MET HA . 2.366 3.555 2.244 2.129 2.438 0.237 10 0 "[ . 1]" 1 600 2 15 VAL QG 2 39 MET HA . 2.366 3.555 2.244 2.131 2.440 0.235 10 0 "[ . 1]" 1 601 1 34 SER HB2 1 37 VAL MG2 4.320 2.454 6.186 4.346 4.192 4.504 . 0 0 "[ . 1]" 1 602 2 34 SER HB2 2 37 VAL MG2 4.320 2.454 6.186 4.347 4.194 4.504 . 0 0 "[ . 1]" 1 603 1 15 VAL HA 1 15 VAL QG 2.645 . 2.732 2.278 2.268 2.295 . 0 0 "[ . 1]" 1 604 2 15 VAL HA 2 15 VAL QG 2.645 . 2.732 2.279 2.271 2.297 . 0 0 "[ . 1]" 1 605 1 37 VAL MG2 2 41 CYS HB3 2.747 . 3.502 2.571 2.224 2.865 . 0 0 "[ . 1]" 1 606 1 41 CYS HB3 2 37 VAL MG2 2.747 . 3.502 2.569 2.242 2.895 . 0 0 "[ . 1]" 1 607 1 15 VAL QG 1 39 MET HG2 3.387 2.309 4.534 2.399 2.296 2.497 0.013 5 0 "[ . 1]" 1 608 2 15 VAL QG 2 39 MET HG2 3.387 2.309 4.534 2.401 2.296 2.500 0.013 5 0 "[ . 1]" 1 609 1 15 VAL HB 1 15 VAL QG 1.816 . 2.146 1.895 1.894 1.896 . 0 0 "[ . 1]" 1 610 2 15 VAL HB 2 15 VAL QG 1.816 . 2.146 1.895 1.893 1.897 . 0 0 "[ . 1]" 1 611 1 37 VAL HB 1 37 VAL MG2 1.958 . 2.342 2.128 2.126 2.129 . 0 0 "[ . 1]" 1 612 2 37 VAL HB 2 37 VAL MG2 1.958 . 2.342 2.128 2.127 2.129 . 0 0 "[ . 1]" 1 613 1 15 VAL QG 1 50 ARG QG 2.619 2.313 3.305 2.482 2.081 3.050 0.232 6 0 "[ . 1]" 1 614 2 15 VAL QG 2 50 ARG QG 2.619 2.313 3.305 2.481 2.080 3.054 0.233 6 0 "[ . 1]" 1 615 1 34 SER HA 1 37 VAL MG1 2.843 2.035 3.651 3.602 3.545 3.635 . 0 0 "[ . 1]" 1 616 2 34 SER HA 2 37 VAL MG1 2.843 2.035 3.651 3.604 3.552 3.636 . 0 0 "[ . 1]" 1 617 1 34 SER HB2 1 37 VAL MG1 3.986 2.397 5.575 5.788 5.590 6.123 0.548 4 2 "[ - +. 1]" 1 618 2 34 SER HB2 2 37 VAL MG1 3.986 2.397 5.575 5.790 5.593 6.122 0.547 4 2 "[ - +. 1]" 1 619 1 37 VAL HA 1 37 VAL MG1 2.264 . 2.777 2.366 2.358 2.380 . 0 0 "[ . 1]" 1 620 2 37 VAL HA 2 37 VAL MG1 2.264 . 2.777 2.366 2.359 2.380 . 0 0 "[ . 1]" 1 621 1 37 VAL HB 1 37 VAL MG1 1.926 . 2.297 2.125 2.124 2.127 . 0 0 "[ . 1]" 1 622 2 37 VAL HB 2 37 VAL MG1 1.926 . 2.297 2.125 2.124 2.126 . 0 0 "[ . 1]" 1 623 1 16 ASN HA 1 53 VAL MG2 3.549 2.290 4.808 3.406 3.205 3.644 . 0 0 "[ . 1]" 1 624 2 16 ASN HA 2 53 VAL MG2 3.549 2.290 4.808 3.407 3.205 3.645 . 0 0 "[ . 1]" 1 625 1 53 VAL HA 1 53 VAL MG2 2.901 2.059 3.743 3.207 3.202 3.212 . 0 0 "[ . 1]" 1 626 2 53 VAL HA 2 53 VAL MG2 2.901 2.059 3.743 3.208 3.204 3.213 . 0 0 "[ . 1]" 1 627 1 36 ASN HB2 1 37 VAL MG1 2.910 2.063 3.757 3.404 3.342 3.457 . 0 0 "[ . 1]" 1 628 2 36 ASN HB2 2 37 VAL MG1 2.910 2.063 3.757 3.407 3.344 3.462 . 0 0 "[ . 1]" 1 629 1 33 ASP QB 1 37 VAL MG1 3.307 . 6.000 4.435 3.731 4.599 . 0 0 "[ . 1]" 1 630 2 33 ASP QB 2 37 VAL MG1 3.307 . 6.000 4.433 3.735 4.592 . 0 0 "[ . 1]" 1 631 1 53 VAL MG2 1 57 LEU HG 3.053 2.121 3.985 3.984 3.774 4.044 0.059 2 0 "[ . 1]" 1 632 2 53 VAL MG2 2 57 LEU HG 3.053 2.121 3.985 3.986 3.777 4.046 0.061 2 0 "[ . 1]" 1 633 1 18 PHE HB3 1 35 LEU MD2 3.524 2.282 4.766 3.344 2.989 3.513 . 0 0 "[ . 1]" 1 634 2 18 PHE HB3 2 35 LEU MD2 3.524 2.282 4.766 3.345 2.991 3.514 . 0 0 "[ . 1]" 1 635 1 57 LEU HA 1 57 LEU MD2 2.055 . 2.477 1.985 1.967 2.008 . 0 0 "[ . 1]" 1 636 2 57 LEU HA 2 57 LEU MD2 2.055 . 2.477 1.984 1.966 2.007 . 0 0 "[ . 1]" 1 637 1 13 LEU HA 1 57 LEU MD2 2.596 . 3.270 2.515 2.116 2.888 . 0 0 "[ . 1]" 1 638 2 13 LEU HA 2 57 LEU MD2 2.596 . 3.270 2.516 2.117 2.889 . 0 0 "[ . 1]" 1 639 1 9 GLU HA 1 57 LEU MD2 3.284 2.206 4.362 3.536 3.218 3.983 . 0 0 "[ . 1]" 1 640 2 9 GLU HA 2 57 LEU MD2 3.284 2.206 4.362 3.536 3.221 3.979 . 0 0 "[ . 1]" 1 641 1 10 ILE HA 1 57 LEU MD2 3.587 2.300 4.874 4.322 3.870 4.649 . 0 0 "[ . 1]" 1 642 2 10 ILE HA 2 57 LEU MD2 3.587 2.300 4.874 4.322 3.871 4.646 . 0 0 "[ . 1]" 1 643 1 22 VAL HB 1 22 VAL MG1 1.935 . 2.310 2.125 2.124 2.127 . 0 0 "[ . 1]" 1 644 2 22 VAL HB 2 22 VAL MG1 1.935 . 2.310 2.126 2.124 2.127 . 0 0 "[ . 1]" 1 645 1 22 VAL MG1 1 32 ALA HA 2.137 . 2.593 2.164 2.000 2.364 . 0 0 "[ . 1]" 1 646 2 22 VAL MG1 2 32 ALA HA 2.137 . 2.593 2.164 2.001 2.365 . 0 0 "[ . 1]" 1 647 1 19 SER HA 1 22 VAL MG1 2.968 2.087 3.849 3.794 3.643 3.862 0.013 9 0 "[ . 1]" 1 648 2 19 SER HA 2 22 VAL MG1 2.968 2.087 3.849 3.794 3.647 3.859 0.010 2 0 "[ . 1]" 1 649 1 12 ALA MB 1 57 LEU MD2 2.010 . 2.414 2.289 2.053 2.446 0.032 8 0 "[ . 1]" 1 650 2 12 ALA MB 2 57 LEU MD2 2.010 . 2.414 2.289 2.051 2.443 0.029 8 0 "[ . 1]" 1 651 1 57 LEU MD2 1 57 LEU HG 1.858 . 2.203 2.126 2.122 2.129 . 0 0 "[ . 1]" 1 652 2 57 LEU MD2 2 57 LEU HG 1.858 . 2.203 2.126 2.122 2.129 . 0 0 "[ . 1]" 1 653 1 57 LEU HB3 1 57 LEU MD2 2.835 2.031 3.639 2.413 2.369 2.517 . 0 0 "[ . 1]" 1 654 2 57 LEU HB3 2 57 LEU MD2 2.835 2.031 3.639 2.413 2.367 2.520 . 0 0 "[ . 1]" 1 655 1 13 LEU MD2 1 57 LEU MD2 2.261 . 2.772 2.214 2.017 2.620 . 0 0 "[ . 1]" 1 656 2 13 LEU MD2 2 57 LEU MD2 2.261 . 2.772 2.213 2.015 2.619 . 0 0 "[ . 1]" 1 657 1 22 VAL MG1 1 35 LEU HB3 2.747 . 3.502 3.159 2.870 3.321 . 0 0 "[ . 1]" 1 658 2 22 VAL MG1 2 35 LEU HB3 2.747 . 3.502 3.159 2.869 3.320 . 0 0 "[ . 1]" 1 659 1 22 VAL MG1 1 32 ALA MB 2.254 . 2.762 2.238 2.119 2.355 . 0 0 "[ . 1]" 1 660 2 22 VAL MG1 2 32 ALA MB 2.254 . 2.762 2.238 2.120 2.355 . 0 0 "[ . 1]" 1 661 1 22 VAL MG1 1 27 ILE MG 2.171 . 2.642 2.551 2.434 2.667 0.025 5 0 "[ . 1]" 1 662 2 22 VAL MG1 2 27 ILE MG 2.171 . 2.642 2.551 2.434 2.668 0.026 5 0 "[ . 1]" 1 663 1 22 VAL MG1 1 35 LEU MD1 1.898 . 2.258 2.283 2.263 2.298 0.040 1 0 "[ . 1]" 1 664 2 22 VAL MG1 2 35 LEU MD1 1.898 . 2.258 2.282 2.264 2.298 0.040 1 0 "[ . 1]" 1 665 1 57 LEU HA 1 57 LEU MD1 3.510 2.278 4.742 3.815 3.746 3.840 . 0 0 "[ . 1]" 1 666 2 57 LEU HA 2 57 LEU MD1 3.510 2.278 4.742 3.815 3.748 3.839 . 0 0 "[ . 1]" 1 667 1 13 LEU HA 1 57 LEU MD1 2.347 . 2.898 2.575 2.119 2.943 0.045 6 0 "[ . 1]" 1 668 2 13 LEU HA 2 57 LEU MD1 2.347 . 2.898 2.575 2.125 2.943 0.045 6 0 "[ . 1]" 1 669 1 53 VAL HB 1 57 LEU MD1 3.144 2.156 4.132 2.584 2.328 2.845 . 0 0 "[ . 1]" 1 670 2 53 VAL HB 2 57 LEU MD1 3.144 2.156 4.132 2.584 2.329 2.845 . 0 0 "[ . 1]" 1 671 1 57 LEU HB2 1 57 LEU MD1 2.417 . 3.001 2.383 2.344 2.490 . 0 0 "[ . 1]" 1 672 2 57 LEU HB2 2 57 LEU MD1 2.417 . 3.001 2.381 2.343 2.490 . 0 0 "[ . 1]" 1 673 1 57 LEU MD1 1 57 LEU HG 2.060 . 2.484 2.123 2.120 2.124 . 0 0 "[ . 1]" 1 674 2 57 LEU MD1 2 57 LEU HG 2.060 . 2.484 2.122 2.119 2.125 . 0 0 "[ . 1]" 1 675 1 57 LEU HB3 1 57 LEU MD1 2.399 . 2.974 2.339 2.259 2.371 . 0 0 "[ . 1]" 1 676 2 57 LEU HB3 2 57 LEU MD1 2.399 . 2.974 2.338 2.260 2.371 . 0 0 "[ . 1]" 1 677 1 35 LEU HB3 1 35 LEU MD1 2.445 . 3.043 2.358 2.347 2.370 . 0 0 "[ . 1]" 1 678 2 35 LEU HB3 2 35 LEU MD1 2.445 . 3.043 2.357 2.343 2.371 . 0 0 "[ . 1]" 1 679 1 35 LEU MD1 1 35 LEU HG 2.028 . 2.439 2.126 2.124 2.127 . 0 0 "[ . 1]" 1 680 2 35 LEU MD1 2 35 LEU HG 2.028 . 2.439 2.125 2.123 2.128 . 0 0 "[ . 1]" 1 681 1 21 ILE HB 1 35 LEU MD1 2.674 . 3.389 2.921 2.768 3.043 . 0 0 "[ . 1]" 1 682 2 21 ILE HB 2 35 LEU MD1 2.674 . 3.389 2.922 2.768 3.042 . 0 0 "[ . 1]" 1 683 1 18 PHE HB2 1 35 LEU MD1 4.083 2.416 5.750 4.328 4.176 4.521 . 0 0 "[ . 1]" 1 684 2 18 PHE HB2 2 35 LEU MD1 4.083 2.416 5.750 4.328 4.176 4.522 . 0 0 "[ . 1]" 1 685 1 35 LEU HA 1 35 LEU MD1 3.537 2.286 4.788 3.840 3.830 3.848 . 0 0 "[ . 1]" 1 686 2 35 LEU HA 2 35 LEU MD1 3.537 2.286 4.788 3.839 3.831 3.848 . 0 0 "[ . 1]" 1 687 1 18 PHE HB3 1 35 LEU MD1 3.283 2.205 4.361 2.849 2.674 3.082 . 0 0 "[ . 1]" 1 688 2 18 PHE HB3 2 35 LEU MD1 3.283 2.205 4.361 2.849 2.675 3.083 . 0 0 "[ . 1]" 1 689 1 18 PHE HA 1 35 LEU MD1 3.582 2.299 4.865 3.126 2.937 3.298 . 0 0 "[ . 1]" 1 690 2 18 PHE HA 2 35 LEU MD1 3.582 2.299 4.865 3.126 2.938 3.298 . 0 0 "[ . 1]" 1 691 1 17 TYR QD 1 35 LEU MD2 4.595 2.484 6.706 5.453 5.168 5.917 . 0 0 "[ . 1]" 1 692 2 17 TYR QD 2 35 LEU MD2 4.595 2.484 6.706 5.453 5.168 5.915 . 0 0 "[ . 1]" 1 693 1 16 ASN HD21 1 53 VAL MG2 3.392 2.241 4.543 3.831 3.393 4.270 . 0 0 "[ . 1]" 1 694 2 16 ASN HD21 2 53 VAL MG2 3.392 2.241 4.543 3.830 3.391 4.275 . 0 0 "[ . 1]" 1 695 1 52 ALA H 1 53 VAL MG2 3.880 2.374 5.386 3.885 3.784 3.992 . 0 0 "[ . 1]" 1 696 2 52 ALA H 2 53 VAL MG2 3.880 2.374 5.386 3.885 3.784 3.989 . 0 0 "[ . 1]" 1 697 1 35 LEU MD1 1 35 LEU MD2 3.065 2.126 4.004 2.091 2.088 2.095 0.038 6 0 "[ . 1]" 1 698 2 35 LEU MD1 2 35 LEU MD2 3.065 2.126 4.004 2.092 2.088 2.094 0.038 4 0 "[ . 1]" 1 699 1 7 LYS HE3 1 7 LYS HG3 4.400 2.464 6.336 3.639 3.225 3.782 . 0 0 "[ . 1]" 1 700 2 7 LYS HE3 2 7 LYS HG3 4.400 2.464 6.336 3.639 3.222 3.782 . 0 0 "[ . 1]" 1 701 1 7 LYS HA 1 7 LYS HG3 4.448 2.470 6.426 3.843 3.766 3.897 . 0 0 "[ . 1]" 1 702 2 7 LYS HA 2 7 LYS HG3 4.448 2.470 6.426 3.843 3.765 3.896 . 0 0 "[ . 1]" 1 703 1 24 LYS HA 1 24 LYS HG2 3.107 2.142 4.072 2.586 2.404 2.675 . 0 0 "[ . 1]" 1 704 2 24 LYS HA 2 24 LYS HG2 3.107 2.142 4.072 2.585 2.404 2.677 . 0 0 "[ . 1]" 1 705 1 8 GLU HB3 1 8 GLU HG3 2.906 2.062 3.750 2.903 2.466 3.010 . 0 0 "[ . 1]" 1 706 2 8 GLU HB3 2 8 GLU HG3 2.906 2.062 3.750 2.903 2.464 3.011 . 0 0 "[ . 1]" 1 707 1 8 GLU HB2 1 8 GLU HG2 2.749 . 3.504 2.902 2.479 3.009 . 0 0 "[ . 1]" 1 708 2 8 GLU HB2 2 8 GLU HG2 2.749 . 3.504 2.902 2.485 3.008 . 0 0 "[ . 1]" 1 709 1 50 ARG HA 1 50 ARG QG 3.072 2.213 4.016 2.459 2.356 2.561 . 0 0 "[ . 1]" 1 710 2 50 ARG HA 2 50 ARG QG 3.072 2.213 4.016 2.459 2.359 2.559 . 0 0 "[ . 1]" 1 711 1 70 ILE HA 1 70 ILE HB 3.159 2.161 4.157 2.926 2.533 3.028 . 0 0 "[ . 1]" 1 712 2 70 ILE HA 2 70 ILE HB 3.159 2.161 4.157 2.926 2.533 3.028 . 0 0 "[ . 1]" 1 713 1 56 ILE HA 1 56 ILE HB 3.429 2.253 4.605 3.024 3.021 3.026 . 0 0 "[ . 1]" 1 714 2 56 ILE HA 2 56 ILE HB 3.429 2.253 4.605 3.024 3.022 3.026 . 0 0 "[ . 1]" 1 715 1 53 VAL HA 1 56 ILE HB 3.098 2.138 4.058 2.862 2.624 3.094 . 0 0 "[ . 1]" 1 716 2 53 VAL HA 2 56 ILE HB 3.098 2.138 4.058 2.862 2.624 3.097 . 0 0 "[ . 1]" 1 717 1 42 ILE HA 1 42 ILE HB 3.537 2.286 4.788 3.027 3.024 3.030 . 0 0 "[ . 1]" 1 718 2 42 ILE HA 2 42 ILE HB 3.537 2.286 4.788 3.027 3.024 3.030 . 0 0 "[ . 1]" 1 719 1 56 ILE HB 1 56 ILE MD 2.670 . 3.383 2.418 2.398 2.431 . 0 0 "[ . 1]" 1 720 2 56 ILE HB 2 56 ILE MD 2.670 . 3.383 2.417 2.394 2.431 . 0 0 "[ . 1]" 1 721 1 56 ILE HB 1 56 ILE HG13 2.883 2.052 3.714 2.490 2.477 2.511 . 0 0 "[ . 1]" 1 722 2 56 ILE HB 2 56 ILE HG13 2.883 2.052 3.714 2.491 2.477 2.511 . 0 0 "[ . 1]" 1 723 1 56 ILE HB 1 56 ILE MG 2.231 . 2.729 2.131 2.127 2.134 . 0 0 "[ . 1]" 1 724 2 56 ILE HB 2 56 ILE MG 2.231 . 2.729 2.131 2.127 2.134 . 0 0 "[ . 1]" 1 725 1 12 ALA MB 1 56 ILE HB 2.659 . 3.366 2.449 2.227 2.636 . 0 0 "[ . 1]" 1 726 2 12 ALA MB 2 56 ILE HB 2.659 . 3.366 2.448 2.225 2.640 . 0 0 "[ . 1]" 1 727 1 15 VAL QG 1 42 ILE HB 2.426 . 3.014 2.365 2.233 2.448 . 0 0 "[ . 1]" 1 728 2 15 VAL QG 2 42 ILE HB 2.426 . 3.014 2.364 2.232 2.448 . 0 0 "[ . 1]" 1 729 1 48 PHE H 1 48 PHE HB2 4.839 2.497 7.181 3.917 3.890 3.962 . 0 0 "[ . 1]" 1 730 2 48 PHE H 2 48 PHE HB2 4.839 2.497 7.181 3.917 3.891 3.963 . 0 0 "[ . 1]" 1 731 1 27 ILE HB 1 27 ILE MD 2.472 . 3.083 2.417 2.396 2.447 . 0 0 "[ . 1]" 1 732 2 27 ILE HB 2 27 ILE MD 2.472 . 3.083 2.418 2.396 2.447 . 0 0 "[ . 1]" 1 733 1 35 LEU HB2 1 35 LEU MD2 3.464 2.264 4.664 3.200 3.198 3.202 . 0 0 "[ . 1]" 1 734 2 35 LEU HB2 2 35 LEU MD2 3.464 2.264 4.664 3.201 3.199 3.202 . 0 0 "[ . 1]" 1 735 1 35 LEU HB2 1 35 LEU MD1 2.740 . 3.491 2.332 2.314 2.344 . 0 0 "[ . 1]" 1 736 2 35 LEU HB2 2 35 LEU MD1 2.740 . 3.491 2.330 2.313 2.340 . 0 0 "[ . 1]" 1 737 1 35 LEU HB2 1 35 LEU HG 2.674 . 3.389 2.446 2.436 2.457 . 0 0 "[ . 1]" 1 738 2 35 LEU HB2 2 35 LEU HG 2.674 . 3.389 2.445 2.433 2.453 . 0 0 "[ . 1]" 1 739 1 35 LEU HB2 1 39 MET ME 3.668 2.322 5.014 3.659 3.460 3.880 . 0 0 "[ . 1]" 1 740 2 35 LEU HB2 2 39 MET ME 3.668 2.322 5.014 3.658 3.461 3.880 . 0 0 "[ . 1]" 1 741 1 18 PHE HB2 1 35 LEU HB2 6.394 2.306 10.482 5.330 5.213 5.563 . 0 0 "[ . 1]" 1 742 2 18 PHE HB2 2 35 LEU HB2 6.394 2.306 10.482 5.329 5.207 5.563 . 0 0 "[ . 1]" 1 743 1 32 ALA HA 1 35 LEU HB2 3.040 2.116 3.964 2.745 2.607 2.832 . 0 0 "[ . 1]" 1 744 2 32 ALA HA 2 35 LEU HB2 3.040 2.116 3.964 2.745 2.607 2.825 . 0 0 "[ . 1]" 1 745 1 70 ILE HB 1 70 ILE HG12 2.826 2.027 3.625 2.973 2.485 3.031 . 0 0 "[ . 1]" 1 746 2 70 ILE HB 2 70 ILE HG12 2.826 2.027 3.625 2.973 2.485 3.030 . 0 0 "[ . 1]" 1 747 1 70 ILE HB 1 70 ILE MD 2.605 . 3.284 2.512 2.372 3.238 . 0 0 "[ . 1]" 1 748 2 70 ILE HB 2 70 ILE MD 2.605 . 3.284 2.512 2.373 3.236 . 0 0 "[ . 1]" 1 749 1 14 ILE HB 1 14 ILE HG12 2.917 2.066 3.768 3.024 3.022 3.026 . 0 0 "[ . 1]" 1 750 2 14 ILE HB 2 14 ILE HG12 2.917 2.066 3.768 3.024 3.022 3.026 . 0 0 "[ . 1]" 1 751 1 14 ILE HB 1 14 ILE HG13 3.321 2.218 4.424 2.483 2.463 2.505 . 0 0 "[ . 1]" 1 752 2 14 ILE HB 2 14 ILE HG13 3.321 2.218 4.424 2.484 2.464 2.505 . 0 0 "[ . 1]" 1 753 1 18 PHE HB2 1 35 LEU MD2 4.806 2.496 7.116 4.414 4.152 4.571 . 0 0 "[ . 1]" 1 754 2 18 PHE HB2 2 35 LEU MD2 4.806 2.496 7.116 4.414 4.153 4.572 . 0 0 "[ . 1]" 1 755 1 18 PHE HB2 1 39 MET ME 3.753 2.345 5.161 3.502 3.346 3.665 . 0 0 "[ . 1]" 1 756 2 18 PHE HB2 2 39 MET ME 3.753 2.345 5.161 3.502 3.349 3.665 . 0 0 "[ . 1]" 1 757 1 21 ILE HB 1 22 VAL MG1 3.634 2.314 4.954 3.076 2.915 3.161 . 0 0 "[ . 1]" 1 758 2 21 ILE HB 2 22 VAL MG1 3.634 2.314 4.954 3.077 2.915 3.162 . 0 0 "[ . 1]" 1 759 1 21 ILE HA 1 21 ILE HB 3.150 2.158 4.142 3.023 3.020 3.027 . 0 0 "[ . 1]" 1 760 2 21 ILE HA 2 21 ILE HB 3.150 2.158 4.142 3.022 3.019 3.026 . 0 0 "[ . 1]" 1 761 1 26 GLU HA 1 26 GLU QG 2.795 2.014 3.576 2.522 2.277 3.013 . 0 0 "[ . 1]" 1 762 2 26 GLU HA 2 26 GLU QG 2.795 2.014 3.576 2.523 2.276 3.016 . 0 0 "[ . 1]" 1 763 1 7 LYS HA 1 10 ILE HB 3.287 2.207 4.367 2.765 2.561 3.005 . 0 0 "[ . 1]" 1 764 2 7 LYS HA 2 10 ILE HB 3.287 2.207 4.367 2.765 2.563 3.003 . 0 0 "[ . 1]" 1 765 1 10 ILE HA 1 10 ILE HB 3.514 2.279 4.749 3.022 3.015 3.025 . 0 0 "[ . 1]" 1 766 2 10 ILE HA 2 10 ILE HB 3.514 2.279 4.749 3.022 3.014 3.024 . 0 0 "[ . 1]" 1 767 1 10 ILE HB 1 10 ILE QG 2.598 . 3.273 2.266 2.186 2.367 . 0 0 "[ . 1]" 1 768 2 10 ILE HB 2 10 ILE QG 2.598 . 3.273 2.266 2.186 2.368 . 0 0 "[ . 1]" 1 769 1 72 ASN HB3 1 73 SER H 3.663 2.321 5.005 4.159 2.853 4.595 . 0 0 "[ . 1]" 1 770 2 72 ASN HB3 2 73 SER H 3.663 2.321 5.005 4.159 2.850 4.600 . 0 0 "[ . 1]" 1 771 1 36 ASN HB2 1 36 ASN HD22 2.824 2.027 3.621 3.490 3.485 3.498 . 0 0 "[ . 1]" 1 772 2 36 ASN HB2 2 36 ASN HD22 2.824 2.027 3.621 3.490 3.482 3.493 . 0 0 "[ . 1]" 1 773 1 72 ASN HB2 1 73 SER HA 4.084 2.416 5.752 5.137 4.682 5.837 0.085 8 0 "[ . 1]" 1 774 2 72 ASN HB2 2 73 SER HA 4.084 2.416 5.752 5.137 4.682 5.836 0.084 8 0 "[ . 1]" 1 775 1 72 ASN HA 1 72 ASN HB3 2.920 2.067 3.773 2.609 2.380 3.030 . 0 0 "[ . 1]" 1 776 2 72 ASN HA 2 72 ASN HB3 2.920 2.067 3.773 2.609 2.382 3.031 . 0 0 "[ . 1]" 1 777 1 72 ASN HA 1 72 ASN HB2 2.961 2.084 3.838 2.459 2.319 2.519 . 0 0 "[ . 1]" 1 778 2 72 ASN HA 2 72 ASN HB2 2.961 2.084 3.838 2.459 2.319 2.521 . 0 0 "[ . 1]" 1 779 1 18 PHE HB2 1 39 MET HG2 3.964 2.392 5.536 2.717 2.580 2.827 . 0 0 "[ . 1]" 1 780 2 18 PHE HB2 2 39 MET HG2 3.964 2.392 5.536 2.717 2.577 2.828 . 0 0 "[ . 1]" 1 781 1 18 PHE HB3 1 39 MET HG2 5.197 2.496 7.898 3.897 3.698 4.041 . 0 0 "[ . 1]" 1 782 2 18 PHE HB3 2 39 MET HG2 5.197 2.496 7.898 3.898 3.700 4.042 . 0 0 "[ . 1]" 1 783 1 24 LYS H 1 24 LYS QE 4.447 2.470 6.424 4.140 3.291 4.435 . 0 0 "[ . 1]" 1 784 2 24 LYS H 2 24 LYS QE 4.447 2.470 6.424 4.140 3.284 4.430 . 0 0 "[ . 1]" 1 785 1 27 ILE MD 1 31 GLY HA2 3.752 2.344 5.160 3.262 3.089 3.593 . 0 0 "[ . 1]" 1 786 2 27 ILE MD 2 31 GLY HA2 3.752 2.344 5.160 3.262 3.085 3.594 . 0 0 "[ . 1]" 1 787 1 27 ILE HG12 1 31 GLY HA3 2.778 2.006 3.550 2.515 2.316 2.953 . 0 0 "[ . 1]" 1 788 2 27 ILE HG12 2 31 GLY HA3 2.778 2.006 3.550 2.516 2.314 2.961 . 0 0 "[ . 1]" 1 789 1 48 PHE HA 1 48 PHE HB3 2.779 2.007 3.551 2.513 2.501 2.533 . 0 0 "[ . 1]" 1 790 2 48 PHE HA 2 48 PHE HB3 2.779 2.007 3.551 2.513 2.500 2.533 . 0 0 "[ . 1]" 1 791 1 48 PHE HA 1 48 PHE HB2 2.690 . 3.414 2.398 2.387 2.411 . 0 0 "[ . 1]" 1 792 2 48 PHE HA 2 48 PHE HB2 2.690 . 3.414 2.399 2.388 2.413 . 0 0 "[ . 1]" 1 793 1 48 PHE HA 1 49 GLU HG2 4.190 2.435 5.945 4.757 3.833 5.176 . 0 0 "[ . 1]" 1 794 2 48 PHE HA 2 49 GLU HG2 4.190 2.435 5.945 4.759 3.833 5.172 . 0 0 "[ . 1]" 1 795 1 48 PHE HA 1 49 GLU HB3 5.938 2.413 9.463 5.733 5.702 5.768 . 0 0 "[ . 1]" 1 796 2 48 PHE HA 2 49 GLU HB3 5.938 2.413 9.463 5.733 5.704 5.767 . 0 0 "[ . 1]" 1 797 1 48 PHE HA 1 56 ILE MD 4.499 2.475 6.523 4.710 4.143 5.182 . 0 0 "[ . 1]" 1 798 2 48 PHE HA 2 56 ILE MD 4.499 2.475 6.523 4.710 4.139 5.181 . 0 0 "[ . 1]" 1 799 1 32 ALA HA 1 35 LEU HB3 3.743 2.342 5.144 4.337 4.189 4.423 . 0 0 "[ . 1]" 1 800 2 32 ALA HA 2 35 LEU HB3 3.743 2.342 5.144 4.337 4.189 4.417 . 0 0 "[ . 1]" 1 801 1 32 ALA HA 1 32 ALA MB 1.992 . 2.389 2.129 2.127 2.131 . 0 0 "[ . 1]" 1 802 2 32 ALA HA 2 32 ALA MB 1.992 . 2.389 2.128 2.126 2.130 . 0 0 "[ . 1]" 1 803 1 32 ALA HA 1 35 LEU MD1 2.790 2.012 3.568 2.514 2.385 2.635 . 0 0 "[ . 1]" 1 804 2 32 ALA HA 2 35 LEU MD1 2.790 2.012 3.568 2.515 2.390 2.639 . 0 0 "[ . 1]" 1 805 1 45 ALA HA 1 45 ALA MB 2.100 . 2.541 2.126 2.124 2.129 . 0 0 "[ . 1]" 1 806 2 45 ALA HA 2 45 ALA MB 2.100 . 2.541 2.125 2.124 2.128 . 0 0 "[ . 1]" 1 807 1 11 ALA HA 1 15 VAL QG 3.046 2.118 3.974 3.724 3.646 3.761 . 0 0 "[ . 1]" 1 808 2 11 ALA HA 2 15 VAL QG 3.046 2.118 3.974 3.723 3.643 3.761 . 0 0 "[ . 1]" 1 809 1 45 ALA HA 2 27 ILE MD 3.717 2.336 5.098 3.430 3.213 3.591 . 0 0 "[ . 1]" 1 810 1 27 ILE MD 2 45 ALA HA 3.717 2.336 5.098 3.422 3.206 3.574 . 0 0 "[ . 1]" 1 811 1 11 ALA HA 1 11 ALA MB 1.988 . 2.383 2.126 2.124 2.128 . 0 0 "[ . 1]" 1 812 2 11 ALA HA 2 11 ALA MB 1.988 . 2.383 2.126 2.124 2.127 . 0 0 "[ . 1]" 1 813 1 11 ALA HA 1 14 ILE MD 2.348 . 2.899 2.094 1.983 2.218 . 0 0 "[ . 1]" 1 814 2 11 ALA HA 2 14 ILE MD 2.348 . 2.899 2.094 1.982 2.217 . 0 0 "[ . 1]" 1 815 1 59 LYS HA 1 59 LYS HB3 2.668 . 3.380 2.748 2.417 3.029 . 0 0 "[ . 1]" 1 816 2 59 LYS HA 2 59 LYS HB3 2.668 . 3.380 2.747 2.416 3.027 . 0 0 "[ . 1]" 1 817 1 59 LYS HA 1 59 LYS HD2 4.987 2.500 7.474 4.423 2.907 4.921 . 0 0 "[ . 1]" 1 818 2 59 LYS HA 2 59 LYS HD2 4.987 2.500 7.474 4.424 2.910 4.913 . 0 0 "[ . 1]" 1 819 1 11 ALA HA 1 14 ILE HB 2.465 . 3.072 2.268 2.092 2.400 . 0 0 "[ . 1]" 1 820 2 11 ALA HA 2 14 ILE HB 2.465 . 3.072 2.267 2.093 2.398 . 0 0 "[ . 1]" 1 821 1 38 ALA HA 2 41 CYS HB3 3.847 2.367 5.327 3.980 3.695 4.427 . 0 0 "[ . 1]" 1 822 1 41 CYS HB3 2 38 ALA HA 3.847 2.367 5.327 3.983 3.691 4.435 . 0 0 "[ . 1]" 1 823 1 38 ALA HA 2 41 CYS HB2 2.837 2.130 3.642 2.999 2.727 3.445 . 0 0 "[ . 1]" 1 824 1 41 CYS HB2 2 38 ALA HA 2.837 2.130 3.642 3.000 2.736 3.451 . 0 0 "[ . 1]" 1 825 1 26 GLU HA 1 26 GLU HB3 2.330 . 2.873 2.537 2.399 2.671 . 0 0 "[ . 1]" 1 826 2 26 GLU HA 2 26 GLU HB3 2.330 . 2.873 2.537 2.404 2.672 . 0 0 "[ . 1]" 1 827 1 26 GLU HA 1 26 GLU HB2 3.231 2.187 4.275 3.009 2.971 3.024 . 0 0 "[ . 1]" 1 828 2 26 GLU HA 2 26 GLU HB2 3.231 2.187 4.275 3.009 2.971 3.024 . 0 0 "[ . 1]" 1 829 1 5 ALA HA 1 5 ALA MB 2.240 . 2.742 2.131 2.125 2.141 . 0 0 "[ . 1]" 1 830 2 5 ALA HA 2 5 ALA MB 2.240 . 2.742 2.131 2.124 2.142 . 0 0 "[ . 1]" 1 831 1 20 SER HA 1 24 LYS QE 3.973 2.394 5.552 3.618 3.019 4.043 . 0 0 "[ . 1]" 1 832 2 20 SER HA 2 24 LYS QE 3.973 2.394 5.552 3.620 3.024 4.049 . 0 0 "[ . 1]" 1 833 1 24 LYS HA 1 24 LYS QE 5.069 2.499 7.639 4.899 4.398 5.204 . 0 0 "[ . 1]" 1 834 2 24 LYS HA 2 24 LYS QE 5.069 2.499 7.639 4.898 4.393 5.205 . 0 0 "[ . 1]" 1 835 1 20 SER HB3 1 24 LYS QE 3.974 2.394 5.554 3.421 2.034 4.093 0.360 5 0 "[ . 1]" 1 836 2 20 SER HB3 2 24 LYS QE 3.974 2.394 5.554 3.416 2.029 4.083 0.365 5 0 "[ . 1]" 1 837 1 21 ILE HA 1 24 LYS QE 3.602 2.304 4.900 4.343 2.766 4.794 . 0 0 "[ . 1]" 1 838 2 21 ILE HA 2 24 LYS QE 3.602 2.304 4.900 4.342 2.766 4.793 . 0 0 "[ . 1]" 1 839 1 24 LYS HB2 1 24 LYS QE 3.253 2.195 4.311 3.462 1.995 3.981 0.200 6 0 "[ . 1]" 1 840 2 24 LYS HB2 2 24 LYS QE 3.253 2.195 4.311 3.460 1.991 3.976 0.204 6 0 "[ . 1]" 1 841 1 24 LYS QE 1 24 LYS HG3 2.525 . 3.162 2.410 2.306 2.505 . 0 0 "[ . 1]" 1 842 2 24 LYS QE 2 24 LYS HG3 2.525 . 3.162 2.409 2.304 2.504 . 0 0 "[ . 1]" 1 843 1 27 ILE MG 1 31 GLY HA2 5.371 2.487 8.255 4.800 4.566 5.107 . 0 0 "[ . 1]" 1 844 2 27 ILE MG 2 31 GLY HA2 5.371 2.487 8.255 4.801 4.565 5.110 . 0 0 "[ . 1]" 1 845 1 27 ILE MG 1 31 GLY HA3 4.390 2.463 6.317 3.715 3.502 4.008 . 0 0 "[ . 1]" 1 846 2 27 ILE MG 2 31 GLY HA3 4.390 2.463 6.317 3.715 3.499 4.015 . 0 0 "[ . 1]" 1 847 1 57 LEU HB3 1 58 GLY HA2 4.404 2.465 6.343 4.484 4.384 4.616 . 0 0 "[ . 1]" 1 848 2 57 LEU HB3 2 58 GLY HA2 4.404 2.465 6.343 4.484 4.379 4.615 . 0 0 "[ . 1]" 1 849 1 46 PHE H 1 47 GLY HA2 6.037 2.393 9.681 4.565 4.422 4.651 . 0 0 "[ . 1]" 1 850 2 46 PHE H 2 47 GLY HA2 6.037 2.393 9.681 4.561 4.417 4.649 . 0 0 "[ . 1]" 1 851 1 39 MET HA 1 39 MET HB2 3.274 2.202 4.346 3.013 3.005 3.019 . 0 0 "[ . 1]" 1 852 2 39 MET HA 2 39 MET HB2 3.274 2.202 4.346 3.013 3.007 3.018 . 0 0 "[ . 1]" 1 853 1 39 MET HB2 1 39 MET HG3 3.586 2.300 4.872 2.418 2.405 2.432 . 0 0 "[ . 1]" 1 854 2 39 MET HB2 2 39 MET HG3 3.586 2.300 4.872 2.419 2.407 2.430 . 0 0 "[ . 1]" 1 855 1 18 PHE HB3 1 39 MET HB2 5.881 2.422 9.340 5.312 5.227 5.428 . 0 0 "[ . 1]" 1 856 2 18 PHE HB3 2 39 MET HB2 5.881 2.422 9.340 5.312 5.225 5.426 . 0 0 "[ . 1]" 1 857 1 44 GLU HG2 1 45 ALA H 4.337 2.456 6.218 4.533 3.610 5.262 . 0 0 "[ . 1]" 1 858 2 44 GLU HG2 2 45 ALA H 4.337 2.456 6.218 4.534 3.611 5.259 . 0 0 "[ . 1]" 1 859 1 36 ASN HA 1 39 MET HG3 4.610 2.485 6.735 3.732 3.562 3.971 . 0 0 "[ . 1]" 1 860 2 36 ASN HA 2 39 MET HG3 4.610 2.485 6.735 3.732 3.561 3.969 . 0 0 "[ . 1]" 1 861 1 39 MET ME 1 39 MET HG2 4.039 2.408 5.670 3.406 3.402 3.410 . 0 0 "[ . 1]" 1 862 2 39 MET ME 2 39 MET HG2 4.039 2.408 5.670 3.406 3.404 3.410 . 0 0 "[ . 1]" 1 863 1 39 MET HB3 1 39 MET HG2 3.431 2.254 4.608 2.459 2.444 2.474 . 0 0 "[ . 1]" 1 864 2 39 MET HB3 2 39 MET HG2 3.431 2.254 4.608 2.457 2.445 2.472 . 0 0 "[ . 1]" 1 865 1 39 MET HG3 1 42 ILE MD 4.211 2.438 5.984 3.885 3.729 4.015 . 0 0 "[ . 1]" 1 866 2 39 MET HG3 2 42 ILE MD 4.211 2.438 5.984 3.884 3.727 4.016 . 0 0 "[ . 1]" 1 867 1 39 MET HG2 1 42 ILE MD 3.403 2.245 4.561 3.170 3.055 3.353 . 0 0 "[ . 1]" 1 868 2 39 MET HG2 2 42 ILE MD 3.403 2.245 4.561 3.169 3.054 3.354 . 0 0 "[ . 1]" 1 869 1 38 ALA MB 1 39 MET HG3 4.182 2.433 5.931 3.326 3.238 3.456 . 0 0 "[ . 1]" 1 870 2 38 ALA MB 2 39 MET HG3 4.182 2.433 5.931 3.325 3.237 3.456 . 0 0 "[ . 1]" 1 871 1 15 VAL QG 1 39 MET HG3 5.163 2.497 7.829 3.805 3.737 3.874 . 0 0 "[ . 1]" 1 872 2 15 VAL QG 2 39 MET HG3 5.163 2.497 7.829 3.806 3.736 3.877 . 0 0 "[ . 1]" 1 873 1 66 HIS HA 1 66 HIS HB3 3.520 2.281 4.759 2.828 2.458 3.031 . 0 0 "[ . 1]" 1 874 2 66 HIS HA 2 66 HIS HB3 3.520 2.281 4.759 2.828 2.460 3.033 . 0 0 "[ . 1]" 1 875 1 66 HIS HA 1 66 HIS HB2 3.562 2.293 4.831 2.685 2.348 3.030 . 0 0 "[ . 1]" 1 876 2 66 HIS HA 2 66 HIS HB2 3.562 2.293 4.831 2.686 2.350 3.032 . 0 0 "[ . 1]" 1 877 1 37 VAL HA 1 37 VAL HB 2.724 . 3.466 2.436 2.423 2.445 . 0 0 "[ . 1]" 1 878 2 37 VAL HA 2 37 VAL HB 2.724 . 3.466 2.436 2.423 2.445 . 0 0 "[ . 1]" 1 879 1 49 GLU HA 1 49 GLU HB2 3.394 2.242 4.546 3.024 3.018 3.027 . 0 0 "[ . 1]" 1 880 2 49 GLU HA 2 49 GLU HB2 3.394 2.242 4.546 3.024 3.018 3.028 . 0 0 "[ . 1]" 1 881 1 61 GLU H 1 61 GLU HB3 4.237 2.442 6.032 2.938 2.551 3.638 . 0 0 "[ . 1]" 1 882 2 61 GLU H 2 61 GLU HB3 4.237 2.442 6.032 2.936 2.549 3.637 . 0 0 "[ . 1]" 1 883 1 56 ILE H 1 56 ILE HG12 3.835 2.364 5.306 3.368 3.230 3.460 . 0 0 "[ . 1]" 1 884 2 56 ILE H 2 56 ILE HG12 3.835 2.364 5.306 3.368 3.225 3.455 . 0 0 "[ . 1]" 1 885 1 25 LYS H 1 25 LYS HD2 5.574 2.467 8.681 5.100 4.990 5.417 . 0 0 "[ . 1]" 1 886 2 25 LYS H 2 25 LYS HD2 5.574 2.467 8.681 5.100 4.995 5.415 . 0 0 "[ . 1]" 1 887 1 25 LYS HA 1 25 LYS HD2 4.273 2.447 6.099 4.627 4.304 4.733 . 0 0 "[ . 1]" 1 888 2 25 LYS HA 2 25 LYS HD2 4.273 2.447 6.099 4.627 4.300 4.732 . 0 0 "[ . 1]" 1 889 1 25 LYS HD2 1 25 LYS HE2 2.699 . 3.427 2.900 2.432 3.017 . 0 0 "[ . 1]" 1 890 2 25 LYS HD2 2 25 LYS HE2 2.699 . 3.427 2.900 2.432 3.016 . 0 0 "[ . 1]" 1 891 1 61 GLU HA 1 61 GLU HB3 2.933 2.073 3.793 2.636 2.418 3.026 . 0 0 "[ . 1]" 1 892 2 61 GLU HA 2 61 GLU HB3 2.933 2.073 3.793 2.636 2.419 3.026 . 0 0 "[ . 1]" 1 893 1 61 GLU HA 1 61 GLU HB2 3.232 2.188 4.276 2.635 2.377 3.023 . 0 0 "[ . 1]" 1 894 2 61 GLU HA 2 61 GLU HB2 3.232 2.188 4.276 2.635 2.377 3.025 . 0 0 "[ . 1]" 1 895 1 25 LYS HA 1 25 LYS HB3 2.567 . 3.226 2.501 2.478 2.531 . 0 0 "[ . 1]" 1 896 2 25 LYS HA 2 25 LYS HB3 2.567 . 3.226 2.501 2.478 2.531 . 0 0 "[ . 1]" 1 897 1 42 ILE HA 1 42 ILE HG12 3.289 2.207 4.371 2.580 2.545 2.638 . 0 0 "[ . 1]" 1 898 2 42 ILE HA 2 42 ILE HG12 3.289 2.207 4.371 2.580 2.545 2.637 . 0 0 "[ . 1]" 1 899 1 18 PHE HA 1 21 ILE HG12 3.756 2.345 5.167 2.803 2.574 3.222 . 0 0 "[ . 1]" 1 900 2 18 PHE HA 2 21 ILE HG12 3.756 2.345 5.167 2.803 2.576 3.217 . 0 0 "[ . 1]" 1 901 1 18 PHE HA 1 21 ILE HG13 3.857 2.369 5.345 3.098 2.852 3.420 . 0 0 "[ . 1]" 1 902 2 18 PHE HA 2 21 ILE HG13 3.857 2.369 5.345 3.099 2.852 3.419 . 0 0 "[ . 1]" 1 903 1 56 ILE HG13 1 56 ILE MG 3.256 2.196 4.316 3.203 3.201 3.206 . 0 0 "[ . 1]" 1 904 2 56 ILE HG13 2 56 ILE MG 3.256 2.196 4.316 3.203 3.202 3.206 . 0 0 "[ . 1]" 1 905 1 42 ILE HG12 2 38 ALA MB 2.977 2.091 3.863 2.633 2.559 2.729 . 0 0 "[ . 1]" 1 906 1 38 ALA MB 2 42 ILE HG12 2.977 2.091 3.863 2.636 2.599 2.743 . 0 0 "[ . 1]" 1 907 1 21 ILE HB 1 21 ILE HG13 2.853 2.039 3.667 2.467 2.461 2.485 . 0 0 "[ . 1]" 1 908 2 21 ILE HB 2 21 ILE HG13 2.853 2.039 3.667 2.468 2.460 2.487 . 0 0 "[ . 1]" 1 909 1 21 ILE HB 1 21 ILE HG12 2.666 . 3.377 2.440 2.423 2.448 . 0 0 "[ . 1]" 1 910 2 21 ILE HB 2 21 ILE HG12 2.666 . 3.377 2.440 2.426 2.447 . 0 0 "[ . 1]" 1 911 1 25 LYS HB2 1 25 LYS HG2 2.751 . 3.508 3.009 2.991 3.013 . 0 0 "[ . 1]" 1 912 2 25 LYS HB2 2 25 LYS HG2 2.751 . 3.508 3.009 2.993 3.014 . 0 0 "[ . 1]" 1 913 1 25 LYS HB3 1 25 LYS HG2 2.828 2.028 3.628 2.468 2.408 2.581 . 0 0 "[ . 1]" 1 914 2 25 LYS HB3 2 25 LYS HG2 2.828 2.028 3.628 2.467 2.404 2.581 . 0 0 "[ . 1]" 1 915 1 56 ILE MD 1 56 ILE HG12 2.386 . 2.955 2.118 2.117 2.119 . 0 0 "[ . 1]" 1 916 2 56 ILE MD 2 56 ILE HG12 2.386 . 2.955 2.118 2.117 2.119 . 0 0 "[ . 1]" 1 917 1 21 ILE MG 1 27 ILE HG12 3.979 2.395 5.563 4.663 4.587 4.738 . 0 0 "[ . 1]" 1 918 2 21 ILE MG 2 27 ILE HG12 3.979 2.395 5.563 4.664 4.589 4.738 . 0 0 "[ . 1]" 1 919 1 27 ILE HG12 1 27 ILE MG 2.387 . 2.957 2.382 2.361 2.409 . 0 0 "[ . 1]" 1 920 2 27 ILE HG12 2 27 ILE MG 2.387 . 2.957 2.381 2.359 2.407 . 0 0 "[ . 1]" 1 921 1 27 ILE MD 1 27 ILE HG13 2.324 . 2.864 2.119 2.117 2.120 . 0 0 "[ . 1]" 1 922 2 27 ILE MD 2 27 ILE HG13 2.324 . 2.864 2.120 2.118 2.123 . 0 0 "[ . 1]" 1 923 1 14 ILE HG12 1 14 ILE MG 3.491 2.272 4.710 2.381 2.351 2.404 . 0 0 "[ . 1]" 1 924 2 14 ILE HG12 2 14 ILE MG 3.491 2.272 4.710 2.381 2.351 2.401 . 0 0 "[ . 1]" 1 925 1 7 LYS HD2 1 7 LYS HE2 2.789 2.011 3.567 2.469 2.439 2.502 . 0 0 "[ . 1]" 1 926 2 7 LYS HD2 2 7 LYS HE2 2.789 2.011 3.567 2.471 2.442 2.503 . 0 0 "[ . 1]" 1 927 1 53 VAL HA 1 53 VAL HB 2.912 2.064 3.760 2.495 2.460 2.533 . 0 0 "[ . 1]" 1 928 2 53 VAL HA 2 53 VAL HB 2.912 2.064 3.760 2.495 2.460 2.532 . 0 0 "[ . 1]" 1 929 1 7 LYS HA 1 7 LYS HB3 2.921 2.068 3.774 2.352 2.315 2.429 . 0 0 "[ . 1]" 1 930 2 7 LYS HA 2 7 LYS HB3 2.921 2.068 3.774 2.352 2.315 2.429 . 0 0 "[ . 1]" 1 931 1 59 LYS HA 1 59 LYS HB2 2.888 2.054 3.722 2.628 2.403 3.024 . 0 0 "[ . 1]" 1 932 2 59 LYS HA 2 59 LYS HB2 2.888 2.054 3.722 2.628 2.403 3.022 . 0 0 "[ . 1]" 1 933 1 24 LYS HA 1 24 LYS HB3 3.003 2.101 3.905 2.450 2.394 2.518 . 0 0 "[ . 1]" 1 934 2 24 LYS HA 2 24 LYS HB3 3.003 2.101 3.905 2.450 2.394 2.518 . 0 0 "[ . 1]" 1 935 1 23 GLU HA 1 23 GLU HB3 2.711 . 3.446 2.917 2.481 3.027 . 0 0 "[ . 1]" 1 936 2 23 GLU HA 2 23 GLU HB3 2.711 . 3.446 2.917 2.480 3.026 . 0 0 "[ . 1]" 1 937 1 50 ARG HB2 1 50 ARG QD 3.793 2.354 5.232 2.884 2.469 3.078 . 0 0 "[ . 1]" 1 938 2 50 ARG HB2 2 50 ARG QD 3.793 2.354 5.232 2.886 2.470 3.082 . 0 0 "[ . 1]" 1 939 1 41 CYS HB3 2 38 ALA MB 3.148 2.157 4.139 2.652 2.458 2.953 . 0 0 "[ . 1]" 1 940 1 38 ALA MB 2 41 CYS HB3 3.148 2.157 4.139 2.646 2.469 2.906 . 0 0 "[ . 1]" 1 941 1 41 CYS HB2 2 38 ALA MB 2.724 . 3.466 2.115 2.021 2.309 . 0 0 "[ . 1]" 1 942 1 38 ALA MB 2 41 CYS HB2 2.724 . 3.466 2.110 2.012 2.293 . 0 0 "[ . 1]" 1 943 1 51 GLU HA 1 51 GLU HG2 3.325 2.220 4.430 2.986 2.513 3.782 . 0 0 "[ . 1]" 1 944 2 51 GLU HA 2 51 GLU HG2 3.325 2.220 4.430 2.986 2.514 3.776 . 0 0 "[ . 1]" 1 945 1 51 GLU HA 1 51 GLU HG3 3.062 2.124 4.000 3.425 2.999 3.778 . 0 0 "[ . 1]" 1 946 2 51 GLU HA 2 51 GLU HG3 3.062 2.124 4.000 3.426 2.999 3.776 . 0 0 "[ . 1]" 1 947 1 49 GLU HA 1 49 GLU HG2 2.939 2.075 3.803 2.672 2.552 3.013 . 0 0 "[ . 1]" 1 948 2 49 GLU HA 2 49 GLU HG2 2.939 2.075 3.803 2.671 2.552 3.009 . 0 0 "[ . 1]" 1 949 1 23 GLU HA 1 23 GLU HG3 3.372 2.235 4.509 2.874 2.527 3.718 . 0 0 "[ . 1]" 1 950 2 23 GLU HA 2 23 GLU HG3 3.372 2.235 4.509 2.874 2.523 3.716 . 0 0 "[ . 1]" 1 951 1 51 GLU H 1 51 GLU HG3 4.115 2.422 5.808 2.977 2.282 3.802 0.140 9 0 "[ . 1]" 1 952 2 51 GLU H 2 51 GLU HG3 4.115 2.422 5.808 2.977 2.272 3.800 0.150 9 0 "[ . 1]" 1 953 1 49 GLU H 1 49 GLU HG2 2.991 2.096 3.886 3.663 2.866 3.913 0.027 1 0 "[ . 1]" 1 954 2 49 GLU H 2 49 GLU HG2 2.991 2.096 3.886 3.662 2.859 3.914 0.028 1 0 "[ . 1]" 1 955 1 23 GLU H 1 23 GLU HG3 4.564 2.481 6.647 4.175 2.195 4.520 0.286 8 0 "[ . 1]" 1 956 2 23 GLU H 2 23 GLU HG3 4.564 2.481 6.647 4.176 2.198 4.517 0.283 8 0 "[ . 1]" 1 957 1 23 GLU HG2 1 24 LYS H 4.592 2.484 6.700 4.025 3.317 5.008 . 0 0 "[ . 1]" 1 958 2 23 GLU HG2 2 24 LYS H 4.592 2.484 6.700 4.027 3.317 5.007 . 0 0 "[ . 1]" 1 959 1 23 GLU HG3 1 24 LYS H 4.636 2.487 6.785 4.489 3.879 4.853 . 0 0 "[ . 1]" 1 960 2 23 GLU HG3 2 24 LYS H 4.636 2.487 6.785 4.490 3.889 4.860 . 0 0 "[ . 1]" 1 961 1 52 ALA HA 1 55 GLY HA2 4.597 2.484 6.710 5.853 5.599 6.143 . 0 0 "[ . 1]" 1 962 2 52 ALA HA 2 55 GLY HA2 4.597 2.484 6.710 5.851 5.598 6.149 . 0 0 "[ . 1]" 1 963 1 3 ASP HA 1 3 ASP HB3 2.841 2.034 3.648 2.972 2.534 3.037 . 0 0 "[ . 1]" 1 964 2 3 ASP HA 2 3 ASP HB3 2.841 2.034 3.648 2.972 2.537 3.036 . 0 0 "[ . 1]" 1 965 1 3 ASP HA 1 3 ASP HB2 3.044 2.118 3.970 2.574 2.437 3.017 . 0 0 "[ . 1]" 1 966 2 3 ASP HA 2 3 ASP HB2 3.044 2.118 3.970 2.574 2.439 3.018 . 0 0 "[ . 1]" 1 967 1 24 LYS HA 1 24 LYS HG3 2.911 2.064 3.758 3.140 2.971 3.243 . 0 0 "[ . 1]" 1 968 2 24 LYS HA 2 24 LYS HG3 2.911 2.064 3.758 3.140 2.969 3.243 . 0 0 "[ . 1]" 1 969 1 24 LYS HA 1 24 LYS HB2 2.695 . 3.421 3.021 3.017 3.024 . 0 0 "[ . 1]" 1 970 2 24 LYS HA 2 24 LYS HB2 2.695 . 3.421 3.021 3.016 3.024 . 0 0 "[ . 1]" 1 971 1 57 LEU HA 1 57 LEU HB2 2.762 . 3.525 3.016 3.014 3.018 . 0 0 "[ . 1]" 1 972 2 57 LEU HA 2 57 LEU HB2 2.762 . 3.525 3.015 3.014 3.017 . 0 0 "[ . 1]" 1 973 1 57 LEU HA 1 57 LEU HG 3.014 2.105 3.923 3.154 3.063 3.305 . 0 0 "[ . 1]" 1 974 2 57 LEU HA 2 57 LEU HG 3.014 2.105 3.923 3.154 3.064 3.305 . 0 0 "[ . 1]" 1 975 1 57 LEU HA 1 57 LEU HB3 3.108 2.142 4.074 2.479 2.457 2.506 . 0 0 "[ . 1]" 1 976 2 57 LEU HA 2 57 LEU HB3 3.108 2.142 4.074 2.479 2.459 2.505 . 0 0 "[ . 1]" 1 977 1 56 ILE MG 1 57 LEU HA 3.805 2.357 5.253 3.506 3.280 3.808 . 0 0 "[ . 1]" 1 978 2 56 ILE MG 2 57 LEU HA 3.805 2.357 5.253 3.505 3.276 3.808 . 0 0 "[ . 1]" 1 979 1 30 ASP HA 1 33 ASP QB 2.929 2.071 3.787 2.932 2.634 3.146 . 0 0 "[ . 1]" 1 980 2 30 ASP HA 2 33 ASP QB 2.929 2.071 3.787 2.934 2.639 3.142 . 0 0 "[ . 1]" 1 981 1 30 ASP HA 1 30 ASP HB3 2.756 . 3.515 2.917 2.431 3.030 . 0 0 "[ . 1]" 1 982 2 30 ASP HA 2 30 ASP HB3 2.756 . 3.515 2.917 2.432 3.029 . 0 0 "[ . 1]" 1 983 1 30 ASP HA 1 30 ASP HB2 2.920 2.067 3.773 2.532 2.430 3.022 . 0 0 "[ . 1]" 1 984 2 30 ASP HA 2 30 ASP HB2 2.920 2.067 3.773 2.532 2.431 3.022 . 0 0 "[ . 1]" 1 985 1 10 ILE MG 1 11 ALA HA 3.330 2.221 4.439 3.482 3.289 3.587 . 0 0 "[ . 1]" 1 986 2 10 ILE MG 2 11 ALA HA 3.330 2.221 4.439 3.484 3.291 3.592 . 0 0 "[ . 1]" 1 987 1 11 ALA HA 1 14 ILE MG 3.543 2.288 4.798 3.555 3.365 3.758 . 0 0 "[ . 1]" 1 988 2 11 ALA HA 2 14 ILE MG 3.543 2.288 4.798 3.554 3.365 3.757 . 0 0 "[ . 1]" 1 989 1 25 LYS HA 1 25 LYS HG2 2.714 . 3.450 2.471 2.393 2.561 . 0 0 "[ . 1]" 1 990 2 25 LYS HA 2 25 LYS HG2 2.714 . 3.450 2.470 2.390 2.561 . 0 0 "[ . 1]" 1 991 1 51 GLU HA 1 51 GLU HB3 2.499 . 3.123 2.456 2.432 2.507 . 0 0 "[ . 1]" 1 992 2 51 GLU HA 2 51 GLU HB3 2.499 . 3.123 2.457 2.432 2.507 . 0 0 "[ . 1]" 1 993 1 51 GLU HA 1 52 ALA MB 4.991 2.500 7.482 4.920 4.874 4.961 . 0 0 "[ . 1]" 1 994 2 51 GLU HA 2 52 ALA MB 4.991 2.500 7.482 4.920 4.881 4.961 . 0 0 "[ . 1]" 1 995 1 51 GLU HA 1 53 VAL MG1 4.339 2.456 6.222 4.080 3.846 4.290 . 0 0 "[ . 1]" 1 996 2 51 GLU HA 2 53 VAL MG1 4.339 2.456 6.222 4.079 3.849 4.287 . 0 0 "[ . 1]" 1 997 1 27 ILE HG12 1 28 SER HA 4.597 2.484 6.710 4.396 4.264 4.509 . 0 0 "[ . 1]" 1 998 2 27 ILE HG12 2 28 SER HA 4.597 2.484 6.710 4.396 4.265 4.507 . 0 0 "[ . 1]" 1 999 1 28 SER HA 1 29 GLU QG 4.873 2.499 7.247 3.758 3.556 3.946 . 0 0 "[ . 1]" 1 1000 2 28 SER HA 2 29 GLU QG 4.873 2.499 7.247 3.758 3.563 3.943 . 0 0 "[ . 1]" 1 1001 1 13 LEU HA 1 13 LEU MD2 2.546 . 3.194 2.016 1.961 2.145 . 0 0 "[ . 1]" 1 1002 2 13 LEU HA 2 13 LEU MD2 2.546 . 3.194 2.015 1.960 2.142 . 0 0 "[ . 1]" 1 1003 1 13 LEU HA 1 16 ASN HB2 2.761 . 3.523 3.536 3.270 3.750 0.227 1 0 "[ . 1]" 1 1004 2 13 LEU HA 2 16 ASN HB2 2.761 . 3.523 3.537 3.272 3.749 0.226 1 0 "[ . 1]" 1 1005 1 40 ASP HA 1 40 ASP HB3 2.935 2.074 3.796 2.952 2.621 3.027 . 0 0 "[ . 1]" 1 1006 2 40 ASP HA 2 40 ASP HB3 2.935 2.074 3.796 2.952 2.620 3.029 . 0 0 "[ . 1]" 1 1007 1 33 ASP HA 1 33 ASP QB 2.496 . 3.119 2.355 2.305 2.446 . 0 0 "[ . 1]" 1 1008 2 33 ASP HA 2 33 ASP QB 2.496 . 3.119 2.355 2.306 2.447 . 0 0 "[ . 1]" 1 1009 1 40 ASP HA 1 50 ARG QD 3.147 2.157 4.137 3.408 3.049 4.073 . 0 0 "[ . 1]" 1 1010 2 40 ASP HA 2 50 ARG QD 3.147 2.157 4.137 3.406 3.053 4.071 . 0 0 "[ . 1]" 1 1011 1 40 ASP HA 1 40 ASP HB2 3.087 2.134 4.040 2.562 2.422 2.987 . 0 0 "[ . 1]" 1 1012 2 40 ASP HA 2 40 ASP HB2 3.087 2.134 4.040 2.562 2.421 2.985 . 0 0 "[ . 1]" 1 1013 1 35 LEU HA 1 35 LEU HB2 3.080 2.132 4.028 3.018 3.016 3.019 . 0 0 "[ . 1]" 1 1014 2 35 LEU HA 2 35 LEU HB2 3.080 2.132 4.028 3.018 3.016 3.020 . 0 0 "[ . 1]" 1 1015 1 38 ALA HA 1 38 ALA MB 2.110 . 2.555 2.131 2.129 2.134 . 0 0 "[ . 1]" 1 1016 2 38 ALA HA 2 38 ALA MB 2.110 . 2.555 2.132 2.130 2.134 . 0 0 "[ . 1]" 1 1017 1 21 ILE MG 1 26 GLU HA 4.798 2.496 7.100 4.421 4.204 4.578 . 0 0 "[ . 1]" 1 1018 2 21 ILE MG 2 26 GLU HA 4.798 2.496 7.100 4.422 4.204 4.582 . 0 0 "[ . 1]" 1 1019 1 9 GLU HA 1 56 ILE MG 2.428 . 3.018 2.012 1.906 2.126 . 0 0 "[ . 1]" 1 1020 2 9 GLU HA 2 56 ILE MG 2.428 . 3.018 2.012 1.905 2.123 . 0 0 "[ . 1]" 1 1021 1 9 GLU HA 1 9 GLU HG3 3.174 2.166 4.182 3.044 2.840 3.240 . 0 0 "[ . 1]" 1 1022 2 9 GLU HA 2 9 GLU HG3 3.174 2.166 4.182 3.044 2.837 3.236 . 0 0 "[ . 1]" 1 1023 1 9 GLU HA 1 9 GLU HB3 2.636 . 3.331 2.453 2.398 2.488 . 0 0 "[ . 1]" 1 1024 2 9 GLU HA 2 9 GLU HB3 2.636 . 3.331 2.453 2.398 2.489 . 0 0 "[ . 1]" 1 1025 1 9 GLU HA 1 9 GLU HB2 3.429 2.253 4.605 3.024 3.020 3.027 . 0 0 "[ . 1]" 1 1026 2 9 GLU HA 2 9 GLU HB2 3.429 2.253 4.605 3.023 3.019 3.026 . 0 0 "[ . 1]" 1 1027 1 9 GLU HA 1 9 GLU HG2 2.828 2.028 3.628 2.652 2.421 2.752 . 0 0 "[ . 1]" 1 1028 2 9 GLU HA 2 9 GLU HG2 2.828 2.028 3.628 2.653 2.421 2.750 . 0 0 "[ . 1]" 1 1029 1 22 VAL MG2 1 23 GLU HA 3.304 2.212 4.396 3.295 3.240 3.393 . 0 0 "[ . 1]" 1 1030 2 22 VAL MG2 2 23 GLU HA 3.304 2.212 4.396 3.295 3.238 3.400 . 0 0 "[ . 1]" 1 1031 1 50 ARG HA 1 50 ARG HB2 2.416 . 3.000 3.021 3.015 3.024 0.024 4 0 "[ . 1]" 1 1032 2 50 ARG HA 2 50 ARG HB2 2.416 . 3.000 3.021 3.016 3.026 0.026 4 0 "[ . 1]" 1 1033 1 23 GLU HA 1 23 GLU HG2 3.039 2.116 3.962 3.144 2.520 3.732 . 0 0 "[ . 1]" 1 1034 2 23 GLU HA 2 23 GLU HG2 3.039 2.116 3.962 3.145 2.520 3.734 . 0 0 "[ . 1]" 1 1035 1 23 GLU HA 1 23 GLU HB2 2.810 2.020 3.600 2.577 2.419 3.021 . 0 0 "[ . 1]" 1 1036 2 23 GLU HA 2 23 GLU HB2 2.810 2.020 3.600 2.577 2.420 3.021 . 0 0 "[ . 1]" 1 1037 1 44 GLU HA 1 44 GLU HG2 3.096 2.138 4.054 3.447 2.893 3.763 . 0 0 "[ . 1]" 1 1038 2 44 GLU HA 2 44 GLU HG2 3.096 2.138 4.054 3.446 2.889 3.759 . 0 0 "[ . 1]" 1 1039 1 44 GLU HA 1 44 GLU HB3 2.698 . 3.426 3.021 3.011 3.025 . 0 0 "[ . 1]" 1 1040 2 44 GLU HA 2 44 GLU HB3 2.698 . 3.426 3.021 3.012 3.025 . 0 0 "[ . 1]" 1 1041 1 44 GLU HA 1 44 GLU HB2 2.870 2.047 3.693 2.495 2.442 2.571 . 0 0 "[ . 1]" 1 1042 2 44 GLU HA 2 44 GLU HB2 2.870 2.047 3.693 2.495 2.441 2.570 . 0 0 "[ . 1]" 1 1043 1 8 GLU HA 1 11 ALA MB 2.559 . 3.214 2.687 2.506 2.946 . 0 0 "[ . 1]" 1 1044 2 8 GLU HA 2 11 ALA MB 2.559 . 3.214 2.686 2.504 2.946 . 0 0 "[ . 1]" 1 1045 1 8 GLU HA 1 8 GLU HB2 3.073 2.129 4.017 2.557 2.416 3.027 . 0 0 "[ . 1]" 1 1046 2 8 GLU HA 2 8 GLU HB2 3.073 2.129 4.017 2.556 2.419 3.025 . 0 0 "[ . 1]" 1 1047 1 8 GLU HA 1 46 PHE HB3 3.698 2.330 5.066 3.599 3.085 4.267 . 0 0 "[ . 1]" 1 1048 2 8 GLU HA 2 46 PHE HB3 3.698 2.330 5.066 3.600 3.081 4.266 . 0 0 "[ . 1]" 1 1049 1 8 GLU HA 1 8 GLU HG2 3.558 2.292 4.824 3.175 2.913 3.718 . 0 0 "[ . 1]" 1 1050 2 8 GLU HA 2 8 GLU HG2 3.558 2.292 4.824 3.174 2.916 3.716 . 0 0 "[ . 1]" 1 1051 1 8 GLU HA 1 8 GLU HG3 2.912 2.064 3.760 2.735 2.521 3.741 . 0 0 "[ . 1]" 1 1052 2 8 GLU HA 2 8 GLU HG3 2.912 2.064 3.760 2.737 2.518 3.742 . 0 0 "[ . 1]" 1 1053 1 8 GLU HA 1 8 GLU HB3 2.961 2.084 3.838 2.923 2.485 3.026 . 0 0 "[ . 1]" 1 1054 2 8 GLU HA 2 8 GLU HB3 2.961 2.084 3.838 2.923 2.485 3.026 . 0 0 "[ . 1]" 1 1055 1 39 MET HA 1 42 ILE MD 2.334 . 2.879 2.144 2.088 2.207 . 0 0 "[ . 1]" 1 1056 2 39 MET HA 2 42 ILE MD 2.334 . 2.879 2.144 2.088 2.204 . 0 0 "[ . 1]" 1 1057 1 39 MET HA 1 42 ILE HB 2.746 . 3.500 2.583 2.454 2.714 . 0 0 "[ . 1]" 1 1058 2 39 MET HA 2 42 ILE HB 2.746 . 3.500 2.583 2.453 2.716 . 0 0 "[ . 1]" 1 1059 1 39 MET HA 1 39 MET HG2 2.667 . 3.379 2.464 2.421 2.506 . 0 0 "[ . 1]" 1 1060 2 39 MET HA 2 39 MET HG2 2.667 . 3.379 2.463 2.419 2.507 . 0 0 "[ . 1]" 1 1061 1 39 MET HA 1 39 MET HG3 3.264 2.198 4.330 3.025 2.976 3.082 . 0 0 "[ . 1]" 1 1062 2 39 MET HA 2 39 MET HG3 3.264 2.198 4.330 3.024 2.974 3.083 . 0 0 "[ . 1]" 1 1063 1 15 VAL HA 1 39 MET HA 4.768 2.495 7.041 4.014 3.853 4.190 . 0 0 "[ . 1]" 1 1064 2 15 VAL HA 2 39 MET HA 4.768 2.495 7.041 4.014 3.852 4.188 . 0 0 "[ . 1]" 1 1065 1 20 SER HA 1 23 GLU HB2 2.767 2.002 3.532 3.174 2.449 3.506 . 0 0 "[ . 1]" 1 1066 2 20 SER HA 2 23 GLU HB2 2.767 2.002 3.532 3.175 2.453 3.522 . 0 0 "[ . 1]" 1 1067 1 17 TYR HA 1 17 TYR HB3 3.239 2.190 4.288 3.025 3.020 3.027 . 0 0 "[ . 1]" 1 1068 2 17 TYR HA 2 17 TYR HB3 3.239 2.190 4.288 3.025 3.020 3.028 . 0 0 "[ . 1]" 1 1069 1 17 TYR HA 1 17 TYR HB2 2.855 2.040 3.670 2.473 2.386 2.519 . 0 0 "[ . 1]" 1 1070 2 17 TYR HA 2 17 TYR HB2 2.855 2.040 3.670 2.473 2.386 2.519 . 0 0 "[ . 1]" 1 1071 1 54 SER HB3 1 57 LEU HB2 5.602 2.464 8.740 5.079 4.785 5.788 . 0 0 "[ . 1]" 1 1072 2 54 SER HB3 2 57 LEU HB2 5.602 2.464 8.740 5.078 4.772 5.791 . 0 0 "[ . 1]" 1 1073 1 54 SER HB3 1 57 LEU HB3 5.185 2.497 7.873 6.659 6.289 7.519 . 0 0 "[ . 1]" 1 1074 2 54 SER HB3 2 57 LEU HB3 5.185 2.497 7.873 6.658 6.275 7.523 . 0 0 "[ . 1]" 1 1075 1 53 VAL MG2 1 54 SER HB3 3.830 2.363 5.297 3.433 3.125 4.057 . 0 0 "[ . 1]" 1 1076 2 53 VAL MG2 2 54 SER HB3 3.830 2.363 5.297 3.435 3.126 4.057 . 0 0 "[ . 1]" 1 1077 1 54 SER HB3 1 57 LEU MD1 3.925 2.384 5.466 4.673 4.114 5.754 0.288 4 0 "[ . 1]" 1 1078 2 54 SER HB3 2 57 LEU MD1 3.925 2.384 5.466 4.673 4.104 5.753 0.287 4 0 "[ . 1]" 1 1079 1 53 VAL MG1 1 54 SER HB3 5.143 2.498 7.788 5.960 5.787 6.201 . 0 0 "[ . 1]" 1 1080 2 53 VAL MG1 2 54 SER HB3 5.143 2.498 7.788 5.963 5.789 6.201 . 0 0 "[ . 1]" 1 1081 1 34 SER HB2 2 45 ALA MB 3.766 2.348 5.184 2.966 2.033 3.663 0.315 1 0 "[ . 1]" 1 1082 1 45 ALA MB 2 34 SER HB2 3.766 2.348 5.184 2.959 2.024 3.638 0.324 1 0 "[ . 1]" 1 1083 1 34 SER HB3 2 45 ALA MB 2.826 2.027 3.625 2.413 2.062 2.946 . 0 0 "[ . 1]" 1 1084 1 45 ALA MB 2 34 SER HB3 2.826 2.027 3.625 2.405 2.060 2.923 . 0 0 "[ . 1]" 1 1085 1 2 VAL HA 1 2 VAL HB 2.546 . 3.194 2.461 2.402 2.604 . 0 0 "[ . 1]" 1 1086 2 2 VAL HA 2 2 VAL HB 2.546 . 3.194 2.460 2.402 2.603 . 0 0 "[ . 1]" 1 1087 1 53 VAL MG2 1 54 SER HA 3.754 2.345 5.163 3.306 3.216 3.412 . 0 0 "[ . 1]" 1 1088 2 53 VAL MG2 2 54 SER HA 3.754 2.345 5.163 3.307 3.219 3.412 . 0 0 "[ . 1]" 1 1089 1 54 SER HA 1 57 LEU MD1 3.789 2.353 5.225 2.993 2.345 3.343 0.008 10 0 "[ . 1]" 1 1090 2 54 SER HA 2 57 LEU MD1 3.789 2.353 5.225 2.992 2.344 3.342 0.009 10 0 "[ . 1]" 1 1091 1 17 TYR HA 1 21 ILE HG12 4.166 2.430 5.902 4.146 3.967 4.313 . 0 0 "[ . 1]" 1 1092 2 17 TYR HA 2 21 ILE HG12 4.166 2.430 5.902 4.146 3.965 4.313 . 0 0 "[ . 1]" 1 1093 1 43 SER HB2 1 50 ARG QG 5.028 2.500 7.556 3.745 2.414 5.495 0.086 2 0 "[ . 1]" 1 1094 2 43 SER HB2 2 50 ARG QG 5.028 2.500 7.556 3.745 2.418 5.500 0.082 2 0 "[ . 1]" 1 1095 1 41 CYS HA 1 41 CYS HB3 2.726 . 3.469 2.466 2.448 2.491 . 0 0 "[ . 1]" 1 1096 2 41 CYS HA 2 41 CYS HB3 2.726 . 3.469 2.466 2.446 2.489 . 0 0 "[ . 1]" 1 1097 1 41 CYS HA 1 41 CYS HB2 3.375 2.236 4.514 3.025 3.022 3.028 . 0 0 "[ . 1]" 1 1098 2 41 CYS HA 2 41 CYS HB2 3.375 2.236 4.514 3.025 3.021 3.029 . 0 0 "[ . 1]" 1 1099 1 41 CYS HA 1 44 GLU HG2 4.648 2.487 6.809 4.572 4.177 5.270 . 0 0 "[ . 1]" 1 1100 2 41 CYS HA 2 44 GLU HG2 4.648 2.487 6.809 4.572 4.172 5.261 . 0 0 "[ . 1]" 1 1101 1 41 CYS HA 1 44 GLU HB3 3.266 2.199 4.333 2.698 2.269 3.168 . 0 0 "[ . 1]" 1 1102 2 41 CYS HA 2 44 GLU HB3 3.266 2.199 4.333 2.698 2.268 3.170 . 0 0 "[ . 1]" 1 1103 1 41 CYS HA 1 44 GLU HB2 3.060 2.123 3.997 3.370 2.864 4.117 0.120 10 0 "[ . 1]" 1 1104 2 41 CYS HA 2 44 GLU HB2 3.060 2.123 3.997 3.370 2.862 4.113 0.116 10 0 "[ . 1]" 1 1105 1 21 ILE HA 1 21 ILE HG12 2.947 2.078 3.816 3.039 2.983 3.101 . 0 0 "[ . 1]" 1 1106 2 21 ILE HA 2 21 ILE HG12 2.947 2.078 3.816 3.040 2.987 3.106 . 0 0 "[ . 1]" 1 1107 1 21 ILE HA 1 21 ILE MD 2.149 . 2.611 1.984 1.955 2.010 . 0 0 "[ . 1]" 1 1108 2 21 ILE HA 2 21 ILE MD 2.149 . 2.611 1.983 1.951 2.012 . 0 0 "[ . 1]" 1 1109 1 21 ILE HA 1 21 ILE HG13 3.408 2.246 4.570 3.698 3.680 3.720 . 0 0 "[ . 1]" 1 1110 2 21 ILE HA 2 21 ILE HG13 3.408 2.246 4.570 3.698 3.682 3.721 . 0 0 "[ . 1]" 1 1111 1 70 ILE HA 1 70 ILE HG12 3.198 2.175 4.221 2.850 2.422 3.697 . 0 0 "[ . 1]" 1 1112 2 70 ILE HA 2 70 ILE HG12 3.198 2.175 4.221 2.849 2.424 3.697 . 0 0 "[ . 1]" 1 1113 1 21 ILE HA 1 26 GLU QG 3.585 2.300 4.870 3.378 2.240 4.043 0.060 8 0 "[ . 1]" 1 1114 2 21 ILE HA 2 26 GLU QG 3.585 2.300 4.870 3.376 2.240 4.042 0.060 8 0 "[ . 1]" 1 1115 1 21 ILE HA 1 26 GLU HB2 2.962 2.085 3.839 2.950 2.464 3.307 . 0 0 "[ . 1]" 1 1116 2 21 ILE HA 2 26 GLU HB2 2.962 2.085 3.839 2.950 2.466 3.309 . 0 0 "[ . 1]" 1 1117 1 41 CYS HA 2 38 ALA MB 4.685 2.490 6.880 4.436 4.287 4.741 . 0 0 "[ . 1]" 1 1118 1 38 ALA MB 2 41 CYS HA 4.685 2.490 6.880 4.431 4.292 4.727 . 0 0 "[ . 1]" 1 1119 1 68 ALA MB 1 73 SER HB2 5.089 2.499 7.679 6.913 4.442 8.371 0.692 4 1 "[ +. 1]" 1 1120 2 68 ALA MB 2 73 SER HB2 5.089 2.499 7.679 6.912 4.444 8.361 0.682 4 1 "[ +. 1]" 1 1121 1 56 ILE HA 1 56 ILE MG 2.588 . 3.258 2.362 2.319 2.388 . 0 0 "[ . 1]" 1 1122 2 56 ILE HA 2 56 ILE MG 2.588 . 3.258 2.360 2.317 2.387 . 0 0 "[ . 1]" 1 1123 1 56 ILE HA 1 56 ILE HG13 3.218 2.182 4.254 3.064 3.003 3.154 . 0 0 "[ . 1]" 1 1124 2 56 ILE HA 2 56 ILE HG13 3.218 2.182 4.254 3.064 3.009 3.153 . 0 0 "[ . 1]" 1 1125 1 56 ILE HA 1 59 LYS QE 4.451 2.470 6.432 3.412 1.936 4.487 0.534 2 1 "[ + . 1]" 1 1126 2 56 ILE HA 2 59 LYS QE 4.451 2.470 6.432 3.413 1.933 4.487 0.537 2 1 "[ + . 1]" 1 1127 1 22 VAL HA 1 22 VAL HB 2.761 . 3.523 2.437 2.424 2.448 . 0 0 "[ . 1]" 1 1128 2 22 VAL HA 2 22 VAL HB 2.761 . 3.523 2.438 2.426 2.449 . 0 0 "[ . 1]" 1 1129 1 22 VAL HA 1 27 ILE HB 4.666 2.488 6.844 5.225 5.100 5.351 . 0 0 "[ . 1]" 1 1130 2 22 VAL HA 2 27 ILE HB 4.666 2.488 6.844 5.226 5.101 5.353 . 0 0 "[ . 1]" 1 1131 1 22 VAL HA 1 32 ALA MB 3.338 2.224 4.452 3.206 2.955 3.483 . 0 0 "[ . 1]" 1 1132 2 22 VAL HA 2 32 ALA MB 3.338 2.224 4.452 3.206 2.955 3.483 . 0 0 "[ . 1]" 1 1133 1 22 VAL HA 1 22 VAL MG1 2.195 . 2.677 2.351 2.325 2.373 . 0 0 "[ . 1]" 1 1134 2 22 VAL HA 2 22 VAL MG1 2.195 . 2.677 2.351 2.324 2.373 . 0 0 "[ . 1]" 1 1135 1 37 VAL HA 1 37 VAL MG2 2.787 2.010 3.564 3.215 3.212 3.218 . 0 0 "[ . 1]" 1 1136 2 37 VAL HA 2 37 VAL MG2 2.787 2.010 3.564 3.216 3.211 3.220 . 0 0 "[ . 1]" 1 1137 1 37 VAL HA 1 40 ASP HB2 3.114 2.144 4.084 3.004 2.405 3.641 . 0 0 "[ . 1]" 1 1138 2 37 VAL HA 2 40 ASP HB2 3.114 2.144 4.084 3.007 2.404 3.643 . 0 0 "[ . 1]" 1 1139 1 37 VAL HA 1 40 ASP HB3 3.489 2.272 4.706 2.907 2.374 4.233 . 0 0 "[ . 1]" 1 1140 2 37 VAL HA 2 40 ASP HB3 3.489 2.272 4.706 2.906 2.374 4.239 . 0 0 "[ . 1]" 1 1141 1 15 VAL HA 1 18 PHE HB2 3.696 2.330 5.062 2.929 2.764 3.033 . 0 0 "[ . 1]" 1 1142 2 15 VAL HA 2 18 PHE HB2 3.696 2.330 5.062 2.929 2.765 3.030 . 0 0 "[ . 1]" 1 1143 1 15 VAL HA 1 39 MET HG2 2.764 . 3.528 2.247 2.150 2.367 . 0 0 "[ . 1]" 1 1144 2 15 VAL HA 2 39 MET HG2 2.764 . 3.528 2.248 2.152 2.368 . 0 0 "[ . 1]" 1 1145 1 15 VAL HA 1 15 VAL HB 2.706 . 3.438 2.461 2.444 2.472 . 0 0 "[ . 1]" 1 1146 2 15 VAL HA 2 15 VAL HB 2.706 . 3.438 2.462 2.444 2.472 . 0 0 "[ . 1]" 1 1147 1 37 VAL HA 1 38 ALA MB 4.950 2.499 7.401 4.998 4.988 5.005 . 0 0 "[ . 1]" 1 1148 2 37 VAL HA 2 38 ALA MB 4.950 2.499 7.401 4.997 4.987 5.006 . 0 0 "[ . 1]" 1 1149 1 37 VAL HA 1 38 ALA H 3.636 2.314 4.958 3.498 3.487 3.519 . 0 0 "[ . 1]" 1 1150 2 37 VAL HA 2 38 ALA H 3.636 2.314 4.958 3.498 3.487 3.518 . 0 0 "[ . 1]" 1 1151 1 6 SER H 1 6 SER HB3 2.811 2.021 3.601 3.317 2.430 3.703 0.102 5 0 "[ . 1]" 1 1152 2 6 SER H 2 6 SER HB3 2.811 2.021 3.601 3.318 2.429 3.701 0.100 5 0 "[ . 1]" 1 1153 1 28 SER HB2 1 29 GLU H 4.001 2.400 5.602 3.570 2.615 3.977 . 0 0 "[ . 1]" 1 1154 2 28 SER HB2 2 29 GLU H 4.001 2.400 5.602 3.570 2.609 3.987 . 0 0 "[ . 1]" 1 1155 1 28 SER HB3 1 30 ASP H 3.501 2.276 4.726 3.803 3.209 4.693 . 0 0 "[ . 1]" 1 1156 2 28 SER HB3 2 30 ASP H 3.501 2.276 4.726 3.802 3.218 4.689 . 0 0 "[ . 1]" 1 1157 1 73 SER H 1 73 SER HB2 2.824 2.026 3.622 2.819 2.499 3.598 . 0 0 "[ . 1]" 1 1158 2 73 SER H 2 73 SER HB2 2.824 2.026 3.622 2.817 2.491 3.598 . 0 0 "[ . 1]" 1 1159 1 28 SER HB3 1 29 GLU H 2.847 2.036 3.658 3.257 2.406 3.879 0.221 1 0 "[ . 1]" 1 1160 2 28 SER HB3 2 29 GLU H 2.847 2.036 3.658 3.257 2.394 3.883 0.225 1 0 "[ . 1]" 1 1161 1 15 VAL HA 1 18 PHE QD 4.093 2.417 5.769 2.603 2.496 2.778 . 0 0 "[ . 1]" 1 1162 2 15 VAL HA 2 18 PHE QD 4.093 2.417 5.769 2.604 2.495 2.780 . 0 0 "[ . 1]" 1 1163 1 15 VAL H 1 15 VAL HA 2.862 2.043 3.681 2.838 2.831 2.851 . 0 0 "[ . 1]" 1 1164 2 15 VAL H 2 15 VAL HA 2.862 2.043 3.681 2.838 2.831 2.851 . 0 0 "[ . 1]" 1 1165 1 15 VAL HA 1 18 PHE H 3.674 2.324 5.024 3.322 3.206 3.466 . 0 0 "[ . 1]" 1 1166 2 15 VAL HA 2 18 PHE H 3.674 2.324 5.024 3.323 3.210 3.467 . 0 0 "[ . 1]" 1 1167 1 15 VAL HA 1 19 SER H 4.170 2.431 5.909 3.988 3.870 4.065 . 0 0 "[ . 1]" 1 1168 2 15 VAL HA 2 19 SER H 4.170 2.431 5.909 3.988 3.873 4.063 . 0 0 "[ . 1]" 1 1169 1 15 VAL HA 1 16 ASN HA 4.764 2.495 7.033 4.817 4.779 4.854 . 0 0 "[ . 1]" 1 1170 2 15 VAL HA 2 16 ASN HA 4.764 2.495 7.033 4.815 4.776 4.854 . 0 0 "[ . 1]" 1 1171 1 42 ILE HB 1 43 SER HA 4.901 2.499 7.303 4.230 4.190 4.282 . 0 0 "[ . 1]" 1 1172 2 42 ILE HB 2 43 SER HA 4.901 2.499 7.303 4.231 4.188 4.284 . 0 0 "[ . 1]" 1 1173 1 15 VAL QG 1 43 SER HA 4.288 2.449 6.127 3.733 3.486 4.010 . 0 0 "[ . 1]" 1 1174 2 15 VAL QG 2 43 SER HA 4.288 2.449 6.127 3.733 3.489 4.008 . 0 0 "[ . 1]" 1 1175 1 42 ILE MG 1 43 SER HA 3.581 2.298 4.864 3.395 3.283 3.545 . 0 0 "[ . 1]" 1 1176 2 42 ILE MG 2 43 SER HA 3.581 2.298 4.864 3.396 3.286 3.548 . 0 0 "[ . 1]" 1 1177 1 43 SER HA 1 43 SER HB3 2.905 2.061 3.749 2.531 2.360 3.025 . 0 0 "[ . 1]" 1 1178 2 43 SER HA 2 43 SER HB3 2.905 2.061 3.749 2.531 2.360 3.027 . 0 0 "[ . 1]" 1 1179 1 43 SER HA 1 43 SER HB2 2.866 2.045 3.687 2.830 2.418 3.029 . 0 0 "[ . 1]" 1 1180 2 43 SER HA 2 43 SER HB2 2.866 2.045 3.687 2.831 2.420 3.029 . 0 0 "[ . 1]" 1 1181 1 40 ASP HA 1 43 SER HB3 3.827 2.362 5.292 4.025 2.322 4.809 0.040 2 0 "[ . 1]" 1 1182 2 40 ASP HA 2 43 SER HB3 3.827 2.362 5.292 4.024 2.316 4.809 0.046 2 0 "[ . 1]" 1 1183 1 40 ASP HA 1 43 SER HB2 4.012 2.402 5.622 3.238 2.456 4.486 . 0 0 "[ . 1]" 1 1184 2 40 ASP HA 2 43 SER HB2 4.012 2.402 5.622 3.236 2.458 4.475 . 0 0 "[ . 1]" 1 1185 1 48 PHE HA 1 48 PHE QD 4.460 2.471 6.449 3.729 3.714 3.742 . 0 0 "[ . 1]" 1 1186 2 48 PHE HA 2 48 PHE QD 4.460 2.471 6.449 3.730 3.713 3.743 . 0 0 "[ . 1]" 1 1187 1 62 PHE HA 1 62 PHE HB3 3.138 2.153 4.123 2.499 2.410 2.579 . 0 0 "[ . 1]" 1 1188 2 62 PHE HA 2 62 PHE HB3 3.138 2.153 4.123 2.498 2.410 2.578 . 0 0 "[ . 1]" 1 1189 1 17 TYR HA 1 18 PHE H 4.100 2.419 5.781 3.571 3.563 3.578 . 0 0 "[ . 1]" 1 1190 2 17 TYR HA 2 18 PHE H 4.100 2.419 5.781 3.571 3.562 3.577 . 0 0 "[ . 1]" 1 1191 1 29 GLU HA 1 32 ALA MB 2.405 . 2.984 2.469 2.099 2.781 . 0 0 "[ . 1]" 1 1192 2 29 GLU HA 2 32 ALA MB 2.405 . 2.984 2.468 2.100 2.780 . 0 0 "[ . 1]" 1 1193 1 50 ARG HA 1 53 VAL MG2 3.826 2.362 5.290 4.251 4.061 4.425 . 0 0 "[ . 1]" 1 1194 2 50 ARG HA 2 53 VAL MG2 3.826 2.362 5.290 4.251 4.065 4.425 . 0 0 "[ . 1]" 1 1195 1 27 ILE MG 1 29 GLU HA 3.953 2.390 5.516 4.331 3.790 4.666 . 0 0 "[ . 1]" 1 1196 2 27 ILE MG 2 29 GLU HA 3.953 2.390 5.516 4.331 3.790 4.665 . 0 0 "[ . 1]" 1 1197 1 29 GLU HA 1 29 GLU HB2 2.422 . 3.009 2.963 2.482 3.019 0.010 2 0 "[ . 1]" 1 1198 2 29 GLU HA 2 29 GLU HB2 2.422 . 3.009 2.963 2.482 3.020 0.011 6 0 "[ . 1]" 1 1199 1 29 GLU HA 1 29 GLU QG 3.091 2.135 4.047 2.681 2.397 3.340 . 0 0 "[ . 1]" 1 1200 2 29 GLU HA 2 29 GLU QG 3.091 2.135 4.047 2.680 2.396 3.338 . 0 0 "[ . 1]" 1 1201 1 14 ILE HA 1 14 ILE MG 2.562 . 3.218 2.508 2.472 2.533 . 0 0 "[ . 1]" 1 1202 2 14 ILE HA 2 14 ILE MG 2.562 . 3.218 2.508 2.473 2.532 . 0 0 "[ . 1]" 1 1203 1 14 ILE HA 1 14 ILE HG12 2.864 2.044 3.684 2.447 2.416 2.493 . 0 0 "[ . 1]" 1 1204 2 14 ILE HA 2 14 ILE HG12 2.864 2.044 3.684 2.447 2.415 2.494 . 0 0 "[ . 1]" 1 1205 1 42 ILE HA 1 42 ILE HG13 3.200 2.176 4.224 2.965 2.938 3.000 . 0 0 "[ . 1]" 1 1206 2 42 ILE HA 2 42 ILE HG13 3.200 2.176 4.224 2.965 2.938 3.004 . 0 0 "[ . 1]" 1 1207 1 14 ILE HA 1 14 ILE HG13 2.690 . 3.414 2.828 2.797 2.912 . 0 0 "[ . 1]" 1 1208 2 14 ILE HA 2 14 ILE HG13 2.690 . 3.414 2.828 2.797 2.911 . 0 0 "[ . 1]" 1 1209 1 14 ILE HA 1 14 ILE HB 3.317 2.217 4.417 3.010 3.005 3.016 . 0 0 "[ . 1]" 1 1210 2 14 ILE HA 2 14 ILE HB 3.317 2.217 4.417 3.010 3.006 3.016 . 0 0 "[ . 1]" 1 1211 1 6 SER HA 1 6 SER HB3 3.109 2.142 4.076 2.544 2.378 3.021 . 0 0 "[ . 1]" 1 1212 2 6 SER HA 2 6 SER HB3 3.109 2.142 4.076 2.544 2.377 3.023 . 0 0 "[ . 1]" 1 1213 1 42 ILE HA 2 35 LEU MD2 3.324 2.219 4.429 2.438 2.346 2.570 . 0 0 "[ . 1]" 1 1214 1 35 LEU MD2 2 42 ILE HA 3.324 2.219 4.429 2.434 2.354 2.575 . 0 0 "[ . 1]" 1 1215 1 33 ASP QB 1 37 VAL MG2 3.774 . 6.000 4.826 4.323 4.923 . 0 0 "[ . 1]" 1 1216 2 33 ASP QB 2 37 VAL MG2 3.774 . 6.000 4.826 4.326 4.923 . 0 0 "[ . 1]" 1 1217 1 32 ALA MB 1 33 ASP QB 5.211 2.495 7.927 3.833 3.728 4.143 . 0 0 "[ . 1]" 1 1218 2 32 ALA MB 2 33 ASP QB 5.211 2.495 7.927 3.833 3.726 4.141 . 0 0 "[ . 1]" 1 1219 1 18 PHE HA 1 21 ILE HB 3.507 2.277 4.737 2.429 2.286 2.557 . 0 0 "[ . 1]" 1 1220 2 18 PHE HA 2 21 ILE HB 3.507 2.277 4.737 2.428 2.283 2.553 . 0 0 "[ . 1]" 1 1221 1 9 GLU HG2 1 10 ILE H 5.787 2.438 9.136 4.930 4.787 5.015 . 0 0 "[ . 1]" 1 1222 2 9 GLU HG2 2 10 ILE H 5.787 2.438 9.136 4.931 4.788 5.013 . 0 0 "[ . 1]" 1 1223 1 9 GLU H 1 9 GLU HG2 4.038 2.407 5.669 3.358 3.122 3.585 . 0 0 "[ . 1]" 1 1224 2 9 GLU H 2 9 GLU HG2 4.038 2.407 5.669 3.359 3.119 3.587 . 0 0 "[ . 1]" 1 1225 1 22 VAL HB 1 23 GLU H 3.061 2.124 3.998 3.853 3.715 3.954 . 0 0 "[ . 1]" 1 1226 2 22 VAL HB 2 23 GLU H 3.061 2.124 3.998 3.852 3.712 3.957 . 0 0 "[ . 1]" 1 1227 1 53 VAL HB 1 54 SER H 3.119 2.146 4.092 3.636 3.515 3.772 . 0 0 "[ . 1]" 1 1228 2 53 VAL HB 2 54 SER H 3.119 2.146 4.092 3.635 3.512 3.776 . 0 0 "[ . 1]" 1 1229 1 13 LEU H 1 53 VAL HB 4.027 2.405 5.649 5.097 4.815 5.409 . 0 0 "[ . 1]" 1 1230 2 13 LEU H 2 53 VAL HB 4.027 2.405 5.649 5.100 4.818 5.410 . 0 0 "[ . 1]" 1 1231 1 7 LYS HB3 1 46 PHE QD 4.799 2.496 7.102 5.463 4.771 5.953 . 0 0 "[ . 1]" 1 1232 2 7 LYS HB3 2 46 PHE QD 4.799 2.496 7.102 5.463 4.770 5.953 . 0 0 "[ . 1]" 1 1233 1 7 LYS HB2 1 46 PHE HZ 3.594 2.302 4.886 3.095 2.694 3.528 . 0 0 "[ . 1]" 1 1234 2 7 LYS HB2 2 46 PHE HZ 3.594 2.302 4.886 3.096 2.693 3.528 . 0 0 "[ . 1]" 1 1235 1 7 LYS HB3 1 46 PHE HZ 3.962 2.392 5.532 4.424 3.908 4.880 . 0 0 "[ . 1]" 1 1236 2 7 LYS HB3 2 46 PHE HZ 3.962 2.392 5.532 4.424 3.912 4.879 . 0 0 "[ . 1]" 1 1237 1 7 LYS HB2 1 46 PHE QD 5.111 2.499 7.723 4.179 3.366 4.818 . 0 0 "[ . 1]" 1 1238 2 7 LYS HB2 2 46 PHE QD 5.111 2.499 7.723 4.178 3.367 4.819 . 0 0 "[ . 1]" 1 1239 1 27 ILE HG13 1 31 GLY HA2 5.666 2.455 8.877 5.348 5.128 5.794 . 0 0 "[ . 1]" 1 1240 2 27 ILE HG13 2 31 GLY HA2 5.666 2.455 8.877 5.349 5.123 5.797 . 0 0 "[ . 1]" 1 1241 1 27 ILE HG12 1 31 GLY HA2 4.862 2.498 7.226 4.237 4.019 4.676 . 0 0 "[ . 1]" 1 1242 2 27 ILE HG12 2 31 GLY HA2 4.862 2.498 7.226 4.237 4.016 4.681 . 0 0 "[ . 1]" 1 1243 1 27 ILE HG13 1 31 GLY HA3 3.925 2.385 5.465 3.709 3.549 4.092 . 0 0 "[ . 1]" 1 1244 2 27 ILE HG13 2 31 GLY HA3 3.925 2.385 5.465 3.710 3.553 4.097 . 0 0 "[ . 1]" 1 1245 1 12 ALA MB 1 57 LEU HG 2.673 . 3.388 2.767 2.525 3.234 . 0 0 "[ . 1]" 1 1246 2 12 ALA MB 2 57 LEU HG 2.673 . 3.388 2.766 2.524 3.229 . 0 0 "[ . 1]" 1 1247 1 39 MET HB3 1 39 MET HG3 3.297 2.210 4.384 3.004 3.001 3.008 . 0 0 "[ . 1]" 1 1248 2 39 MET HB3 2 39 MET HG3 3.297 2.210 4.384 3.004 3.003 3.007 . 0 0 "[ . 1]" 1 1249 1 36 ASN HA 1 39 MET HB3 3.798 2.355 5.241 4.683 4.552 4.749 . 0 0 "[ . 1]" 1 1250 2 36 ASN HA 2 39 MET HB3 3.798 2.355 5.241 4.684 4.551 4.746 . 0 0 "[ . 1]" 1 1251 1 39 MET HA 1 39 MET HB3 3.338 2.224 4.452 2.526 2.496 2.559 . 0 0 "[ . 1]" 1 1252 2 39 MET HA 2 39 MET HB3 3.338 2.224 4.452 2.525 2.493 2.560 . 0 0 "[ . 1]" 1 1253 1 39 MET HB3 1 42 ILE MD 4.318 2.453 6.183 4.244 4.150 4.369 . 0 0 "[ . 1]" 1 1254 2 39 MET HB3 2 42 ILE MD 4.318 2.453 6.183 4.244 4.149 4.365 . 0 0 "[ . 1]" 1 1255 1 8 GLU HA 1 9 GLU HG3 5.211 2.496 7.926 5.325 5.156 5.549 . 0 0 "[ . 1]" 1 1256 2 8 GLU HA 2 9 GLU HG3 5.211 2.496 7.926 5.325 5.158 5.553 . 0 0 "[ . 1]" 1 1257 1 31 GLY HA2 1 32 ALA H 4.029 2.406 5.652 3.553 3.538 3.564 . 0 0 "[ . 1]" 1 1258 2 31 GLY HA2 2 32 ALA H 4.029 2.406 5.652 3.554 3.538 3.564 . 0 0 "[ . 1]" 1 1259 1 50 ARG HA 1 50 ARG QD 4.551 2.480 6.622 3.760 2.911 4.196 . 0 0 "[ . 1]" 1 1260 2 50 ARG HA 2 50 ARG QD 4.551 2.480 6.622 3.760 2.915 4.194 . 0 0 "[ . 1]" 1 1261 1 19 SER HA 1 23 GLU H 4.286 2.449 6.123 3.964 3.555 4.192 . 0 0 "[ . 1]" 1 1262 2 19 SER HA 2 23 GLU H 4.286 2.449 6.123 3.963 3.554 4.195 . 0 0 "[ . 1]" 1 1263 1 20 SER HB2 1 21 ILE H 3.867 2.371 5.363 3.606 2.627 4.023 . 0 0 "[ . 1]" 1 1264 2 20 SER HB2 2 21 ILE H 3.867 2.371 5.363 3.606 2.619 4.018 . 0 0 "[ . 1]" 1 1265 1 20 SER HB3 1 21 ILE H 3.666 2.322 5.010 2.839 2.505 3.745 . 0 0 "[ . 1]" 1 1266 2 20 SER HB3 2 21 ILE H 3.666 2.322 5.010 2.840 2.509 3.729 . 0 0 "[ . 1]" 1 1267 1 20 SER H 1 20 SER HB2 2.997 2.099 3.895 2.501 2.432 2.537 . 0 0 "[ . 1]" 1 1268 2 20 SER H 2 20 SER HB2 2.997 2.099 3.895 2.500 2.429 2.542 . 0 0 "[ . 1]" 1 1269 1 20 SER H 1 20 SER HB3 2.714 . 3.450 2.762 2.469 3.589 0.139 9 0 "[ . 1]" 1 1270 2 20 SER H 2 20 SER HB3 2.714 . 3.450 2.765 2.477 3.590 0.140 9 0 "[ . 1]" 1 1271 1 34 SER H 1 34 SER HB2 3.116 2.145 4.087 2.450 2.354 2.576 . 0 0 "[ . 1]" 1 1272 2 34 SER H 2 34 SER HB2 3.116 2.145 4.087 2.451 2.353 2.581 . 0 0 "[ . 1]" 1 1273 1 2 VAL HA 1 4 SER H 5.097 2.499 7.695 4.161 3.236 5.160 . 0 0 "[ . 1]" 1 1274 2 2 VAL HA 2 4 SER H 5.097 2.499 7.695 4.159 3.235 5.156 . 0 0 "[ . 1]" 1 1275 1 19 SER H 1 19 SER HB3 3.637 2.315 4.959 3.401 2.578 3.602 . 0 0 "[ . 1]" 1 1276 2 19 SER H 2 19 SER HB3 3.637 2.315 4.959 3.400 2.573 3.602 . 0 0 "[ . 1]" 1 1277 1 28 SER HB2 1 30 ASP H 4.617 2.485 6.749 4.130 2.840 5.236 . 0 0 "[ . 1]" 1 1278 2 28 SER HB2 2 30 ASP H 4.617 2.485 6.749 4.131 2.843 5.227 . 0 0 "[ . 1]" 1 1279 1 34 SER HB2 1 35 LEU H 4.326 2.454 6.198 3.456 2.772 3.925 . 0 0 "[ . 1]" 1 1280 2 34 SER HB2 2 35 LEU H 4.326 2.454 6.198 3.453 2.772 3.921 . 0 0 "[ . 1]" 1 1281 1 23 GLU HA 1 24 LYS H 3.429 2.253 4.605 3.546 3.518 3.564 . 0 0 "[ . 1]" 1 1282 2 23 GLU HA 2 24 LYS H 3.429 2.253 4.605 3.547 3.518 3.566 . 0 0 "[ . 1]" 1 1283 1 22 VAL H 1 23 GLU HA 5.432 2.481 8.383 5.158 5.095 5.224 . 0 0 "[ . 1]" 1 1284 2 22 VAL H 2 23 GLU HA 5.432 2.481 8.383 5.158 5.093 5.218 . 0 0 "[ . 1]" 1 1285 1 17 TYR H 1 17 TYR HA 3.237 2.189 4.285 2.824 2.797 2.843 . 0 0 "[ . 1]" 1 1286 2 17 TYR H 2 17 TYR HA 3.237 2.189 4.285 2.824 2.796 2.842 . 0 0 "[ . 1]" 1 1287 1 27 ILE HA 1 27 ILE MD 3.923 2.384 5.462 3.770 3.742 3.803 . 0 0 "[ . 1]" 1 1288 2 27 ILE HA 2 27 ILE MD 3.923 2.384 5.462 3.771 3.743 3.803 . 0 0 "[ . 1]" 1 1289 1 27 ILE HA 1 27 ILE HB 2.359 . 2.916 2.495 2.476 2.512 . 0 0 "[ . 1]" 1 1290 2 27 ILE HA 2 27 ILE HB 2.359 . 2.916 2.495 2.476 2.513 . 0 0 "[ . 1]" 1 1291 1 27 ILE HA 1 27 ILE HG12 3.010 2.104 3.916 3.054 3.026 3.093 . 0 0 "[ . 1]" 1 1292 2 27 ILE HA 2 27 ILE HG12 3.010 2.104 3.916 3.055 3.029 3.092 . 0 0 "[ . 1]" 1 1293 1 27 ILE HA 1 27 ILE HG13 2.731 . 3.477 2.420 2.382 2.467 . 0 0 "[ . 1]" 1 1294 2 27 ILE HA 2 27 ILE HG13 2.731 . 3.477 2.421 2.384 2.464 . 0 0 "[ . 1]" 1 1295 1 46 PHE HA 1 46 PHE HB3 2.856 2.040 3.672 2.482 2.462 2.511 . 0 0 "[ . 1]" 1 1296 2 46 PHE HA 2 46 PHE HB3 2.856 2.040 3.672 2.482 2.461 2.513 . 0 0 "[ . 1]" 1 1297 1 46 PHE HA 1 46 PHE HB2 3.498 2.274 4.722 3.019 3.013 3.020 . 0 0 "[ . 1]" 1 1298 2 46 PHE HA 2 46 PHE HB2 3.498 2.274 4.722 3.018 3.013 3.020 . 0 0 "[ . 1]" 1 1299 1 18 PHE HA 1 18 PHE HB3 3.204 2.178 4.230 2.512 2.491 2.536 . 0 0 "[ . 1]" 1 1300 2 18 PHE HA 2 18 PHE HB3 3.204 2.178 4.230 2.512 2.490 2.535 . 0 0 "[ . 1]" 1 1301 1 18 PHE HA 1 18 PHE HB2 3.536 2.285 4.787 3.019 3.015 3.023 . 0 0 "[ . 1]" 1 1302 2 18 PHE HA 2 18 PHE HB2 3.536 2.285 4.787 3.019 3.015 3.023 . 0 0 "[ . 1]" 1 1303 1 73 SER HA 1 73 SER HB2 2.365 . 2.924 2.778 2.475 3.031 0.107 6 0 "[ . 1]" 1 1304 2 73 SER HA 2 73 SER HB2 2.365 . 2.924 2.778 2.474 3.030 0.106 6 0 "[ . 1]" 1 1305 1 49 GLU HA 1 49 GLU HB3 2.735 . 3.483 2.502 2.472 2.548 . 0 0 "[ . 1]" 1 1306 2 49 GLU HA 2 49 GLU HB3 2.735 . 3.483 2.503 2.472 2.551 . 0 0 "[ . 1]" 1 1307 1 65 GLN HA 1 65 GLN QG 3.317 2.216 4.418 2.852 2.376 3.350 . 0 0 "[ . 1]" 1 1308 2 65 GLN HA 2 65 GLN QG 3.317 2.216 4.418 2.853 2.374 3.350 . 0 0 "[ . 1]" 1 1309 1 65 GLN HA 1 65 GLN QB 2.694 . 3.420 2.298 2.169 2.404 . 0 0 "[ . 1]" 1 1310 2 65 GLN HA 2 65 GLN QB 2.694 . 3.420 2.298 2.169 2.404 . 0 0 "[ . 1]" 1 1311 1 17 TYR HA 1 72 ASN HA 4.271 2.447 6.095 4.387 2.554 6.006 . 0 0 "[ . 1]" 1 1312 2 17 TYR HA 2 72 ASN HA 4.271 2.447 6.095 4.385 2.554 6.001 . 0 0 "[ . 1]" 1 1313 1 17 TYR HA 1 17 TYR QD 3.478 2.269 4.687 2.556 2.286 2.780 . 0 0 "[ . 1]" 1 1314 2 17 TYR HA 2 17 TYR QD 3.478 2.269 4.687 2.557 2.284 2.782 . 0 0 "[ . 1]" 1 1315 1 34 SER HB3 1 35 LEU H 3.275 2.203 4.347 3.229 2.690 3.922 . 0 0 "[ . 1]" 1 1316 2 34 SER HB3 2 35 LEU H 3.275 2.203 4.347 3.226 2.690 3.917 . 0 0 "[ . 1]" 1 1317 1 16 ASN HA 1 19 SER H 4.022 2.404 5.640 3.515 3.357 3.672 . 0 0 "[ . 1]" 1 1318 2 16 ASN HA 2 19 SER H 4.022 2.404 5.640 3.515 3.357 3.669 . 0 0 "[ . 1]" 1 1319 1 30 ASP HA 1 32 ALA H 4.477 2.472 6.482 4.493 4.403 4.589 . 0 0 "[ . 1]" 1 1320 2 30 ASP HA 2 32 ALA H 4.477 2.472 6.482 4.492 4.401 4.593 . 0 0 "[ . 1]" 1 1321 1 30 ASP HA 1 34 SER H 4.351 2.458 6.244 4.300 3.997 4.555 . 0 0 "[ . 1]" 1 1322 2 30 ASP HA 2 34 SER H 4.351 2.458 6.244 4.300 3.990 4.557 . 0 0 "[ . 1]" 1 1323 1 34 SER HA 1 37 VAL HB 4.012 2.402 5.622 5.024 4.996 5.049 . 0 0 "[ . 1]" 1 1324 2 34 SER HA 2 37 VAL HB 4.012 2.402 5.622 5.026 4.998 5.047 . 0 0 "[ . 1]" 1 1325 1 34 SER HA 2 41 CYS HB3 3.948 2.389 5.507 3.333 2.998 3.701 . 0 0 "[ . 1]" 1 1326 1 41 CYS HB3 2 34 SER HA 3.948 2.389 5.507 3.332 2.999 3.704 . 0 0 "[ . 1]" 1 1327 1 33 ASP QB 1 34 SER HA 4.798 2.496 7.100 4.150 3.864 4.242 . 0 0 "[ . 1]" 1 1328 2 33 ASP QB 2 34 SER HA 4.798 2.496 7.100 4.152 3.869 4.250 . 0 0 "[ . 1]" 1 1329 1 22 VAL HA 1 25 LYS HA 3.380 2.237 4.523 2.995 2.797 3.252 . 0 0 "[ . 1]" 1 1330 2 22 VAL HA 2 25 LYS HA 3.380 2.237 4.523 2.996 2.800 3.256 . 0 0 "[ . 1]" 1 1331 1 6 SER HB3 1 7 LYS H 3.842 2.366 5.318 3.343 2.802 4.001 . 0 0 "[ . 1]" 1 1332 2 6 SER HB3 2 7 LYS H 3.842 2.366 5.318 3.343 2.819 3.998 . 0 0 "[ . 1]" 1 1333 1 4 SER HA 1 4 SER HB2 3.253 2.195 4.311 2.510 2.457 2.565 . 0 0 "[ . 1]" 1 1334 2 4 SER HA 2 4 SER HB2 3.253 2.195 4.311 2.509 2.455 2.564 . 0 0 "[ . 1]" 1 1335 1 20 SER HB3 1 72 ASN HA 3.104 . 6.000 4.816 3.112 5.555 . 0 0 "[ . 1]" 1 1336 2 20 SER HB3 2 72 ASN HA 3.104 . 6.000 4.817 3.113 5.551 . 0 0 "[ . 1]" 1 1337 1 4 SER HB2 1 5 ALA H 3.515 2.280 4.750 3.735 1.986 4.511 0.294 8 0 "[ . 1]" 1 1338 2 4 SER HB2 2 5 ALA H 3.515 2.280 4.750 3.735 1.980 4.515 0.300 8 0 "[ . 1]" 1 1339 1 18 PHE QD 1 39 MET HA 5.042 2.500 7.584 4.011 3.831 4.235 . 0 0 "[ . 1]" 1 1340 2 18 PHE QD 2 39 MET HA 5.042 2.500 7.584 4.011 3.832 4.235 . 0 0 "[ . 1]" 1 1341 1 64 GLY H 1 64 GLY HA2 3.228 2.186 4.270 2.646 2.320 2.948 . 0 0 "[ . 1]" 1 1342 2 64 GLY H 2 64 GLY HA2 3.228 2.186 4.270 2.646 2.322 2.949 . 0 0 "[ . 1]" 1 1343 1 64 GLY H 1 64 GLY HA3 3.447 2.259 4.635 2.748 2.327 2.948 . 0 0 "[ . 1]" 1 1344 2 64 GLY H 2 64 GLY HA3 3.447 2.259 4.635 2.749 2.326 2.947 . 0 0 "[ . 1]" 1 1345 1 5 ALA MB 1 9 GLU HB2 3.891 2.377 5.405 3.559 2.737 4.670 . 0 0 "[ . 1]" 1 1346 2 5 ALA MB 2 9 GLU HB2 3.891 2.377 5.405 3.559 2.737 4.671 . 0 0 "[ . 1]" 1 1347 1 24 LYS H 1 24 LYS HG2 3.881 2.375 5.387 3.479 3.251 3.727 . 0 0 "[ . 1]" 1 1348 2 24 LYS H 2 24 LYS HG2 3.881 2.375 5.387 3.481 3.253 3.729 . 0 0 "[ . 1]" 1 1349 1 35 LEU MD2 1 35 LEU HG 2.775 2.005 3.545 2.129 2.127 2.130 . 0 0 "[ . 1]" 1 1350 2 35 LEU MD2 2 35 LEU HG 2.775 2.005 3.545 2.129 2.128 2.130 . 0 0 "[ . 1]" 1 1351 1 57 LEU H 1 57 LEU HG 2.785 2.009 3.561 2.263 2.172 2.353 . 0 0 "[ . 1]" 1 1352 2 57 LEU H 2 57 LEU HG 2.785 2.009 3.561 2.263 2.170 2.358 . 0 0 "[ . 1]" 1 1353 1 24 LYS QE 1 24 LYS HG2 4.088 2.417 5.759 3.009 2.428 3.389 . 0 0 "[ . 1]" 1 1354 2 24 LYS QE 2 24 LYS HG2 4.088 2.417 5.759 3.009 2.428 3.388 . 0 0 "[ . 1]" 1 1355 1 22 VAL H 1 22 VAL MG2 2.474 . 3.086 2.063 2.034 2.099 . 0 0 "[ . 1]" 1 1356 2 22 VAL H 2 22 VAL MG2 2.474 . 3.086 2.061 2.030 2.095 . 0 0 "[ . 1]" 1 1357 1 22 VAL MG2 1 36 ASN HD22 3.245 2.192 4.298 2.979 2.737 3.182 . 0 0 "[ . 1]" 1 1358 2 22 VAL MG2 2 36 ASN HD22 3.245 2.192 4.298 2.973 2.717 3.178 . 0 0 "[ . 1]" 1 1359 1 21 ILE H 1 22 VAL MG2 4.377 2.461 6.293 3.987 3.892 4.046 . 0 0 "[ . 1]" 1 1360 2 21 ILE H 2 22 VAL MG2 4.377 2.461 6.293 3.986 3.889 4.042 . 0 0 "[ . 1]" 1 1361 1 22 VAL MG2 1 36 ASN HD21 3.697 2.330 5.064 4.061 3.708 4.311 . 0 0 "[ . 1]" 1 1362 2 22 VAL MG2 2 36 ASN HD21 3.697 2.330 5.064 4.057 3.698 4.305 . 0 0 "[ . 1]" 1 1363 1 34 SER H 1 37 VAL MG1 4.502 2.475 6.529 5.032 4.933 5.103 . 0 0 "[ . 1]" 1 1364 2 34 SER H 2 37 VAL MG1 4.502 2.475 6.529 5.032 4.935 5.098 . 0 0 "[ . 1]" 1 1365 1 53 VAL H 1 53 VAL MG2 2.526 . 3.164 2.066 1.984 2.142 . 0 0 "[ . 1]" 1 1366 2 53 VAL H 2 53 VAL MG2 2.526 . 3.164 2.068 1.985 2.143 . 0 0 "[ . 1]" 1 1367 1 22 VAL HA 1 22 VAL MG2 2.726 . 3.469 3.218 3.217 3.220 . 0 0 "[ . 1]" 1 1368 2 22 VAL HA 2 22 VAL MG2 2.726 . 3.469 3.218 3.216 3.220 . 0 0 "[ . 1]" 1 1369 1 19 SER HA 1 22 VAL MG2 2.545 . 3.193 2.097 2.005 2.177 . 0 0 "[ . 1]" 1 1370 2 19 SER HA 2 22 VAL MG2 2.545 . 3.193 2.098 2.007 2.177 . 0 0 "[ . 1]" 1 1371 1 22 VAL MG1 1 36 ASN HB2 4.808 2.496 7.120 4.656 4.317 4.863 . 0 0 "[ . 1]" 1 1372 2 22 VAL MG1 2 36 ASN HB2 4.808 2.496 7.120 4.652 4.315 4.859 . 0 0 "[ . 1]" 1 1373 1 50 ARG HB2 1 53 VAL MG1 3.838 2.365 5.311 4.643 4.487 4.733 . 0 0 "[ . 1]" 1 1374 2 50 ARG HB2 2 53 VAL MG1 3.838 2.365 5.311 4.644 4.487 4.733 . 0 0 "[ . 1]" 1 1375 1 53 VAL HB 1 53 VAL MG1 1.984 . 2.378 2.123 2.121 2.124 . 0 0 "[ . 1]" 1 1376 2 53 VAL HB 2 53 VAL MG1 1.984 . 2.378 2.123 2.121 2.125 . 0 0 "[ . 1]" 1 1377 1 15 VAL HB 1 53 VAL MG1 3.160 2.161 4.159 4.130 4.047 4.176 0.017 2 0 "[ . 1]" 1 1378 2 15 VAL HB 2 53 VAL MG1 3.160 2.161 4.159 4.129 4.042 4.176 0.017 2 0 "[ . 1]" 1 1379 1 53 VAL HA 1 53 VAL MG1 2.536 . 3.179 2.283 2.259 2.311 . 0 0 "[ . 1]" 1 1380 2 53 VAL HA 2 53 VAL MG1 2.536 . 3.179 2.283 2.258 2.312 . 0 0 "[ . 1]" 1 1381 1 13 LEU HA 1 53 VAL MG1 3.202 2.177 4.227 4.308 4.278 4.326 0.099 8 0 "[ . 1]" 1 1382 2 13 LEU HA 2 53 VAL MG1 3.202 2.177 4.227 4.309 4.281 4.329 0.102 8 0 "[ . 1]" 1 1383 1 16 ASN HA 1 53 VAL MG1 4.388 2.463 6.313 3.204 2.972 3.469 . 0 0 "[ . 1]" 1 1384 2 16 ASN HA 2 53 VAL MG1 4.388 2.463 6.313 3.203 2.970 3.468 . 0 0 "[ . 1]" 1 1385 1 50 ARG HA 1 53 VAL MG1 2.436 . 3.029 2.561 2.361 2.785 . 0 0 "[ . 1]" 1 1386 2 50 ARG HA 2 53 VAL MG1 2.436 . 3.029 2.561 2.358 2.786 . 0 0 "[ . 1]" 1 1387 1 59 LYS QE 1 59 LYS HG3 3.473 2.267 4.679 2.774 2.323 3.492 . 0 0 "[ . 1]" 1 1388 2 59 LYS QE 2 59 LYS HG3 3.473 2.267 4.679 2.772 2.323 3.491 . 0 0 "[ . 1]" 1 1389 1 59 LYS QE 1 59 LYS HG2 3.205 2.178 4.232 2.925 2.397 3.320 . 0 0 "[ . 1]" 1 1390 2 59 LYS QE 2 59 LYS HG2 3.205 2.178 4.232 2.925 2.395 3.319 . 0 0 "[ . 1]" 1 1391 1 59 LYS HA 1 59 LYS HG3 3.198 2.175 4.221 3.102 2.477 3.748 . 0 0 "[ . 1]" 1 1392 2 59 LYS HA 2 59 LYS HG3 3.198 2.175 4.221 3.101 2.479 3.748 . 0 0 "[ . 1]" 1 1393 1 59 LYS HA 1 59 LYS HG2 3.769 2.348 5.190 3.200 2.544 3.844 . 0 0 "[ . 1]" 1 1394 2 59 LYS HA 2 59 LYS HG2 3.769 2.348 5.190 3.199 2.543 3.840 . 0 0 "[ . 1]" 1 1395 1 52 ALA MB 1 53 VAL HA 3.621 2.310 4.932 4.053 3.956 4.122 . 0 0 "[ . 1]" 1 1396 2 52 ALA MB 2 53 VAL HA 3.621 2.310 4.932 4.054 3.958 4.126 . 0 0 "[ . 1]" 1 1397 1 48 PHE HB3 1 52 ALA MB 4.006 2.401 5.611 5.055 4.700 5.407 . 0 0 "[ . 1]" 1 1398 2 48 PHE HB3 2 52 ALA MB 4.006 2.401 5.611 5.055 4.701 5.406 . 0 0 "[ . 1]" 1 1399 1 48 PHE HB2 1 52 ALA MB 3.280 2.204 4.356 3.572 3.219 3.913 . 0 0 "[ . 1]" 1 1400 2 48 PHE HB2 2 52 ALA MB 3.280 2.204 4.356 3.572 3.217 3.912 . 0 0 "[ . 1]" 1 1401 1 52 ALA HA 1 52 ALA MB 2.010 . 2.414 2.129 2.126 2.130 . 0 0 "[ . 1]" 1 1402 2 52 ALA HA 2 52 ALA MB 2.010 . 2.414 2.129 2.127 2.131 . 0 0 "[ . 1]" 1 1403 1 48 PHE HA 1 52 ALA MB 4.187 2.434 5.940 4.619 4.329 5.049 . 0 0 "[ . 1]" 1 1404 2 48 PHE HA 2 52 ALA MB 4.187 2.434 5.940 4.618 4.329 5.048 . 0 0 "[ . 1]" 1 1405 1 54 SER HB3 1 74 ALA MB 2.432 . 6.000 5.053 3.253 6.081 0.081 8 0 "[ . 1]" 1 1406 2 54 SER HB3 2 74 ALA MB 2.432 . 6.000 5.051 3.237 6.087 0.087 8 0 "[ . 1]" 1 1407 1 74 ALA HA 1 74 ALA MB 3.111 2.143 4.079 2.131 2.126 2.135 0.017 6 0 "[ . 1]" 1 1408 2 74 ALA HA 2 74 ALA MB 3.111 2.143 4.079 2.131 2.127 2.135 0.016 6 0 "[ . 1]" 1 1409 1 2 VAL HB 1 2 VAL MG2 2.097 . 2.537 2.124 2.112 2.130 . 0 0 "[ . 1]" 1 1410 2 2 VAL HB 2 2 VAL MG2 2.097 . 2.537 2.125 2.110 2.131 . 0 0 "[ . 1]" 1 1411 1 50 ARG HA 1 52 ALA MB 5.067 2.500 7.634 4.712 4.480 4.832 . 0 0 "[ . 1]" 1 1412 2 50 ARG HA 2 52 ALA MB 5.067 2.500 7.634 4.712 4.482 4.836 . 0 0 "[ . 1]" 1 1413 1 52 ALA MB 1 55 GLY HA2 4.346 2.457 6.235 5.688 5.479 5.932 . 0 0 "[ . 1]" 1 1414 2 52 ALA MB 2 55 GLY HA2 4.346 2.457 6.235 5.688 5.478 5.931 . 0 0 "[ . 1]" 1 1415 1 4 SER HB2 1 5 ALA MB 4.720 2.492 6.948 5.083 3.777 5.448 . 0 0 "[ . 1]" 1 1416 2 4 SER HB2 2 5 ALA MB 4.720 2.492 6.948 5.084 3.778 5.450 . 0 0 "[ . 1]" 1 1417 1 4 SER HA 1 5 ALA MB 5.197 2.496 7.898 4.157 3.732 4.923 . 0 0 "[ . 1]" 1 1418 2 4 SER HA 2 5 ALA MB 5.197 2.496 7.898 4.157 3.730 4.922 . 0 0 "[ . 1]" 1 1419 1 2 VAL MG2 1 4 SER HA 4.319 2.454 6.184 5.100 3.802 6.247 0.063 2 0 "[ . 1]" 1 1420 2 2 VAL MG2 2 4 SER HA 4.319 2.454 6.184 5.099 3.796 6.245 0.061 2 0 "[ . 1]" 1 1421 1 2 VAL MG2 1 4 SER HB3 4.890 2.499 7.281 4.035 2.550 6.046 . 0 0 "[ . 1]" 1 1422 2 2 VAL MG2 2 4 SER HB3 4.890 2.499 7.281 4.037 2.547 6.056 . 0 0 "[ . 1]" 1 1423 1 39 MET ME 1 39 MET HG3 2.168 . 2.638 2.480 2.458 2.496 . 0 0 "[ . 1]" 1 1424 2 39 MET ME 2 39 MET HG3 2.168 . 2.638 2.482 2.460 2.497 . 0 0 "[ . 1]" 1 1425 1 36 ASN HB2 1 39 MET ME 3.714 2.335 5.093 4.221 4.165 4.286 . 0 0 "[ . 1]" 1 1426 2 36 ASN HB2 2 39 MET ME 3.714 2.335 5.093 4.220 4.163 4.280 . 0 0 "[ . 1]" 1 1427 1 19 SER HA 1 39 MET ME 2.441 . 3.037 2.808 2.684 2.956 . 0 0 "[ . 1]" 1 1428 2 19 SER HA 2 39 MET ME 2.441 . 3.037 2.808 2.685 2.960 . 0 0 "[ . 1]" 1 1429 1 35 LEU HA 1 39 MET ME 3.601 2.304 4.898 4.466 4.241 4.672 . 0 0 "[ . 1]" 1 1430 2 35 LEU HA 2 39 MET ME 3.601 2.304 4.898 4.465 4.243 4.672 . 0 0 "[ . 1]" 1 1431 1 18 PHE HB3 1 39 MET ME 2.613 . 3.296 3.216 3.040 3.313 0.017 7 0 "[ . 1]" 1 1432 2 18 PHE HB3 2 39 MET ME 2.613 . 3.296 3.216 3.043 3.316 0.020 7 0 "[ . 1]" 1 1433 1 36 ASN HA 1 39 MET ME 1.910 . 2.275 1.911 1.871 1.991 . 0 0 "[ . 1]" 1 1434 2 36 ASN HA 2 39 MET ME 1.910 . 2.275 1.911 1.872 1.987 . 0 0 "[ . 1]" 1 1435 1 35 LEU MD2 1 38 ALA MB 3.349 2.227 4.471 3.056 2.981 3.155 . 0 0 "[ . 1]" 1 1436 2 35 LEU MD2 2 38 ALA MB 3.349 2.227 4.471 3.057 2.981 3.156 . 0 0 "[ . 1]" 1 1437 1 32 ALA MB 1 36 ASN HD22 3.420 2.250 4.590 3.312 3.165 3.441 . 0 0 "[ . 1]" 1 1438 2 32 ALA MB 2 36 ASN HD22 3.420 2.250 4.590 3.315 3.176 3.433 . 0 0 "[ . 1]" 1 1439 1 45 ALA MB 2 35 LEU MD2 2.294 . 2.820 2.205 2.173 2.238 . 0 0 "[ . 1]" 1 1440 1 35 LEU MD2 2 45 ALA MB 2.294 . 2.820 2.200 2.173 2.237 . 0 0 "[ . 1]" 1 1441 1 11 ALA MB 1 48 PHE HZ 2.434 . 3.027 2.530 2.397 2.851 . 0 0 "[ . 1]" 1 1442 2 11 ALA MB 2 48 PHE HZ 2.434 . 3.027 2.530 2.395 2.851 . 0 0 "[ . 1]" 1 1443 1 21 ILE MG 1 22 VAL H 3.182 2.169 4.195 3.299 3.178 3.407 . 0 0 "[ . 1]" 1 1444 2 21 ILE MG 2 22 VAL H 3.182 2.169 4.195 3.299 3.178 3.410 . 0 0 "[ . 1]" 1 1445 1 10 ILE MG 1 62 PHE QE 5.008 2.500 7.516 4.523 3.276 5.146 . 0 0 "[ . 1]" 1 1446 2 10 ILE MG 2 62 PHE QE 5.008 2.500 7.516 4.523 3.276 5.149 . 0 0 "[ . 1]" 1 1447 1 32 ALA MB 1 36 ASN HD21 3.731 2.339 5.123 3.235 3.090 3.327 . 0 0 "[ . 1]" 1 1448 2 32 ALA MB 2 36 ASN HD21 3.731 2.339 5.123 3.233 3.090 3.322 . 0 0 "[ . 1]" 1 1449 1 53 VAL H 1 56 ILE MD 4.148 2.427 5.869 4.240 3.976 4.426 . 0 0 "[ . 1]" 1 1450 2 53 VAL H 2 56 ILE MD 4.148 2.427 5.869 4.240 3.971 4.425 . 0 0 "[ . 1]" 1 1451 1 8 GLU HB2 1 56 ILE MD 4.238 2.442 6.034 4.898 4.114 5.808 . 0 0 "[ . 1]" 1 1452 2 8 GLU HB2 2 56 ILE MD 4.238 2.442 6.034 4.897 4.111 5.811 . 0 0 "[ . 1]" 1 1453 1 8 GLU HG2 1 56 ILE MD 3.526 2.283 4.769 2.992 2.260 5.275 0.506 9 1 "[ . +1]" 1 1454 2 8 GLU HG2 2 56 ILE MD 3.526 2.283 4.769 2.990 2.258 5.274 0.505 9 1 "[ . +1]" 1 1455 1 70 ILE HA 1 70 ILE MD 3.536 2.286 4.786 3.752 2.198 4.193 0.088 7 0 "[ . 1]" 1 1456 2 70 ILE HA 2 70 ILE MD 3.536 2.286 4.786 3.751 2.194 4.192 0.092 7 0 "[ . 1]" 1 1457 1 40 ASP HA 1 50 ARG QG 5.074 2.500 7.648 4.452 3.938 4.998 . 0 0 "[ . 1]" 1 1458 2 40 ASP HA 2 50 ARG QG 5.074 2.500 7.648 4.452 3.941 4.996 . 0 0 "[ . 1]" 1 1459 1 13 LEU MD2 1 62 PHE QD 3.455 . 6.000 4.691 3.706 5.706 . 0 0 "[ . 1]" 1 1460 2 13 LEU MD2 2 62 PHE QD 3.455 . 6.000 4.690 3.705 5.703 . 0 0 "[ . 1]" 1 1461 1 13 LEU MD2 1 72 ASN HD21 4.181 2.433 5.929 2.846 2.407 4.840 0.026 6 0 "[ . 1]" 1 1462 2 13 LEU MD2 2 72 ASN HD21 4.181 2.433 5.929 2.845 2.411 4.834 0.022 6 0 "[ . 1]" 1 1463 1 70 ILE H 1 70 ILE HG12 3.684 2.327 5.041 2.988 2.086 3.572 0.241 7 0 "[ . 1]" 1 1464 2 70 ILE H 2 70 ILE HG12 3.684 2.327 5.041 2.987 2.085 3.569 0.242 7 0 "[ . 1]" 1 1465 1 22 VAL MG1 1 27 ILE MD 3.064 2.125 4.003 3.950 3.829 4.019 0.016 8 0 "[ . 1]" 1 1466 2 22 VAL MG1 2 27 ILE MD 3.064 2.125 4.003 3.950 3.833 4.020 0.017 8 0 "[ . 1]" 1 1467 1 23 GLU HB2 1 24 LYS HA 4.520 2.477 6.563 5.370 4.413 5.644 . 0 0 "[ . 1]" 1 1468 2 23 GLU HB2 2 24 LYS HA 4.520 2.477 6.563 5.369 4.413 5.640 . 0 0 "[ . 1]" 1 1469 1 51 GLU HA 1 51 GLU HB2 3.091 2.135 4.047 2.908 2.436 3.024 . 0 0 "[ . 1]" 1 1470 2 51 GLU HA 2 51 GLU HB2 3.091 2.135 4.047 2.909 2.438 3.024 . 0 0 "[ . 1]" 1 1471 1 18 PHE HB2 1 19 SER H 3.153 2.159 4.147 2.793 2.688 2.866 . 0 0 "[ . 1]" 1 1472 2 18 PHE HB2 2 19 SER H 3.153 2.159 4.147 2.793 2.689 2.865 . 0 0 "[ . 1]" 1 1473 1 17 TYR HB2 1 19 SER H 6.108 2.378 9.838 5.696 5.652 5.736 . 0 0 "[ . 1]" 1 1474 2 17 TYR HB2 2 19 SER H 6.108 2.378 9.838 5.696 5.652 5.738 . 0 0 "[ . 1]" 1 1475 1 19 SER H 1 39 MET HG2 4.965 2.500 7.430 4.563 4.380 4.801 . 0 0 "[ . 1]" 1 1476 2 19 SER H 2 39 MET HG2 4.965 2.500 7.430 4.564 4.380 4.801 . 0 0 "[ . 1]" 1 1477 1 19 SER H 1 39 MET ME 3.940 2.387 5.493 3.974 3.921 4.066 . 0 0 "[ . 1]" 1 1478 2 19 SER H 2 39 MET ME 3.940 2.387 5.493 3.974 3.921 4.068 . 0 0 "[ . 1]" 1 1479 1 18 PHE HB3 1 19 SER H 3.781 2.351 5.211 3.717 3.674 3.765 . 0 0 "[ . 1]" 1 1480 2 18 PHE HB3 2 19 SER H 3.781 2.351 5.211 3.717 3.673 3.766 . 0 0 "[ . 1]" 1 1481 1 19 SER H 1 19 SER HB2 2.689 . 3.412 2.506 2.406 2.541 . 0 0 "[ . 1]" 1 1482 2 19 SER H 2 19 SER HB2 2.689 . 3.412 2.506 2.396 2.539 . 0 0 "[ . 1]" 1 1483 1 19 SER H 1 19 SER HA 2.936 2.074 3.798 2.807 2.803 2.815 . 0 0 "[ . 1]" 1 1484 2 19 SER H 2 19 SER HA 2.936 2.074 3.798 2.808 2.803 2.815 . 0 0 "[ . 1]" 1 1485 1 17 TYR QD 1 19 SER H 6.356 2.316 10.396 5.527 5.212 5.716 . 0 0 "[ . 1]" 1 1486 2 17 TYR QD 2 19 SER H 6.356 2.316 10.396 5.526 5.212 5.715 . 0 0 "[ . 1]" 1 1487 1 18 PHE QD 1 19 SER H 5.304 2.491 8.117 4.484 4.410 4.552 . 0 0 "[ . 1]" 1 1488 2 18 PHE QD 2 19 SER H 5.304 2.491 8.117 4.484 4.412 4.553 . 0 0 "[ . 1]" 1 1489 1 18 PHE H 1 19 SER H 3.023 2.109 3.937 2.629 2.605 2.660 . 0 0 "[ . 1]" 1 1490 2 18 PHE H 2 19 SER H 3.023 2.109 3.937 2.629 2.602 2.663 . 0 0 "[ . 1]" 1 1491 1 17 TYR H 1 19 SER H 4.583 2.483 6.683 3.963 3.905 4.030 . 0 0 "[ . 1]" 1 1492 2 17 TYR H 2 19 SER H 4.583 2.483 6.683 3.963 3.906 4.025 . 0 0 "[ . 1]" 1 1493 1 51 GLU H 1 53 VAL H 4.334 2.456 6.212 4.078 3.903 4.186 . 0 0 "[ . 1]" 1 1494 2 51 GLU H 2 53 VAL H 4.334 2.456 6.212 4.076 3.900 4.186 . 0 0 "[ . 1]" 1 1495 1 48 PHE QD 1 51 GLU H 5.487 2.477 8.497 5.584 5.372 5.794 . 0 0 "[ . 1]" 1 1496 2 48 PHE QD 2 51 GLU H 5.487 2.477 8.497 5.586 5.376 5.793 . 0 0 "[ . 1]" 1 1497 1 51 GLU H 1 52 ALA H 2.427 . 3.016 2.337 2.211 2.418 . 0 0 "[ . 1]" 1 1498 2 51 GLU H 2 52 ALA H 2.427 . 3.016 2.336 2.211 2.419 . 0 0 "[ . 1]" 1 1499 1 50 ARG H 1 51 GLU H 2.571 . 3.232 2.260 2.165 2.320 . 0 0 "[ . 1]" 1 1500 2 50 ARG H 2 51 GLU H 2.571 . 3.232 2.264 2.168 2.326 . 0 0 "[ . 1]" 1 1501 1 50 ARG QD 1 51 GLU H 6.158 2.366 9.950 5.140 4.125 5.629 . 0 0 "[ . 1]" 1 1502 2 50 ARG QD 2 51 GLU H 6.158 2.366 9.950 5.141 4.133 5.628 . 0 0 "[ . 1]" 1 1503 1 51 GLU H 1 51 GLU HA 2.695 . 3.421 2.898 2.868 2.915 . 0 0 "[ . 1]" 1 1504 2 51 GLU H 2 51 GLU HA 2.695 . 3.421 2.899 2.872 2.916 . 0 0 "[ . 1]" 1 1505 1 50 ARG HA 1 51 GLU H 3.178 2.168 4.188 3.400 3.362 3.446 . 0 0 "[ . 1]" 1 1506 2 50 ARG HA 2 51 GLU H 3.178 2.168 4.188 3.401 3.360 3.449 . 0 0 "[ . 1]" 1 1507 1 49 GLU HA 1 51 GLU H 4.445 2.469 6.421 3.969 3.861 4.094 . 0 0 "[ . 1]" 1 1508 2 49 GLU HA 2 51 GLU H 4.445 2.469 6.421 3.970 3.867 4.094 . 0 0 "[ . 1]" 1 1509 1 51 GLU H 1 53 VAL MG1 4.380 2.462 6.298 4.333 4.168 4.500 . 0 0 "[ . 1]" 1 1510 2 51 GLU H 2 53 VAL MG1 4.380 2.462 6.298 4.333 4.166 4.502 . 0 0 "[ . 1]" 1 1511 1 51 GLU H 1 52 ALA MB 4.108 2.420 5.796 3.967 3.896 4.101 . 0 0 "[ . 1]" 1 1512 2 51 GLU H 2 52 ALA MB 4.108 2.420 5.796 3.967 3.899 4.103 . 0 0 "[ . 1]" 1 1513 1 51 GLU H 1 51 GLU HG2 2.609 . 3.289 2.909 1.929 3.821 0.532 1 1 "[+ . 1]" 1 1514 2 51 GLU H 2 51 GLU HG2 2.609 . 3.289 2.907 1.916 3.824 0.535 1 1 "[+ . 1]" 1 1515 1 51 GLU H 1 51 GLU HB2 2.421 . 3.007 2.714 2.416 3.632 0.625 2 2 "[ + . - 1]" 1 1516 2 51 GLU H 2 51 GLU HB2 2.421 . 3.007 2.716 2.418 3.633 0.626 2 2 "[ + . - 1]" 1 1517 1 49 GLU HB3 1 51 GLU H 2.349 . 2.901 2.585 2.436 2.760 . 0 0 "[ . 1]" 1 1518 2 49 GLU HB3 2 51 GLU H 2.349 . 2.901 2.583 2.428 2.754 . 0 0 "[ . 1]" 1 1519 1 4 SER HB3 1 5 ALA H 2.998 2.099 3.897 3.222 2.224 4.005 0.108 10 0 "[ . 1]" 1 1520 2 4 SER HB3 2 5 ALA H 2.998 2.099 3.897 3.222 2.227 4.007 0.110 10 0 "[ . 1]" 1 1521 1 4 SER H 1 5 ALA H 4.280 2.449 6.111 3.681 2.614 4.587 . 0 0 "[ . 1]" 1 1522 2 4 SER H 2 5 ALA H 4.280 2.449 6.111 3.682 2.620 4.587 . 0 0 "[ . 1]" 1 1523 1 27 ILE MD 1 32 ALA H 3.370 2.234 4.506 3.414 3.326 3.470 . 0 0 "[ . 1]" 1 1524 2 27 ILE MD 2 32 ALA H 3.370 2.234 4.506 3.415 3.324 3.472 . 0 0 "[ . 1]" 1 1525 1 27 ILE MG 1 32 ALA H 2.512 . 3.143 2.702 2.558 2.893 . 0 0 "[ . 1]" 1 1526 2 27 ILE MG 2 32 ALA H 2.512 . 3.143 2.703 2.564 2.896 . 0 0 "[ . 1]" 1 1527 1 32 ALA H 1 35 LEU MD1 4.022 2.404 5.640 4.451 4.370 4.535 . 0 0 "[ . 1]" 1 1528 2 32 ALA H 2 35 LEU MD1 4.022 2.404 5.640 4.452 4.371 4.538 . 0 0 "[ . 1]" 1 1529 1 32 ALA H 1 32 ALA MB 1.947 . 2.326 2.220 2.215 2.222 . 0 0 "[ . 1]" 1 1530 2 32 ALA H 2 32 ALA MB 1.947 . 2.326 2.220 2.214 2.222 . 0 0 "[ . 1]" 1 1531 1 30 ASP HB3 1 32 ALA H 5.559 2.469 8.649 5.162 4.813 5.811 . 0 0 "[ . 1]" 1 1532 2 30 ASP HB3 2 32 ALA H 5.559 2.469 8.649 5.161 4.812 5.809 . 0 0 "[ . 1]" 1 1533 1 32 ALA H 1 33 ASP QB 4.771 2.494 7.048 4.604 4.554 4.714 . 0 0 "[ . 1]" 1 1534 2 32 ALA H 2 33 ASP QB 4.771 2.494 7.048 4.604 4.551 4.718 . 0 0 "[ . 1]" 1 1535 1 30 ASP HB2 1 32 ALA H 5.356 2.487 8.225 5.748 5.070 6.008 . 0 0 "[ . 1]" 1 1536 2 30 ASP HB2 2 32 ALA H 5.356 2.487 8.225 5.747 5.073 6.008 . 0 0 "[ . 1]" 1 1537 1 22 VAL HB 1 32 ALA H 5.239 2.495 7.983 6.159 6.008 6.328 . 0 0 "[ . 1]" 1 1538 2 22 VAL HB 2 32 ALA H 5.239 2.495 7.983 6.159 6.008 6.329 . 0 0 "[ . 1]" 1 1539 1 29 GLU HB2 1 32 ALA H 4.526 2.478 6.574 5.440 5.075 5.533 . 0 0 "[ . 1]" 1 1540 2 29 GLU HB2 2 32 ALA H 4.526 2.478 6.574 5.441 5.076 5.540 . 0 0 "[ . 1]" 1 1541 1 32 ALA H 1 32 ALA HA 2.475 . 3.088 2.768 2.763 2.776 . 0 0 "[ . 1]" 1 1542 2 32 ALA H 2 32 ALA HA 2.475 . 3.088 2.769 2.762 2.775 . 0 0 "[ . 1]" 1 1543 1 31 GLY HA3 1 32 ALA H 2.666 . 3.377 2.784 2.709 2.864 . 0 0 "[ . 1]" 1 1544 2 31 GLY HA3 2 32 ALA H 2.666 . 3.377 2.784 2.709 2.866 . 0 0 "[ . 1]" 1 1545 1 29 GLU HA 1 32 ALA H 2.978 2.091 3.865 3.419 3.046 3.702 . 0 0 "[ . 1]" 1 1546 2 29 GLU HA 2 32 ALA H 2.978 2.091 3.865 3.418 3.046 3.700 . 0 0 "[ . 1]" 1 1547 1 50 ARG H 1 52 ALA H 5.693 2.452 8.934 3.832 3.696 4.047 . 0 0 "[ . 1]" 1 1548 2 50 ARG H 2 52 ALA H 5.693 2.452 8.934 3.832 3.700 4.051 . 0 0 "[ . 1]" 1 1549 1 48 PHE QD 1 50 ARG H 5.678 2.454 8.902 5.056 4.944 5.341 . 0 0 "[ . 1]" 1 1550 2 48 PHE QD 2 50 ARG H 5.678 2.454 8.902 5.055 4.946 5.337 . 0 0 "[ . 1]" 1 1551 1 49 GLU HB3 1 50 ARG H 2.505 . 3.133 2.615 2.499 2.757 . 0 0 "[ . 1]" 1 1552 2 49 GLU HB3 2 50 ARG H 2.505 . 3.133 2.617 2.506 2.766 . 0 0 "[ . 1]" 1 1553 1 50 ARG H 1 50 ARG QD 5.688 2.453 8.923 3.606 2.042 4.367 0.411 5 0 "[ . 1]" 1 1554 2 50 ARG H 2 50 ARG QD 5.688 2.453 8.923 3.606 2.038 4.361 0.415 5 0 "[ . 1]" 1 1555 1 43 SER HB3 1 50 ARG H 4.885 2.498 7.272 4.866 4.332 6.258 . 0 0 "[ . 1]" 1 1556 2 43 SER HB3 2 50 ARG H 4.885 2.498 7.272 4.864 4.326 6.264 . 0 0 "[ . 1]" 1 1557 1 43 SER HB2 1 50 ARG H 5.297 2.491 8.103 5.316 4.290 6.207 . 0 0 "[ . 1]" 1 1558 2 43 SER HB2 2 50 ARG H 5.297 2.491 8.103 5.313 4.299 6.200 . 0 0 "[ . 1]" 1 1559 1 40 ASP H 1 41 CYS H 2.595 . 3.268 2.700 2.584 2.779 . 0 0 "[ . 1]" 1 1560 2 40 ASP H 2 41 CYS H 2.595 . 3.268 2.698 2.577 2.774 . 0 0 "[ . 1]" 1 1561 1 38 ALA H 1 40 ASP H 3.656 2.319 4.993 4.022 3.908 4.186 . 0 0 "[ . 1]" 1 1562 2 38 ALA H 2 40 ASP H 3.656 2.319 4.993 4.022 3.903 4.188 . 0 0 "[ . 1]" 1 1563 1 39 MET H 1 40 ASP H 2.657 . 3.363 2.749 2.687 2.833 . 0 0 "[ . 1]" 1 1564 2 39 MET H 2 40 ASP H 2.657 . 3.363 2.749 2.688 2.830 . 0 0 "[ . 1]" 1 1565 1 40 ASP H 1 42 ILE H 4.064 2.413 5.715 4.038 3.971 4.127 . 0 0 "[ . 1]" 1 1566 2 40 ASP H 2 42 ILE H 4.064 2.413 5.715 4.038 3.970 4.121 . 0 0 "[ . 1]" 1 1567 1 40 ASP H 1 43 SER H 5.182 2.496 7.868 4.668 4.549 4.754 . 0 0 "[ . 1]" 1 1568 2 40 ASP H 2 43 SER H 5.182 2.496 7.868 4.667 4.549 4.757 . 0 0 "[ . 1]" 1 1569 1 37 VAL H 1 40 ASP H 4.469 2.472 6.466 4.797 4.672 4.941 . 0 0 "[ . 1]" 1 1570 2 37 VAL H 2 40 ASP H 4.469 2.472 6.466 4.798 4.675 4.946 . 0 0 "[ . 1]" 1 1571 1 40 ASP H 1 41 CYS HA 5.073 2.500 7.646 5.305 5.218 5.361 . 0 0 "[ . 1]" 1 1572 2 40 ASP H 2 41 CYS HA 5.073 2.500 7.646 5.304 5.214 5.357 . 0 0 "[ . 1]" 1 1573 1 39 MET HA 1 40 ASP H 3.408 2.246 4.570 3.527 3.504 3.556 . 0 0 "[ . 1]" 1 1574 2 39 MET HA 2 40 ASP H 3.408 2.246 4.570 3.526 3.505 3.554 . 0 0 "[ . 1]" 1 1575 1 37 VAL HA 1 40 ASP H 3.245 2.192 4.298 3.312 3.169 3.431 . 0 0 "[ . 1]" 1 1576 2 37 VAL HA 2 40 ASP H 3.245 2.192 4.298 3.313 3.170 3.432 . 0 0 "[ . 1]" 1 1577 1 40 ASP H 1 40 ASP HA 2.821 2.025 3.617 2.810 2.787 2.835 . 0 0 "[ . 1]" 1 1578 2 40 ASP H 2 40 ASP HA 2.821 2.025 3.617 2.811 2.790 2.837 . 0 0 "[ . 1]" 1 1579 1 40 ASP H 1 40 ASP HB3 2.775 2.005 3.545 2.735 2.466 3.556 0.011 2 0 "[ . 1]" 1 1580 2 40 ASP H 2 40 ASP HB3 2.775 2.005 3.545 2.733 2.461 3.556 0.011 2 0 "[ . 1]" 1 1581 1 39 MET HB2 1 40 ASP H 2.914 2.065 3.763 2.679 2.595 2.751 . 0 0 "[ . 1]" 1 1582 2 39 MET HB2 2 40 ASP H 2.914 2.065 3.763 2.680 2.601 2.751 . 0 0 "[ . 1]" 1 1583 1 40 ASP H 1 40 ASP HB2 2.479 . 3.094 2.477 2.189 2.596 . 0 0 "[ . 1]" 1 1584 2 40 ASP H 2 40 ASP HB2 2.479 . 3.094 2.478 2.195 2.591 . 0 0 "[ . 1]" 1 1585 1 39 MET HB3 1 40 ASP H 2.997 2.099 3.895 3.572 3.455 3.680 . 0 0 "[ . 1]" 1 1586 2 39 MET HB3 2 40 ASP H 2.997 2.099 3.895 3.572 3.458 3.680 . 0 0 "[ . 1]" 1 1587 1 40 ASP H 1 42 ILE HB 4.959 2.500 7.418 5.108 5.012 5.194 . 0 0 "[ . 1]" 1 1588 2 40 ASP H 2 42 ILE HB 4.959 2.500 7.418 5.107 5.013 5.189 . 0 0 "[ . 1]" 1 1589 1 38 ALA MB 1 40 ASP H 4.158 2.429 5.887 4.387 4.305 4.519 . 0 0 "[ . 1]" 1 1590 2 38 ALA MB 2 40 ASP H 4.158 2.429 5.887 4.387 4.303 4.519 . 0 0 "[ . 1]" 1 1591 1 40 ASP H 1 42 ILE MD 4.545 2.479 6.611 5.084 4.994 5.185 . 0 0 "[ . 1]" 1 1592 2 40 ASP H 2 42 ILE MD 4.545 2.479 6.611 5.083 4.989 5.188 . 0 0 "[ . 1]" 1 1593 1 37 VAL MG2 1 40 ASP H 4.189 2.435 5.943 4.989 4.867 5.120 . 0 0 "[ . 1]" 1 1594 2 37 VAL MG2 2 40 ASP H 4.189 2.435 5.943 4.991 4.870 5.120 . 0 0 "[ . 1]" 1 1595 1 53 VAL H 1 56 ILE H 4.899 2.499 7.299 4.923 4.836 5.009 . 0 0 "[ . 1]" 1 1596 2 53 VAL H 2 56 ILE H 4.899 2.499 7.299 4.923 4.837 5.014 . 0 0 "[ . 1]" 1 1597 1 56 ILE H 1 57 LEU H 2.321 . 2.860 2.564 2.451 2.651 . 0 0 "[ . 1]" 1 1598 2 56 ILE H 2 57 LEU H 2.321 . 2.860 2.564 2.449 2.649 . 0 0 "[ . 1]" 1 1599 1 54 SER H 1 56 ILE H 4.198 2.435 5.961 4.118 4.013 4.206 . 0 0 "[ . 1]" 1 1600 2 54 SER H 2 56 ILE H 4.198 2.435 5.961 4.119 4.005 4.215 . 0 0 "[ . 1]" 1 1601 1 53 VAL HA 1 56 ILE H 3.410 2.247 4.573 3.477 3.384 3.607 . 0 0 "[ . 1]" 1 1602 2 53 VAL HA 2 56 ILE H 3.410 2.247 4.573 3.478 3.388 3.613 . 0 0 "[ . 1]" 1 1603 1 56 ILE H 1 56 ILE HA 2.863 2.043 3.683 2.862 2.843 2.875 . 0 0 "[ . 1]" 1 1604 2 56 ILE H 2 56 ILE HA 2.863 2.043 3.683 2.863 2.842 2.876 . 0 0 "[ . 1]" 1 1605 1 55 GLY HA2 1 56 ILE H 2.693 . 3.418 3.544 3.533 3.554 0.136 9 0 "[ . 1]" 1 1606 2 55 GLY HA2 2 56 ILE H 2.693 . 3.418 3.544 3.531 3.556 0.138 9 0 "[ . 1]" 1 1607 1 52 ALA HA 1 56 ILE H 4.598 2.484 6.712 4.754 4.602 4.974 . 0 0 "[ . 1]" 1 1608 2 52 ALA HA 2 56 ILE H 4.598 2.484 6.712 4.753 4.600 4.979 . 0 0 "[ . 1]" 1 1609 1 56 ILE H 1 56 ILE MD 3.833 2.364 5.302 3.557 3.509 3.633 . 0 0 "[ . 1]" 1 1610 2 56 ILE H 2 56 ILE MD 3.833 2.364 5.302 3.557 3.508 3.630 . 0 0 "[ . 1]" 1 1611 1 56 ILE H 1 56 ILE HG13 2.255 . 2.763 2.088 1.974 2.194 . 0 0 "[ . 1]" 1 1612 2 56 ILE H 2 56 ILE HG13 2.255 . 2.763 2.088 1.967 2.192 . 0 0 "[ . 1]" 1 1613 1 56 ILE H 1 56 ILE MG 3.609 2.306 4.912 3.782 3.771 3.794 . 0 0 "[ . 1]" 1 1614 2 56 ILE H 2 56 ILE MG 3.609 2.306 4.912 3.782 3.768 3.793 . 0 0 "[ . 1]" 1 1615 1 12 ALA MB 1 56 ILE H 4.026 2.405 5.647 4.244 4.080 4.420 . 0 0 "[ . 1]" 1 1616 2 12 ALA MB 2 56 ILE H 4.026 2.405 5.647 4.244 4.081 4.414 . 0 0 "[ . 1]" 1 1617 1 56 ILE H 1 56 ILE HB 2.456 . 3.059 2.583 2.529 2.662 . 0 0 "[ . 1]" 1 1618 2 56 ILE H 2 56 ILE HB 2.456 . 3.059 2.584 2.524 2.665 . 0 0 "[ . 1]" 1 1619 1 23 GLU H 1 27 ILE MG 4.885 2.498 7.272 5.580 5.455 5.690 . 0 0 "[ . 1]" 1 1620 2 23 GLU H 2 27 ILE MG 4.885 2.498 7.272 5.580 5.456 5.691 . 0 0 "[ . 1]" 1 1621 1 22 VAL MG2 1 23 GLU H 2.257 . 2.766 2.214 2.058 2.336 . 0 0 "[ . 1]" 1 1622 2 22 VAL MG2 2 23 GLU H 2.257 . 2.766 2.212 2.052 2.338 . 0 0 "[ . 1]" 1 1623 1 23 GLU H 1 24 LYS HG3 4.299 2.451 6.147 4.526 4.248 4.860 . 0 0 "[ . 1]" 1 1624 2 23 GLU H 2 24 LYS HG3 4.299 2.451 6.147 4.529 4.247 4.866 . 0 0 "[ . 1]" 1 1625 1 23 GLU H 1 23 GLU HB2 2.160 . 2.626 2.493 2.391 2.584 . 0 0 "[ . 1]" 1 1626 2 23 GLU H 2 23 GLU HB2 2.160 . 2.626 2.494 2.398 2.585 . 0 0 "[ . 1]" 1 1627 1 23 GLU H 1 23 GLU HG2 3.347 2.227 4.467 4.155 2.327 4.593 0.126 3 0 "[ . 1]" 1 1628 2 23 GLU H 2 23 GLU HG2 3.347 2.227 4.467 4.155 2.331 4.594 0.127 3 0 "[ . 1]" 1 1629 1 21 ILE HA 1 23 GLU H 4.276 2.447 6.105 4.530 4.355 4.891 . 0 0 "[ . 1]" 1 1630 2 21 ILE HA 2 23 GLU H 4.276 2.447 6.105 4.532 4.357 4.893 . 0 0 "[ . 1]" 1 1631 1 23 GLU H 1 23 GLU HA 2.617 . 3.302 2.800 2.786 2.813 . 0 0 "[ . 1]" 1 1632 2 23 GLU H 2 23 GLU HA 2.617 . 3.302 2.800 2.787 2.816 . 0 0 "[ . 1]" 1 1633 1 22 VAL HA 1 23 GLU H 3.280 2.204 4.356 3.519 3.488 3.557 . 0 0 "[ . 1]" 1 1634 2 22 VAL HA 2 23 GLU H 3.280 2.204 4.356 3.520 3.489 3.556 . 0 0 "[ . 1]" 1 1635 1 20 SER HA 1 23 GLU H 3.329 2.221 4.437 3.559 3.300 4.079 . 0 0 "[ . 1]" 1 1636 2 20 SER HA 2 23 GLU H 3.329 2.221 4.437 3.557 3.295 4.081 . 0 0 "[ . 1]" 1 1637 1 23 GLU H 1 24 LYS H 2.521 . 3.157 2.754 2.719 2.800 . 0 0 "[ . 1]" 1 1638 2 23 GLU H 2 24 LYS H 2.521 . 3.157 2.755 2.720 2.802 . 0 0 "[ . 1]" 1 1639 1 22 VAL H 1 23 GLU H 2.433 . 3.025 2.532 2.448 2.622 . 0 0 "[ . 1]" 1 1640 2 22 VAL H 2 23 GLU H 2.433 . 3.025 2.532 2.448 2.617 . 0 0 "[ . 1]" 1 1641 1 21 ILE H 1 23 GLU H 4.032 2.407 5.657 4.060 3.883 4.193 . 0 0 "[ . 1]" 1 1642 2 21 ILE H 2 23 GLU H 4.032 2.407 5.657 4.061 3.881 4.194 . 0 0 "[ . 1]" 1 1643 1 2 VAL HA 1 3 ASP H 2.242 . 2.745 2.432 2.305 2.613 . 0 0 "[ . 1]" 1 1644 2 2 VAL HA 2 3 ASP H 2.242 . 2.745 2.433 2.302 2.609 . 0 0 "[ . 1]" 1 1645 1 3 ASP H 1 4 SER HB2 5.866 2.425 9.307 4.327 3.547 5.115 . 0 0 "[ . 1]" 1 1646 2 3 ASP H 2 4 SER HB2 5.866 2.425 9.307 4.325 3.558 5.111 . 0 0 "[ . 1]" 1 1647 1 3 ASP H 1 4 SER HA 4.678 2.489 6.867 4.473 3.937 5.347 . 0 0 "[ . 1]" 1 1648 2 3 ASP H 2 4 SER HA 4.678 2.489 6.867 4.471 3.941 5.343 . 0 0 "[ . 1]" 1 1649 1 3 ASP H 1 3 ASP HA 2.711 . 3.446 2.771 2.267 2.949 . 0 0 "[ . 1]" 1 1650 2 3 ASP H 2 3 ASP HA 2.711 . 3.446 2.771 2.265 2.950 . 0 0 "[ . 1]" 1 1651 1 3 ASP H 1 4 SER HB3 5.760 2.442 9.078 4.553 3.653 5.240 . 0 0 "[ . 1]" 1 1652 2 3 ASP H 2 4 SER HB3 5.760 2.442 9.078 4.553 3.648 5.249 . 0 0 "[ . 1]" 1 1653 1 3 ASP H 1 3 ASP HB3 3.092 2.136 4.048 3.174 2.621 3.897 . 0 0 "[ . 1]" 1 1654 2 3 ASP H 2 3 ASP HB3 3.092 2.136 4.048 3.175 2.626 3.898 . 0 0 "[ . 1]" 1 1655 1 3 ASP H 1 3 ASP HB2 2.700 . 3.429 3.152 2.434 3.571 0.142 6 0 "[ . 1]" 1 1656 2 3 ASP H 2 3 ASP HB2 2.700 . 3.429 3.150 2.429 3.569 0.140 6 0 "[ . 1]" 1 1657 1 2 VAL HB 1 3 ASP H 2.895 2.057 3.733 2.793 2.072 3.881 0.148 9 0 "[ . 1]" 1 1658 2 2 VAL HB 2 3 ASP H 2.895 2.057 3.733 2.792 2.073 3.883 0.150 9 0 "[ . 1]" 1 1659 1 2 VAL MG2 1 3 ASP H 2.656 . 3.361 2.853 1.851 3.414 0.100 10 0 "[ . 1]" 1 1660 2 2 VAL MG2 2 3 ASP H 2.656 . 3.361 2.852 1.851 3.410 0.100 10 0 "[ . 1]" 1 1661 1 50 ARG HA 1 50 ARG HE 6.193 2.357 10.029 4.660 4.305 5.146 . 0 0 "[ . 1]" 1 1662 2 50 ARG HA 2 50 ARG HE 6.193 2.357 10.029 4.661 4.297 5.147 . 0 0 "[ . 1]" 1 1663 1 50 ARG HB2 1 50 ARG HE 3.785 2.352 5.218 2.249 1.794 3.253 0.558 2 1 "[ + . 1]" 1 1664 2 50 ARG HB2 2 50 ARG HE 3.785 2.352 5.218 2.251 1.800 3.254 0.552 2 1 "[ + . 1]" 1 1665 1 50 ARG HE 1 50 ARG QG 3.744 2.342 4.664 2.627 2.387 2.945 . 0 0 "[ . 1]" 1 1666 2 50 ARG HE 2 50 ARG QG 3.744 2.342 4.664 2.627 2.386 2.945 . 0 0 "[ . 1]" 1 1667 1 21 ILE H 1 22 VAL H 2.602 . 3.279 2.765 2.672 2.807 . 0 0 "[ . 1]" 1 1668 2 21 ILE H 2 22 VAL H 2.602 . 3.279 2.765 2.672 2.814 . 0 0 "[ . 1]" 1 1669 1 19 SER H 1 21 ILE H 4.694 2.491 6.897 4.060 3.875 4.201 . 0 0 "[ . 1]" 1 1670 2 19 SER H 2 21 ILE H 4.694 2.491 6.897 4.059 3.875 4.197 . 0 0 "[ . 1]" 1 1671 1 17 TYR QD 1 21 ILE H 6.039 2.392 9.686 4.894 4.738 5.179 . 0 0 "[ . 1]" 1 1672 2 17 TYR QD 2 21 ILE H 6.039 2.392 9.686 4.895 4.735 5.181 . 0 0 "[ . 1]" 1 1673 1 18 PHE HA 1 21 ILE H 3.507 2.277 4.737 3.060 2.966 3.192 . 0 0 "[ . 1]" 1 1674 2 18 PHE HA 2 21 ILE H 3.507 2.277 4.737 3.060 2.963 3.191 . 0 0 "[ . 1]" 1 1675 1 20 SER HA 1 21 ILE H 3.597 2.303 4.891 3.537 3.503 3.554 . 0 0 "[ . 1]" 1 1676 2 20 SER HA 2 21 ILE H 3.597 2.303 4.891 3.537 3.502 3.554 . 0 0 "[ . 1]" 1 1677 1 21 ILE H 1 21 ILE HA 2.829 2.029 3.629 2.809 2.796 2.847 . 0 0 "[ . 1]" 1 1678 2 21 ILE H 2 21 ILE HA 2.829 2.029 3.629 2.809 2.798 2.847 . 0 0 "[ . 1]" 1 1679 1 18 PHE HB2 1 21 ILE H 5.523 2.473 8.573 5.385 5.315 5.458 . 0 0 "[ . 1]" 1 1680 2 18 PHE HB2 2 21 ILE H 5.523 2.473 8.573 5.385 5.316 5.458 . 0 0 "[ . 1]" 1 1681 1 21 ILE H 1 21 ILE HG13 3.819 2.360 5.278 3.657 3.626 3.687 . 0 0 "[ . 1]" 1 1682 2 21 ILE H 2 21 ILE HG13 3.819 2.360 5.278 3.658 3.624 3.688 . 0 0 "[ . 1]" 1 1683 1 21 ILE H 1 21 ILE HB 2.451 . 3.052 2.510 2.471 2.552 . 0 0 "[ . 1]" 1 1684 2 21 ILE H 2 21 ILE HB 2.451 . 3.052 2.510 2.467 2.556 . 0 0 "[ . 1]" 1 1685 1 21 ILE H 1 21 ILE HG12 2.365 . 2.924 2.194 2.142 2.248 . 0 0 "[ . 1]" 1 1686 2 21 ILE H 2 21 ILE HG12 2.365 . 2.924 2.194 2.137 2.250 . 0 0 "[ . 1]" 1 1687 1 17 TYR H 1 17 TYR HB3 3.127 2.149 4.105 2.585 2.383 2.684 . 0 0 "[ . 1]" 1 1688 2 17 TYR H 2 17 TYR HB3 3.127 2.149 4.105 2.585 2.386 2.682 . 0 0 "[ . 1]" 1 1689 1 17 TYR H 1 17 TYR HB2 3.209 2.179 4.239 2.558 2.482 2.675 . 0 0 "[ . 1]" 1 1690 2 17 TYR H 2 17 TYR HB2 3.209 2.179 4.239 2.558 2.481 2.675 . 0 0 "[ . 1]" 1 1691 1 15 VAL HA 1 17 TYR H 4.496 2.474 6.518 4.116 3.985 4.202 . 0 0 "[ . 1]" 1 1692 2 15 VAL HA 2 17 TYR H 4.496 2.474 6.518 4.116 3.984 4.203 . 0 0 "[ . 1]" 1 1693 1 17 TYR H 1 17 TYR QD 5.841 2.430 9.252 4.205 4.163 4.230 . 0 0 "[ . 1]" 1 1694 2 17 TYR H 2 17 TYR QD 5.841 2.430 9.252 4.205 4.166 4.233 . 0 0 "[ . 1]" 1 1695 1 14 ILE H 1 14 ILE HB 2.616 . 3.300 2.380 2.342 2.434 . 0 0 "[ . 1]" 1 1696 2 14 ILE H 2 14 ILE HB 2.616 . 3.300 2.380 2.340 2.432 . 0 0 "[ . 1]" 1 1697 1 14 ILE H 1 14 ILE HA 3.235 2.188 4.282 2.793 2.785 2.803 . 0 0 "[ . 1]" 1 1698 2 14 ILE H 2 14 ILE HA 3.235 2.188 4.282 2.793 2.784 2.802 . 0 0 "[ . 1]" 1 1699 1 14 ILE H 1 15 VAL H 3.516 2.280 4.752 2.887 2.817 2.938 . 0 0 "[ . 1]" 1 1700 2 14 ILE H 2 15 VAL H 3.516 2.280 4.752 2.888 2.816 2.943 . 0 0 "[ . 1]" 1 1701 1 11 ALA H 1 48 PHE HZ 4.945 2.500 7.390 5.639 5.444 5.912 . 0 0 "[ . 1]" 1 1702 2 11 ALA H 2 48 PHE HZ 4.945 2.500 7.390 5.640 5.445 5.912 . 0 0 "[ . 1]" 1 1703 1 11 ALA H 2 17 TYR QE 5.747 2.444 9.050 4.136 3.714 4.608 . 0 0 "[ . 1]" 1 1704 1 17 TYR QE 2 11 ALA H 5.747 2.444 9.050 4.133 3.714 4.592 . 0 0 "[ . 1]" 1 1705 1 9 GLU H 1 11 ALA H 3.962 2.392 5.532 4.220 4.066 4.338 . 0 0 "[ . 1]" 1 1706 2 9 GLU H 2 11 ALA H 3.962 2.392 5.532 4.220 4.063 4.334 . 0 0 "[ . 1]" 1 1707 1 8 GLU H 1 11 ALA H 4.609 2.484 6.734 4.679 4.609 4.747 . 0 0 "[ . 1]" 1 1708 2 8 GLU H 2 11 ALA H 4.609 2.484 6.734 4.679 4.608 4.747 . 0 0 "[ . 1]" 1 1709 1 43 SER HA 1 45 ALA H 4.057 2.411 5.703 4.228 3.904 4.500 . 0 0 "[ . 1]" 1 1710 2 43 SER HA 2 45 ALA H 4.057 2.411 5.703 4.225 3.908 4.500 . 0 0 "[ . 1]" 1 1711 1 45 ALA H 1 46 PHE HB2 4.814 2.496 7.132 5.111 4.861 5.282 . 0 0 "[ . 1]" 1 1712 2 45 ALA H 2 46 PHE HB2 4.814 2.496 7.132 5.109 4.862 5.281 . 0 0 "[ . 1]" 1 1713 1 10 ILE HA 1 11 ALA H 3.662 2.321 5.003 3.567 3.552 3.581 . 0 0 "[ . 1]" 1 1714 2 10 ILE HA 2 11 ALA H 3.662 2.321 5.003 3.566 3.552 3.581 . 0 0 "[ . 1]" 1 1715 1 11 ALA H 1 11 ALA HA 2.530 . 3.170 2.774 2.759 2.786 . 0 0 "[ . 1]" 1 1716 2 11 ALA H 2 11 ALA HA 2.530 . 3.170 2.774 2.759 2.787 . 0 0 "[ . 1]" 1 1717 1 7 LYS HA 1 11 ALA H 4.026 2.405 5.647 3.771 3.678 3.887 . 0 0 "[ . 1]" 1 1718 2 7 LYS HA 2 11 ALA H 4.026 2.405 5.647 3.772 3.679 3.887 . 0 0 "[ . 1]" 1 1719 1 10 ILE HB 1 11 ALA H 2.469 . 3.078 2.518 2.345 2.661 . 0 0 "[ . 1]" 1 1720 2 10 ILE HB 2 11 ALA H 2.469 . 3.078 2.518 2.346 2.661 . 0 0 "[ . 1]" 1 1721 1 9 GLU HA 1 11 ALA H 4.347 2.457 6.237 4.688 4.505 4.829 . 0 0 "[ . 1]" 1 1722 2 9 GLU HA 2 11 ALA H 4.347 2.457 6.237 4.687 4.509 4.831 . 0 0 "[ . 1]" 1 1723 1 45 ALA H 2 35 LEU MD2 3.593 2.302 4.884 4.246 4.125 4.325 . 0 0 "[ . 1]" 1 1724 1 35 LEU MD2 2 45 ALA H 3.593 2.302 4.884 4.240 4.111 4.330 . 0 0 "[ . 1]" 1 1725 1 45 ALA H 1 45 ALA MB 2.021 . 2.430 2.236 2.209 2.265 . 0 0 "[ . 1]" 1 1726 2 45 ALA H 2 45 ALA MB 2.021 . 2.430 2.236 2.210 2.265 . 0 0 "[ . 1]" 1 1727 1 13 LEU H 1 57 LEU MD2 2.699 . 3.427 2.512 2.240 2.754 . 0 0 "[ . 1]" 1 1728 2 13 LEU H 2 57 LEU MD2 2.699 . 3.427 2.512 2.238 2.757 . 0 0 "[ . 1]" 1 1729 1 13 LEU H 1 13 LEU MD2 3.736 2.340 5.132 3.850 3.554 3.978 . 0 0 "[ . 1]" 1 1730 2 13 LEU H 2 13 LEU MD2 3.736 2.340 5.132 3.849 3.552 3.976 . 0 0 "[ . 1]" 1 1731 1 10 ILE MG 1 11 ALA H 3.460 2.263 4.657 3.374 3.218 3.469 . 0 0 "[ . 1]" 1 1732 2 10 ILE MG 2 11 ALA H 3.460 2.263 4.657 3.375 3.220 3.469 . 0 0 "[ . 1]" 1 1733 1 11 ALA H 1 14 ILE MD 3.718 2.336 5.100 3.688 3.535 3.870 . 0 0 "[ . 1]" 1 1734 2 11 ALA H 2 14 ILE MD 3.718 2.336 5.100 3.688 3.535 3.868 . 0 0 "[ . 1]" 1 1735 1 11 ALA H 1 11 ALA MB 2.044 . 2.462 2.229 2.218 2.236 . 0 0 "[ . 1]" 1 1736 2 11 ALA H 2 11 ALA MB 2.044 . 2.462 2.229 2.220 2.234 . 0 0 "[ . 1]" 1 1737 1 49 GLU HB3 1 52 ALA H 2.710 . 3.444 3.375 3.174 3.512 0.068 8 0 "[ . 1]" 1 1738 2 49 GLU HB3 2 52 ALA H 2.710 . 3.444 3.372 3.175 3.511 0.067 8 0 "[ . 1]" 1 1739 1 49 GLU HB2 1 52 ALA H 2.734 . 3.482 2.980 2.692 3.308 . 0 0 "[ . 1]" 1 1740 2 49 GLU HB2 2 52 ALA H 2.734 . 3.482 2.981 2.693 3.314 . 0 0 "[ . 1]" 1 1741 1 14 ILE H 1 14 ILE MD 3.652 2.318 4.986 3.542 3.485 3.604 . 0 0 "[ . 1]" 1 1742 2 14 ILE H 2 14 ILE MD 3.652 2.318 4.986 3.542 3.487 3.602 . 0 0 "[ . 1]" 1 1743 1 14 ILE H 1 14 ILE HG12 2.772 2.004 3.540 3.533 3.436 3.589 0.049 2 0 "[ . 1]" 1 1744 2 14 ILE H 2 14 ILE HG12 2.772 2.004 3.540 3.534 3.438 3.593 0.053 2 0 "[ . 1]" 1 1745 1 34 SER HB2 1 36 ASN H 5.140 2.498 7.782 5.450 5.072 5.732 . 0 0 "[ . 1]" 1 1746 2 34 SER HB2 2 36 ASN H 5.140 2.498 7.782 5.448 5.064 5.727 . 0 0 "[ . 1]" 1 1747 1 35 LEU HA 1 36 ASN H 3.366 2.233 4.499 3.509 3.500 3.525 . 0 0 "[ . 1]" 1 1748 2 35 LEU HA 2 36 ASN H 3.366 2.233 4.499 3.509 3.500 3.526 . 0 0 "[ . 1]" 1 1749 1 32 ALA HA 1 36 ASN H 3.794 2.354 5.234 4.217 4.070 4.290 . 0 0 "[ . 1]" 1 1750 2 32 ALA HA 2 36 ASN H 3.794 2.354 5.234 4.216 4.067 4.286 . 0 0 "[ . 1]" 1 1751 1 36 ASN H 1 36 ASN HA 2.702 . 3.432 2.802 2.794 2.815 . 0 0 "[ . 1]" 1 1752 2 36 ASN H 2 36 ASN HA 2.702 . 3.432 2.801 2.792 2.814 . 0 0 "[ . 1]" 1 1753 1 34 SER HA 1 36 ASN H 4.103 2.420 5.786 4.307 4.264 4.418 . 0 0 "[ . 1]" 1 1754 2 34 SER HA 2 36 ASN H 4.103 2.420 5.786 4.308 4.268 4.425 . 0 0 "[ . 1]" 1 1755 1 51 GLU HA 1 52 ALA H 3.412 2.248 4.576 3.353 3.280 3.431 . 0 0 "[ . 1]" 1 1756 2 51 GLU HA 2 52 ALA H 3.412 2.248 4.576 3.352 3.286 3.432 . 0 0 "[ . 1]" 1 1757 1 35 LEU HB3 1 36 ASN H 3.518 2.280 4.756 3.713 3.627 3.767 . 0 0 "[ . 1]" 1 1758 2 35 LEU HB3 2 36 ASN H 3.518 2.280 4.756 3.714 3.628 3.769 . 0 0 "[ . 1]" 1 1759 1 35 LEU H 1 35 LEU HB3 3.360 2.231 4.489 3.608 3.603 3.614 . 0 0 "[ . 1]" 1 1760 2 35 LEU H 2 35 LEU HB3 3.360 2.231 4.489 3.608 3.603 3.614 . 0 0 "[ . 1]" 1 1761 1 35 LEU H 1 35 LEU HG 2.339 . 2.886 2.426 2.389 2.470 . 0 0 "[ . 1]" 1 1762 2 35 LEU H 2 35 LEU HG 2.339 . 2.886 2.423 2.382 2.470 . 0 0 "[ . 1]" 1 1763 1 36 ASN H 1 39 MET ME 3.671 2.323 5.019 3.596 3.500 3.706 . 0 0 "[ . 1]" 1 1764 2 36 ASN H 2 39 MET ME 3.671 2.323 5.019 3.595 3.502 3.703 . 0 0 "[ . 1]" 1 1765 1 35 LEU H 1 39 MET ME 4.817 2.497 7.137 5.167 5.027 5.332 . 0 0 "[ . 1]" 1 1766 2 35 LEU H 2 39 MET ME 4.817 2.497 7.137 5.166 5.028 5.329 . 0 0 "[ . 1]" 1 1767 1 36 ASN H 1 36 ASN HB2 1.988 . 2.383 2.257 2.235 2.284 . 0 0 "[ . 1]" 1 1768 2 36 ASN H 2 36 ASN HB2 1.988 . 2.383 2.256 2.231 2.280 . 0 0 "[ . 1]" 1 1769 1 35 LEU H 1 36 ASN HB2 4.276 2.447 6.105 4.431 4.390 4.495 . 0 0 "[ . 1]" 1 1770 2 35 LEU H 2 36 ASN HB2 4.276 2.447 6.105 4.431 4.382 4.493 . 0 0 "[ . 1]" 1 1771 1 33 ASP QB 1 36 ASN H 5.374 2.486 8.262 4.800 4.669 4.897 . 0 0 "[ . 1]" 1 1772 2 33 ASP QB 2 36 ASN H 5.374 2.486 8.262 4.800 4.675 4.899 . 0 0 "[ . 1]" 1 1773 1 33 ASP QB 1 35 LEU H 5.859 2.427 9.291 4.663 4.574 4.752 . 0 0 "[ . 1]" 1 1774 2 33 ASP QB 2 35 LEU H 5.859 2.427 9.291 4.666 4.584 4.750 . 0 0 "[ . 1]" 1 1775 1 34 SER HA 1 35 LEU H 3.547 2.289 4.805 3.519 3.507 3.537 . 0 0 "[ . 1]" 1 1776 2 34 SER HA 2 35 LEU H 3.547 2.289 4.805 3.521 3.506 3.540 . 0 0 "[ . 1]" 1 1777 1 35 LEU H 1 35 LEU HA 2.761 . 3.524 2.859 2.845 2.871 . 0 0 "[ . 1]" 1 1778 2 35 LEU H 2 35 LEU HA 2.761 . 3.524 2.859 2.844 2.872 . 0 0 "[ . 1]" 1 1779 1 32 ALA HA 1 35 LEU H 2.998 2.099 3.897 3.339 3.269 3.449 . 0 0 "[ . 1]" 1 1780 2 32 ALA HA 2 35 LEU H 2.998 2.099 3.897 3.338 3.270 3.444 . 0 0 "[ . 1]" 1 1781 1 33 ASP HA 1 35 LEU H 4.216 2.439 5.993 4.174 4.114 4.278 . 0 0 "[ . 1]" 1 1782 2 33 ASP HA 2 35 LEU H 4.216 2.439 5.993 4.177 4.120 4.276 . 0 0 "[ . 1]" 1 1783 1 36 ASN H 1 36 ASN HD21 3.171 2.165 4.177 2.452 2.397 2.502 . 0 0 "[ . 1]" 1 1784 2 36 ASN H 2 36 ASN HD21 3.171 2.165 4.177 2.454 2.406 2.508 . 0 0 "[ . 1]" 1 1785 1 36 ASN H 1 36 ASN HD22 4.557 2.480 6.634 3.934 3.859 4.005 . 0 0 "[ . 1]" 1 1786 2 36 ASN H 2 36 ASN HD22 4.557 2.480 6.634 3.935 3.875 4.001 . 0 0 "[ . 1]" 1 1787 1 35 LEU MD2 1 36 ASN H 4.660 2.488 6.832 4.644 4.617 4.659 . 0 0 "[ . 1]" 1 1788 2 35 LEU MD2 2 36 ASN H 4.660 2.488 6.832 4.644 4.618 4.658 . 0 0 "[ . 1]" 1 1789 1 35 LEU H 1 35 LEU MD2 3.446 2.259 4.633 3.356 3.302 3.402 . 0 0 "[ . 1]" 1 1790 2 35 LEU H 2 35 LEU MD2 3.446 2.259 4.633 3.355 3.302 3.404 . 0 0 "[ . 1]" 1 1791 1 35 LEU MD1 1 36 ASN H 4.633 2.486 6.780 4.625 4.558 4.674 . 0 0 "[ . 1]" 1 1792 2 35 LEU MD1 2 36 ASN H 4.633 2.486 6.780 4.625 4.556 4.673 . 0 0 "[ . 1]" 1 1793 1 35 LEU H 1 35 LEU MD1 3.667 2.323 5.011 3.722 3.697 3.748 . 0 0 "[ . 1]" 1 1794 2 35 LEU H 2 35 LEU MD1 3.667 2.323 5.011 3.721 3.695 3.745 . 0 0 "[ . 1]" 1 1795 1 27 ILE MG 1 35 LEU H 4.558 2.480 6.636 4.761 4.572 4.962 . 0 0 "[ . 1]" 1 1796 2 27 ILE MG 2 35 LEU H 4.558 2.480 6.636 4.760 4.569 4.964 . 0 0 "[ . 1]" 1 1797 1 35 LEU HB2 1 36 ASN H 2.658 . 3.364 2.720 2.620 2.781 . 0 0 "[ . 1]" 1 1798 2 35 LEU HB2 2 36 ASN H 2.658 . 3.364 2.721 2.619 2.782 . 0 0 "[ . 1]" 1 1799 1 35 LEU H 1 35 LEU HB2 2.304 . 2.835 2.461 2.439 2.473 . 0 0 "[ . 1]" 1 1800 2 35 LEU H 2 35 LEU HB2 2.304 . 2.835 2.462 2.446 2.475 . 0 0 "[ . 1]" 1 1801 1 29 GLU H 1 29 GLU HA 2.520 . 3.155 2.772 2.738 2.820 . 0 0 "[ . 1]" 1 1802 2 29 GLU H 2 29 GLU HA 2.520 . 3.155 2.772 2.739 2.821 . 0 0 "[ . 1]" 1 1803 1 28 SER HA 1 29 GLU H 2.004 . 2.406 2.350 2.246 2.439 0.033 9 0 "[ . 1]" 1 1804 2 28 SER HA 2 29 GLU H 2.004 . 2.406 2.350 2.247 2.439 0.033 9 0 "[ . 1]" 1 1805 1 29 GLU H 1 29 GLU HB2 3.036 2.114 3.958 2.669 2.474 3.595 . 0 0 "[ . 1]" 1 1806 2 29 GLU H 2 29 GLU HB2 3.036 2.114 3.958 2.667 2.469 3.595 . 0 0 "[ . 1]" 1 1807 1 29 GLU H 1 29 GLU QG 2.132 . 2.586 2.055 1.880 2.203 . 0 0 "[ . 1]" 1 1808 2 29 GLU H 2 29 GLU QG 2.132 . 2.586 2.056 1.882 2.207 . 0 0 "[ . 1]" 1 1809 1 29 GLU H 1 30 ASP HB3 5.566 2.468 8.664 5.291 4.948 6.458 . 0 0 "[ . 1]" 1 1810 2 29 GLU H 2 30 ASP HB3 5.566 2.468 8.664 5.294 4.954 6.452 . 0 0 "[ . 1]" 1 1811 1 27 ILE MG 1 29 GLU H 4.732 2.492 6.972 5.160 4.891 5.302 . 0 0 "[ . 1]" 1 1812 2 27 ILE MG 2 29 GLU H 4.732 2.492 6.972 5.159 4.892 5.302 . 0 0 "[ . 1]" 1 1813 1 29 GLU H 1 30 ASP H 2.776 2.006 3.546 2.864 2.624 3.074 . 0 0 "[ . 1]" 1 1814 2 29 GLU H 2 30 ASP H 2.776 2.006 3.546 2.863 2.624 3.067 . 0 0 "[ . 1]" 1 1815 1 7 LYS H 1 7 LYS HA 2.902 2.060 3.744 2.803 2.741 2.859 . 0 0 "[ . 1]" 1 1816 2 7 LYS H 2 7 LYS HA 2.902 2.060 3.744 2.804 2.739 2.860 . 0 0 "[ . 1]" 1 1817 1 6 SER HB2 1 7 LYS H 2.842 2.034 3.650 3.671 2.578 4.040 0.390 6 0 "[ . 1]" 1 1818 2 6 SER HB2 2 7 LYS H 2.842 2.034 3.650 3.671 2.567 4.037 0.387 6 0 "[ . 1]" 1 1819 1 7 LYS H 1 7 LYS HE3 6.844 2.160 11.528 4.970 3.650 5.833 . 0 0 "[ . 1]" 1 1820 2 7 LYS H 2 7 LYS HE3 6.844 2.160 11.528 4.972 3.651 5.839 . 0 0 "[ . 1]" 1 1821 1 7 LYS H 1 7 LYS HB2 3.268 2.200 4.336 3.575 3.553 3.603 . 0 0 "[ . 1]" 1 1822 2 7 LYS H 2 7 LYS HB2 3.268 2.200 4.336 3.576 3.553 3.604 . 0 0 "[ . 1]" 1 1823 1 7 LYS H 1 7 LYS HB3 3.258 2.197 4.319 2.746 2.620 2.904 . 0 0 "[ . 1]" 1 1824 2 7 LYS H 2 7 LYS HB3 3.258 2.197 4.319 2.745 2.622 2.905 . 0 0 "[ . 1]" 1 1825 1 7 LYS H 1 7 LYS HG3 3.240 2.190 4.290 3.053 2.906 3.272 . 0 0 "[ . 1]" 1 1826 2 7 LYS H 2 7 LYS HG3 3.240 2.190 4.290 3.054 2.899 3.275 . 0 0 "[ . 1]" 1 1827 1 7 LYS H 1 7 LYS HG2 2.390 . 2.961 1.837 1.756 2.082 0.063 7 0 "[ . 1]" 1 1828 2 7 LYS H 2 7 LYS HG2 2.390 . 2.961 1.838 1.751 2.089 0.068 7 0 "[ . 1]" 1 1829 1 7 LYS H 1 8 GLU HB3 5.597 2.464 8.730 5.112 4.570 6.414 . 0 0 "[ . 1]" 1 1830 2 7 LYS H 2 8 GLU HB3 5.597 2.464 8.730 5.112 4.565 6.403 . 0 0 "[ . 1]" 1 1831 1 7 LYS H 2 21 ILE MD 5.842 2.429 9.255 4.511 3.714 5.135 . 0 0 "[ . 1]" 1 1832 1 21 ILE MD 2 7 LYS H 5.842 2.429 9.255 4.505 3.677 5.050 . 0 0 "[ . 1]" 1 1833 1 7 LYS H 1 9 GLU H 5.228 2.495 7.961 4.333 4.180 4.639 . 0 0 "[ . 1]" 1 1834 2 7 LYS H 2 9 GLU H 5.228 2.495 7.961 4.333 4.180 4.641 . 0 0 "[ . 1]" 1 1835 1 8 GLU H 1 8 GLU HG2 4.712 2.492 6.932 4.158 2.447 4.462 0.045 9 0 "[ . 1]" 1 1836 2 8 GLU H 2 8 GLU HG2 4.712 2.492 6.932 4.158 2.447 4.467 0.045 9 0 "[ . 1]" 1 1837 1 8 GLU H 1 8 GLU HB3 2.713 . 3.449 2.692 2.401 3.606 0.157 10 0 "[ . 1]" 1 1838 2 8 GLU H 2 8 GLU HB3 2.713 . 3.449 2.690 2.398 3.608 0.159 10 0 "[ . 1]" 1 1839 1 8 GLU H 1 8 GLU HB2 2.938 2.075 3.801 2.534 2.393 2.612 . 0 0 "[ . 1]" 1 1840 2 8 GLU H 2 8 GLU HB2 2.938 2.075 3.801 2.534 2.387 2.605 . 0 0 "[ . 1]" 1 1841 1 7 LYS HG3 1 8 GLU H 2.855 2.040 3.670 2.594 2.299 3.014 . 0 0 "[ . 1]" 1 1842 2 7 LYS HG3 2 8 GLU H 2.855 2.040 3.670 2.593 2.295 3.014 . 0 0 "[ . 1]" 1 1843 1 7 LYS HG2 1 8 GLU H 3.477 2.268 4.686 2.978 2.826 3.170 . 0 0 "[ . 1]" 1 1844 2 7 LYS HG2 2 8 GLU H 3.477 2.268 4.686 2.979 2.826 3.170 . 0 0 "[ . 1]" 1 1845 1 8 GLU H 1 11 ALA MB 4.693 2.491 6.895 4.617 4.507 4.689 . 0 0 "[ . 1]" 1 1846 2 8 GLU H 2 11 ALA MB 4.693 2.491 6.895 4.617 4.506 4.692 . 0 0 "[ . 1]" 1 1847 1 6 SER HA 1 8 GLU H 4.629 2.487 6.771 4.070 3.762 4.343 . 0 0 "[ . 1]" 1 1848 2 6 SER HA 2 8 GLU H 4.629 2.487 6.771 4.071 3.758 4.349 . 0 0 "[ . 1]" 1 1849 1 6 SER HB2 1 8 GLU H 3.146 2.156 4.136 3.613 2.857 4.173 0.037 7 0 "[ . 1]" 1 1850 2 6 SER HB2 2 8 GLU H 3.146 2.156 4.136 3.614 2.842 4.168 0.032 4 0 "[ . 1]" 1 1851 1 42 ILE H 1 43 SER H 2.677 . 3.394 2.635 2.543 2.681 . 0 0 "[ . 1]" 1 1852 2 42 ILE H 2 43 SER H 2.677 . 3.394 2.636 2.553 2.682 . 0 0 "[ . 1]" 1 1853 1 42 ILE H 1 44 GLU H 4.080 2.415 5.745 4.053 3.861 4.243 . 0 0 "[ . 1]" 1 1854 2 42 ILE H 2 44 GLU H 4.080 2.415 5.745 4.055 3.865 4.246 . 0 0 "[ . 1]" 1 1855 1 41 CYS HA 1 42 ILE H 3.587 2.300 4.874 3.526 3.507 3.538 . 0 0 "[ . 1]" 1 1856 2 41 CYS HA 2 42 ILE H 3.587 2.300 4.874 3.526 3.508 3.538 . 0 0 "[ . 1]" 1 1857 1 39 MET HA 1 42 ILE H 3.218 2.182 4.254 3.344 3.277 3.457 . 0 0 "[ . 1]" 1 1858 2 39 MET HA 2 42 ILE H 3.218 2.182 4.254 3.344 3.279 3.460 . 0 0 "[ . 1]" 1 1859 1 40 ASP HA 1 42 ILE H 4.612 2.485 6.739 4.367 4.195 4.471 . 0 0 "[ . 1]" 1 1860 2 40 ASP HA 2 42 ILE H 4.612 2.485 6.739 4.369 4.200 4.480 . 0 0 "[ . 1]" 1 1861 1 39 MET HB2 1 42 ILE H 4.677 2.489 6.865 5.479 5.408 5.540 . 0 0 "[ . 1]" 1 1862 2 39 MET HB2 2 42 ILE H 4.677 2.489 6.865 5.480 5.407 5.543 . 0 0 "[ . 1]" 1 1863 1 42 ILE H 1 42 ILE HA 2.866 2.045 3.687 2.832 2.823 2.847 . 0 0 "[ . 1]" 1 1864 2 42 ILE H 2 42 ILE HA 2.866 2.045 3.687 2.832 2.822 2.848 . 0 0 "[ . 1]" 1 1865 1 41 CYS HB3 1 42 ILE H 3.765 2.347 5.183 3.759 3.662 3.843 . 0 0 "[ . 1]" 1 1866 2 41 CYS HB3 2 42 ILE H 3.765 2.347 5.183 3.758 3.662 3.835 . 0 0 "[ . 1]" 1 1867 1 41 CYS HB2 1 42 ILE H 2.822 2.026 3.618 2.703 2.597 2.770 . 0 0 "[ . 1]" 1 1868 2 41 CYS HB2 2 42 ILE H 2.822 2.026 3.618 2.703 2.600 2.762 . 0 0 "[ . 1]" 1 1869 1 42 ILE H 1 42 ILE HB 2.373 . 2.936 2.524 2.501 2.545 . 0 0 "[ . 1]" 1 1870 2 42 ILE H 2 42 ILE HB 2.373 . 2.936 2.524 2.503 2.548 . 0 0 "[ . 1]" 1 1871 1 42 ILE H 1 42 ILE HG13 2.126 . 2.578 2.121 2.067 2.176 . 0 0 "[ . 1]" 1 1872 2 42 ILE H 2 42 ILE HG13 2.126 . 2.578 2.120 2.067 2.178 . 0 0 "[ . 1]" 1 1873 1 42 ILE H 2 38 ALA MB 3.110 2.143 4.077 3.249 3.080 3.385 . 0 0 "[ . 1]" 1 1874 1 38 ALA MB 2 42 ILE H 3.110 2.143 4.077 3.246 3.074 3.388 . 0 0 "[ . 1]" 1 1875 1 15 VAL QG 1 42 ILE H 4.129 2.424 5.834 4.184 4.000 4.294 . 0 0 "[ . 1]" 1 1876 2 15 VAL QG 2 42 ILE H 4.129 2.424 5.834 4.184 3.998 4.291 . 0 0 "[ . 1]" 1 1877 1 42 ILE H 1 42 ILE HG12 3.754 2.345 5.163 3.445 3.380 3.486 . 0 0 "[ . 1]" 1 1878 2 42 ILE H 2 42 ILE HG12 3.754 2.345 5.163 3.445 3.376 3.486 . 0 0 "[ . 1]" 1 1879 1 5 ALA H 1 6 SER H 5.188 2.497 7.879 4.444 3.963 4.640 . 0 0 "[ . 1]" 1 1880 2 5 ALA H 2 6 SER H 5.188 2.497 7.879 4.442 3.960 4.633 . 0 0 "[ . 1]" 1 1881 1 6 SER H 1 10 ILE H 4.941 2.500 7.382 4.455 4.018 5.020 . 0 0 "[ . 1]" 1 1882 2 6 SER H 2 10 ILE H 4.941 2.500 7.382 4.453 4.013 5.022 . 0 0 "[ . 1]" 1 1883 1 6 SER H 1 9 GLU H 4.771 2.494 7.048 4.094 3.675 4.891 . 0 0 "[ . 1]" 1 1884 2 6 SER H 2 9 GLU H 4.771 2.494 7.048 4.094 3.677 4.896 . 0 0 "[ . 1]" 1 1885 1 6 SER H 1 9 GLU HA 6.260 2.341 10.179 5.751 5.191 6.480 . 0 0 "[ . 1]" 1 1886 2 6 SER H 2 9 GLU HA 6.260 2.341 10.179 5.751 5.188 6.479 . 0 0 "[ . 1]" 1 1887 1 6 SER H 1 9 GLU HB2 3.256 2.196 4.316 3.000 2.399 3.539 . 0 0 "[ . 1]" 1 1888 2 6 SER H 2 9 GLU HB2 3.256 2.196 4.316 2.999 2.396 3.539 . 0 0 "[ . 1]" 1 1889 1 6 SER H 1 9 GLU HG2 5.402 2.484 8.320 4.752 4.082 6.183 . 0 0 "[ . 1]" 1 1890 2 6 SER H 2 9 GLU HG2 5.402 2.484 8.320 4.754 4.082 6.185 . 0 0 "[ . 1]" 1 1891 1 6 SER H 1 9 GLU HG3 4.418 2.467 6.369 3.644 3.198 4.851 . 0 0 "[ . 1]" 1 1892 2 6 SER H 2 9 GLU HG3 4.418 2.467 6.369 3.647 3.202 4.854 . 0 0 "[ . 1]" 1 1893 1 6 SER H 1 9 GLU HB3 4.379 2.462 6.296 4.400 3.713 5.038 . 0 0 "[ . 1]" 1 1894 2 6 SER H 2 9 GLU HB3 4.379 2.462 6.296 4.400 3.710 5.037 . 0 0 "[ . 1]" 1 1895 1 5 ALA MB 1 6 SER H 2.868 2.045 3.691 2.366 1.950 3.037 0.095 2 0 "[ . 1]" 1 1896 2 5 ALA MB 2 6 SER H 2.868 2.045 3.691 2.363 1.952 3.038 0.093 2 0 "[ . 1]" 1 1897 1 15 VAL QG 1 16 ASN H . 2.228 2.936 2.143 2.047 2.230 0.181 7 0 "[ . 1]" 1 1898 2 15 VAL QG 2 16 ASN H . 2.228 2.936 2.142 2.047 2.230 0.181 7 0 "[ . 1]" 1 1899 1 16 ASN H 1 53 VAL MG2 3.455 2.261 4.649 4.339 4.070 4.494 . 0 0 "[ . 1]" 1 1900 2 16 ASN H 2 53 VAL MG2 3.455 2.261 4.649 4.341 4.073 4.496 . 0 0 "[ . 1]" 1 1901 1 16 ASN H 1 16 ASN HB2 2.245 . 2.749 2.468 2.362 2.572 . 0 0 "[ . 1]" 1 1902 2 16 ASN H 2 16 ASN HB2 2.245 . 2.749 2.469 2.361 2.571 . 0 0 "[ . 1]" 1 1903 1 15 VAL HB 1 16 ASN H 2.665 . 6.000 3.777 3.700 3.867 . 0 0 "[ . 1]" 1 1904 2 15 VAL HB 2 16 ASN H 2.665 . 6.000 3.776 3.699 3.868 . 0 0 "[ . 1]" 1 1905 1 16 ASN H 1 17 TYR HB3 5.012 2.500 7.524 4.985 4.606 5.148 . 0 0 "[ . 1]" 1 1906 2 16 ASN H 2 17 TYR HB3 5.012 2.500 7.524 4.984 4.608 5.151 . 0 0 "[ . 1]" 1 1907 1 14 ILE HA 1 16 ASN H 4.160 2.429 5.891 4.560 4.449 4.678 . 0 0 "[ . 1]" 1 1908 2 14 ILE HA 2 16 ASN H 4.160 2.429 5.891 4.559 4.449 4.678 . 0 0 "[ . 1]" 1 1909 1 16 ASN H 1 17 TYR HB2 5.116 2.498 7.734 5.068 5.002 5.141 . 0 0 "[ . 1]" 1 1910 2 16 ASN H 2 17 TYR HB2 5.116 2.498 7.734 5.068 4.999 5.141 . 0 0 "[ . 1]" 1 1911 1 13 LEU HA 1 16 ASN H 3.229 2.187 4.271 3.799 3.686 3.921 . 0 0 "[ . 1]" 1 1912 2 13 LEU HA 2 16 ASN H 3.229 2.187 4.271 3.799 3.686 3.921 . 0 0 "[ . 1]" 1 1913 1 15 VAL HA 1 16 ASN H 3.315 2.216 4.414 3.516 3.495 3.532 . 0 0 "[ . 1]" 1 1914 2 15 VAL HA 2 16 ASN H 3.315 2.216 4.414 3.515 3.495 3.531 . 0 0 "[ . 1]" 1 1915 1 16 ASN H 1 17 TYR HA 5.372 2.486 8.258 5.286 5.234 5.321 . 0 0 "[ . 1]" 1 1916 2 16 ASN H 2 17 TYR HA 5.372 2.486 8.258 5.286 5.237 5.324 . 0 0 "[ . 1]" 1 1917 1 16 ASN H 1 19 SER HB2 5.228 2.495 7.961 5.060 4.961 5.185 . 0 0 "[ . 1]" 1 1918 2 16 ASN H 2 19 SER HB2 5.228 2.495 7.961 5.060 4.960 5.181 . 0 0 "[ . 1]" 1 1919 1 16 ASN H 1 50 ARG HA 4.946 2.500 7.392 5.557 5.283 5.765 . 0 0 "[ . 1]" 1 1920 2 16 ASN H 2 50 ARG HA 4.946 2.500 7.392 5.557 5.280 5.765 . 0 0 "[ . 1]" 1 1921 1 16 ASN H 1 16 ASN HA 2.871 2.047 3.695 2.804 2.792 2.821 . 0 0 "[ . 1]" 1 1922 2 16 ASN H 2 16 ASN HA 2.871 2.047 3.695 2.804 2.793 2.822 . 0 0 "[ . 1]" 1 1923 1 16 ASN H 1 17 TYR H 2.861 2.043 3.679 2.678 2.602 2.737 . 0 0 "[ . 1]" 1 1924 2 16 ASN H 2 17 TYR H 2.861 2.043 3.679 2.678 2.604 2.739 . 0 0 "[ . 1]" 1 1925 1 16 ASN H 1 16 ASN HD22 5.994 2.401 9.587 5.850 5.813 5.888 . 0 0 "[ . 1]" 1 1926 2 16 ASN H 2 16 ASN HD22 5.994 2.401 9.587 5.851 5.817 5.888 . 0 0 "[ . 1]" 1 1927 1 16 ASN H 1 16 ASN HD21 5.893 2.420 9.366 4.763 4.686 4.851 . 0 0 "[ . 1]" 1 1928 2 16 ASN H 2 16 ASN HD21 5.893 2.420 9.366 4.764 4.683 4.851 . 0 0 "[ . 1]" 1 1929 1 41 CYS H 1 41 CYS HA 2.910 2.063 3.757 2.829 2.805 2.852 . 0 0 "[ . 1]" 1 1930 2 41 CYS H 2 41 CYS HA 2.910 2.063 3.757 2.829 2.806 2.853 . 0 0 "[ . 1]" 1 1931 1 18 PHE H 1 18 PHE HB3 4.003 2.400 5.606 3.616 3.608 3.624 . 0 0 "[ . 1]" 1 1932 2 18 PHE H 2 18 PHE HB3 4.003 2.400 5.606 3.617 3.608 3.624 . 0 0 "[ . 1]" 1 1933 1 40 ASP HA 1 41 CYS H 3.713 2.334 5.092 3.535 3.494 3.556 . 0 0 "[ . 1]" 1 1934 2 40 ASP HA 2 41 CYS H 3.713 2.334 5.092 3.536 3.491 3.555 . 0 0 "[ . 1]" 1 1935 1 18 PHE H 1 18 PHE HA 3.359 2.231 4.487 2.824 2.816 2.831 . 0 0 "[ . 1]" 1 1936 2 18 PHE H 2 18 PHE HA 3.359 2.231 4.487 2.824 2.815 2.831 . 0 0 "[ . 1]" 1 1937 1 18 PHE H 1 18 PHE QD 4.273 2.447 6.099 3.247 3.184 3.297 . 0 0 "[ . 1]" 1 1938 2 18 PHE H 2 18 PHE QD 4.273 2.447 6.099 3.248 3.185 3.298 . 0 0 "[ . 1]" 1 1939 1 17 TYR QD 1 18 PHE H 4.859 2.498 7.220 3.519 2.949 3.835 . 0 0 "[ . 1]" 1 1940 2 17 TYR QD 2 18 PHE H 4.859 2.498 7.220 3.518 2.944 3.836 . 0 0 "[ . 1]" 1 1941 1 48 PHE QD 1 49 GLU H 4.377 2.461 6.293 3.165 3.018 3.351 . 0 0 "[ . 1]" 1 1942 2 48 PHE QD 2 49 GLU H 4.377 2.461 6.293 3.167 3.015 3.354 . 0 0 "[ . 1]" 1 1943 1 41 CYS H 1 43 SER H 4.788 2.496 7.080 4.177 3.854 4.330 . 0 0 "[ . 1]" 1 1944 2 41 CYS H 2 43 SER H 4.788 2.496 7.080 4.175 3.849 4.321 . 0 0 "[ . 1]" 1 1945 1 41 CYS H 1 42 ILE H 2.665 . 3.375 2.609 2.537 2.685 . 0 0 "[ . 1]" 1 1946 2 41 CYS H 2 42 ILE H 2.665 . 3.375 2.609 2.535 2.681 . 0 0 "[ . 1]" 1 1947 1 40 ASP HB3 1 41 CYS H 3.199 2.176 4.222 2.709 2.392 3.482 . 0 0 "[ . 1]" 1 1948 2 40 ASP HB3 2 41 CYS H 3.199 2.176 4.222 2.711 2.399 3.481 . 0 0 "[ . 1]" 1 1949 1 39 MET HB2 1 41 CYS H 3.808 2.358 5.258 5.137 4.940 5.264 0.006 9 0 "[ . 1]" 1 1950 2 39 MET HB2 2 41 CYS H 3.808 2.358 5.258 5.135 4.940 5.256 . 0 0 "[ . 1]" 1 1951 1 17 TYR HB3 1 18 PHE H 2.471 . 3.081 2.455 2.317 2.564 . 0 0 "[ . 1]" 1 1952 2 17 TYR HB3 2 18 PHE H 2.471 . 3.081 2.454 2.316 2.559 . 0 0 "[ . 1]" 1 1953 1 41 CYS H 1 42 ILE HG12 6.501 2.275 10.727 5.792 5.713 5.858 . 0 0 "[ . 1]" 1 1954 2 41 CYS H 2 42 ILE HG12 6.501 2.275 10.727 5.791 5.712 5.855 . 0 0 "[ . 1]" 1 1955 1 41 CYS H 1 42 ILE HG13 4.444 2.469 6.419 4.193 4.117 4.281 . 0 0 "[ . 1]" 1 1956 2 41 CYS H 2 42 ILE HG13 4.444 2.469 6.419 4.192 4.120 4.276 . 0 0 "[ . 1]" 1 1957 1 41 CYS H 1 42 ILE HB 4.738 2.493 6.983 4.833 4.702 4.926 . 0 0 "[ . 1]" 1 1958 2 41 CYS H 2 42 ILE HB 4.738 2.493 6.983 4.831 4.696 4.919 . 0 0 "[ . 1]" 1 1959 1 37 VAL H 1 38 ALA H 2.463 . 3.070 2.541 2.482 2.612 . 0 0 "[ . 1]" 1 1960 2 37 VAL H 2 38 ALA H 2.463 . 3.070 2.543 2.480 2.617 . 0 0 "[ . 1]" 1 1961 1 38 ALA H 1 39 MET H 2.761 . 3.523 2.774 2.734 2.848 . 0 0 "[ . 1]" 1 1962 2 38 ALA H 2 39 MET H 2.761 . 3.523 2.772 2.732 2.849 . 0 0 "[ . 1]" 1 1963 1 35 LEU MD1 1 38 ALA H 4.865 2.499 7.231 6.403 6.333 6.448 . 0 0 "[ . 1]" 1 1964 2 35 LEU MD1 2 38 ALA H 4.865 2.499 7.231 6.403 6.331 6.449 . 0 0 "[ . 1]" 1 1965 1 35 LEU MD2 1 38 ALA H 4.165 2.430 5.900 4.764 4.675 4.837 . 0 0 "[ . 1]" 1 1966 2 35 LEU MD2 2 38 ALA H 4.165 2.430 5.900 4.764 4.676 4.836 . 0 0 "[ . 1]" 1 1967 1 36 ASN HA 1 38 ALA H 4.235 2.442 6.028 4.308 4.245 4.416 . 0 0 "[ . 1]" 1 1968 2 36 ASN HA 2 38 ALA H 4.235 2.442 6.028 4.307 4.242 4.414 . 0 0 "[ . 1]" 1 1969 1 34 SER HA 1 38 ALA H 3.851 2.368 5.334 4.133 4.031 4.196 . 0 0 "[ . 1]" 1 1970 2 34 SER HA 2 38 ALA H 3.851 2.368 5.334 4.136 4.029 4.197 . 0 0 "[ . 1]" 1 1971 1 38 ALA H 1 39 MET HB2 4.713 2.492 6.934 4.744 4.676 4.804 . 0 0 "[ . 1]" 1 1972 2 38 ALA H 2 39 MET HB2 4.713 2.492 6.934 4.743 4.675 4.804 . 0 0 "[ . 1]" 1 1973 1 37 VAL HB 1 38 ALA H 2.727 . 6.000 3.935 3.893 3.988 . 0 0 "[ . 1]" 1 1974 2 37 VAL HB 2 38 ALA H 2.727 . 6.000 3.935 3.893 3.990 . 0 0 "[ . 1]" 1 1975 1 38 ALA H 1 38 ALA MB 2.075 . 2.506 2.245 2.240 2.249 . 0 0 "[ . 1]" 1 1976 2 38 ALA H 2 38 ALA MB 2.075 . 2.506 2.245 2.240 2.250 . 0 0 "[ . 1]" 1 1977 1 37 VAL MG1 1 38 ALA H 3.163 2.163 4.163 3.937 3.915 3.957 . 0 0 "[ . 1]" 1 1978 2 37 VAL MG1 2 38 ALA H 3.163 2.163 4.163 3.937 3.917 3.960 . 0 0 "[ . 1]" 1 1979 1 37 VAL MG2 1 38 ALA H 2.404 . 2.982 2.304 2.260 2.348 . 0 0 "[ . 1]" 1 1980 2 37 VAL MG2 2 38 ALA H 2.404 . 2.982 2.305 2.262 2.354 . 0 0 "[ . 1]" 1 1981 1 66 HIS H 1 70 ILE HG13 6.105 2.378 9.832 5.052 2.794 7.848 . 0 0 "[ . 1]" 1 1982 2 66 HIS H 2 70 ILE HG13 6.105 2.378 9.832 5.051 2.793 7.850 . 0 0 "[ . 1]" 1 1983 1 65 GLN QB 1 66 HIS H 2.554 . 3.206 2.406 1.587 3.200 0.315 1 0 "[ . 1]" 1 1984 2 65 GLN QB 2 66 HIS H 2.554 . 3.206 2.408 1.587 3.200 0.315 1 0 "[ . 1]" 1 1985 1 66 HIS H 1 66 HIS HB2 3.140 2.154 4.126 3.153 2.389 3.639 . 0 0 "[ . 1]" 1 1986 2 66 HIS H 2 66 HIS HB2 3.140 2.154 4.126 3.152 2.391 3.638 . 0 0 "[ . 1]" 1 1987 1 66 HIS H 1 66 HIS HB3 3.534 2.285 4.783 3.358 2.232 4.188 0.053 9 0 "[ . 1]" 1 1988 2 66 HIS H 2 66 HIS HB3 3.534 2.285 4.783 3.358 2.237 4.185 0.048 9 0 "[ . 1]" 1 1989 1 65 GLN HA 1 66 HIS H 2.584 . 3.251 2.557 2.104 3.425 0.174 1 0 "[ . 1]" 1 1990 2 65 GLN HA 2 66 HIS H 2.584 . 3.251 2.555 2.101 3.421 0.170 1 0 "[ . 1]" 1 1991 1 66 HIS H 1 66 HIS HA 2.980 2.092 3.868 2.682 2.264 2.935 . 0 0 "[ . 1]" 1 1992 2 66 HIS H 2 66 HIS HA 2.980 2.092 3.868 2.682 2.262 2.936 . 0 0 "[ . 1]" 1 1993 1 64 GLY HA3 1 66 HIS H 5.874 2.424 9.324 6.259 5.705 6.923 . 0 0 "[ . 1]" 1 1994 2 64 GLY HA3 2 66 HIS H 5.874 2.424 9.324 6.261 5.707 6.920 . 0 0 "[ . 1]" 1 1995 1 66 HIS H 1 66 HIS HD2 4.075 2.414 5.736 4.653 3.613 5.481 . 0 0 "[ . 1]" 1 1996 2 66 HIS H 2 66 HIS HD2 4.075 2.414 5.736 4.653 3.608 5.487 . 0 0 "[ . 1]" 1 1997 1 66 HIS H 1 70 ILE H 8.139 . 14.763 6.688 4.182 10.086 . 0 0 "[ . 1]" 1 1998 2 66 HIS H 2 70 ILE H 8.139 . 14.763 6.685 4.182 10.086 . 0 0 "[ . 1]" 1 1999 1 48 PHE HA 1 49 GLU H 2.507 . 3.135 2.448 2.404 2.509 . 0 0 "[ . 1]" 1 2000 2 48 PHE HA 2 49 GLU H 2.507 . 3.135 2.447 2.401 2.510 . 0 0 "[ . 1]" 1 2001 1 48 PHE HB3 1 49 GLU H 3.991 2.398 5.584 3.807 3.733 3.927 . 0 0 "[ . 1]" 1 2002 2 48 PHE HB3 2 49 GLU H 3.991 2.398 5.584 3.808 3.730 3.924 . 0 0 "[ . 1]" 1 2003 1 48 PHE HB2 1 49 GLU H 2.665 . 3.375 2.397 2.287 2.567 . 0 0 "[ . 1]" 1 2004 2 48 PHE HB2 2 49 GLU H 2.665 . 3.375 2.399 2.286 2.565 . 0 0 "[ . 1]" 1 2005 1 49 GLU H 1 49 GLU HB3 3.474 2.267 4.681 3.643 3.610 3.663 . 0 0 "[ . 1]" 1 2006 2 49 GLU H 2 49 GLU HB3 3.474 2.267 4.681 3.641 3.606 3.665 . 0 0 "[ . 1]" 1 2007 1 49 GLU H 1 52 ALA H 4.603 2.484 6.722 4.226 3.979 4.447 . 0 0 "[ . 1]" 1 2008 2 49 GLU H 2 52 ALA H 4.603 2.484 6.722 4.228 3.979 4.445 . 0 0 "[ . 1]" 1 2009 1 49 GLU H 1 50 ARG H 5.017 2.499 7.535 4.566 4.551 4.589 . 0 0 "[ . 1]" 1 2010 2 49 GLU H 2 50 ARG H 5.017 2.499 7.535 4.564 4.546 4.591 . 0 0 "[ . 1]" 1 2011 1 49 GLU H 1 51 GLU H 5.508 2.475 8.541 5.082 4.845 5.307 . 0 0 "[ . 1]" 1 2012 2 49 GLU H 2 51 GLU H 5.508 2.475 8.541 5.083 4.844 5.306 . 0 0 "[ . 1]" 1 2013 1 14 ILE MG 1 18 PHE H 4.229 2.440 6.018 4.239 4.093 4.321 . 0 0 "[ . 1]" 1 2014 2 14 ILE MG 2 18 PHE H 4.229 2.440 6.018 4.239 4.089 4.322 . 0 0 "[ . 1]" 1 2015 1 27 ILE MD 1 28 SER H 4.012 2.402 5.622 3.906 3.783 3.983 . 0 0 "[ . 1]" 1 2016 2 27 ILE MD 2 28 SER H 4.012 2.402 5.622 3.906 3.783 3.983 . 0 0 "[ . 1]" 1 2017 1 10 ILE H 1 10 ILE MG 3.646 2.317 4.975 3.774 3.769 3.778 . 0 0 "[ . 1]" 1 2018 2 10 ILE H 2 10 ILE MG 3.646 2.317 4.975 3.773 3.771 3.778 . 0 0 "[ . 1]" 1 2019 1 10 ILE H 1 10 ILE QG 2.075 . 2.505 2.115 1.937 2.422 . 0 0 "[ . 1]" 1 2020 2 10 ILE H 2 10 ILE QG 2.075 . 2.505 2.114 1.937 2.420 . 0 0 "[ . 1]" 1 2021 1 5 ALA MB 1 10 ILE H 3.750 2.344 5.156 4.433 3.888 5.008 . 0 0 "[ . 1]" 1 2022 2 5 ALA MB 2 10 ILE H 3.750 2.344 5.156 4.430 3.886 5.010 . 0 0 "[ . 1]" 1 2023 1 10 ILE H 1 11 ALA MB 4.108 2.420 5.796 4.314 4.265 4.374 . 0 0 "[ . 1]" 1 2024 2 10 ILE H 2 11 ALA MB 4.108 2.420 5.796 4.314 4.263 4.377 . 0 0 "[ . 1]" 1 2025 1 10 ILE H 1 10 ILE HB 2.347 . 2.898 2.555 2.449 2.680 . 0 0 "[ . 1]" 1 2026 2 10 ILE H 2 10 ILE HB 2.347 . 2.898 2.556 2.450 2.678 . 0 0 "[ . 1]" 1 2027 1 9 GLU HB2 1 10 ILE H 2.742 . 3.494 2.505 2.307 2.780 . 0 0 "[ . 1]" 1 2028 2 9 GLU HB2 2 10 ILE H 2.742 . 3.494 2.506 2.311 2.781 . 0 0 "[ . 1]" 1 2029 1 9 GLU HG3 1 10 ILE H 4.346 2.457 6.235 4.149 3.884 4.320 . 0 0 "[ . 1]" 1 2030 2 9 GLU HG3 2 10 ILE H 4.346 2.457 6.235 4.150 3.888 4.314 . 0 0 "[ . 1]" 1 2031 1 10 ILE H 1 10 ILE HA 2.835 2.031 3.639 2.828 2.815 2.840 . 0 0 "[ . 1]" 1 2032 2 10 ILE H 2 10 ILE HA 2.835 2.031 3.639 2.828 2.815 2.841 . 0 0 "[ . 1]" 1 2033 1 8 GLU HA 1 10 ILE H 4.140 2.426 5.854 4.545 4.454 4.662 . 0 0 "[ . 1]" 1 2034 2 8 GLU HA 2 10 ILE H 4.140 2.426 5.854 4.546 4.456 4.666 . 0 0 "[ . 1]" 1 2035 1 7 LYS HA 1 10 ILE H 3.589 2.301 4.877 3.366 3.102 3.678 . 0 0 "[ . 1]" 1 2036 2 7 LYS HA 2 10 ILE H 3.589 2.301 4.877 3.367 3.101 3.678 . 0 0 "[ . 1]" 1 2037 1 6 SER HB2 1 10 ILE H 5.258 2.493 8.023 4.976 3.808 6.245 . 0 0 "[ . 1]" 1 2038 2 6 SER HB2 2 10 ILE H 5.258 2.493 8.023 4.977 3.805 6.242 . 0 0 "[ . 1]" 1 2039 1 6 SER HA 1 10 ILE H 5.427 2.482 8.372 5.359 5.124 5.800 . 0 0 "[ . 1]" 1 2040 2 6 SER HA 2 10 ILE H 5.427 2.482 8.372 5.359 5.121 5.802 . 0 0 "[ . 1]" 1 2041 1 10 ILE H 1 62 PHE QE 5.389 2.485 8.293 4.322 3.060 5.038 . 0 0 "[ . 1]" 1 2042 2 10 ILE H 2 62 PHE QE 5.389 2.485 8.293 4.322 3.060 5.034 . 0 0 "[ . 1]" 1 2043 1 8 GLU H 1 10 ILE H 3.898 2.379 5.417 4.161 4.030 4.279 . 0 0 "[ . 1]" 1 2044 2 8 GLU H 2 10 ILE H 3.898 2.379 5.417 4.161 4.031 4.281 . 0 0 "[ . 1]" 1 2045 1 28 SER H 1 29 GLU H 4.612 2.485 6.739 4.634 4.619 4.661 . 0 0 "[ . 1]" 1 2046 2 28 SER H 2 29 GLU H 4.612 2.485 6.739 4.634 4.617 4.661 . 0 0 "[ . 1]" 1 2047 1 28 SER H 1 32 ALA H 4.767 2.495 7.039 4.686 4.543 4.919 . 0 0 "[ . 1]" 1 2048 2 28 SER H 2 32 ALA H 4.767 2.495 7.039 4.687 4.538 4.917 . 0 0 "[ . 1]" 1 2049 1 27 ILE H 1 28 SER H 4.135 2.425 5.845 4.392 4.356 4.427 . 0 0 "[ . 1]" 1 2050 2 27 ILE H 2 28 SER H 4.135 2.425 5.845 4.392 4.351 4.429 . 0 0 "[ . 1]" 1 2051 1 28 SER H 1 31 GLY HA2 6.400 2.304 10.496 6.058 5.861 6.399 . 0 0 "[ . 1]" 1 2052 2 28 SER H 2 31 GLY HA2 6.400 2.304 10.496 6.060 5.856 6.403 . 0 0 "[ . 1]" 1 2053 1 28 SER H 1 31 GLY HA3 4.518 2.477 6.559 4.339 4.122 4.694 . 0 0 "[ . 1]" 1 2054 2 28 SER H 2 31 GLY HA3 4.518 2.477 6.559 4.340 4.118 4.697 . 0 0 "[ . 1]" 1 2055 1 28 SER H 1 28 SER HB2 2.517 . 3.150 2.718 2.388 3.567 0.417 1 0 "[ . 1]" 1 2056 2 28 SER H 2 28 SER HB2 2.517 . 3.150 2.716 2.395 3.565 0.415 1 0 "[ . 1]" 1 2057 1 28 SER H 1 28 SER HA 2.560 . 3.215 2.780 2.758 2.798 . 0 0 "[ . 1]" 1 2058 2 28 SER H 2 28 SER HA 2.560 . 3.215 2.780 2.756 2.798 . 0 0 "[ . 1]" 1 2059 1 27 ILE HA 1 28 SER H 2.117 . 2.565 2.266 2.230 2.324 . 0 0 "[ . 1]" 1 2060 2 27 ILE HA 2 28 SER H 2.117 . 2.565 2.265 2.227 2.323 . 0 0 "[ . 1]" 1 2061 1 27 ILE MG 1 28 SER H 3.282 2.205 4.359 3.614 3.516 3.698 . 0 0 "[ . 1]" 1 2062 2 27 ILE MG 2 28 SER H 3.282 2.205 4.359 3.613 3.514 3.697 . 0 0 "[ . 1]" 1 2063 1 27 ILE HG13 1 28 SER H 2.481 . 3.097 2.619 2.561 2.697 . 0 0 "[ . 1]" 1 2064 2 27 ILE HG13 2 28 SER H 2.481 . 3.097 2.616 2.555 2.698 . 0 0 "[ . 1]" 1 2065 1 27 ILE HB 1 28 SER H 3.395 2.243 4.547 4.046 3.988 4.099 . 0 0 "[ . 1]" 1 2066 2 27 ILE HB 2 28 SER H 3.395 2.243 4.547 4.045 3.985 4.099 . 0 0 "[ . 1]" 1 2067 1 27 ILE HG12 1 28 SER H 2.233 . 2.732 2.402 2.207 2.512 . 0 0 "[ . 1]" 1 2068 2 27 ILE HG12 2 28 SER H 2.233 . 2.732 2.402 2.207 2.506 . 0 0 "[ . 1]" 1 2069 1 20 SER H 1 21 ILE HG12 4.187 2.434 5.940 4.222 4.086 4.339 . 0 0 "[ . 1]" 1 2070 2 20 SER H 2 21 ILE HG12 4.187 2.434 5.940 4.219 4.083 4.324 . 0 0 "[ . 1]" 1 2071 1 20 SER H 1 22 VAL MG2 4.346 2.458 6.234 4.247 4.123 4.492 . 0 0 "[ . 1]" 1 2072 2 20 SER H 2 22 VAL MG2 4.346 2.458 6.234 4.245 4.121 4.488 . 0 0 "[ . 1]" 1 2073 1 18 PHE HB2 1 20 SER H 5.489 2.476 8.502 5.108 5.004 5.389 . 0 0 "[ . 1]" 1 2074 2 18 PHE HB2 2 20 SER H 5.489 2.476 8.502 5.106 5.001 5.380 . 0 0 "[ . 1]" 1 2075 1 20 SER H 1 21 ILE HA 5.010 2.500 7.520 5.194 5.102 5.315 . 0 0 "[ . 1]" 1 2076 2 20 SER H 2 21 ILE HA 5.010 2.500 7.520 5.192 5.097 5.308 . 0 0 "[ . 1]" 1 2077 1 18 PHE HB3 1 20 SER H 5.314 2.490 8.138 5.512 5.360 5.788 . 0 0 "[ . 1]" 1 2078 2 18 PHE HB3 2 20 SER H 5.314 2.490 8.138 5.509 5.355 5.778 . 0 0 "[ . 1]" 1 2079 1 20 SER H 1 20 SER HA 2.612 . 3.294 2.836 2.777 2.863 . 0 0 "[ . 1]" 1 2080 2 20 SER H 2 20 SER HA 2.612 . 3.294 2.837 2.779 2.864 . 0 0 "[ . 1]" 1 2081 1 19 SER HB2 1 20 SER H 2.666 . 3.377 2.903 2.396 3.916 0.539 10 1 "[ . +]" 1 2082 2 19 SER HB2 2 20 SER H 2.666 . 3.377 2.904 2.395 3.923 0.546 10 1 "[ . +]" 1 2083 1 20 SER H 1 72 ASN HA 4.914 2.499 7.329 6.264 4.743 6.885 . 0 0 "[ . 1]" 1 2084 2 20 SER H 2 72 ASN HA 4.914 2.499 7.329 6.264 4.742 6.889 . 0 0 "[ . 1]" 1 2085 1 62 PHE H 1 62 PHE QD 4.721 2.492 6.950 3.144 2.618 3.669 . 0 0 "[ . 1]" 1 2086 2 62 PHE H 2 62 PHE QD 4.721 2.492 6.950 3.145 2.615 3.676 . 0 0 "[ . 1]" 1 2087 1 17 TYR QD 1 20 SER H 6.056 2.388 9.724 5.249 5.100 5.519 . 0 0 "[ . 1]" 1 2088 2 17 TYR QD 2 20 SER H 6.056 2.388 9.724 5.248 5.102 5.515 . 0 0 "[ . 1]" 1 2089 1 20 SER H 1 21 ILE H 2.475 . 3.087 2.576 2.462 2.723 . 0 0 "[ . 1]" 1 2090 2 20 SER H 2 21 ILE H 2.475 . 3.087 2.574 2.457 2.713 . 0 0 "[ . 1]" 1 2091 1 19 SER H 1 20 SER H 2.625 . 3.314 2.661 2.600 2.777 . 0 0 "[ . 1]" 1 2092 2 19 SER H 2 20 SER H 2.625 . 3.314 2.660 2.600 2.771 . 0 0 "[ . 1]" 1 2093 1 20 SER H 1 23 GLU H 4.366 2.460 6.272 4.665 4.472 4.914 . 0 0 "[ . 1]" 1 2094 2 20 SER H 2 23 GLU H 4.366 2.460 6.272 4.664 4.470 4.916 . 0 0 "[ . 1]" 1 2095 1 18 PHE H 1 20 SER H 4.366 2.459 6.273 4.095 3.976 4.346 . 0 0 "[ . 1]" 1 2096 2 18 PHE H 2 20 SER H 4.366 2.459 6.273 4.094 3.974 4.340 . 0 0 "[ . 1]" 1 2097 1 20 SER H 1 22 VAL H 4.099 2.419 5.779 4.259 4.129 4.495 . 0 0 "[ . 1]" 1 2098 2 20 SER H 2 22 VAL H 4.099 2.419 5.779 4.257 4.125 4.487 . 0 0 "[ . 1]" 1 2099 1 56 ILE MG 1 57 LEU H 4.649 2.487 6.811 3.426 3.246 3.620 . 0 0 "[ . 1]" 1 2100 2 56 ILE MG 2 57 LEU H 4.649 2.487 6.811 3.426 3.246 3.620 . 0 0 "[ . 1]" 1 2101 1 12 ALA MB 1 57 LEU H 4.780 2.495 7.065 3.570 3.376 3.815 . 0 0 "[ . 1]" 1 2102 2 12 ALA MB 2 57 LEU H 4.780 2.495 7.065 3.571 3.374 3.819 . 0 0 "[ . 1]" 1 2103 1 57 LEU H 1 57 LEU HB2 4.502 2.475 6.529 2.523 2.453 2.576 0.022 1 0 "[ . 1]" 1 2104 2 57 LEU H 2 57 LEU HB2 4.502 2.475 6.529 2.523 2.456 2.577 0.019 1 0 "[ . 1]" 1 2105 1 54 SER HA 1 57 LEU H 4.968 2.500 7.436 3.583 3.436 3.692 . 0 0 "[ . 1]" 1 2106 2 54 SER HA 2 57 LEU H 4.968 2.500 7.436 3.582 3.429 3.690 . 0 0 "[ . 1]" 1 2107 1 56 ILE HA 1 57 LEU H 4.690 2.491 6.889 3.538 3.518 3.558 . 0 0 "[ . 1]" 1 2108 2 56 ILE HA 2 57 LEU H 4.690 2.491 6.889 3.538 3.520 3.558 . 0 0 "[ . 1]" 1 2109 1 29 GLU HB2 1 30 ASP H 3.208 2.179 4.237 2.681 2.277 3.877 . 0 0 "[ . 1]" 1 2110 2 29 GLU HB2 2 30 ASP H 3.208 2.179 4.237 2.683 2.275 3.879 . 0 0 "[ . 1]" 1 2111 1 30 ASP H 1 30 ASP HB3 2.590 . 3.261 2.675 2.498 3.599 0.338 6 0 "[ . 1]" 1 2112 2 30 ASP H 2 30 ASP HB3 2.590 . 3.261 2.678 2.505 3.599 0.338 6 0 "[ . 1]" 1 2113 1 30 ASP H 1 30 ASP HB2 2.687 . 6.000 2.632 2.449 3.615 . 0 0 "[ . 1]" 1 2114 2 30 ASP H 2 30 ASP HB2 2.687 . 6.000 2.631 2.449 3.616 . 0 0 "[ . 1]" 1 2115 1 29 GLU QG 1 30 ASP H 4.088 2.417 5.759 3.836 2.368 4.156 0.049 5 0 "[ . 1]" 1 2116 2 29 GLU QG 2 30 ASP H 4.088 2.417 5.759 3.838 2.376 4.159 0.041 5 0 "[ . 1]" 1 2117 1 30 ASP H 1 33 ASP QB 5.000 2.500 7.500 5.075 4.880 5.342 . 0 0 "[ . 1]" 1 2118 2 30 ASP H 2 33 ASP QB 5.000 2.500 7.500 5.077 4.887 5.339 . 0 0 "[ . 1]" 1 2119 1 30 ASP H 1 31 GLY HA2 5.049 2.500 7.598 5.258 5.179 5.327 . 0 0 "[ . 1]" 1 2120 2 30 ASP H 2 31 GLY HA2 5.049 2.500 7.598 5.258 5.175 5.327 . 0 0 "[ . 1]" 1 2121 1 30 ASP H 1 31 GLY HA3 4.721 2.492 6.950 4.887 4.783 4.994 . 0 0 "[ . 1]" 1 2122 2 30 ASP H 2 31 GLY HA3 4.721 2.492 6.950 4.886 4.781 4.993 . 0 0 "[ . 1]" 1 2123 1 29 GLU HA 1 30 ASP H 3.593 2.302 4.884 3.544 3.485 3.589 . 0 0 "[ . 1]" 1 2124 2 29 GLU HA 2 30 ASP H 3.593 2.302 4.884 3.544 3.485 3.588 . 0 0 "[ . 1]" 1 2125 1 30 ASP H 1 30 ASP HA 2.635 . 3.329 2.825 2.794 2.853 . 0 0 "[ . 1]" 1 2126 2 30 ASP H 2 30 ASP HA 2.635 . 3.329 2.825 2.793 2.853 . 0 0 "[ . 1]" 1 2127 1 30 ASP H 1 32 ALA H 3.715 2.335 5.095 4.056 3.822 4.210 . 0 0 "[ . 1]" 1 2128 2 30 ASP H 2 32 ALA H 3.715 2.335 5.095 4.054 3.820 4.205 . 0 0 "[ . 1]" 1 2129 1 22 VAL H 1 27 ILE MG 3.790 2.353 5.227 4.184 4.086 4.307 . 0 0 "[ . 1]" 1 2130 2 22 VAL H 2 27 ILE MG 3.790 2.353 5.227 4.184 4.088 4.309 . 0 0 "[ . 1]" 1 2131 1 22 VAL H 1 35 LEU MD1 3.747 2.343 5.151 3.974 3.928 4.069 . 0 0 "[ . 1]" 1 2132 2 22 VAL H 2 35 LEU MD1 3.747 2.343 5.151 3.974 3.925 4.069 . 0 0 "[ . 1]" 1 2133 1 22 VAL H 1 22 VAL HB 2.805 2.018 3.592 3.644 3.635 3.653 0.061 7 0 "[ . 1]" 1 2134 2 22 VAL H 2 22 VAL HB 2.805 2.018 3.592 3.644 3.634 3.654 0.062 7 0 "[ . 1]" 1 2135 1 21 ILE HB 1 22 VAL H 2.540 . 3.185 2.564 2.462 2.624 . 0 0 "[ . 1]" 1 2136 2 21 ILE HB 2 22 VAL H 2.540 . 3.185 2.565 2.467 2.626 . 0 0 "[ . 1]" 1 2137 1 21 ILE HG12 1 22 VAL H 4.228 2.440 6.016 4.294 4.220 4.366 . 0 0 "[ . 1]" 1 2138 2 21 ILE HG12 2 22 VAL H 4.228 2.440 6.016 4.295 4.223 4.370 . 0 0 "[ . 1]" 1 2139 1 21 ILE HG13 1 22 VAL H 4.849 2.498 7.200 4.944 4.852 4.999 . 0 0 "[ . 1]" 1 2140 2 21 ILE HG13 2 22 VAL H 4.849 2.498 7.200 4.946 4.857 5.002 . 0 0 "[ . 1]" 1 2141 1 18 PHE HB2 1 22 VAL H 5.478 2.477 8.479 5.636 5.543 5.786 . 0 0 "[ . 1]" 1 2142 2 18 PHE HB2 2 22 VAL H 5.478 2.477 8.479 5.636 5.543 5.788 . 0 0 "[ . 1]" 1 2143 1 18 PHE HA 1 22 VAL H 4.385 2.462 6.308 3.921 3.839 4.127 . 0 0 "[ . 1]" 1 2144 2 18 PHE HA 2 22 VAL H 4.385 2.462 6.308 3.921 3.838 4.129 . 0 0 "[ . 1]" 1 2145 1 20 SER HA 1 22 VAL H 4.534 2.478 6.590 4.579 4.453 4.776 . 0 0 "[ . 1]" 1 2146 2 20 SER HA 2 22 VAL H 4.534 2.478 6.590 4.577 4.451 4.771 . 0 0 "[ . 1]" 1 2147 1 19 SER HA 1 22 VAL H 3.500 2.275 4.725 3.647 3.419 3.772 . 0 0 "[ . 1]" 1 2148 2 19 SER HA 2 22 VAL H 3.500 2.275 4.725 3.647 3.420 3.777 . 0 0 "[ . 1]" 1 2149 1 21 ILE HA 1 22 VAL H 3.474 2.267 4.681 3.567 3.557 3.583 . 0 0 "[ . 1]" 1 2150 2 21 ILE HA 2 22 VAL H 3.474 2.267 4.681 3.567 3.558 3.583 . 0 0 "[ . 1]" 1 2151 1 22 VAL H 1 22 VAL HA 2.747 . 3.502 2.856 2.847 2.865 . 0 0 "[ . 1]" 1 2152 2 22 VAL H 2 22 VAL HA 2.747 . 3.502 2.856 2.847 2.865 . 0 0 "[ . 1]" 1 2153 1 33 ASP H 1 33 ASP QB 2.320 . 2.858 2.272 2.260 2.301 . 0 0 "[ . 1]" 1 2154 2 33 ASP H 2 33 ASP QB 2.320 . 2.858 2.272 2.257 2.301 . 0 0 "[ . 1]" 1 2155 1 30 ASP HB2 1 33 ASP H 5.005 2.500 7.510 5.771 5.406 5.942 . 0 0 "[ . 1]" 1 2156 2 30 ASP HB2 2 33 ASP H 5.005 2.500 7.510 5.772 5.407 5.946 . 0 0 "[ . 1]" 1 2157 1 29 GLU HB2 1 33 ASP H 4.248 2.443 6.053 5.641 4.827 5.858 . 0 0 "[ . 1]" 1 2158 2 29 GLU HB2 2 33 ASP H 4.248 2.443 6.053 5.642 4.826 5.862 . 0 0 "[ . 1]" 1 2159 1 32 ALA MB 1 33 ASP H 2.265 . 2.778 2.417 2.370 2.492 . 0 0 "[ . 1]" 1 2160 2 32 ALA MB 2 33 ASP H 2.265 . 2.778 2.417 2.368 2.489 . 0 0 "[ . 1]" 1 2161 1 27 ILE MG 1 33 ASP H 4.157 2.429 5.885 4.727 4.597 4.903 . 0 0 "[ . 1]" 1 2162 2 27 ILE MG 2 33 ASP H 4.157 2.429 5.885 4.728 4.596 4.903 . 0 0 "[ . 1]" 1 2163 1 27 ILE MD 1 33 ASP H 4.753 2.494 7.012 5.282 5.233 5.345 . 0 0 "[ . 1]" 1 2164 2 27 ILE MD 2 33 ASP H 4.753 2.494 7.012 5.283 5.235 5.349 . 0 0 "[ . 1]" 1 2165 1 29 GLU HA 1 33 ASP H 3.823 2.362 5.284 4.066 3.929 4.265 . 0 0 "[ . 1]" 1 2166 2 29 GLU HA 2 33 ASP H 3.823 2.362 5.284 4.065 3.921 4.264 . 0 0 "[ . 1]" 1 2167 1 32 ALA HA 1 33 ASP H 3.096 2.137 4.055 3.560 3.554 3.571 . 0 0 "[ . 1]" 1 2168 2 32 ALA HA 2 33 ASP H 3.096 2.137 4.055 3.561 3.551 3.573 . 0 0 "[ . 1]" 1 2169 1 31 GLY HA3 1 33 ASP H 4.467 2.471 6.463 4.816 4.749 4.927 . 0 0 "[ . 1]" 1 2170 2 31 GLY HA3 2 33 ASP H 4.467 2.471 6.463 4.818 4.753 4.930 . 0 0 "[ . 1]" 1 2171 1 33 ASP H 1 33 ASP HA 2.518 . 3.152 2.810 2.798 2.822 . 0 0 "[ . 1]" 1 2172 2 33 ASP H 2 33 ASP HA 2.518 . 3.152 2.809 2.798 2.822 . 0 0 "[ . 1]" 1 2173 1 33 ASP H 1 34 SER HA 5.227 2.494 7.960 5.284 5.255 5.329 . 0 0 "[ . 1]" 1 2174 2 33 ASP H 2 34 SER HA 5.227 2.494 7.960 5.285 5.255 5.335 . 0 0 "[ . 1]" 1 2175 1 32 ALA H 1 33 ASP H 2.487 . 3.106 2.846 2.817 2.888 . 0 0 "[ . 1]" 1 2176 2 32 ALA H 2 33 ASP H 2.487 . 3.106 2.847 2.817 2.893 . 0 0 "[ . 1]" 1 2177 1 33 ASP H 1 35 LEU H 3.760 2.346 5.174 4.034 4.008 4.098 . 0 0 "[ . 1]" 1 2178 2 33 ASP H 2 35 LEU H 3.760 2.346 5.174 4.036 4.006 4.100 . 0 0 "[ . 1]" 1 2179 1 9 GLU H 1 10 ILE H 2.489 . 3.109 2.685 2.603 2.753 . 0 0 "[ . 1]" 1 2180 2 9 GLU H 2 10 ILE H 2.489 . 3.109 2.685 2.599 2.756 . 0 0 "[ . 1]" 1 2181 1 8 GLU H 1 9 GLU H 2.582 . 3.249 2.691 2.601 2.834 . 0 0 "[ . 1]" 1 2182 2 8 GLU H 2 9 GLU H 2.582 . 3.249 2.689 2.601 2.831 . 0 0 "[ . 1]" 1 2183 1 6 SER HA 1 9 GLU H 5.345 2.488 8.202 4.667 4.448 4.883 . 0 0 "[ . 1]" 1 2184 2 6 SER HA 2 9 GLU H 5.345 2.488 8.202 4.667 4.443 4.888 . 0 0 "[ . 1]" 1 2185 1 6 SER HB2 1 9 GLU H 4.006 2.401 5.611 3.247 2.273 4.351 0.128 10 0 "[ . 1]" 1 2186 2 6 SER HB2 2 9 GLU H 4.006 2.401 5.611 3.249 2.275 4.359 0.126 10 0 "[ . 1]" 1 2187 1 6 SER HB3 1 9 GLU H 3.730 2.338 5.122 3.557 2.479 4.762 . 0 0 "[ . 1]" 1 2188 2 6 SER HB3 2 9 GLU H 3.730 2.338 5.122 3.558 2.479 4.763 . 0 0 "[ . 1]" 1 2189 1 8 GLU HA 1 9 GLU H 3.626 2.311 4.941 3.534 3.522 3.551 . 0 0 "[ . 1]" 1 2190 2 8 GLU HA 2 9 GLU H 3.626 2.311 4.941 3.534 3.522 3.548 . 0 0 "[ . 1]" 1 2191 1 9 GLU H 1 9 GLU HA 2.770 2.003 3.537 2.808 2.794 2.836 . 0 0 "[ . 1]" 1 2192 2 9 GLU H 2 9 GLU HA 2.770 2.003 3.537 2.808 2.793 2.837 . 0 0 "[ . 1]" 1 2193 1 9 GLU H 1 10 ILE HA 5.104 2.499 7.709 5.290 5.226 5.340 . 0 0 "[ . 1]" 1 2194 2 9 GLU H 2 10 ILE HA 5.104 2.499 7.709 5.290 5.221 5.344 . 0 0 "[ . 1]" 1 2195 1 8 GLU HG2 1 9 GLU H 3.960 2.392 5.528 3.795 3.288 4.843 . 0 0 "[ . 1]" 1 2196 2 8 GLU HG2 2 9 GLU H 3.960 2.392 5.528 3.795 3.287 4.847 . 0 0 "[ . 1]" 1 2197 1 9 GLU H 1 9 GLU HB2 2.653 . 3.357 2.548 2.475 2.665 . 0 0 "[ . 1]" 1 2198 2 9 GLU H 2 9 GLU HB2 2.653 . 3.357 2.549 2.473 2.666 . 0 0 "[ . 1]" 1 2199 1 9 GLU H 1 9 GLU HG3 2.261 . 2.772 2.072 1.915 2.205 . 0 0 "[ . 1]" 1 2200 2 9 GLU H 2 9 GLU HG3 2.261 . 2.772 2.073 1.915 2.200 . 0 0 "[ . 1]" 1 2201 1 9 GLU H 1 9 GLU HB3 3.508 2.278 4.738 3.585 3.567 3.601 . 0 0 "[ . 1]" 1 2202 2 9 GLU H 2 9 GLU HB3 3.508 2.278 4.738 3.585 3.568 3.601 . 0 0 "[ . 1]" 1 2203 1 9 GLU H 1 56 ILE MD 5.009 2.500 7.518 5.188 5.012 5.405 . 0 0 "[ . 1]" 1 2204 2 9 GLU H 2 56 ILE MD 5.009 2.500 7.518 5.188 5.015 5.406 . 0 0 "[ . 1]" 1 2205 1 5 ALA MB 1 9 GLU H 4.379 2.462 6.296 5.202 4.528 6.098 . 0 0 "[ . 1]" 1 2206 2 5 ALA MB 2 9 GLU H 4.379 2.462 6.296 5.201 4.529 6.096 . 0 0 "[ . 1]" 1 2207 1 9 GLU H 1 12 ALA MB 4.195 2.435 5.955 4.791 4.577 4.951 . 0 0 "[ . 1]" 1 2208 2 9 GLU H 2 12 ALA MB 4.195 2.435 5.955 4.791 4.577 4.948 . 0 0 "[ . 1]" 1 2209 1 53 VAL H 1 53 VAL MG1 2.271 . 2.787 2.185 2.094 2.271 . 0 0 "[ . 1]" 1 2210 2 53 VAL H 2 53 VAL MG1 2.271 . 2.787 2.186 2.092 2.269 . 0 0 "[ . 1]" 1 2211 1 53 VAL H 1 56 ILE HB 4.897 2.499 7.295 5.366 5.188 5.593 . 0 0 "[ . 1]" 1 2212 2 53 VAL H 2 56 ILE HB 4.897 2.499 7.295 5.366 5.187 5.594 . 0 0 "[ . 1]" 1 2213 1 53 VAL H 1 53 VAL HB 2.691 . 6.000 3.637 3.628 3.649 . 0 0 "[ . 1]" 1 2214 2 53 VAL H 2 53 VAL HB 2.691 . 6.000 3.637 3.630 3.649 . 0 0 "[ . 1]" 1 2215 1 48 PHE QD 1 53 VAL H 4.492 2.474 6.510 4.708 4.501 5.105 . 0 0 "[ . 1]" 1 2216 2 48 PHE QD 2 53 VAL H 4.492 2.474 6.510 4.708 4.500 5.101 . 0 0 "[ . 1]" 1 2217 1 52 ALA H 1 53 VAL H 2.507 . 3.136 2.409 2.327 2.554 . 0 0 "[ . 1]" 1 2218 2 52 ALA H 2 53 VAL H 2.507 . 3.136 2.406 2.325 2.548 . 0 0 "[ . 1]" 1 2219 1 53 VAL H 1 54 SER H 3.177 2.168 4.186 2.945 2.829 3.050 . 0 0 "[ . 1]" 1 2220 2 53 VAL H 2 54 SER H 3.177 2.168 4.186 2.946 2.831 3.047 . 0 0 "[ . 1]" 1 2221 1 65 GLN H 1 66 HIS HA 4.745 2.493 6.997 5.682 5.337 6.249 . 0 0 "[ . 1]" 1 2222 2 65 GLN H 2 66 HIS HA 4.745 2.493 6.997 5.680 5.333 6.246 . 0 0 "[ . 1]" 1 2223 1 65 GLN H 1 65 GLN HA 2.993 2.097 3.889 2.603 2.252 2.912 . 0 0 "[ . 1]" 1 2224 2 65 GLN H 2 65 GLN HA 2.993 2.097 3.889 2.604 2.254 2.913 . 0 0 "[ . 1]" 1 2225 1 64 GLY HA2 1 65 GLN H 3.345 2.226 4.464 3.255 2.645 3.567 . 0 0 "[ . 1]" 1 2226 2 64 GLY HA2 2 65 GLN H 3.345 2.226 4.464 3.255 2.642 3.567 . 0 0 "[ . 1]" 1 2227 1 64 GLY HA3 1 65 GLN H 3.251 2.194 4.308 3.020 2.235 3.548 . 0 0 "[ . 1]" 1 2228 2 64 GLY HA3 2 65 GLN H 3.251 2.194 4.308 3.021 2.236 3.546 . 0 0 "[ . 1]" 1 2229 1 65 GLN H 1 65 GLN QG 2.492 2.387 3.113 2.440 1.870 3.071 0.517 6 2 "[- .+ 1]" 1 2230 2 65 GLN H 2 65 GLN QG 2.492 2.387 3.113 2.441 1.876 3.071 0.511 6 2 "[- .+ 1]" 1 2231 1 65 GLN H 1 65 GLN QB 3.239 2.190 4.288 2.884 2.405 3.446 . 0 0 "[ . 1]" 1 2232 2 65 GLN H 2 65 GLN QB 3.239 2.190 4.288 2.885 2.404 3.447 . 0 0 "[ . 1]" 1 2233 1 62 PHE HB3 1 65 GLN H 4.131 2.425 5.837 4.046 2.583 5.478 . 0 0 "[ . 1]" 1 2234 2 62 PHE HB3 2 65 GLN H 4.131 2.425 5.837 4.047 2.577 5.483 . 0 0 "[ . 1]" 1 2235 1 62 PHE HB2 1 65 GLN H 4.884 2.499 7.269 4.366 2.997 5.446 . 0 0 "[ . 1]" 1 2236 2 62 PHE HB2 2 65 GLN H 4.884 2.499 7.269 4.367 2.995 5.446 . 0 0 "[ . 1]" 1 2237 1 65 GLN H 1 70 ILE MD 6.123 2.374 9.872 4.902 2.360 6.287 0.014 4 0 "[ . 1]" 1 2238 2 65 GLN H 2 70 ILE MD 6.123 2.374 9.872 4.902 2.361 6.290 0.013 4 0 "[ . 1]" 1 2239 1 44 GLU H 1 46 PHE H 4.358 2.458 6.258 4.525 4.354 4.621 . 0 0 "[ . 1]" 1 2240 2 44 GLU H 2 46 PHE H 4.358 2.458 6.258 4.525 4.354 4.624 . 0 0 "[ . 1]" 1 2241 1 44 GLU H 1 45 ALA H 2.530 . 3.170 2.664 2.585 2.732 . 0 0 "[ . 1]" 1 2242 2 44 GLU H 2 45 ALA H 2.530 . 3.170 2.665 2.588 2.731 . 0 0 "[ . 1]" 1 2243 1 41 CYS H 1 44 GLU H 4.675 2.489 6.861 4.667 4.469 4.921 . 0 0 "[ . 1]" 1 2244 2 41 CYS H 2 44 GLU H 4.675 2.489 6.861 4.666 4.468 4.920 . 0 0 "[ . 1]" 1 2245 1 44 GLU H 1 44 GLU HA 2.515 . 3.147 2.810 2.798 2.837 . 0 0 "[ . 1]" 1 2246 2 44 GLU H 2 44 GLU HA 2.515 . 3.147 2.810 2.797 2.837 . 0 0 "[ . 1]" 1 2247 1 40 ASP HA 1 44 GLU H 4.081 2.416 5.746 3.958 3.808 4.127 . 0 0 "[ . 1]" 1 2248 2 40 ASP HA 2 44 GLU H 4.081 2.416 5.746 3.957 3.797 4.126 . 0 0 "[ . 1]" 1 2249 1 41 CYS HA 1 44 GLU H 3.304 2.212 4.396 3.481 3.158 3.855 . 0 0 "[ . 1]" 1 2250 2 41 CYS HA 2 44 GLU H 3.304 2.212 4.396 3.481 3.158 3.852 . 0 0 "[ . 1]" 1 2251 1 43 SER HB2 1 44 GLU H 2.999 2.099 3.899 2.986 2.523 3.743 . 0 0 "[ . 1]" 1 2252 2 43 SER HB2 2 44 GLU H 2.999 2.099 3.899 2.985 2.524 3.739 . 0 0 "[ . 1]" 1 2253 1 43 SER HA 1 44 GLU H 3.604 2.305 4.903 3.525 3.500 3.543 . 0 0 "[ . 1]" 1 2254 2 43 SER HA 2 44 GLU H 3.604 2.305 4.903 3.526 3.501 3.546 . 0 0 "[ . 1]" 1 2255 1 42 ILE HA 1 44 GLU H 4.253 2.444 6.062 4.499 4.336 4.687 . 0 0 "[ . 1]" 1 2256 2 42 ILE HA 2 44 GLU H 4.253 2.444 6.062 4.501 4.342 4.695 . 0 0 "[ . 1]" 1 2257 1 44 GLU H 1 44 GLU HG2 3.913 2.382 5.444 4.537 4.398 4.629 . 0 0 "[ . 1]" 1 2258 2 44 GLU H 2 44 GLU HG2 3.913 2.382 5.444 4.537 4.397 4.629 . 0 0 "[ . 1]" 1 2259 1 44 GLU H 1 44 GLU HB3 2.321 . 2.860 2.594 2.469 2.720 . 0 0 "[ . 1]" 1 2260 2 44 GLU H 2 44 GLU HB3 2.321 . 2.860 2.594 2.467 2.719 . 0 0 "[ . 1]" 1 2261 1 44 GLU H 1 44 GLU HB2 2.413 . 2.995 2.445 2.297 2.513 . 0 0 "[ . 1]" 1 2262 2 44 GLU H 2 44 GLU HB2 2.413 . 2.995 2.444 2.297 2.513 . 0 0 "[ . 1]" 1 2263 1 42 ILE HB 1 44 GLU H 4.875 2.499 7.251 4.947 4.764 5.133 . 0 0 "[ . 1]" 1 2264 2 42 ILE HB 2 44 GLU H 4.875 2.499 7.251 4.948 4.770 5.139 . 0 0 "[ . 1]" 1 2265 1 37 VAL H 1 37 VAL MG1 1.992 . 2.389 2.175 2.154 2.200 . 0 0 "[ . 1]" 1 2266 2 37 VAL H 2 37 VAL MG1 1.992 . 2.389 2.174 2.149 2.201 . 0 0 "[ . 1]" 1 2267 1 37 VAL H 1 37 VAL MG2 2.450 . 3.050 2.092 2.065 2.125 . 0 0 "[ . 1]" 1 2268 2 37 VAL H 2 37 VAL MG2 2.450 . 3.050 2.094 2.064 2.125 . 0 0 "[ . 1]" 1 2269 1 35 LEU HB3 1 37 VAL H 5.339 2.489 8.189 5.805 5.734 5.901 . 0 0 "[ . 1]" 1 2270 2 35 LEU HB3 2 37 VAL H 5.339 2.489 8.189 5.807 5.737 5.906 . 0 0 "[ . 1]" 1 2271 1 37 VAL H 1 38 ALA MB 4.222 2.440 6.004 4.236 4.186 4.301 . 0 0 "[ . 1]" 1 2272 2 37 VAL H 2 38 ALA MB 4.222 2.440 6.004 4.237 4.183 4.306 . 0 0 "[ . 1]" 1 2273 1 37 VAL H 1 39 MET ME 4.963 2.500 7.426 4.762 4.688 4.831 . 0 0 "[ . 1]" 1 2274 2 37 VAL H 2 39 MET ME 4.963 2.500 7.426 4.763 4.688 4.831 . 0 0 "[ . 1]" 1 2275 1 37 VAL H 1 37 VAL HB 2.678 . 6.000 3.646 3.633 3.654 . 0 0 "[ . 1]" 1 2276 2 37 VAL H 2 37 VAL HB 2.678 . 6.000 3.645 3.634 3.655 . 0 0 "[ . 1]" 1 2277 1 36 ASN HB2 1 37 VAL H 2.408 . 2.988 2.668 2.585 2.725 . 0 0 "[ . 1]" 1 2278 2 36 ASN HB2 2 37 VAL H 2.408 . 2.988 2.670 2.590 2.726 . 0 0 "[ . 1]" 1 2279 1 37 VAL H 1 37 VAL HA 2.724 . 3.466 2.843 2.823 2.860 . 0 0 "[ . 1]" 1 2280 2 37 VAL H 2 37 VAL HA 2.724 . 3.466 2.843 2.822 2.858 . 0 0 "[ . 1]" 1 2281 1 36 ASN HA 1 37 VAL H 3.616 2.309 4.923 3.570 3.559 3.579 . 0 0 "[ . 1]" 1 2282 2 36 ASN HA 2 37 VAL H 3.616 2.309 4.923 3.570 3.560 3.577 . 0 0 "[ . 1]" 1 2283 1 34 SER HA 1 37 VAL H 3.210 2.180 4.240 3.573 3.523 3.619 . 0 0 "[ . 1]" 1 2284 2 34 SER HA 2 37 VAL H 3.210 2.180 4.240 3.576 3.525 3.622 . 0 0 "[ . 1]" 1 2285 1 37 VAL H 1 39 MET H 4.447 2.470 6.424 4.372 4.307 4.430 . 0 0 "[ . 1]" 1 2286 2 37 VAL H 2 39 MET H 4.447 2.470 6.424 4.373 4.306 4.429 . 0 0 "[ . 1]" 1 2287 1 36 ASN H 1 37 VAL H 2.582 . 3.249 2.798 2.750 2.819 . 0 0 "[ . 1]" 1 2288 2 36 ASN H 2 37 VAL H 2.582 . 3.249 2.798 2.751 2.821 . 0 0 "[ . 1]" 1 2289 1 70 ILE H 1 70 ILE HA 3.365 2.232 4.498 2.695 2.261 2.943 . 0 0 "[ . 1]" 1 2290 2 70 ILE H 2 70 ILE HA 3.365 2.232 4.498 2.696 2.265 2.943 . 0 0 "[ . 1]" 1 2291 1 33 ASP HA 1 34 SER H 3.305 2.213 4.397 3.522 3.509 3.543 . 0 0 "[ . 1]" 1 2292 2 33 ASP HA 2 34 SER H 3.305 2.213 4.397 3.523 3.510 3.547 . 0 0 "[ . 1]" 1 2293 1 34 SER H 1 34 SER HA 2.768 2.002 3.534 2.813 2.799 2.821 . 0 0 "[ . 1]" 1 2294 2 34 SER H 2 34 SER HA 2.768 2.002 3.534 2.813 2.798 2.821 . 0 0 "[ . 1]" 1 2295 1 34 SER H 1 34 SER HB3 2.426 . 3.014 3.034 2.616 3.589 0.575 4 4 "[** +. - 1]" 1 2296 2 34 SER H 2 34 SER HB3 2.426 . 3.014 3.033 2.613 3.587 0.573 4 4 "[-* +. * 1]" 1 2297 1 31 GLY HA2 1 34 SER H 3.292 2.208 4.376 3.376 3.147 3.528 . 0 0 "[ . 1]" 1 2298 2 31 GLY HA2 2 34 SER H 3.292 2.208 4.376 3.376 3.144 3.535 . 0 0 "[ . 1]" 1 2299 1 31 GLY HA3 1 34 SER H 4.354 2.459 6.249 4.565 4.388 4.656 . 0 0 "[ . 1]" 1 2300 2 31 GLY HA3 2 34 SER H 4.354 2.459 6.249 4.564 4.385 4.661 . 0 0 "[ . 1]" 1 2301 1 33 ASP QB 1 34 SER H . 2.318 3.179 2.595 2.505 2.643 . 0 0 "[ . 1]" 1 2302 2 33 ASP QB 2 34 SER H . 2.318 3.179 2.597 2.507 2.657 . 0 0 "[ . 1]" 1 2303 1 34 SER H 1 35 LEU HB3 5.762 2.442 9.082 6.218 6.176 6.273 . 0 0 "[ . 1]" 1 2304 2 34 SER H 2 35 LEU HB3 5.762 2.442 9.082 6.220 6.172 6.279 . 0 0 "[ . 1]" 1 2305 1 27 ILE MD 1 34 SER H 4.898 2.499 7.297 5.091 5.003 5.195 . 0 0 "[ . 1]" 1 2306 2 27 ILE MD 2 34 SER H 4.898 2.499 7.297 5.092 4.999 5.198 . 0 0 "[ . 1]" 1 2307 1 34 SER H 1 35 LEU MD2 5.415 2.483 8.347 5.270 5.175 5.350 . 0 0 "[ . 1]" 1 2308 2 34 SER H 2 35 LEU MD2 5.415 2.483 8.347 5.271 5.183 5.354 . 0 0 "[ . 1]" 1 2309 1 34 SER H 1 35 LEU MD1 5.415 2.483 8.347 5.459 5.397 5.536 . 0 0 "[ . 1]" 1 2310 2 34 SER H 2 35 LEU MD1 5.415 2.483 8.347 5.460 5.395 5.538 . 0 0 "[ . 1]" 1 2311 1 32 ALA H 1 34 SER H 4.104 2.420 5.788 4.152 4.045 4.278 . 0 0 "[ . 1]" 1 2312 2 32 ALA H 2 34 SER H 4.104 2.420 5.788 4.152 4.043 4.276 . 0 0 "[ . 1]" 1 2313 1 34 SER H 1 35 LEU H 2.512 . 3.143 2.636 2.601 2.691 . 0 0 "[ . 1]" 1 2314 2 34 SER H 2 35 LEU H 2.512 . 3.143 2.638 2.600 2.697 . 0 0 "[ . 1]" 1 2315 1 25 LYS HA 1 26 GLU H 2.575 . 3.238 2.736 2.640 2.792 . 0 0 "[ . 1]" 1 2316 2 25 LYS HA 2 26 GLU H 2.575 . 3.238 2.737 2.637 2.793 . 0 0 "[ . 1]" 1 2317 1 21 ILE HA 1 26 GLU H 3.479 2.269 4.689 3.543 3.371 3.655 . 0 0 "[ . 1]" 1 2318 2 21 ILE HA 2 26 GLU H 3.479 2.269 4.689 3.542 3.368 3.649 . 0 0 "[ . 1]" 1 2319 1 22 VAL HA 1 26 GLU H 3.759 2.346 5.172 3.839 3.645 4.084 . 0 0 "[ . 1]" 1 2320 2 22 VAL HA 2 26 GLU H 3.759 2.346 5.172 3.840 3.649 4.079 . 0 0 "[ . 1]" 1 2321 1 26 GLU H 1 26 GLU HA 2.861 2.042 3.680 2.877 2.850 2.898 . 0 0 "[ . 1]" 1 2322 2 26 GLU H 2 26 GLU HA 2.861 2.042 3.680 2.878 2.851 2.900 . 0 0 "[ . 1]" 1 2323 1 62 PHE H 1 62 PHE HA 3.578 2.298 4.858 2.538 2.259 2.879 0.039 8 0 "[ . 1]" 1 2324 2 62 PHE H 2 62 PHE HA 3.578 2.298 4.858 2.538 2.259 2.877 0.039 8 0 "[ . 1]" 1 2325 1 62 PHE H 1 62 PHE HB2 4.003 2.400 5.606 3.024 2.390 3.703 0.010 4 0 "[ . 1]" 1 2326 2 62 PHE H 2 62 PHE HB2 4.003 2.400 5.606 3.025 2.392 3.708 0.008 4 0 "[ . 1]" 1 2327 1 21 ILE MG 1 26 GLU H 3.052 2.121 3.983 3.108 3.003 3.191 . 0 0 "[ . 1]" 1 2328 2 21 ILE MG 2 26 GLU H 3.052 2.121 3.983 3.108 3.008 3.191 . 0 0 "[ . 1]" 1 2329 1 26 GLU H 1 27 ILE MG 3.528 2.284 4.772 3.597 3.478 3.759 . 0 0 "[ . 1]" 1 2330 2 26 GLU H 2 27 ILE MG 3.528 2.284 4.772 3.597 3.472 3.763 . 0 0 "[ . 1]" 1 2331 1 26 GLU H 1 26 GLU QG 2.389 . 2.960 2.560 2.047 2.895 . 0 0 "[ . 1]" 1 2332 2 26 GLU H 2 26 GLU QG 2.389 . 2.960 2.560 2.052 2.897 . 0 0 "[ . 1]" 1 2333 1 26 GLU H 1 26 GLU HB2 2.301 . 2.830 2.373 2.151 2.613 . 0 0 "[ . 1]" 1 2334 2 26 GLU H 2 26 GLU HB2 2.301 . 2.830 2.373 2.153 2.605 . 0 0 "[ . 1]" 1 2335 1 23 GLU H 1 26 GLU H 5.142 2.498 7.786 5.390 5.151 5.583 . 0 0 "[ . 1]" 1 2336 2 23 GLU H 2 26 GLU H 5.142 2.498 7.786 5.391 5.149 5.583 . 0 0 "[ . 1]" 1 2337 1 61 GLU H 1 62 PHE H 4.027 2.405 5.649 2.404 2.329 2.566 0.076 1 0 "[ . 1]" 1 2338 2 61 GLU H 2 62 PHE H 4.027 2.405 5.649 2.406 2.335 2.572 0.070 3 0 "[ . 1]" 1 2339 1 25 LYS H 1 26 GLU H 2.494 . 3.116 2.777 2.611 2.865 . 0 0 "[ . 1]" 1 2340 2 25 LYS H 2 26 GLU H 2.494 . 3.116 2.779 2.616 2.863 . 0 0 "[ . 1]" 1 2341 1 4 SER H 1 5 ALA MB 4.456 2.470 6.442 5.140 4.247 5.897 . 0 0 "[ . 1]" 1 2342 2 4 SER H 2 5 ALA MB 4.456 2.470 6.442 5.142 4.245 5.899 . 0 0 "[ . 1]" 1 2343 1 2 VAL HB 1 4 SER H 3.827 2.362 5.292 3.914 2.421 5.380 0.088 3 0 "[ . 1]" 1 2344 2 2 VAL HB 2 4 SER H 3.827 2.362 5.292 3.913 2.415 5.380 0.088 3 0 "[ . 1]" 1 2345 1 3 ASP HB3 1 4 SER H 3.727 2.338 5.116 3.850 2.676 4.457 . 0 0 "[ . 1]" 1 2346 2 3 ASP HB3 2 4 SER H 3.727 2.338 5.116 3.848 2.670 4.454 . 0 0 "[ . 1]" 1 2347 1 3 ASP HB2 1 4 SER H 3.817 2.360 5.274 4.291 3.731 4.643 . 0 0 "[ . 1]" 1 2348 2 3 ASP HB2 2 4 SER H 3.817 2.360 5.274 4.288 3.733 4.642 . 0 0 "[ . 1]" 1 2349 1 4 SER H 1 4 SER HB2 2.426 . 3.015 2.675 2.325 3.499 0.484 8 0 "[ . 1]" 1 2350 2 4 SER H 2 4 SER HB2 2.426 . 3.015 2.672 2.326 3.498 0.483 8 0 "[ . 1]" 1 2351 1 3 ASP HA 1 4 SER H 2.604 . 3.282 2.923 2.304 3.449 0.167 3 0 "[ . 1]" 1 2352 2 3 ASP HA 2 4 SER H 2.604 . 3.282 2.923 2.301 3.448 0.166 3 0 "[ . 1]" 1 2353 1 4 SER H 1 4 SER HB3 2.631 . 3.323 2.623 2.462 2.760 . 0 0 "[ . 1]" 1 2354 2 4 SER H 2 4 SER HB3 2.631 . 3.323 2.623 2.459 2.765 . 0 0 "[ . 1]" 1 2355 1 3 ASP H 1 4 SER H 2.317 . 2.854 2.491 1.735 2.944 0.090 6 0 "[ . 1]" 1 2356 2 3 ASP H 2 4 SER H 2.317 . 2.854 2.487 1.731 2.941 0.087 6 0 "[ . 1]" 1 2357 1 2 VAL MG2 1 4 SER H 3.210 2.179 4.241 3.028 2.158 4.391 0.150 7 0 "[ . 1]" 1 2358 2 2 VAL MG2 2 4 SER H 3.210 2.179 4.241 3.028 2.165 4.391 0.150 7 0 "[ . 1]" 1 2359 1 21 ILE MG 1 25 LYS H 4.432 2.467 6.397 4.621 4.497 4.766 . 0 0 "[ . 1]" 1 2360 2 21 ILE MG 2 25 LYS H 4.432 2.467 6.397 4.623 4.501 4.769 . 0 0 "[ . 1]" 1 2361 1 25 LYS H 1 27 ILE MG 4.289 2.449 6.129 4.696 4.548 4.850 . 0 0 "[ . 1]" 1 2362 2 25 LYS H 2 27 ILE MG 4.289 2.449 6.129 4.698 4.545 4.851 . 0 0 "[ . 1]" 1 2363 1 25 LYS H 1 25 LYS HG2 2.624 . 3.312 3.440 3.149 3.636 0.324 9 0 "[ . 1]" 1 2364 2 25 LYS H 2 25 LYS HG2 2.624 . 3.312 3.439 3.145 3.632 0.320 9 0 "[ . 1]" 1 2365 1 24 LYS HB3 1 25 LYS H 3.788 2.353 5.223 4.244 4.166 4.325 . 0 0 "[ . 1]" 1 2366 2 24 LYS HB3 2 25 LYS H 3.788 2.353 5.223 4.244 4.165 4.324 . 0 0 "[ . 1]" 1 2367 1 24 LYS H 1 24 LYS HB2 2.414 . 2.997 2.520 2.419 2.610 . 0 0 "[ . 1]" 1 2368 2 24 LYS H 2 24 LYS HB2 2.414 . 2.997 2.520 2.418 2.610 . 0 0 "[ . 1]" 1 2369 1 25 LYS H 1 25 LYS HE2 5.276 2.492 8.060 5.606 5.047 6.524 . 0 0 "[ . 1]" 1 2370 2 25 LYS H 2 25 LYS HE2 5.276 2.492 8.060 5.606 5.051 6.524 . 0 0 "[ . 1]" 1 2371 1 48 PHE H 1 48 PHE HB3 3.276 2.202 4.350 3.189 3.137 3.245 . 0 0 "[ . 1]" 1 2372 2 48 PHE H 2 48 PHE HB3 3.276 2.202 4.350 3.187 3.135 3.246 . 0 0 "[ . 1]" 1 2373 1 43 SER HA 1 48 PHE H 2.992 2.097 3.887 3.217 2.983 3.482 . 0 0 "[ . 1]" 1 2374 2 43 SER HA 2 48 PHE H 2.992 2.097 3.887 3.217 2.979 3.483 . 0 0 "[ . 1]" 1 2375 1 46 PHE HB2 1 48 PHE H 3.995 2.399 5.591 3.986 3.876 4.142 . 0 0 "[ . 1]" 1 2376 2 46 PHE HB2 2 48 PHE H 3.995 2.399 5.591 3.984 3.879 4.138 . 0 0 "[ . 1]" 1 2377 1 22 VAL HA 1 25 LYS H 3.196 2.175 4.217 3.245 3.139 3.340 . 0 0 "[ . 1]" 1 2378 2 22 VAL HA 2 25 LYS H 3.196 2.175 4.217 3.247 3.141 3.341 . 0 0 "[ . 1]" 1 2379 1 22 VAL HA 1 24 LYS H 4.251 2.444 6.058 4.418 4.330 4.490 . 0 0 "[ . 1]" 1 2380 2 22 VAL HA 2 24 LYS H 4.251 2.444 6.058 4.417 4.327 4.488 . 0 0 "[ . 1]" 1 2381 1 24 LYS H 1 24 LYS HA 2.805 2.018 3.592 2.888 2.863 2.912 . 0 0 "[ . 1]" 1 2382 2 24 LYS H 2 24 LYS HA 2.805 2.018 3.592 2.888 2.862 2.915 . 0 0 "[ . 1]" 1 2383 1 21 ILE HA 1 24 LYS H 3.506 2.277 4.735 3.763 3.619 4.132 . 0 0 "[ . 1]" 1 2384 2 21 ILE HA 2 24 LYS H 3.506 2.277 4.735 3.762 3.619 4.132 . 0 0 "[ . 1]" 1 2385 1 24 LYS HA 1 25 LYS H 3.076 2.130 4.022 3.263 3.221 3.315 . 0 0 "[ . 1]" 1 2386 2 24 LYS HA 2 25 LYS H 3.076 2.130 4.022 3.263 3.220 3.313 . 0 0 "[ . 1]" 1 2387 1 25 LYS H 1 25 LYS HA 2.036 . 2.451 2.254 2.250 2.259 . 0 0 "[ . 1]" 1 2388 2 25 LYS H 2 25 LYS HA 2.036 . 2.451 2.253 2.251 2.259 . 0 0 "[ . 1]" 1 2389 1 25 LYS H 1 26 GLU HA 4.885 2.498 7.272 5.244 5.135 5.318 . 0 0 "[ . 1]" 1 2390 2 25 LYS H 2 26 GLU HA 4.885 2.498 7.272 5.245 5.138 5.318 . 0 0 "[ . 1]" 1 2391 1 22 VAL MG2 1 24 LYS H 4.440 2.468 6.412 4.476 4.305 4.599 . 0 0 "[ . 1]" 1 2392 2 22 VAL MG2 2 24 LYS H 4.440 2.468 6.412 4.475 4.301 4.600 . 0 0 "[ . 1]" 1 2393 1 24 LYS H 1 24 LYS HB3 3.101 2.140 4.062 3.625 3.599 3.657 . 0 0 "[ . 1]" 1 2394 2 24 LYS H 2 24 LYS HB3 3.101 2.140 4.062 3.625 3.597 3.658 . 0 0 "[ . 1]" 1 2395 1 24 LYS H 1 24 LYS HG3 2.390 . 2.961 2.312 2.093 2.740 . 0 0 "[ . 1]" 1 2396 2 24 LYS H 2 24 LYS HG3 2.390 . 2.961 2.314 2.098 2.745 . 0 0 "[ . 1]" 1 2397 1 48 PHE H 1 48 PHE HA 2.815 2.023 3.607 2.926 2.906 2.936 . 0 0 "[ . 1]" 1 2398 2 48 PHE H 2 48 PHE HA 2.815 2.023 3.607 2.926 2.907 2.934 . 0 0 "[ . 1]" 1 2399 1 47 GLY HA2 1 48 PHE H 2.953 2.081 3.825 2.675 2.619 2.752 . 0 0 "[ . 1]" 1 2400 2 47 GLY HA2 2 48 PHE H 2.953 2.081 3.825 2.675 2.620 2.750 . 0 0 "[ . 1]" 1 2401 1 46 PHE HB3 1 48 PHE H 4.866 2.499 7.233 4.963 4.737 5.129 . 0 0 "[ . 1]" 1 2402 2 46 PHE HB3 2 48 PHE H 4.866 2.499 7.233 4.961 4.738 5.129 . 0 0 "[ . 1]" 1 2403 1 48 PHE H 1 48 PHE QD 3.507 2.277 4.737 2.353 2.257 2.559 0.020 8 0 "[ . 1]" 1 2404 2 48 PHE H 2 48 PHE QD 3.507 2.277 4.737 2.351 2.253 2.557 0.024 8 0 "[ . 1]" 1 2405 1 46 PHE H 1 48 PHE H 4.202 2.436 5.968 4.154 3.943 4.271 . 0 0 "[ . 1]" 1 2406 2 46 PHE H 2 48 PHE H 4.202 2.436 5.968 4.151 3.940 4.274 . 0 0 "[ . 1]" 1 2407 1 48 PHE H 1 49 GLU H 4.169 2.431 5.907 4.417 4.399 4.432 . 0 0 "[ . 1]" 1 2408 2 48 PHE H 2 49 GLU H 4.169 2.431 5.907 4.417 4.398 4.431 . 0 0 "[ . 1]" 1 2409 1 23 GLU H 1 25 LYS H 3.761 2.347 5.175 3.708 3.661 3.774 . 0 0 "[ . 1]" 1 2410 2 23 GLU H 2 25 LYS H 3.761 2.347 5.175 3.710 3.662 3.780 . 0 0 "[ . 1]" 1 2411 1 48 PHE H 1 56 ILE MD 4.840 2.497 7.183 5.917 5.466 6.337 . 0 0 "[ . 1]" 1 2412 2 48 PHE H 2 56 ILE MD 4.840 2.497 7.183 5.916 5.468 6.334 . 0 0 "[ . 1]" 1 2413 1 46 PHE HA 1 48 PHE H 5.178 2.497 7.859 5.376 5.242 5.504 . 0 0 "[ . 1]" 1 2414 2 46 PHE HA 2 48 PHE H 5.178 2.497 7.859 5.375 5.244 5.504 . 0 0 "[ . 1]" 1 2415 1 35 LEU MD2 1 39 MET H 4.365 2.460 6.270 4.949 4.824 5.074 . 0 0 "[ . 1]" 1 2416 2 35 LEU MD2 2 39 MET H 4.365 2.460 6.270 4.950 4.821 5.075 . 0 0 "[ . 1]" 1 2417 1 39 MET H 1 42 ILE MD 3.810 2.358 5.262 3.900 3.769 4.067 . 0 0 "[ . 1]" 1 2418 2 39 MET H 2 42 ILE MD 3.810 2.358 5.262 3.900 3.765 4.071 . 0 0 "[ . 1]" 1 2419 1 38 ALA MB 1 39 MET H 2.394 . 2.967 2.322 2.272 2.378 . 0 0 "[ . 1]" 1 2420 2 38 ALA MB 2 39 MET H 2.394 . 2.967 2.321 2.271 2.376 . 0 0 "[ . 1]" 1 2421 1 39 MET H 1 39 MET HB3 2.711 . 3.446 3.555 3.544 3.570 0.124 3 0 "[ . 1]" 1 2422 2 39 MET H 2 39 MET HB3 2.711 . 3.446 3.556 3.546 3.573 0.127 3 0 "[ . 1]" 1 2423 1 39 MET H 1 39 MET HB2 2.887 2.054 3.720 2.405 2.351 2.452 . 0 0 "[ . 1]" 1 2424 2 39 MET H 2 39 MET HB2 2.887 2.054 3.720 2.406 2.354 2.451 . 0 0 "[ . 1]" 1 2425 1 39 MET H 1 39 MET HG3 2.507 . 3.135 2.311 2.216 2.429 . 0 0 "[ . 1]" 1 2426 2 39 MET H 2 39 MET HG3 2.507 . 3.135 2.311 2.218 2.430 . 0 0 "[ . 1]" 1 2427 1 39 MET H 1 39 MET HA 2.925 2.070 3.780 2.774 2.760 2.783 . 0 0 "[ . 1]" 1 2428 2 39 MET H 2 39 MET HA 2.925 2.070 3.780 2.773 2.761 2.782 . 0 0 "[ . 1]" 1 2429 1 36 ASN HA 1 39 MET H 3.358 2.230 4.486 3.638 3.533 3.721 . 0 0 "[ . 1]" 1 2430 2 36 ASN HA 2 39 MET H 3.358 2.230 4.486 3.638 3.533 3.722 . 0 0 "[ . 1]" 1 2431 1 21 ILE H 1 24 LYS H 5.069 2.499 7.639 4.783 4.728 4.838 . 0 0 "[ . 1]" 1 2432 2 21 ILE H 2 24 LYS H 5.069 2.499 7.639 4.783 4.727 4.835 . 0 0 "[ . 1]" 1 2433 1 52 ALA HA 1 54 SER H 4.586 2.483 6.689 3.844 3.663 3.980 . 0 0 "[ . 1]" 1 2434 2 52 ALA HA 2 54 SER H 4.586 2.483 6.689 3.845 3.665 3.978 . 0 0 "[ . 1]" 1 2435 1 53 VAL HA 1 54 SER H 4.082 2.416 5.748 3.553 3.535 3.577 . 0 0 "[ . 1]" 1 2436 2 53 VAL HA 2 54 SER H 4.082 2.416 5.748 3.554 3.535 3.575 . 0 0 "[ . 1]" 1 2437 1 52 ALA MB 1 54 SER H 5.050 2.500 7.600 4.705 4.569 4.806 . 0 0 "[ . 1]" 1 2438 2 52 ALA MB 2 54 SER H 5.050 2.500 7.600 4.707 4.575 4.806 . 0 0 "[ . 1]" 1 2439 1 27 ILE H 1 27 ILE MD 4.005 2.401 5.609 4.739 4.696 4.781 . 0 0 "[ . 1]" 1 2440 2 27 ILE H 2 27 ILE MD 4.005 2.401 5.609 4.739 4.694 4.784 . 0 0 "[ . 1]" 1 2441 1 21 ILE MG 1 27 ILE H 2.948 2.079 3.817 3.205 3.019 3.441 . 0 0 "[ . 1]" 1 2442 2 21 ILE MG 2 27 ILE H 2.948 2.079 3.817 3.204 3.013 3.446 . 0 0 "[ . 1]" 1 2443 1 27 ILE H 1 27 ILE MG 2.139 . 2.597 2.231 2.166 2.310 . 0 0 "[ . 1]" 1 2444 2 27 ILE H 2 27 ILE MG 2.139 . 2.597 2.230 2.168 2.315 . 0 0 "[ . 1]" 1 2445 1 27 ILE H 1 27 ILE HB 2.794 2.013 3.575 3.133 3.072 3.194 . 0 0 "[ . 1]" 1 2446 2 27 ILE H 2 27 ILE HB 2.794 2.013 3.575 3.133 3.069 3.196 . 0 0 "[ . 1]" 1 2447 1 25 LYS HB3 1 27 ILE H 4.053 2.410 5.696 4.197 4.013 4.410 . 0 0 "[ . 1]" 1 2448 2 25 LYS HB3 2 27 ILE H 4.053 2.410 5.696 4.199 4.008 4.412 . 0 0 "[ . 1]" 1 2449 1 26 GLU HB2 1 27 ILE H 3.354 2.229 4.479 3.533 3.355 3.757 . 0 0 "[ . 1]" 1 2450 2 26 GLU HB2 2 27 ILE H 3.354 2.229 4.479 3.532 3.348 3.762 . 0 0 "[ . 1]" 1 2451 1 25 LYS HA 1 27 ILE H 2.721 . 3.462 2.908 2.828 2.971 . 0 0 "[ . 1]" 1 2452 2 25 LYS HA 2 27 ILE H 2.721 . 3.462 2.909 2.833 2.971 . 0 0 "[ . 1]" 1 2453 1 22 VAL HA 1 27 ILE H 3.702 2.332 5.072 3.998 3.698 4.298 . 0 0 "[ . 1]" 1 2454 2 22 VAL HA 2 27 ILE H 3.702 2.332 5.072 3.998 3.699 4.303 . 0 0 "[ . 1]" 1 2455 1 27 ILE H 2 7 LYS HE2 6.174 2.362 9.986 5.832 4.249 6.707 . 0 0 "[ . 1]" 1 2456 1 7 LYS HE2 2 27 ILE H 6.174 2.362 9.986 5.838 4.254 6.776 . 0 0 "[ . 1]" 1 2457 1 27 ILE H 1 27 ILE HA 2.579 . 3.244 2.933 2.922 2.939 . 0 0 "[ . 1]" 1 2458 2 27 ILE H 2 27 ILE HA 2.579 . 3.244 2.932 2.921 2.939 . 0 0 "[ . 1]" 1 2459 1 26 GLU HA 1 27 ILE H 2.833 2.030 3.636 3.264 3.143 3.370 . 0 0 "[ . 1]" 1 2460 2 26 GLU HA 2 27 ILE H 2.833 2.030 3.636 3.266 3.140 3.371 . 0 0 "[ . 1]" 1 2461 1 26 GLU H 1 27 ILE H 2.332 . 2.876 2.542 2.410 2.681 . 0 0 "[ . 1]" 1 2462 2 26 GLU H 2 27 ILE H 2.332 . 2.876 2.542 2.405 2.687 . 0 0 "[ . 1]" 1 2463 1 25 LYS H 1 27 ILE H 4.056 2.411 5.701 4.448 4.331 4.517 . 0 0 "[ . 1]" 1 2464 2 25 LYS H 2 27 ILE H 4.056 2.411 5.701 4.448 4.332 4.519 . 0 0 "[ . 1]" 1 2465 1 43 SER H 1 45 ALA H 4.520 2.477 6.563 4.028 3.885 4.172 . 0 0 "[ . 1]" 1 2466 2 43 SER H 2 45 ALA H 4.520 2.477 6.563 4.027 3.891 4.175 . 0 0 "[ . 1]" 1 2467 1 43 SER H 1 48 PHE QE 5.177 2.497 7.857 4.217 4.086 4.363 . 0 0 "[ . 1]" 1 2468 2 43 SER H 2 48 PHE QE 5.177 2.497 7.857 4.217 4.086 4.365 . 0 0 "[ . 1]" 1 2469 1 40 ASP HA 1 43 SER H 3.997 2.399 5.595 3.507 3.111 3.810 . 0 0 "[ . 1]" 1 2470 2 40 ASP HA 2 43 SER H 3.997 2.399 5.595 3.505 3.108 3.807 . 0 0 "[ . 1]" 1 2471 1 43 SER H 1 43 SER HB3 3.020 2.108 3.932 3.214 2.418 3.577 . 0 0 "[ . 1]" 1 2472 2 43 SER H 2 43 SER HB3 3.020 2.108 3.932 3.214 2.418 3.579 . 0 0 "[ . 1]" 1 2473 1 43 SER H 1 43 SER HB2 3.213 2.181 4.245 2.744 2.215 3.572 . 0 0 "[ . 1]" 1 2474 2 43 SER H 2 43 SER HB2 3.213 2.181 4.245 2.741 2.215 3.569 . 0 0 "[ . 1]" 1 2475 1 42 ILE HA 1 43 SER H 3.699 2.330 5.068 3.539 3.507 3.566 . 0 0 "[ . 1]" 1 2476 2 42 ILE HA 2 43 SER H 3.699 2.330 5.068 3.540 3.507 3.567 . 0 0 "[ . 1]" 1 2477 1 15 VAL QG 1 43 SER H 3.655 2.319 4.991 3.394 3.177 3.718 . 0 0 "[ . 1]" 1 2478 2 15 VAL QG 2 43 SER H 3.655 2.319 4.991 3.395 3.178 3.716 . 0 0 "[ . 1]" 1 2479 1 42 ILE MG 1 43 SER H 3.375 2.236 4.514 3.336 3.222 3.470 . 0 0 "[ . 1]" 1 2480 2 42 ILE MG 2 43 SER H 3.375 2.236 4.514 3.338 3.224 3.473 . 0 0 "[ . 1]" 1 2481 1 42 ILE HG12 1 43 SER H 5.722 2.447 8.997 4.926 4.903 4.957 . 0 0 "[ . 1]" 1 2482 2 42 ILE HG12 2 43 SER H 5.722 2.447 8.997 4.927 4.905 4.956 . 0 0 "[ . 1]" 1 2483 1 42 ILE HG13 1 43 SER H 4.435 2.468 6.402 4.150 4.088 4.196 . 0 0 "[ . 1]" 1 2484 2 42 ILE HG13 2 43 SER H 4.435 2.468 6.402 4.151 4.090 4.197 . 0 0 "[ . 1]" 1 2485 1 42 ILE HB 1 43 SER H 2.635 . 3.329 2.469 2.405 2.581 . 0 0 "[ . 1]" 1 2486 2 42 ILE HB 2 43 SER H 2.635 . 3.329 2.470 2.406 2.581 . 0 0 "[ . 1]" 1 2487 1 16 ASN HD22 1 53 VAL MG2 3.764 2.347 5.181 3.757 3.203 4.172 . 0 0 "[ . 1]" 1 2488 2 16 ASN HD22 2 53 VAL MG2 3.764 2.347 5.181 3.760 3.198 4.177 . 0 0 "[ . 1]" 1 2489 1 16 ASN HD22 1 57 LEU MD1 3.112 2.143 4.081 3.313 3.009 3.660 . 0 0 "[ . 1]" 1 2490 2 16 ASN HD22 2 57 LEU MD1 3.112 2.143 4.081 3.316 3.009 3.668 . 0 0 "[ . 1]" 1 2491 1 13 LEU MD2 1 16 ASN HD22 5.733 2.447 9.019 4.400 3.677 5.056 . 0 0 "[ . 1]" 1 2492 2 13 LEU MD2 2 16 ASN HD22 5.733 2.447 9.019 4.401 3.673 5.066 . 0 0 "[ . 1]" 1 2493 1 13 LEU HA 1 16 ASN HD22 5.109 2.499 7.719 5.174 4.679 5.623 . 0 0 "[ . 1]" 1 2494 2 13 LEU HA 2 16 ASN HD22 5.109 2.499 7.719 5.174 4.680 5.623 . 0 0 "[ . 1]" 1 2495 1 16 ASN HD22 1 72 ASN HA 4.457 2.470 6.444 4.138 2.975 5.015 . 0 0 "[ . 1]" 1 2496 2 16 ASN HD22 2 72 ASN HA 4.457 2.470 6.444 4.133 2.977 5.003 . 0 0 "[ . 1]" 1 2497 1 16 ASN HD22 1 17 TYR HA 5.535 2.472 8.598 5.467 5.020 5.937 . 0 0 "[ . 1]" 1 2498 2 16 ASN HD22 2 17 TYR HA 5.535 2.472 8.598 5.463 5.018 5.933 . 0 0 "[ . 1]" 1 2499 1 16 ASN HD21 1 72 ASN HA 4.321 2.454 6.188 4.468 3.147 5.724 . 0 0 "[ . 1]" 1 2500 2 16 ASN HD21 2 72 ASN HA 4.321 2.454 6.188 4.466 3.141 5.726 . 0 0 "[ . 1]" 1 2501 1 16 ASN HA 1 16 ASN HD21 3.372 2.235 4.509 4.453 4.412 4.497 . 0 0 "[ . 1]" 1 2502 2 16 ASN HA 2 16 ASN HD21 3.372 2.235 4.509 4.453 4.413 4.495 . 0 0 "[ . 1]" 1 2503 1 16 ASN HD21 1 17 TYR HA 5.263 2.493 8.033 5.070 4.732 5.387 . 0 0 "[ . 1]" 1 2504 2 16 ASN HD21 2 17 TYR HA 5.263 2.493 8.033 5.070 4.728 5.383 . 0 0 "[ . 1]" 1 2505 1 16 ASN HD21 1 54 SER HA 5.369 2.487 8.251 5.881 5.030 6.500 . 0 0 "[ . 1]" 1 2506 2 16 ASN HD21 2 54 SER HA 5.369 2.487 8.251 5.880 5.030 6.504 . 0 0 "[ . 1]" 1 2507 1 16 ASN HD21 1 57 LEU MD1 2.886 2.053 3.719 2.424 2.047 2.850 0.006 8 0 "[ . 1]" 1 2508 2 16 ASN HD21 2 57 LEU MD1 2.886 2.053 3.719 2.425 2.047 2.853 0.006 8 0 "[ . 1]" 1 2509 1 13 LEU MD2 1 16 ASN HD21 4.252 2.444 6.060 3.065 2.405 3.665 0.039 9 0 "[ . 1]" 1 2510 2 13 LEU MD2 2 16 ASN HD21 4.252 2.444 6.060 3.067 2.404 3.671 0.040 9 0 "[ . 1]" 1 2511 1 22 VAL MG1 1 36 ASN HD22 2.867 2.045 3.689 2.798 2.677 2.938 . 0 0 "[ . 1]" 1 2512 2 22 VAL MG1 2 36 ASN HD22 2.867 2.045 3.689 2.794 2.685 2.926 . 0 0 "[ . 1]" 1 2513 1 22 VAL MG1 1 36 ASN HD21 2.980 2.092 3.868 2.964 2.719 3.142 . 0 0 "[ . 1]" 1 2514 2 22 VAL MG1 2 36 ASN HD21 2.980 2.092 3.868 2.961 2.713 3.141 . 0 0 "[ . 1]" 1 2515 1 22 VAL HB 1 36 ASN HD22 4.216 2.439 5.993 3.120 2.484 3.542 . 0 0 "[ . 1]" 1 2516 2 22 VAL HB 2 36 ASN HD22 4.216 2.439 5.993 3.116 2.478 3.544 . 0 0 "[ . 1]" 1 2517 1 36 ASN HD22 1 39 MET ME 4.586 2.483 6.689 3.875 3.705 3.942 . 0 0 "[ . 1]" 1 2518 2 36 ASN HD22 2 39 MET ME 4.586 2.483 6.689 3.869 3.701 3.935 . 0 0 "[ . 1]" 1 2519 1 22 VAL HB 1 36 ASN HD21 5.190 2.496 7.884 4.175 3.506 4.620 . 0 0 "[ . 1]" 1 2520 2 22 VAL HB 2 36 ASN HD21 5.190 2.496 7.884 4.170 3.498 4.612 . 0 0 "[ . 1]" 1 2521 1 33 ASP QB 1 36 ASN HD22 6.730 2.200 11.260 5.375 5.101 5.870 . 0 0 "[ . 1]" 1 2522 2 33 ASP QB 2 36 ASN HD22 6.730 2.200 11.260 5.380 5.105 5.872 . 0 0 "[ . 1]" 1 2523 1 36 ASN HB2 1 36 ASN HD21 2.385 . 2.954 2.256 2.244 2.271 . 0 0 "[ . 1]" 1 2524 2 36 ASN HB2 2 36 ASN HD21 2.385 . 2.954 2.255 2.240 2.268 . 0 0 "[ . 1]" 1 2525 1 33 ASP HA 1 36 ASN HD21 2.919 2.067 3.771 2.361 2.146 2.685 . 0 0 "[ . 1]" 1 2526 2 33 ASP HA 2 36 ASN HD21 2.919 2.067 3.771 2.365 2.151 2.686 . 0 0 "[ . 1]" 1 2527 1 55 GLY H 1 56 ILE H 2.821 2.025 3.617 2.878 2.827 2.948 . 0 0 "[ . 1]" 1 2528 2 55 GLY H 2 56 ILE H 2.821 2.025 3.617 2.876 2.828 2.942 . 0 0 "[ . 1]" 1 2529 1 54 SER H 1 55 GLY H 3.468 2.265 4.671 2.800 2.735 2.929 . 0 0 "[ . 1]" 1 2530 2 54 SER H 2 55 GLY H 3.468 2.265 4.671 2.799 2.727 2.932 . 0 0 "[ . 1]" 1 2531 1 53 VAL H 1 55 GLY H 5.426 2.482 8.370 4.684 4.576 4.915 . 0 0 "[ . 1]" 1 2532 2 53 VAL H 2 55 GLY H 5.426 2.482 8.370 4.682 4.571 4.921 . 0 0 "[ . 1]" 1 2533 1 52 ALA HA 1 55 GLY H 3.842 2.366 5.318 3.565 3.362 3.734 . 0 0 "[ . 1]" 1 2534 2 52 ALA HA 2 55 GLY H 3.842 2.366 5.318 3.564 3.360 3.731 . 0 0 "[ . 1]" 1 2535 1 55 GLY H 1 55 GLY HA2 2.396 . 2.970 2.764 2.744 2.782 . 0 0 "[ . 1]" 1 2536 2 55 GLY H 2 55 GLY HA2 2.396 . 2.970 2.764 2.743 2.782 . 0 0 "[ . 1]" 1 2537 1 55 GLY H 1 56 ILE HA 5.742 2.445 9.039 5.447 5.410 5.508 . 0 0 "[ . 1]" 1 2538 2 55 GLY H 2 56 ILE HA 5.742 2.445 9.039 5.447 5.408 5.504 . 0 0 "[ . 1]" 1 2539 1 53 VAL HA 1 55 GLY H 4.923 2.500 7.346 4.736 4.598 4.882 . 0 0 "[ . 1]" 1 2540 2 53 VAL HA 2 55 GLY H 4.923 2.500 7.346 4.733 4.591 4.881 . 0 0 "[ . 1]" 1 2541 1 53 VAL MG1 1 55 GLY H 5.445 2.480 8.410 5.772 5.680 5.922 . 0 0 "[ . 1]" 1 2542 2 53 VAL MG1 2 55 GLY H 5.445 2.480 8.410 5.770 5.674 5.919 . 0 0 "[ . 1]" 1 2543 1 53 VAL MG2 1 55 GLY H 5.804 2.436 9.172 4.442 4.314 4.658 . 0 0 "[ . 1]" 1 2544 2 53 VAL MG2 2 55 GLY H 5.804 2.436 9.172 4.441 4.316 4.662 . 0 0 "[ . 1]" 1 2545 1 55 GLY H 1 56 ILE MD 5.936 2.412 9.460 5.416 5.340 5.493 . 0 0 "[ . 1]" 1 2546 2 55 GLY H 2 56 ILE MD 5.936 2.412 9.460 5.414 5.334 5.497 . 0 0 "[ . 1]" 1 2547 1 72 ASN HB3 1 72 ASN HD21 3.400 2.244 4.556 3.164 2.164 3.500 0.080 6 0 "[ . 1]" 1 2548 2 72 ASN HB3 2 72 ASN HD21 3.400 2.244 4.556 3.163 2.163 3.500 0.081 6 0 "[ . 1]" 1 2549 1 72 ASN HB2 1 72 ASN HD21 2.361 . 2.919 2.420 2.142 3.438 0.519 8 1 "[ . + 1]" 1 2550 2 72 ASN HB2 2 72 ASN HD21 2.361 . 2.919 2.420 2.144 3.434 0.515 8 1 "[ . + 1]" 1 2551 1 72 ASN HD21 1 73 SER HA 3.902 2.380 5.424 4.436 3.841 5.474 0.050 6 0 "[ . 1]" 1 2552 2 72 ASN HD21 2 73 SER HA 3.902 2.380 5.424 4.438 3.845 5.476 0.052 6 0 "[ . 1]" 1 2553 1 13 LEU HA 1 72 ASN HD21 4.464 2.472 6.456 4.283 2.545 6.520 0.064 9 0 "[ . 1]" 1 2554 2 13 LEU HA 2 72 ASN HD21 4.464 2.472 6.456 4.280 2.544 6.516 0.060 9 0 "[ . 1]" 1 2555 1 72 ASN HA 1 72 ASN HD21 4.946 2.500 7.392 4.029 2.914 4.507 . 0 0 "[ . 1]" 1 2556 2 72 ASN HA 2 72 ASN HD21 4.946 2.500 7.392 4.030 2.917 4.511 . 0 0 "[ . 1]" 1 2557 1 72 ASN H 1 72 ASN HD22 5.570 2.467 8.673 4.668 3.994 5.836 . 0 0 "[ . 1]" 1 2558 2 72 ASN H 2 72 ASN HD22 5.570 2.467 8.673 4.668 3.997 5.836 . 0 0 "[ . 1]" 1 2559 1 72 ASN H 1 72 ASN HD21 4.159 2.430 5.888 4.377 4.022 4.942 . 0 0 "[ . 1]" 1 2560 2 72 ASN H 2 72 ASN HD21 4.159 2.430 5.888 4.378 4.029 4.946 . 0 0 "[ . 1]" 1 2561 1 72 ASN HB2 1 72 ASN HD22 3.441 2.257 4.625 3.566 3.440 4.033 . 0 0 "[ . 1]" 1 2562 2 72 ASN HB2 2 72 ASN HD22 3.441 2.257 4.625 3.566 3.440 4.027 . 0 0 "[ . 1]" 1 2563 1 13 LEU HA 1 72 ASN HD22 4.408 2.465 6.351 4.372 2.732 5.580 . 0 0 "[ . 1]" 1 2564 2 13 LEU HA 2 72 ASN HD22 4.408 2.465 6.351 4.370 2.733 5.578 . 0 0 "[ . 1]" 1 2565 1 65 GLN HE21 1 65 GLN QG 2.740 2.314 3.491 2.358 2.144 2.788 0.170 4 0 "[ . 1]" 1 2566 2 65 GLN HE21 2 65 GLN QG 2.740 2.314 3.491 2.356 2.144 2.786 0.170 4 0 "[ . 1]" 1 2567 1 65 GLN QB 1 65 GLN HE22 4.438 2.469 6.407 3.837 3.190 4.481 . 0 0 "[ . 1]" 1 2568 2 65 GLN QB 2 65 GLN HE22 4.438 2.469 6.407 3.838 3.189 4.481 . 0 0 "[ . 1]" 1 2569 1 65 GLN QB 1 65 GLN HE21 5.029 2.500 7.558 3.116 1.771 4.002 0.729 2 3 "[ + - * 1]" 1 2570 2 65 GLN QB 2 65 GLN HE21 5.029 2.500 7.558 3.116 1.772 4.002 0.728 2 3 "[ + - * 1]" 1 2571 1 62 PHE HA 1 65 GLN HE22 5.885 2.422 9.348 6.417 4.262 8.179 . 0 0 "[ . 1]" 1 2572 2 62 PHE HA 2 65 GLN HE22 5.885 2.422 9.348 6.418 4.275 8.155 . 0 0 "[ . 1]" 1 2573 1 62 PHE HA 1 65 GLN HE21 4.467 2.472 6.462 5.639 4.696 6.514 0.052 10 0 "[ . 1]" 1 2574 2 62 PHE HA 2 65 GLN HE21 4.467 2.472 6.462 5.637 4.704 6.499 0.037 10 0 "[ . 1]" 1 2575 1 65 GLN HE21 1 70 ILE MD 4.467 2.472 6.462 4.749 2.776 6.480 0.018 3 0 "[ . 1]" 1 2576 2 65 GLN HE21 2 70 ILE MD 4.467 2.472 6.462 4.748 2.761 6.481 0.019 3 0 "[ . 1]" 1 2577 1 27 ILE MD 1 31 GLY H 4.386 2.462 6.310 4.139 3.974 4.267 . 0 0 "[ . 1]" 1 2578 2 27 ILE MD 2 31 GLY H 4.386 2.462 6.310 4.140 3.974 4.264 . 0 0 "[ . 1]" 1 2579 1 27 ILE HG12 1 31 GLY H 3.373 2.236 4.510 3.702 3.522 3.838 . 0 0 "[ . 1]" 1 2580 2 27 ILE HG12 2 31 GLY H 3.373 2.236 4.510 3.705 3.524 3.849 . 0 0 "[ . 1]" 1 2581 1 27 ILE MG 1 31 GLY H 4.312 2.452 6.172 4.531 4.444 4.694 . 0 0 "[ . 1]" 1 2582 2 27 ILE MG 2 31 GLY H 4.312 2.452 6.172 4.536 4.457 4.697 . 0 0 "[ . 1]" 1 2583 1 29 GLU HB2 1 31 GLY H 5.111 2.499 7.723 5.068 4.750 5.794 . 0 0 "[ . 1]" 1 2584 2 29 GLU HB2 2 31 GLY H 5.111 2.499 7.723 5.072 4.753 5.810 . 0 0 "[ . 1]" 1 2585 1 31 GLY H 1 33 ASP QB 5.032 2.500 7.564 5.062 4.970 5.200 . 0 0 "[ . 1]" 1 2586 2 31 GLY H 2 33 ASP QB 5.032 2.500 7.564 5.066 4.976 5.203 . 0 0 "[ . 1]" 1 2587 1 30 ASP HB3 1 31 GLY H 2.954 2.081 3.827 2.765 2.405 3.896 0.069 7 0 "[ . 1]" 1 2588 2 30 ASP HB3 2 31 GLY H 2.954 2.081 3.827 2.760 2.393 3.900 0.073 7 0 "[ . 1]" 1 2589 1 30 ASP HB2 1 31 GLY H 3.001 2.100 3.902 3.677 2.607 3.945 0.043 4 0 "[ . 1]" 1 2590 2 30 ASP HB2 2 31 GLY H 3.001 2.100 3.902 3.673 2.601 3.940 0.038 4 0 "[ . 1]" 1 2591 1 29 GLU HA 1 31 GLY H 3.982 2.396 5.568 4.514 4.367 4.673 . 0 0 "[ . 1]" 1 2592 2 29 GLU HA 2 31 GLY H 3.982 2.396 5.568 4.519 4.358 4.672 . 0 0 "[ . 1]" 1 2593 1 31 GLY H 2 45 ALA HA 4.834 2.497 7.171 4.754 4.521 4.954 . 0 0 "[ . 1]" 1 2594 1 45 ALA HA 2 31 GLY H 4.834 2.497 7.171 4.755 4.591 4.946 . 0 0 "[ . 1]" 1 2595 1 31 GLY H 1 31 GLY HA2 2.681 . 3.400 2.823 2.806 2.837 . 0 0 "[ . 1]" 1 2596 2 31 GLY H 2 31 GLY HA2 2.681 . 3.400 2.821 2.807 2.838 . 0 0 "[ . 1]" 1 2597 1 31 GLY H 1 31 GLY HA3 2.143 . 2.602 2.294 2.291 2.299 . 0 0 "[ . 1]" 1 2598 2 31 GLY H 2 31 GLY HA3 2.143 . 2.602 2.294 2.289 2.301 . 0 0 "[ . 1]" 1 2599 1 30 ASP HA 1 31 GLY H 3.445 2.258 4.632 3.529 3.513 3.546 . 0 0 "[ . 1]" 1 2600 2 30 ASP HA 2 31 GLY H 3.445 2.258 4.632 3.530 3.512 3.545 . 0 0 "[ . 1]" 1 2601 1 30 ASP H 1 31 GLY H 2.443 . 3.040 2.633 2.526 2.717 . 0 0 "[ . 1]" 1 2602 2 30 ASP H 2 31 GLY H 2.443 . 3.040 2.634 2.521 2.716 . 0 0 "[ . 1]" 1 2603 1 31 GLY H 1 32 ALA H 2.476 . 3.089 2.683 2.618 2.771 . 0 0 "[ . 1]" 1 2604 2 31 GLY H 2 32 ALA H 2.476 . 3.089 2.689 2.612 2.778 . 0 0 "[ . 1]" 1 2605 1 73 SER HB2 1 74 ALA H 5.683 2.454 8.912 3.493 2.152 4.475 0.302 7 0 "[ . 1]" 1 2606 2 73 SER HB2 2 74 ALA H 5.683 2.454 8.912 3.493 2.150 4.479 0.304 7 0 "[ . 1]" 1 2607 1 42 ILE HA 1 46 PHE H 3.995 2.399 5.591 4.413 4.157 4.586 . 0 0 "[ . 1]" 1 2608 2 42 ILE HA 2 46 PHE H 3.995 2.399 5.591 4.414 4.158 4.584 . 0 0 "[ . 1]" 1 2609 1 46 PHE H 1 46 PHE HB3 3.877 2.374 5.380 3.670 3.635 3.717 . 0 0 "[ . 1]" 1 2610 2 46 PHE H 2 46 PHE HB3 3.877 2.374 5.380 3.670 3.636 3.718 . 0 0 "[ . 1]" 1 2611 1 46 PHE H 1 47 GLY HA3 5.611 2.463 8.759 4.969 4.843 5.035 . 0 0 "[ . 1]" 1 2612 2 46 PHE H 2 47 GLY HA3 5.611 2.463 8.759 4.966 4.838 5.036 . 0 0 "[ . 1]" 1 2613 1 45 ALA HA 1 46 PHE H 3.321 2.218 4.424 3.568 3.546 3.577 . 0 0 "[ . 1]" 1 2614 2 45 ALA HA 2 46 PHE H 3.321 2.218 4.424 3.568 3.545 3.578 . 0 0 "[ . 1]" 1 2615 1 46 PHE H 1 48 PHE QE 3.820 2.361 5.279 3.274 3.158 3.348 . 0 0 "[ . 1]" 1 2616 2 46 PHE H 2 48 PHE QE 3.820 2.361 5.279 3.274 3.155 3.347 . 0 0 "[ . 1]" 1 2617 1 45 ALA H 1 46 PHE H 2.687 . 3.409 2.771 2.508 2.939 . 0 0 "[ . 1]" 1 2618 2 45 ALA H 2 46 PHE H 2.687 . 3.409 2.768 2.506 2.935 . 0 0 "[ . 1]" 1 2619 1 44 GLU HB3 1 46 PHE H 5.468 2.478 8.458 5.327 5.124 5.473 . 0 0 "[ . 1]" 1 2620 2 44 GLU HB3 2 46 PHE H 5.468 2.478 8.458 5.325 5.124 5.469 . 0 0 "[ . 1]" 1 2621 1 46 PHE H 1 46 PHE HB2 2.579 . 3.244 2.491 2.420 2.544 . 0 0 "[ . 1]" 1 2622 2 46 PHE H 2 46 PHE HB2 2.579 . 3.244 2.491 2.420 2.546 . 0 0 "[ . 1]" 1 2623 1 43 SER HA 1 46 PHE H 3.822 2.361 5.283 3.719 3.414 3.923 . 0 0 "[ . 1]" 1 2624 2 43 SER HA 2 46 PHE H 3.822 2.361 5.283 3.716 3.416 3.918 . 0 0 "[ . 1]" 1 2625 1 45 ALA MB 1 46 PHE H 2.359 . 2.916 2.412 2.321 2.620 . 0 0 "[ . 1]" 1 2626 2 45 ALA MB 2 46 PHE H 2.359 . 2.916 2.413 2.322 2.621 . 0 0 "[ . 1]" 1 2627 1 46 PHE H 2 27 ILE MD 3.898 2.378 5.418 4.121 3.750 4.417 . 0 0 "[ . 1]" 1 2628 1 27 ILE MD 2 46 PHE H 3.898 2.378 5.418 4.115 3.756 4.419 . 0 0 "[ . 1]" 1 2629 1 44 GLU HG2 1 47 GLY H 5.218 2.495 7.941 6.162 4.903 7.183 . 0 0 "[ . 1]" 1 2630 2 44 GLU HG2 2 47 GLY H 5.218 2.495 7.941 6.163 4.897 7.183 . 0 0 "[ . 1]" 1 2631 1 44 GLU HB3 1 47 GLY H 5.468 2.478 8.458 5.465 5.295 5.786 . 0 0 "[ . 1]" 1 2632 2 44 GLU HB3 2 47 GLY H 5.468 2.478 8.458 5.466 5.291 5.781 . 0 0 "[ . 1]" 1 2633 1 46 PHE HB2 1 47 GLY H 3.798 2.356 5.240 3.427 3.322 3.505 . 0 0 "[ . 1]" 1 2634 2 46 PHE HB2 2 47 GLY H 3.798 2.356 5.240 3.425 3.321 3.502 . 0 0 "[ . 1]" 1 2635 1 43 SER HA 1 47 GLY H 4.168 2.431 5.905 4.105 3.660 4.475 . 0 0 "[ . 1]" 1 2636 2 43 SER HA 2 47 GLY H 4.168 2.431 5.905 4.104 3.656 4.481 . 0 0 "[ . 1]" 1 2637 1 46 PHE HB3 1 47 GLY H 4.638 2.487 6.789 4.194 4.123 4.233 . 0 0 "[ . 1]" 1 2638 2 46 PHE HB3 2 47 GLY H 4.638 2.487 6.789 4.192 4.120 4.228 . 0 0 "[ . 1]" 1 2639 1 47 GLY H 1 47 GLY HA3 2.630 . 3.322 2.839 2.821 2.856 . 0 0 "[ . 1]" 1 2640 2 47 GLY H 2 47 GLY HA3 2.630 . 3.322 2.838 2.820 2.854 . 0 0 "[ . 1]" 1 2641 1 47 GLY H 1 47 GLY HA2 2.508 . 3.137 2.293 2.288 2.301 . 0 0 "[ . 1]" 1 2642 2 47 GLY H 2 47 GLY HA2 2.508 . 3.137 2.293 2.288 2.299 . 0 0 "[ . 1]" 1 2643 1 47 GLY H 1 48 PHE HA 5.386 2.485 8.287 5.303 5.242 5.339 . 0 0 "[ . 1]" 1 2644 2 47 GLY H 2 48 PHE HA 5.386 2.485 8.287 5.304 5.245 5.342 . 0 0 "[ . 1]" 1 2645 1 46 PHE HA 1 47 GLY H 3.373 2.235 4.511 3.315 3.269 3.371 . 0 0 "[ . 1]" 1 2646 2 46 PHE HA 2 47 GLY H 3.373 2.235 4.511 3.314 3.268 3.371 . 0 0 "[ . 1]" 1 2647 1 47 GLY H 1 48 PHE QD 5.060 2.499 7.621 3.216 3.056 3.335 . 0 0 "[ . 1]" 1 2648 2 47 GLY H 2 48 PHE QD 5.060 2.499 7.621 3.215 3.053 3.341 . 0 0 "[ . 1]" 1 2649 1 46 PHE H 1 47 GLY H 2.418 . 3.003 2.291 2.137 2.374 . 0 0 "[ . 1]" 1 2650 2 46 PHE H 2 47 GLY H 2.418 . 3.003 2.288 2.133 2.367 . 0 0 "[ . 1]" 1 2651 1 47 GLY H 1 48 PHE H 2.730 . 3.475 2.770 2.681 2.832 . 0 0 "[ . 1]" 1 2652 2 47 GLY H 2 48 PHE H 2.730 . 3.475 2.770 2.683 2.829 . 0 0 "[ . 1]" 1 2653 1 45 ALA H 1 47 GLY H 3.840 2.365 5.315 3.759 3.643 3.830 . 0 0 "[ . 1]" 1 2654 2 45 ALA H 2 47 GLY H 3.840 2.365 5.315 3.757 3.637 3.824 . 0 0 "[ . 1]" 1 2655 1 45 ALA MB 1 47 GLY H 4.078 2.415 5.741 4.160 4.060 4.345 . 0 0 "[ . 1]" 1 2656 2 45 ALA MB 2 47 GLY H 4.078 2.415 5.741 4.159 4.060 4.343 . 0 0 "[ . 1]" 1 2657 1 47 GLY H 2 27 ILE MD 5.222 2.495 7.949 5.377 4.906 5.733 . 0 0 "[ . 1]" 1 2658 1 27 ILE MD 2 47 GLY H 5.222 2.495 7.949 5.366 4.912 5.735 . 0 0 "[ . 1]" 1 2659 1 65 GLN QB 1 70 ILE H 7.113 2.054 12.172 6.099 4.525 8.391 . 0 0 "[ . 1]" 1 2660 2 65 GLN QB 2 70 ILE H 7.113 2.054 12.172 6.097 4.529 8.385 . 0 0 "[ . 1]" 1 2661 1 65 GLN H 1 66 HIS H 3.868 2.372 5.364 4.392 3.454 4.636 . 0 0 "[ . 1]" 1 2662 2 65 GLN H 2 66 HIS H 3.868 2.372 5.364 4.392 3.451 4.638 . 0 0 "[ . 1]" 1 2663 1 60 SER H 1 62 PHE QE 6.199 2.356 10.042 5.901 4.091 7.877 . 0 0 "[ . 1]" 1 2664 2 60 SER H 2 62 PHE QE 6.199 2.356 10.042 5.901 4.090 7.874 . 0 0 "[ . 1]" 1 2665 1 65 GLN H 1 65 GLN HE21 3.853 2.369 5.337 4.225 3.723 5.095 . 0 0 "[ . 1]" 1 2666 2 65 GLN H 2 65 GLN HE21 3.853 2.369 5.337 4.223 3.728 5.096 . 0 0 "[ . 1]" 1 2667 1 65 GLN H 1 65 GLN HE22 6.022 2.395 9.649 5.351 4.184 6.441 . 0 0 "[ . 1]" 1 2668 2 65 GLN H 2 65 GLN HE22 6.022 2.395 9.649 5.354 4.185 6.441 . 0 0 "[ . 1]" 1 2669 1 61 GLU HB3 1 62 PHE H 4.493 2.474 6.512 3.911 3.233 4.418 . 0 0 "[ . 1]" 1 2670 2 61 GLU HB3 2 62 PHE H 4.493 2.474 6.512 3.910 3.231 4.419 . 0 0 "[ . 1]" 1 2671 1 59 LYS HA 1 60 SER H 4.167 2.430 5.904 3.367 3.181 3.482 . 0 0 "[ . 1]" 1 2672 2 59 LYS HA 2 60 SER H 4.167 2.430 5.904 3.367 3.182 3.481 . 0 0 "[ . 1]" 1 2673 1 59 LYS HB3 1 60 SER H 4.080 2.416 5.744 3.684 2.953 4.451 . 0 0 "[ . 1]" 1 2674 2 59 LYS HB3 2 60 SER H 4.080 2.416 5.744 3.680 2.956 4.450 . 0 0 "[ . 1]" 1 2675 1 59 LYS HB2 1 60 SER H 4.848 2.497 7.199 3.912 2.906 4.395 . 0 0 "[ . 1]" 1 2676 2 59 LYS HB2 2 60 SER H 4.848 2.497 7.199 3.910 2.908 4.390 . 0 0 "[ . 1]" 1 2677 1 17 TYR H 1 72 ASN HD21 5.419 2.482 8.356 4.543 2.751 6.499 . 0 0 "[ . 1]" 1 2678 2 17 TYR H 2 72 ASN HD21 5.419 2.482 8.356 4.541 2.750 6.503 . 0 0 "[ . 1]" 1 2679 1 46 PHE QD 1 46 PHE HZ 3.740 2.341 5.139 3.011 2.840 3.202 . 0 0 "[ . 1]" 1 2680 1 35 LEU MD2 2 46 PHE HZ 3.740 2.341 5.139 3.014 2.842 3.226 . 0 0 "[ . 1]" 1 2681 1 11 ALA MB 1 48 PHE HZ 2.561 . 3.217 2.223 2.087 2.393 . 0 0 "[ . 1]" 1 2682 2 11 ALA MB 2 48 PHE HZ 2.561 . 3.217 2.223 2.091 2.393 . 0 0 "[ . 1]" 1 2683 1 11 ALA MB 1 46 PHE HZ 3.577 2.298 4.856 3.562 3.334 3.756 . 0 0 "[ . 1]" 1 2684 2 11 ALA MB 2 46 PHE HZ 3.577 2.298 4.856 3.563 3.335 3.758 . 0 0 "[ . 1]" 1 2685 1 11 ALA MB 1 46 PHE QD 2.829 2.029 3.629 2.334 2.242 2.435 . 0 0 "[ . 1]" 1 2686 2 11 ALA MB 2 46 PHE QD 2.829 2.029 3.629 2.334 2.240 2.435 . 0 0 "[ . 1]" 1 2687 1 46 PHE QD 2 21 ILE MD 4.541 2.479 6.603 4.772 4.347 5.236 . 0 0 "[ . 1]" 1 2688 1 21 ILE MD 2 46 PHE QD 4.541 2.479 6.603 4.764 4.354 5.210 . 0 0 "[ . 1]" 1 2689 1 7 LYS HB3 1 46 PHE QD 4.252 2.444 6.060 4.579 3.945 5.071 . 0 0 "[ . 1]" 1 2690 2 7 LYS HB3 2 46 PHE QD 4.252 2.444 6.060 4.578 3.944 5.067 . 0 0 "[ . 1]" 1 2691 1 7 LYS HE2 1 46 PHE QD 4.113 2.421 5.805 3.453 2.954 3.876 . 0 0 "[ . 1]" 1 2692 2 7 LYS HE2 2 46 PHE QD 4.113 2.421 5.805 3.452 2.954 3.876 . 0 0 "[ . 1]" 1 2693 1 15 VAL HA 1 18 PHE QD 3.919 2.383 5.455 2.365 2.309 2.451 0.074 2 0 "[ . 1]" 1 2694 2 15 VAL HA 2 18 PHE QD 3.919 2.383 5.455 2.365 2.308 2.453 0.075 2 0 "[ . 1]" 1 2695 1 8 GLU HA 1 48 PHE QD 4.378 2.461 6.295 4.880 4.632 5.125 . 0 0 "[ . 1]" 1 2696 2 8 GLU HA 2 48 PHE QD 4.378 2.461 6.295 4.879 4.630 5.123 . 0 0 "[ . 1]" 1 2697 1 8 GLU HA 1 48 PHE QE 3.785 2.352 5.218 4.385 4.243 4.564 . 0 0 "[ . 1]" 1 2698 2 8 GLU HA 2 48 PHE QE 3.785 2.352 5.218 4.385 4.241 4.564 . 0 0 "[ . 1]" 1 2699 1 14 ILE MG 1 17 TYR QD 4.161 2.430 5.892 3.604 3.383 3.727 . 0 0 "[ . 1]" 1 2700 2 14 ILE MG 2 17 TYR QD 4.161 2.430 5.892 3.605 3.385 3.728 . 0 0 "[ . 1]" 1 2701 1 17 TYR QE 1 18 PHE QD 4.319 2.454 6.184 3.700 3.125 4.325 . 0 0 "[ . 1]" 1 2702 1 46 PHE HZ 2 17 TYR QE 4.319 2.454 6.184 3.703 3.131 4.312 . 0 0 "[ . 1]" 1 2703 1 10 ILE HA 1 62 PHE QE 4.431 2.467 6.395 3.493 2.455 4.026 0.012 4 0 "[ . 1]" 1 2704 2 10 ILE HA 2 62 PHE QE 4.431 2.467 6.395 3.493 2.454 4.028 0.013 4 0 "[ . 1]" 1 2705 1 11 ALA MB 1 48 PHE QD 4.212 2.438 5.986 3.772 3.600 3.877 . 0 0 "[ . 1]" 1 2706 2 11 ALA MB 2 48 PHE QD 4.212 2.438 5.986 3.772 3.599 3.876 . 0 0 "[ . 1]" 1 2707 1 10 ILE QG 1 62 PHE QE 4.653 2.488 6.818 3.161 2.262 4.135 0.226 8 0 "[ . 1]" 1 2708 1 70 ILE MD 2 62 PHE QE 4.653 2.488 6.818 3.161 2.260 4.132 0.228 8 0 "[ . 1]" 1 2709 1 62 PHE QD 1 70 ILE MD 4.541 2.479 6.603 4.821 3.714 6.731 0.128 4 0 "[ . 1]" 1 2710 1 70 ILE MD 2 62 PHE QD 4.541 2.479 6.603 4.821 3.714 6.731 0.128 4 0 "[ . 1]" 1 2711 1 14 ILE MG 1 18 PHE QE 3.413 . 6.000 2.082 2.064 2.113 . 0 0 "[ . 1]" 1 2712 1 14 ILE MG 2 18 PHE QE 3.413 . 6.000 2.081 2.052 2.113 . 0 0 "[ . 1]" 1 2713 1 18 PHE QE 1 42 ILE MD 3.528 2.283 4.773 2.274 2.242 2.315 0.041 4 0 "[ . 1]" 1 2714 1 42 ILE MD 2 18 PHE QE 3.528 2.283 4.773 2.276 2.254 2.307 0.029 4 0 "[ . 1]" 1 2715 1 15 VAL HA 1 18 PHE QE 4.615 2.485 6.745 3.985 3.902 4.084 . 0 0 "[ . 1]" 1 2716 2 15 VAL HA 2 18 PHE QE 4.615 2.485 6.745 3.986 3.902 4.087 . 0 0 "[ . 1]" 1 2717 1 18 PHE HB2 1 18 PHE QE 4.721 2.492 6.950 4.090 4.028 4.133 . 0 0 "[ . 1]" 1 2718 2 18 PHE HB2 2 18 PHE QE 4.721 2.492 6.950 4.091 4.027 4.133 . 0 0 "[ . 1]" 1 2719 1 17 TYR QR 1 18 PHE QE 4.512 2.476 6.548 3.237 2.569 3.851 . 0 0 "[ . 1]" 1 2720 2 17 TYR QR 2 18 PHE QE 4.512 2.476 6.548 3.236 2.570 3.848 . 0 0 "[ . 1]" 1 2721 1 18 PHE HZ 2 42 ILE MD 3.205 2.177 4.233 2.139 2.100 2.162 0.077 2 0 "[ . 1]" 1 2722 1 42 ILE MD 2 18 PHE HZ 3.205 2.177 4.233 2.143 2.108 2.164 0.069 2 0 "[ . 1]" 1 2723 1 8 GLU HB2 1 48 PHE QD 5.246 2.494 7.998 4.912 4.797 5.028 . 0 0 "[ . 1]" 1 2724 2 8 GLU HB2 2 48 PHE QD 5.246 2.494 7.998 4.911 4.796 5.027 . 0 0 "[ . 1]" 1 2725 1 73 SER H 1 73 SER HA 2.422 . 3.009 2.406 2.065 2.733 . 0 0 "[ . 1]" 1 2726 2 73 SER H 2 73 SER HA 2.422 . 3.009 2.407 2.066 2.735 . 0 0 "[ . 1]" 1 2727 1 18 PHE HA 1 21 ILE H 2.827 2.028 3.626 2.664 2.629 2.712 . 0 0 "[ . 1]" 1 2728 2 18 PHE HA 2 21 ILE H 2.827 2.028 3.626 2.664 2.626 2.713 . 0 0 "[ . 1]" 1 2729 1 18 PHE HA 1 22 VAL H 3.614 2.308 4.920 3.281 3.252 3.342 . 0 0 "[ . 1]" 1 2730 2 18 PHE HA 2 22 VAL H 3.614 2.308 4.920 3.282 3.253 3.341 . 0 0 "[ . 1]" 1 2731 1 11 ALA HA 1 48 PHE QE 3.777 2.350 5.204 4.426 4.313 4.492 . 0 0 "[ . 1]" 1 2732 1 18 PHE QD 2 11 ALA HA 3.777 2.350 5.204 4.426 4.318 4.486 . 0 0 "[ . 1]" 1 2733 1 26 GLU H 1 27 ILE HB 3.839 2.366 5.312 3.832 3.786 3.898 . 0 0 "[ . 1]" 1 2734 2 26 GLU H 2 27 ILE HB 3.839 2.366 5.312 3.831 3.783 3.899 . 0 0 "[ . 1]" 1 2735 1 57 LEU H 1 57 LEU HB2 3.850 2.368 5.332 2.323 2.236 2.438 0.132 1 0 "[ . 1]" 1 2736 2 57 LEU H 2 57 LEU HB2 3.850 2.368 5.332 2.323 2.238 2.438 0.130 1 0 "[ . 1]" 1 2737 1 8 GLU HG3 1 9 GLU H 4.897 2.499 7.295 4.102 3.291 4.509 . 0 0 "[ . 1]" 1 2738 2 8 GLU HG3 2 9 GLU H 4.897 2.499 7.295 4.101 3.285 4.515 . 0 0 "[ . 1]" 1 2739 1 18 PHE HB3 1 19 SER H 4.320 2.454 6.186 3.110 2.878 3.213 . 0 0 "[ . 1]" 1 2740 2 18 PHE HB3 2 19 SER H 4.320 2.454 6.186 3.111 2.880 3.213 . 0 0 "[ . 1]" 1 2741 1 18 PHE H 1 18 PHE HB3 4.305 2.452 6.158 3.080 2.854 3.171 . 0 0 "[ . 1]" 1 2742 2 18 PHE H 2 18 PHE HB3 4.305 2.452 6.158 3.080 2.856 3.172 . 0 0 "[ . 1]" 1 2743 1 12 ALA H 1 53 VAL MG1 4.598 2.484 6.712 4.235 4.160 4.308 . 0 0 "[ . 1]" 1 2744 2 12 ALA H 2 53 VAL MG1 4.598 2.484 6.712 4.236 4.159 4.310 . 0 0 "[ . 1]" 1 2745 1 13 LEU H 1 53 VAL MG1 3.756 2.345 5.167 3.433 3.287 3.533 . 0 0 "[ . 1]" 1 2746 2 13 LEU H 2 53 VAL MG1 3.756 2.345 5.167 3.433 3.280 3.532 . 0 0 "[ . 1]" 1 2747 1 16 ASN HD22 1 53 VAL MG1 5.375 2.486 8.264 4.627 4.502 4.732 . 0 0 "[ . 1]" 1 2748 2 16 ASN HD22 2 53 VAL MG1 5.375 2.486 8.264 4.627 4.499 4.729 . 0 0 "[ . 1]" 1 2749 1 15 VAL QG 1 50 ARG HE 4.360 2.459 6.261 4.172 3.418 4.377 . 0 0 "[ . 1]" 1 2750 2 15 VAL QG 2 50 ARG HE 4.360 2.459 6.261 4.172 3.416 4.377 . 0 0 "[ . 1]" 1 2751 1 15 VAL H 1 15 VAL QG 2.420 . 3.006 1.781 1.753 1.805 0.081 7 0 "[ . 1]" 1 2752 2 15 VAL H 2 15 VAL QG 2.420 . 3.006 1.781 1.754 1.804 0.080 7 0 "[ . 1]" 1 2753 1 15 VAL QG 1 18 PHE H 4.838 2.497 7.179 4.421 4.363 4.497 . 0 0 "[ . 1]" 1 2754 2 15 VAL QG 2 18 PHE H 4.838 2.497 7.179 4.422 4.365 4.497 . 0 0 "[ . 1]" 1 2755 1 13 LEU H 1 15 VAL QG 4.390 2.463 6.317 3.555 3.496 3.596 . 0 0 "[ . 1]" 1 2756 2 13 LEU H 2 15 VAL QG 4.390 2.463 6.317 3.554 3.496 3.596 . 0 0 "[ . 1]" 1 2757 1 15 VAL H 1 57 LEU MD2 4.907 2.499 7.315 4.914 4.683 5.124 . 0 0 "[ . 1]" 1 2758 2 15 VAL H 2 57 LEU MD2 4.907 2.499 7.315 4.915 4.684 5.124 . 0 0 "[ . 1]" 1 2759 1 12 ALA H 1 57 LEU MD2 3.473 2.267 4.679 3.036 2.772 3.222 . 0 0 "[ . 1]" 1 2760 2 12 ALA H 2 57 LEU MD2 3.473 2.267 4.679 3.037 2.774 3.224 . 0 0 "[ . 1]" 1 2761 1 16 ASN HD22 1 57 LEU MD2 5.089 2.499 7.679 4.698 4.408 4.963 . 0 0 "[ . 1]" 1 2762 2 16 ASN HD22 2 57 LEU MD2 5.089 2.499 7.679 4.699 4.410 4.965 . 0 0 "[ . 1]" 1 2763 1 35 LEU H 1 37 VAL MG2 4.450 2.470 6.430 3.879 3.809 3.947 . 0 0 "[ . 1]" 1 2764 1 41 CYS H 2 37 VAL MG2 4.450 2.470 6.430 3.880 3.811 3.953 . 0 0 "[ . 1]" 1 2765 1 35 LEU MD2 1 37 VAL MG2 4.782 2.495 7.069 4.510 4.426 4.579 . 0 0 "[ . 1]" 1 2766 2 35 LEU MD2 2 37 VAL MG2 4.782 2.495 7.069 4.511 4.428 4.581 . 0 0 "[ . 1]" 1 2767 1 22 VAL MG1 1 23 GLU H 3.251 2.194 4.308 3.618 3.559 3.654 . 0 0 "[ . 1]" 1 2768 2 22 VAL MG1 2 23 GLU H 3.251 2.194 4.308 3.619 3.558 3.656 . 0 0 "[ . 1]" 1 2769 1 22 VAL MG1 1 35 LEU MD2 3.709 2.333 5.085 3.442 3.111 3.629 . 0 0 "[ . 1]" 1 2770 2 22 VAL MG1 2 35 LEU MD2 3.709 2.333 5.085 3.442 3.113 3.628 . 0 0 "[ . 1]" 1 2771 1 21 ILE H 1 22 VAL MG1 3.816 2.360 5.272 3.799 3.697 3.845 . 0 0 "[ . 1]" 1 2772 2 21 ILE H 2 22 VAL MG1 3.816 2.360 5.272 3.799 3.696 3.847 . 0 0 "[ . 1]" 1 2773 1 22 VAL MG1 1 33 ASP H 4.002 2.400 5.604 3.940 3.824 4.047 . 0 0 "[ . 1]" 1 2774 2 22 VAL MG1 2 33 ASP H 4.002 2.400 5.604 3.941 3.824 4.048 . 0 0 "[ . 1]" 1 2775 1 14 ILE MG 1 18 PHE QE 3.012 2.105 3.919 2.081 2.050 2.113 0.055 4 0 "[ . 1]" 1 2776 1 18 PHE QE 2 14 ILE MG 3.012 2.105 3.919 2.083 2.065 2.113 0.040 4 0 "[ . 1]" 1 2777 1 14 ILE MG 1 18 PHE QD 2.424 . 3.012 2.295 2.191 2.504 . 0 0 "[ . 1]" 1 2778 1 18 PHE HZ 2 14 ILE MG 2.424 . 3.012 2.295 2.195 2.505 . 0 0 "[ . 1]" 1 2779 1 14 ILE MG 1 18 PHE H 3.839 2.365 5.313 4.057 3.938 4.110 . 0 0 "[ . 1]" 1 2780 1 35 LEU MD2 2 14 ILE MG 3.839 2.365 5.313 4.057 3.934 4.112 . 0 0 "[ . 1]" 1 2781 1 14 ILE H 1 14 ILE MG 3.818 2.360 5.276 3.662 3.646 3.677 . 0 0 "[ . 1]" 1 2782 1 14 ILE H 2 14 ILE MG 3.818 2.360 5.276 3.662 3.644 3.678 . 0 0 "[ . 1]" 1 2783 1 45 ALA MB 1 46 PHE H 2.273 . 2.789 2.039 2.002 2.101 . 0 0 "[ . 1]" 1 2784 1 35 LEU MD2 2 45 ALA MB 2.273 . 2.789 2.037 2.001 2.099 . 0 0 "[ . 1]" 1 2785 1 45 ALA H 1 45 ALA MB 2.027 . 2.438 1.978 1.964 1.995 . 0 0 "[ . 1]" 1 2786 1 35 LEU MD2 2 45 ALA MB 2.027 . 2.438 1.975 1.961 1.989 . 0 0 "[ . 1]" 1 2787 1 15 VAL H 1 42 ILE MG 3.427 2.253 4.601 2.750 2.628 2.937 . 0 0 "[ . 1]" 1 2788 1 35 LEU MD2 2 42 ILE MG 3.427 2.253 4.601 2.749 2.601 2.945 . 0 0 "[ . 1]" 1 2789 1 42 ILE MG 1 46 PHE QD 2.786 2.010 3.562 2.368 2.226 2.513 . 0 0 "[ . 1]" 1 2790 1 35 LEU MD2 2 42 ILE MG 2.786 2.010 3.562 2.368 2.224 2.512 . 0 0 "[ . 1]" 1 2791 1 42 ILE MG 2 18 PHE QE 3.398 2.243 4.553 2.562 2.450 2.646 . 0 0 "[ . 1]" 1 2792 1 18 PHE QE 2 42 ILE MG 3.398 2.243 4.553 2.560 2.454 2.646 . 0 0 "[ . 1]" 1 2793 1 42 ILE MG 1 48 PHE QE 2.456 . 3.059 2.097 1.992 2.197 . 0 0 "[ . 1]" 1 2794 1 18 PHE HZ 2 42 ILE MG 2.456 . 3.059 2.095 1.993 2.190 . 0 0 "[ . 1]" 1 2795 1 21 ILE H 1 21 ILE MG 2.948 2.079 3.817 3.037 2.904 3.195 . 0 0 "[ . 1]" 1 2796 2 21 ILE H 2 21 ILE MG 2.948 2.079 3.817 3.036 2.899 3.198 . 0 0 "[ . 1]" 1 2797 1 18 PHE QD 1 39 MET ME 3.987 2.398 5.576 4.118 3.988 4.290 . 0 0 "[ . 1]" 1 2798 2 18 PHE QD 2 39 MET ME 3.987 2.398 5.576 4.119 3.989 4.290 . 0 0 "[ . 1]" 1 2799 1 35 LEU MD2 1 39 MET ME 3.816 2.359 5.273 4.131 3.505 4.563 . 0 0 "[ . 1]" 1 2800 2 35 LEU MD2 2 39 MET ME 3.816 2.359 5.273 4.132 3.511 4.564 . 0 0 "[ . 1]" 1 2801 1 19 SER H 1 39 MET ME 3.446 2.259 4.633 3.790 3.753 3.885 . 0 0 "[ . 1]" 1 2802 2 19 SER H 2 39 MET ME 3.446 2.259 4.633 3.791 3.754 3.883 . 0 0 "[ . 1]" 1 2803 1 35 LEU MD2 1 39 MET ME 3.534 2.285 4.783 3.499 3.410 3.615 . 0 0 "[ . 1]" 1 2804 2 35 LEU MD2 2 39 MET ME 3.534 2.285 4.783 3.499 3.412 3.613 . 0 0 "[ . 1]" 1 2805 1 18 PHE QD 1 21 ILE MD 2.859 . 6.000 3.970 3.833 4.238 . 0 0 "[ . 1]" 1 2806 1 46 PHE HZ 2 21 ILE MD 2.859 . 6.000 3.975 3.829 4.239 . 0 0 "[ . 1]" 1 2807 1 18 PHE H 1 21 ILE MD 5.432 2.481 8.383 5.201 5.054 5.375 . 0 0 "[ . 1]" 1 2808 2 18 PHE H 2 21 ILE MD 5.432 2.481 8.383 5.202 5.055 5.375 . 0 0 "[ . 1]" 1 2809 1 21 ILE MD 1 26 GLU H 4.749 2.493 7.005 4.279 4.173 4.373 . 0 0 "[ . 1]" 1 2810 2 21 ILE MD 2 26 GLU H 4.749 2.493 7.005 4.278 4.175 4.371 . 0 0 "[ . 1]" 1 2811 1 20 SER H 1 21 ILE MD 5.295 2.491 8.099 4.550 4.432 4.717 . 0 0 "[ . 1]" 1 2812 2 20 SER H 2 21 ILE MD 5.295 2.491 8.099 4.549 4.434 4.713 . 0 0 "[ . 1]" 1 2813 1 27 ILE MG 1 35 LEU MD2 3.399 2.243 4.555 3.868 3.765 3.922 . 0 0 "[ . 1]" 1 2814 1 46 PHE HZ 2 27 ILE MG 3.399 2.243 4.555 3.868 3.777 3.918 . 0 0 "[ . 1]" 1 2815 1 25 LYS H 1 27 ILE MG 4.307 2.452 6.162 3.932 3.911 3.960 . 0 0 "[ . 1]" 1 2816 2 25 LYS H 2 27 ILE MG 4.307 2.452 6.162 3.933 3.911 3.962 . 0 0 "[ . 1]" 1 2817 1 27 ILE MG 1 33 ASP H 4.215 2.438 5.992 3.944 3.860 4.067 . 0 0 "[ . 1]" 1 2818 2 27 ILE MG 2 33 ASP H 4.215 2.438 5.992 3.944 3.861 4.069 . 0 0 "[ . 1]" 1 2819 1 22 VAL H 1 27 ILE MG 3.799 2.355 5.243 3.743 3.675 3.812 . 0 0 "[ . 1]" 1 2820 2 22 VAL H 2 27 ILE MG 3.799 2.355 5.243 3.744 3.675 3.813 . 0 0 "[ . 1]" 1 2821 1 26 GLU H 1 27 ILE MG 3.305 2.213 4.397 3.210 3.127 3.283 . 0 0 "[ . 1]" 1 2822 2 26 GLU H 2 27 ILE MG 3.305 2.213 4.397 3.209 3.124 3.283 . 0 0 "[ . 1]" 1 2823 1 11 ALA H 1 14 ILE MD 3.489 2.272 4.706 3.213 3.166 3.245 . 0 0 "[ . 1]" 1 2824 2 11 ALA H 2 14 ILE MD 3.489 2.272 4.706 3.214 3.166 3.246 . 0 0 "[ . 1]" 1 2825 1 14 ILE MD 1 15 VAL H 5.168 2.497 7.839 4.130 4.055 4.181 . 0 0 "[ . 1]" 1 2826 1 35 LEU MD2 2 14 ILE MD 5.168 2.497 7.839 4.132 4.054 4.185 . 0 0 "[ . 1]" 1 2827 1 12 ALA H 1 56 ILE MG 3.427 2.253 4.601 3.212 3.107 3.400 . 0 0 "[ . 1]" 1 2828 2 12 ALA H 2 56 ILE MG 3.427 2.253 4.601 3.212 3.109 3.399 . 0 0 "[ . 1]" 1 2829 1 10 ILE H 1 56 ILE MG 4.389 2.463 6.315 4.324 4.113 4.539 . 0 0 "[ . 1]" 1 2830 2 10 ILE H 2 56 ILE MG 4.389 2.463 6.315 4.324 4.114 4.542 . 0 0 "[ . 1]" 1 2831 1 8 GLU HB3 1 48 PHE QR 5.526 2.472 8.580 5.960 4.608 6.620 . 0 0 "[ . 1]" 1 2832 2 8 GLU HB3 2 48 PHE QR 5.526 2.472 8.580 5.959 4.604 6.622 . 0 0 "[ . 1]" 1 2833 1 8 GLU HB2 1 48 PHE QR 4.989 2.500 7.478 5.422 5.181 6.059 . 0 0 "[ . 1]" 1 2834 1 35 LEU MD2 2 44 GLU HB2 4.989 2.500 7.478 5.421 5.174 6.063 . 0 0 "[ . 1]" 1 2835 1 55 GLY H 1 56 ILE HG13 5.052 2.500 7.604 3.731 3.617 3.794 . 0 0 "[ . 1]" 1 2836 2 55 GLY H 2 56 ILE HG13 5.052 2.500 7.604 3.730 3.612 3.796 . 0 0 "[ . 1]" 1 2837 1 48 PHE QR 1 50 ARG HA 3.798 2.355 5.241 3.078 2.945 3.417 . 0 0 "[ . 1]" 1 2838 2 48 PHE QR 2 50 ARG HA 3.798 2.355 5.241 3.079 2.953 3.417 . 0 0 "[ . 1]" 1 2839 1 43 SER HA 1 44 GLU H 3.728 2.338 5.118 3.326 3.198 3.408 . 0 0 "[ . 1]" 1 2840 2 43 SER HA 2 44 GLU H 3.728 2.338 5.118 3.326 3.197 3.411 . 0 0 "[ . 1]" 1 2841 1 34 SER HB3 1 35 LEU MD2 4.760 2.494 7.026 3.943 3.712 4.231 . 0 0 "[ . 1]" 1 2842 2 34 SER HB3 2 35 LEU MD2 4.760 2.494 7.026 3.940 3.708 4.229 . 0 0 "[ . 1]" 1 2843 1 34 SER HB3 1 35 LEU MD2 4.450 2.470 6.430 3.332 2.966 3.806 . 0 0 "[ . 1]" 1 2844 2 34 SER HB3 2 35 LEU MD2 4.450 2.470 6.430 3.332 2.963 3.802 . 0 0 "[ . 1]" 1 2845 1 54 SER HA 1 55 GLY H 3.435 2.255 4.615 3.174 3.108 3.221 . 0 0 "[ . 1]" 1 2846 2 54 SER HA 2 55 GLY H 3.435 2.255 4.615 3.174 3.104 3.220 . 0 0 "[ . 1]" 1 2847 1 17 TYR HA 1 20 SER H 3.028 2.111 3.945 2.706 2.683 2.730 . 0 0 "[ . 1]" 1 2848 2 17 TYR HA 2 20 SER H 3.028 2.111 3.945 2.706 2.683 2.731 . 0 0 "[ . 1]" 1 2849 1 8 GLU HA 1 46 PHE HZ 3.551 2.290 4.812 4.635 4.387 4.860 0.048 9 0 "[ . 1]" 1 2850 2 8 GLU HA 2 46 PHE HZ 3.551 2.290 4.812 4.635 4.384 4.863 0.051 9 0 "[ . 1]" 1 2851 1 8 GLU HA 1 9 GLU H 3.702 2.332 5.072 3.236 2.933 3.423 . 0 0 "[ . 1]" 1 2852 2 8 GLU HA 2 9 GLU H 3.702 2.332 5.072 3.236 2.935 3.422 . 0 0 "[ . 1]" 1 2853 1 39 MET H 1 50 ARG QD 6.764 2.189 11.339 4.526 4.069 4.763 . 0 0 "[ . 1]" 1 2854 2 39 MET H 2 50 ARG QD 6.764 2.189 11.339 4.527 4.075 4.764 . 0 0 "[ . 1]" 1 2855 1 39 MET ME 1 50 ARG QD 3.462 2.263 4.661 2.717 2.429 2.966 . 0 0 "[ . 1]" 1 2856 2 39 MET ME 2 50 ARG QD 3.462 2.263 4.661 2.718 2.429 2.967 . 0 0 "[ . 1]" 1 2857 1 15 VAL QG 1 50 ARG QD 4.402 2.464 6.340 3.261 2.889 3.587 . 0 0 "[ . 1]" 1 2858 2 15 VAL QG 2 50 ARG QD 4.402 2.464 6.340 3.261 2.888 3.591 . 0 0 "[ . 1]" 1 2859 1 7 LYS HE2 2 21 ILE MD 4.213 2.438 5.988 4.073 2.833 4.759 . 0 0 "[ . 1]" 1 2860 1 21 ILE MD 2 7 LYS HE2 4.213 2.438 5.988 4.067 2.832 4.729 . 0 0 "[ . 1]" 1 2861 1 7 LYS HD2 1 7 LYS HE2 2.533 . 3.174 2.302 2.192 2.469 . 0 0 "[ . 1]" 1 2862 2 7 LYS HD2 2 7 LYS HE2 2.533 . 3.174 2.304 2.195 2.472 . 0 0 "[ . 1]" 1 2863 1 11 ALA HA 1 42 ILE MD 3.491 2.272 4.710 3.746 3.637 3.901 . 0 0 "[ . 1]" 1 2864 1 38 ALA HA 2 42 ILE MD 3.491 2.272 4.710 3.747 3.640 3.899 . 0 0 "[ . 1]" 1 2865 1 27 ILE MD 2 7 LYS HE2 4.194 2.435 5.953 4.488 3.520 4.816 . 0 0 "[ . 1]" 1 2866 1 7 LYS HE2 2 27 ILE MD 4.194 2.435 5.953 4.486 3.530 4.815 . 0 0 "[ . 1]" 1 2867 1 27 ILE MD 1 35 LEU MD2 2.554 . 3.206 2.795 2.685 2.888 . 0 0 "[ . 1]" 1 2868 1 46 PHE HZ 2 27 ILE MD 2.554 . 3.206 2.794 2.687 2.883 . 0 0 "[ . 1]" 1 2869 1 27 ILE MD 1 32 ALA H 3.369 2.234 4.504 2.875 2.828 2.922 . 0 0 "[ . 1]" 1 2870 2 27 ILE MD 2 32 ALA H 3.369 2.234 4.504 2.876 2.829 2.922 . 0 0 "[ . 1]" 1 2871 1 18 PHE QE 1 42 ILE MD 2.979 2.092 3.866 2.276 2.255 2.307 . 0 0 "[ . 1]" 1 2872 1 18 PHE QE 2 42 ILE MD 2.979 2.092 3.866 2.274 2.242 2.315 . 0 0 "[ . 1]" 1 2873 1 42 ILE MD 1 43 SER H 4.522 2.478 6.566 3.728 3.635 3.832 . 0 0 "[ . 1]" 1 2874 1 35 LEU MD2 2 42 ILE MD 4.522 2.478 6.566 3.729 3.640 3.833 . 0 0 "[ . 1]" 1 2875 1 39 MET H 1 42 ILE MD 4.353 2.458 6.248 3.522 3.444 3.592 . 0 0 "[ . 1]" 1 2876 1 35 LEU MD2 2 42 ILE MD 4.353 2.458 6.248 3.522 3.447 3.593 . 0 0 "[ . 1]" 1 2877 1 35 LEU MD2 1 42 ILE MD 4.998 2.500 7.496 3.763 3.653 3.884 . 0 0 "[ . 1]" 1 2878 1 35 LEU MD2 2 42 ILE MD 4.998 2.500 7.496 3.763 3.654 3.883 . 0 0 "[ . 1]" 1 2879 1 62 PHE QD 1 70 ILE MD 4.613 2.485 6.741 4.821 3.714 6.730 . 0 0 "[ . 1]" 1 2880 1 62 PHE QD 2 70 ILE MD 4.613 2.485 6.741 4.821 3.714 6.732 . 0 0 "[ . 1]" 1 2881 1 27 ILE MD 1 27 ILE HG13 1.798 . 2.121 1.879 1.835 1.905 . 0 0 "[ . 1]" 1 2882 1 45 ALA MB 2 27 ILE MD 1.798 . 2.121 1.881 1.837 1.908 . 0 0 "[ . 1]" 1 2883 1 21 ILE MD 1 26 GLU HB2 2.684 . 3.404 2.671 2.510 2.985 . 0 0 "[ . 1]" 1 2884 1 7 LYS HD2 2 21 ILE MD 2.684 . 3.404 2.672 2.519 2.983 . 0 0 "[ . 1]" 1 2885 1 21 ILE MD 1 26 GLU HB3 3.588 2.300 4.876 3.019 2.391 3.578 . 0 0 "[ . 1]" 1 2886 2 21 ILE MD 2 26 GLU HB3 3.588 2.300 4.876 3.017 2.389 3.580 . 0 0 "[ . 1]" 1 2887 1 21 ILE HB 1 21 ILE MD 2.559 . 3.214 2.924 2.785 3.081 . 0 0 "[ . 1]" 1 2888 1 7 LYS HB2 2 21 ILE MD 2.559 . 3.214 2.929 2.781 3.075 . 0 0 "[ . 1]" 1 2889 1 5 ALA HA 1 10 ILE MD 4.420 2.466 6.374 4.638 3.574 5.544 . 0 0 "[ . 1]" 1 2890 2 5 ALA HA 2 10 ILE MD 4.420 2.466 6.374 4.637 3.571 5.545 . 0 0 "[ . 1]" 1 2891 1 17 TYR HA 1 21 ILE MD 4.719 2.492 6.946 4.477 4.379 4.610 . 0 0 "[ . 1]" 1 2892 2 17 TYR HA 2 21 ILE MD 4.719 2.492 6.946 4.478 4.381 4.610 . 0 0 "[ . 1]" 1 2893 1 8 GLU HA 1 56 ILE MD 4.802 2.496 7.108 4.474 3.849 5.240 . 0 0 "[ . 1]" 1 2894 2 8 GLU HA 2 56 ILE MD 4.802 2.496 7.108 4.474 3.848 5.240 . 0 0 "[ . 1]" 1 2895 1 56 ILE HB 1 56 ILE MD 2.082 . 2.516 1.990 1.985 1.994 . 0 0 "[ . 1]" 1 2896 2 56 ILE HB 2 56 ILE MD 2.082 . 2.516 1.990 1.984 1.994 . 0 0 "[ . 1]" 1 2897 1 12 ALA H 1 56 ILE MD 4.526 2.477 6.575 3.798 3.663 3.995 . 0 0 "[ . 1]" 1 2898 2 12 ALA H 2 56 ILE MD 4.526 2.477 6.575 3.798 3.665 3.998 . 0 0 "[ . 1]" 1 2899 1 26 GLU HA 1 27 ILE MG 4.096 2.419 5.773 4.125 4.067 4.193 . 0 0 "[ . 1]" 1 2900 2 26 GLU HA 2 27 ILE MG 4.096 2.419 5.773 4.125 4.069 4.195 . 0 0 "[ . 1]" 1 2901 1 18 PHE HB2 1 27 ILE MG 4.540 2.479 6.601 5.326 4.522 5.912 . 0 0 "[ . 1]" 1 2902 1 7 LYS HE2 2 27 ILE MG 4.540 2.479 6.601 5.327 4.528 5.942 . 0 0 "[ . 1]" 1 2903 1 14 ILE HA 1 14 ILE MD 3.220 2.183 4.257 2.838 2.704 3.189 . 0 0 "[ . 1]" 1 2904 1 14 ILE HA 2 14 ILE MD 3.220 2.183 4.257 2.836 2.706 3.177 . 0 0 "[ . 1]" 1 2905 1 27 ILE HG12 1 27 ILE MG 1.865 . 2.213 1.930 1.863 2.005 . 0 0 "[ . 1]" 1 2906 2 27 ILE HG12 2 27 ILE MG 1.865 . 2.213 1.930 1.861 2.005 . 0 0 "[ . 1]" 1 2907 1 14 ILE MD 1 42 ILE MD 2.928 2.070 3.786 3.228 3.051 3.358 . 0 0 "[ . 1]" 1 2908 2 14 ILE MD 2 42 ILE MD 2.928 2.070 3.786 3.228 3.050 3.357 . 0 0 "[ . 1]" 1 2909 1 22 VAL HB 1 27 ILE MG 3.862 2.370 5.354 3.998 3.800 4.111 . 0 0 "[ . 1]" 1 2910 2 22 VAL HB 2 27 ILE MG 3.862 2.370 5.354 3.998 3.801 4.111 . 0 0 "[ . 1]" 1 2911 1 8 GLU HA 1 12 ALA MB 2.621 . 6.000 3.683 3.633 3.734 . 0 0 "[ . 1]" 1 2912 2 8 GLU HA 2 12 ALA MB 2.621 . 6.000 3.684 3.633 3.734 . 0 0 "[ . 1]" 1 2913 1 21 ILE MG 1 24 LYS HD3 3.109 . 6.000 4.975 4.728 5.126 . 0 0 "[ . 1]" 1 2914 2 21 ILE MG 2 24 LYS HD3 3.109 . 6.000 4.974 4.727 5.126 . 0 0 "[ . 1]" 1 2915 1 56 ILE HB 1 56 ILE MG 1.903 . 2.265 1.982 1.975 1.989 . 0 0 "[ . 1]" 1 2916 2 56 ILE HB 2 56 ILE MG 1.903 . 2.265 1.983 1.976 1.988 . 0 0 "[ . 1]" 1 2917 1 8 GLU HB2 1 12 ALA MB 4.445 2.469 6.421 4.965 4.487 5.134 . 0 0 "[ . 1]" 1 2918 2 8 GLU HB2 2 12 ALA MB 4.445 2.469 6.421 4.964 4.484 5.135 . 0 0 "[ . 1]" 1 2919 1 8 GLU HG3 1 12 ALA MB 3.942 2.388 5.496 4.408 4.142 4.974 . 0 0 "[ . 1]" 1 2920 2 8 GLU HG3 2 12 ALA MB 3.942 2.388 5.496 4.409 4.146 4.976 . 0 0 "[ . 1]" 1 2921 1 8 GLU HA 1 56 ILE MG 4.025 2.405 5.645 4.401 3.830 5.102 . 0 0 "[ . 1]" 1 2922 2 8 GLU HA 2 56 ILE MG 4.025 2.405 5.645 4.401 3.831 5.100 . 0 0 "[ . 1]" 1 2923 1 9 GLU HA 1 56 ILE MG 2.160 . 2.627 1.905 1.828 1.980 . 0 0 "[ . 1]" 1 2924 2 9 GLU HA 2 56 ILE MG 2.160 . 2.627 1.904 1.827 1.981 . 0 0 "[ . 1]" 1 2925 1 8 GLU HG3 1 56 ILE MG 4.219 2.439 5.999 3.576 3.276 3.917 . 0 0 "[ . 1]" 1 2926 2 8 GLU HG3 2 56 ILE MG 4.219 2.439 5.999 3.575 3.273 3.917 . 0 0 "[ . 1]" 1 2927 1 14 ILE HG13 1 14 ILE MG 2.420 . 3.006 3.096 3.086 3.115 0.109 8 0 "[ . 1]" 1 2928 1 14 ILE HG13 2 14 ILE MG 2.420 . 3.006 3.095 3.085 3.115 0.109 8 0 "[ . 1]" 1 2929 1 11 ALA HA 1 11 ALA MB 1.869 . 2.218 1.894 1.893 1.896 . 0 0 "[ . 1]" 1 2930 2 11 ALA HA 2 11 ALA MB 1.869 . 2.218 1.894 1.892 1.895 . 0 0 "[ . 1]" 1 2931 1 11 ALA HA 1 15 VAL QG 3.389 2.240 4.538 3.570 3.522 3.609 . 0 0 "[ . 1]" 1 2932 2 11 ALA HA 2 15 VAL QG 3.389 2.240 4.538 3.570 3.520 3.609 . 0 0 "[ . 1]" 1 2933 1 37 VAL HA 1 37 VAL MG2 2.638 . 3.334 2.890 2.879 2.900 . 0 0 "[ . 1]" 1 2934 2 37 VAL HA 2 37 VAL MG2 2.638 . 3.334 2.891 2.878 2.901 . 0 0 "[ . 1]" 1 2935 1 14 ILE HA 1 15 VAL QG 3.726 2.338 5.114 3.202 2.870 3.480 . 0 0 "[ . 1]" 1 2936 2 14 ILE HA 2 15 VAL QG 3.726 2.338 5.114 3.202 2.869 3.483 . 0 0 "[ . 1]" 1 2937 1 14 ILE HB 1 15 VAL QG 3.465 2.264 4.666 3.016 2.958 3.055 . 0 0 "[ . 1]" 1 2938 2 14 ILE HB 2 15 VAL QG 3.465 2.264 4.666 3.016 2.959 3.055 . 0 0 "[ . 1]" 1 2939 1 33 ASP HA 1 37 VAL MG1 3.776 2.350 5.202 3.982 3.849 4.051 . 0 0 "[ . 1]" 1 2940 2 33 ASP HA 2 37 VAL MG1 3.776 2.350 5.202 3.981 3.847 4.046 . 0 0 "[ . 1]" 1 2941 1 50 ARG HA 1 53 VAL MG2 3.143 2.155 4.131 3.276 3.034 3.636 . 0 0 "[ . 1]" 1 2942 2 50 ARG HA 2 53 VAL MG2 3.143 2.155 4.131 3.277 3.034 3.635 . 0 0 "[ . 1]" 1 2943 1 21 ILE HA 1 22 VAL MG2 3.598 2.303 4.893 4.424 4.376 4.509 . 0 0 "[ . 1]" 1 2944 2 21 ILE HA 2 22 VAL MG2 3.598 2.303 4.893 4.424 4.375 4.508 . 0 0 "[ . 1]" 1 2945 1 22 VAL HB 1 22 VAL MG2 1.839 . 2.177 1.897 1.896 1.897 . 0 0 "[ . 1]" 1 2946 2 22 VAL HB 2 22 VAL MG2 1.839 . 2.177 1.897 1.896 1.898 . 0 0 "[ . 1]" 1 2947 1 21 ILE HB 1 22 VAL MG1 2.265 . 2.778 2.750 2.614 2.809 0.031 1 0 "[ . 1]" 1 2948 2 21 ILE HB 2 22 VAL MG1 2.265 . 2.778 2.750 2.614 2.807 0.029 1 0 "[ . 1]" 1 2949 1 18 PHE HA 1 22 VAL MG1 3.804 2.357 5.251 3.569 3.395 3.747 . 0 0 "[ . 1]" 1 2950 2 18 PHE HA 2 22 VAL MG1 3.804 2.357 5.251 3.569 3.397 3.747 . 0 0 "[ . 1]" 1 2951 1 16 ASN HA 1 57 LEU MD1 4.342 2.457 6.227 3.360 2.424 4.898 0.033 1 0 "[ . 1]" 1 2952 2 16 ASN HA 2 57 LEU MD1 4.342 2.457 6.227 3.359 2.422 4.896 0.035 1 0 "[ . 1]" 1 2953 1 10 ILE HA 1 57 LEU MD1 4.935 2.500 7.370 5.799 5.352 6.071 . 0 0 "[ . 1]" 1 2954 2 10 ILE HA 2 57 LEU MD1 4.935 2.500 7.370 5.798 5.353 6.072 . 0 0 "[ . 1]" 1 2955 1 22 VAL MG1 1 35 LEU MD1 2.106 . 2.550 2.054 2.047 2.065 . 0 0 "[ . 1]" 1 2956 2 22 VAL MG1 2 35 LEU MD1 2.106 . 2.550 2.054 2.047 2.065 . 0 0 "[ . 1]" 1 2957 1 18 PHE QD 1 35 LEU MD1 2.297 . 2.825 1.945 1.920 2.006 . 0 0 "[ . 1]" 1 2958 2 18 PHE QD 2 35 LEU MD1 2.297 . 2.825 1.945 1.918 2.006 . 0 0 "[ . 1]" 1 2959 1 6 SER HB3 1 7 LYS HG2 6.051 2.390 9.712 4.331 3.653 5.051 . 0 0 "[ . 1]" 1 2960 2 6 SER HB3 2 7 LYS HG2 6.051 2.390 9.712 4.330 3.640 5.053 . 0 0 "[ . 1]" 1 2961 1 27 ILE HG13 1 32 ALA H 5.149 2.498 7.800 4.626 4.539 4.751 . 0 0 "[ . 1]" 1 2962 2 27 ILE HG13 2 32 ALA H 5.149 2.498 7.800 4.627 4.536 4.750 . 0 0 "[ . 1]" 1 2963 1 27 ILE H 1 27 ILE HG13 4.348 2.457 6.239 4.484 4.466 4.514 . 0 0 "[ . 1]" 1 2964 2 27 ILE H 2 27 ILE HG13 4.348 2.457 6.239 4.484 4.466 4.513 . 0 0 "[ . 1]" 1 2965 1 22 VAL HB 1 22 VAL QG 1.779 . 2.096 1.772 1.771 1.772 . 0 0 "[ . 1]" 1 2966 2 22 VAL HB 2 22 VAL QG 1.779 . 2.096 1.772 1.771 1.773 . 0 0 "[ . 1]" 1 2967 1 54 SER HA 1 56 ILE HB 5.117 2.499 7.735 5.079 5.009 5.184 . 0 0 "[ . 1]" 1 2968 2 54 SER HA 2 56 ILE HB 5.117 2.499 7.735 5.079 5.007 5.185 . 0 0 "[ . 1]" 1 2969 1 42 ILE HB 1 42 ILE MD 2.153 . 2.617 1.992 1.985 1.996 . 0 0 "[ . 1]" 1 2970 2 42 ILE HB 2 42 ILE MD 2.153 . 2.617 1.992 1.985 1.996 . 0 0 "[ . 1]" 1 2971 1 57 LEU HB2 1 57 LEU QD 2.534 . 3.176 2.320 2.288 2.406 . 0 0 "[ . 1]" 1 2972 2 57 LEU HB2 2 57 LEU QD 2.534 . 3.176 2.319 2.287 2.406 . 0 0 "[ . 1]" 1 2973 1 22 VAL QG 1 36 ASN HB2 4.636 2.487 6.785 4.420 4.087 4.625 . 0 0 "[ . 1]" 1 2974 2 22 VAL QG 2 36 ASN HB2 4.636 2.487 6.785 4.417 4.085 4.621 . 0 0 "[ . 1]" 1 2975 1 33 ASP HA 1 36 ASN HB2 2.604 . 3.282 2.253 2.141 2.337 . 0 0 "[ . 1]" 1 2976 2 33 ASP HA 2 36 ASN HB2 2.604 . 3.282 2.251 2.139 2.337 . 0 0 "[ . 1]" 1 2977 1 18 PHE HB3 1 22 VAL MG1 4.515 2.476 6.554 3.148 3.055 3.280 . 0 0 "[ . 1]" 1 2978 2 18 PHE HB3 2 22 VAL MG1 4.515 2.476 6.554 3.147 3.053 3.278 . 0 0 "[ . 1]" 1 2979 1 18 PHE HB2 1 22 VAL QG 5.725 2.447 9.003 4.254 4.151 4.418 . 0 0 "[ . 1]" 1 2980 2 18 PHE HB2 2 22 VAL QG 5.725 2.447 9.003 4.254 4.152 4.417 . 0 0 "[ . 1]" 1 2981 1 16 ASN HD22 1 72 ASN HB2 3.101 2.139 4.063 3.698 2.737 4.247 0.184 8 0 "[ . 1]" 1 2982 2 16 ASN HD22 2 72 ASN HB2 3.101 2.139 4.063 3.695 2.730 4.245 0.182 8 0 "[ . 1]" 1 2983 1 27 ILE HG13 1 31 GLY HA3 3.565 2.294 4.836 2.877 2.770 2.989 . 0 0 "[ . 1]" 1 2984 1 45 ALA MB 2 31 GLY HA3 3.565 2.294 4.836 2.877 2.773 2.981 . 0 0 "[ . 1]" 1 2985 1 27 ILE HG12 1 31 GLY HA2 4.445 2.469 6.421 3.772 3.634 4.028 . 0 0 "[ . 1]" 1 2986 2 27 ILE HG12 2 31 GLY HA2 4.445 2.469 6.421 3.773 3.633 4.029 . 0 0 "[ . 1]" 1 2987 1 11 ALA HA 1 15 VAL QG 2.602 . 6.000 3.522 3.452 3.574 . 0 0 "[ . 1]" 1 2988 2 11 ALA HA 2 15 VAL QG 2.602 . 6.000 3.521 3.451 3.574 . 0 0 "[ . 1]" 1 2989 1 59 LYS HA 1 59 LYS QG 3.029 2.112 3.946 2.737 2.414 3.337 . 0 0 "[ . 1]" 1 2990 2 59 LYS HA 2 59 LYS QG 3.029 2.112 3.946 2.736 2.416 3.337 . 0 0 "[ . 1]" 1 2991 1 49 GLU HA 1 49 GLU HB2 2.772 2.004 3.540 2.496 2.425 2.688 . 0 0 "[ . 1]" 1 2992 2 49 GLU HA 2 49 GLU HB2 2.772 2.004 3.540 2.496 2.425 2.687 . 0 0 "[ . 1]" 1 2993 1 10 ILE HA 1 11 ALA HA 4.398 2.463 6.333 4.393 4.316 4.431 . 0 0 "[ . 1]" 1 2994 2 10 ILE HA 2 11 ALA HA 4.398 2.463 6.333 4.393 4.317 4.433 . 0 0 "[ . 1]" 1 2995 1 24 LYS QD 1 24 LYS QE 2.376 . 2.941 2.033 1.984 2.089 . 0 0 "[ . 1]" 1 2996 2 24 LYS QD 2 24 LYS QE 2.376 . 2.941 2.033 1.986 2.091 . 0 0 "[ . 1]" 1 2997 1 31 GLY HA3 1 34 SER H 4.847 2.497 7.197 4.273 4.154 4.352 . 0 0 "[ . 1]" 1 2998 2 31 GLY HA3 2 34 SER H 4.847 2.497 7.197 4.273 4.153 4.355 . 0 0 "[ . 1]" 1 2999 1 15 VAL HA 1 39 MET HG3 4.371 2.460 6.282 3.048 2.949 3.167 . 0 0 "[ . 1]" 1 3000 2 15 VAL HA 2 39 MET HG3 4.371 2.460 6.282 3.049 2.949 3.167 . 0 0 "[ . 1]" 1 3001 1 18 PHE HA 1 39 MET HG2 5.612 2.462 8.762 4.820 4.707 4.955 . 0 0 "[ . 1]" 1 3002 2 18 PHE HA 2 39 MET HG2 5.612 2.462 8.762 4.820 4.706 4.954 . 0 0 "[ . 1]" 1 3003 1 37 VAL HB 1 38 ALA MB 4.213 2.438 5.988 4.968 4.909 5.036 . 0 0 "[ . 1]" 1 3004 1 38 ALA MB 2 37 VAL HB 4.213 2.438 5.988 4.967 4.909 5.032 . 0 0 "[ . 1]" 1 3005 1 15 VAL HB 1 19 SER HB2 4.178 2.433 5.923 4.555 4.076 4.698 . 0 0 "[ . 1]" 1 3006 2 15 VAL HB 2 19 SER HB2 4.178 2.433 5.923 4.556 4.070 4.694 . 0 0 "[ . 1]" 1 3007 1 55 GLY H 1 56 ILE HG12 5.724 2.447 9.001 4.649 4.590 4.713 . 0 0 "[ . 1]" 1 3008 2 55 GLY H 2 56 ILE HG12 5.724 2.447 9.001 4.649 4.587 4.713 . 0 0 "[ . 1]" 1 3009 1 25 LYS HA 1 25 LYS HB2 2.533 . 3.174 2.690 2.686 2.692 . 0 0 "[ . 1]" 1 3010 2 25 LYS HA 2 25 LYS HB2 2.533 . 3.174 2.690 2.686 2.693 . 0 0 "[ . 1]" 1 3011 1 21 ILE MD 1 21 ILE HG13 2.140 . 2.598 1.972 1.965 1.979 . 0 0 "[ . 1]" 1 3012 2 21 ILE MD 2 21 ILE HG13 2.140 . 2.598 1.972 1.965 1.980 . 0 0 "[ . 1]" 1 3013 1 42 ILE MD 1 42 ILE HG12 2.421 . 3.007 1.967 1.951 1.974 . 0 0 "[ . 1]" 1 3014 2 42 ILE MD 2 42 ILE HG12 2.421 . 3.007 1.967 1.950 1.973 . 0 0 "[ . 1]" 1 3015 1 56 ILE HG12 1 56 ILE MG 2.436 . 3.029 1.975 1.968 1.985 . 0 0 "[ . 1]" 1 3016 2 56 ILE HG12 2 56 ILE MG 2.436 . 3.029 1.975 1.968 1.985 . 0 0 "[ . 1]" 1 3017 1 19 SER HA 1 22 VAL HB 3.460 2.263 4.657 4.281 4.153 4.362 . 0 0 "[ . 1]" 1 3018 2 19 SER HA 2 22 VAL HB 3.460 2.263 4.657 4.281 4.154 4.363 . 0 0 "[ . 1]" 1 3019 1 2 VAL HA 1 2 VAL HB 2.561 . 3.217 2.226 2.184 2.315 . 0 0 "[ . 1]" 1 3020 2 2 VAL HA 2 2 VAL HB 2.561 . 3.217 2.226 2.184 2.314 . 0 0 "[ . 1]" 1 3021 1 7 LYS HD3 2 21 ILE MD 2.829 2.029 3.629 2.398 2.013 2.860 0.016 7 0 "[ . 1]" 1 3022 1 21 ILE MD 2 7 LYS HD3 2.829 2.029 3.629 2.391 2.021 2.783 0.008 7 0 "[ . 1]" 1 3023 1 41 CYS HB3 2 35 LEU HA 3.879 2.374 5.384 3.685 3.527 3.916 . 0 0 "[ . 1]" 1 3024 1 35 LEU HA 2 41 CYS HB3 3.879 2.374 5.384 3.681 3.513 3.903 . 0 0 "[ . 1]" 1 3025 1 23 GLU HA 1 23 GLU HG2 2.963 2.085 3.841 2.506 2.185 2.969 . 0 0 "[ . 1]" 1 3026 2 23 GLU HA 2 23 GLU HG2 2.963 2.085 3.841 2.505 2.185 2.971 . 0 0 "[ . 1]" 1 3027 1 49 GLU HG2 1 52 ALA H 4.442 2.468 6.416 4.233 2.969 4.966 . 0 0 "[ . 1]" 1 3028 2 49 GLU HG2 2 52 ALA H 4.442 2.468 6.416 4.233 2.981 4.963 . 0 0 "[ . 1]" 1 3029 1 51 GLU QB 1 52 ALA HA 4.348 2.458 6.238 4.119 3.941 4.460 . 0 0 "[ . 1]" 1 3030 2 51 GLU QB 2 52 ALA HA 4.348 2.458 6.238 4.120 3.944 4.452 . 0 0 "[ . 1]" 1 3031 1 24 LYS HA 1 24 LYS HG2 2.482 . 3.098 2.308 2.170 2.487 . 0 0 "[ . 1]" 1 3032 2 24 LYS HA 2 24 LYS HG2 2.482 . 3.098 2.308 2.171 2.489 . 0 0 "[ . 1]" 1 3033 1 14 ILE MG 1 16 ASN HA 4.688 2.490 6.886 5.040 4.787 5.252 . 0 0 "[ . 1]" 1 3034 2 14 ILE MG 2 16 ASN HA 4.688 2.490 6.886 5.039 4.787 5.254 . 0 0 "[ . 1]" 1 3035 1 16 ASN HA 1 53 VAL MG2 3.780 2.351 5.209 3.260 3.034 3.474 . 0 0 "[ . 1]" 1 3036 2 16 ASN HA 2 53 VAL MG2 3.780 2.351 5.209 3.260 3.035 3.475 . 0 0 "[ . 1]" 1 3037 1 18 PHE HA 1 21 ILE MD 3.627 2.311 4.943 3.379 3.302 3.467 . 0 0 "[ . 1]" 1 3038 2 18 PHE HA 2 21 ILE MD 3.627 2.311 4.943 3.379 3.301 3.467 . 0 0 "[ . 1]" 1 3039 1 51 GLU HA 1 51 GLU QG 2.955 2.082 3.828 2.796 2.391 3.343 . 0 0 "[ . 1]" 1 3040 2 51 GLU HA 2 51 GLU QG 2.955 2.082 3.828 2.796 2.402 3.340 . 0 0 "[ . 1]" 1 3041 1 25 LYS HB2 1 28 SER HA 5.039 2.500 7.578 4.915 4.712 5.536 . 0 0 "[ . 1]" 1 3042 2 25 LYS HB2 2 28 SER HA 5.039 2.500 7.578 4.914 4.706 5.537 . 0 0 "[ . 1]" 1 3043 1 13 LEU HA 1 57 LEU QD 2.408 . 2.988 2.238 1.998 2.551 . 0 0 "[ . 1]" 1 3044 2 13 LEU HA 2 57 LEU QD 2.408 . 2.988 2.238 2.003 2.552 . 0 0 "[ . 1]" 1 3045 1 7 LYS HA 1 10 ILE MD 2.795 2.014 3.576 2.879 2.258 3.343 . 0 0 "[ . 1]" 1 3046 2 7 LYS HA 2 10 ILE MD 2.795 2.014 3.576 2.878 2.257 3.341 . 0 0 "[ . 1]" 1 3047 1 7 LYS HA 1 10 ILE HB 2.871 2.047 3.695 2.290 2.263 2.377 . 0 0 "[ . 1]" 1 3048 2 7 LYS HA 2 10 ILE HB 2.871 2.047 3.695 2.290 2.263 2.375 . 0 0 "[ . 1]" 1 3049 1 15 VAL QG 1 50 ARG HA 2.371 . 2.933 2.268 2.117 2.374 . 0 0 "[ . 1]" 1 3050 2 15 VAL QG 2 50 ARG HA 2.371 . 2.933 2.268 2.118 2.376 . 0 0 "[ . 1]" 1 3051 1 23 GLU HA 1 24 LYS HG3 4.341 2.457 6.225 4.528 4.405 4.680 . 0 0 "[ . 1]" 1 3052 2 23 GLU HA 2 24 LYS HG3 4.341 2.457 6.225 4.528 4.401 4.684 . 0 0 "[ . 1]" 1 3053 1 23 GLU HA 1 24 LYS HB3 5.240 2.495 7.985 5.800 5.593 6.036 . 0 0 "[ . 1]" 1 3054 2 23 GLU HA 2 24 LYS HB3 5.240 2.495 7.985 5.800 5.590 6.034 . 0 0 "[ . 1]" 1 3055 1 39 MET HA 1 39 MET HB3 2.797 2.015 3.579 2.435 2.404 2.470 . 0 0 "[ . 1]" 1 3056 2 39 MET HA 2 39 MET HB3 2.797 2.015 3.579 2.434 2.402 2.471 . 0 0 "[ . 1]" 1 3057 1 19 SER HA 1 22 VAL HB 3.685 2.327 5.043 4.337 4.085 4.744 . 0 0 "[ . 1]" 1 3058 2 19 SER HA 2 22 VAL HB 3.685 2.327 5.043 4.337 4.088 4.747 . 0 0 "[ . 1]" 1 3059 1 34 SER HB3 2 44 GLU HB2 5.034 2.500 7.568 4.491 3.760 4.814 . 0 0 "[ . 1]" 1 3060 1 44 GLU HB2 2 34 SER HB3 5.034 2.500 7.568 4.494 3.777 4.813 . 0 0 "[ . 1]" 1 3061 1 19 SER HB2 1 39 MET ME 4.235 2.442 6.028 4.441 3.476 4.874 . 0 0 "[ . 1]" 1 3062 2 19 SER HB2 2 39 MET ME 4.235 2.442 6.028 4.441 3.474 4.869 . 0 0 "[ . 1]" 1 3063 1 42 ILE MG 1 43 SER HB2 5.290 2.491 8.089 4.862 4.504 5.097 . 0 0 "[ . 1]" 1 3064 2 42 ILE MG 2 43 SER HB2 5.290 2.491 8.089 4.862 4.506 5.094 . 0 0 "[ . 1]" 1 3065 1 21 ILE HA 1 21 ILE HB 2.895 2.057 3.733 2.816 2.725 2.905 . 0 0 "[ . 1]" 1 3066 2 21 ILE HA 2 21 ILE HB 2.895 2.057 3.733 2.816 2.724 2.904 . 0 0 "[ . 1]" 1 3067 1 41 CYS HA 1 42 ILE MG 4.555 2.480 6.630 4.501 4.312 4.711 . 0 0 "[ . 1]" 1 3068 2 41 CYS HA 2 42 ILE MG 4.555 2.480 6.630 4.501 4.313 4.713 . 0 0 "[ . 1]" 1 3069 1 56 ILE HA 1 56 ILE HB 2.758 . 3.519 2.456 2.426 2.494 . 0 0 "[ . 1]" 1 3070 2 56 ILE HA 2 56 ILE HB 2.758 . 3.519 2.456 2.426 2.493 . 0 0 "[ . 1]" 1 3071 1 21 ILE HB 1 22 VAL HA 4.088 2.417 5.759 4.218 4.132 4.266 . 0 0 "[ . 1]" 1 3072 2 21 ILE HB 2 22 VAL HA 4.088 2.417 5.759 4.218 4.132 4.266 . 0 0 "[ . 1]" 1 3073 1 15 VAL HA 1 15 VAL QG 2.592 . 3.264 2.255 2.242 2.271 . 0 0 "[ . 1]" 1 3074 2 15 VAL HA 2 15 VAL QG 2.592 . 3.264 2.255 2.247 2.272 . 0 0 "[ . 1]" 1 3075 1 28 SER H 1 28 SER HB3 3.360 2.231 4.489 2.827 2.406 3.340 . 0 0 "[ . 1]" 1 3076 2 28 SER H 2 28 SER HB3 3.360 2.231 4.489 2.828 2.409 3.341 . 0 0 "[ . 1]" 1 3077 1 14 ILE HA 1 14 ILE MD 2.857 2.041 3.673 2.836 2.706 3.177 . 0 0 "[ . 1]" 1 3078 1 14 ILE MD 2 14 ILE HA 2.857 2.041 3.673 2.838 2.704 3.189 . 0 0 "[ . 1]" 1 3079 1 10 ILE HA 1 10 ILE MD 2.605 . 3.284 2.278 1.993 2.574 . 0 0 "[ . 1]" 1 3080 2 10 ILE HA 2 10 ILE MD 2.605 . 3.284 2.278 1.995 2.572 . 0 0 "[ . 1]" 1 3081 1 10 ILE HA 1 10 ILE HB 2.791 2.012 3.570 2.694 2.691 2.697 . 0 0 "[ . 1]" 1 3082 2 10 ILE HA 2 10 ILE HB 2.791 2.012 3.570 2.695 2.691 2.696 . 0 0 "[ . 1]" 1 3083 1 42 ILE HA 1 42 ILE MG 2.392 . 2.964 2.256 2.194 2.315 . 0 0 "[ . 1]" 1 3084 2 42 ILE HA 2 42 ILE MG 2.392 . 2.964 2.255 2.192 2.314 . 0 0 "[ . 1]" 1 3085 1 10 ILE H 1 10 ILE HA 2.694 . 3.420 2.503 2.495 2.513 . 0 0 "[ . 1]" 1 3086 2 10 ILE H 2 10 ILE HA 2.694 . 3.420 2.504 2.495 2.512 . 0 0 "[ . 1]" 1 3087 1 42 ILE H 1 42 ILE HA 3.016 2.106 3.926 2.302 2.240 2.384 . 0 0 "[ . 1]" 1 3088 1 35 LEU MD2 2 42 ILE HA 3.016 2.106 3.926 2.299 2.246 2.387 . 0 0 "[ . 1]" 1 3089 1 56 ILE HA 1 57 LEU H 3.880 2.375 5.385 3.384 3.244 3.460 . 0 0 "[ . 1]" 1 3090 2 56 ILE HA 2 57 LEU H 3.880 2.375 5.385 3.384 3.248 3.459 . 0 0 "[ . 1]" 1 3091 1 32 ALA HA 1 34 SER H 4.198 2.435 5.961 3.994 3.912 4.053 . 0 0 "[ . 1]" 1 3092 2 32 ALA HA 2 34 SER H 4.198 2.435 5.961 3.995 3.911 4.053 . 0 0 "[ . 1]" 1 3093 1 31 GLY H 1 32 ALA HA 4.885 2.499 7.271 4.320 4.228 4.396 . 0 0 "[ . 1]" 1 3094 2 31 GLY H 2 32 ALA HA 4.885 2.499 7.271 4.322 4.229 4.398 . 0 0 "[ . 1]" 1 3095 1 11 ALA MB 1 46 PHE HB2 3.524 2.282 4.766 3.365 3.129 3.478 . 0 0 "[ . 1]" 1 3096 2 11 ALA MB 2 46 PHE HB2 3.524 2.282 4.766 3.366 3.127 3.478 . 0 0 "[ . 1]" 1 3097 1 8 GLU HB2 1 46 PHE HB2 6.141 2.370 9.912 4.655 4.266 5.101 . 0 0 "[ . 1]" 1 3098 2 8 GLU HB2 2 46 PHE HB2 6.141 2.370 9.912 4.657 4.272 5.098 . 0 0 "[ . 1]" 1 3099 1 8 GLU HA 1 46 PHE HB2 4.156 2.429 5.883 4.163 3.863 4.556 . 0 0 "[ . 1]" 1 3100 2 8 GLU HA 2 46 PHE HB2 4.156 2.429 5.883 4.163 3.861 4.556 . 0 0 "[ . 1]" 1 3101 1 22 VAL HB 1 24 LYS H 4.526 2.478 6.574 4.877 4.804 4.923 . 0 0 "[ . 1]" 1 3102 2 22 VAL HB 2 24 LYS H 4.526 2.478 6.574 4.877 4.803 4.925 . 0 0 "[ . 1]" 1 3103 1 57 LEU QD 1 57 LEU HG 2.107 . 2.551 1.893 1.891 1.894 . 0 0 "[ . 1]" 1 3104 2 57 LEU QD 2 57 LEU HG 2.107 . 2.551 1.892 1.890 1.894 . 0 0 "[ . 1]" 1 3105 1 18 PHE H 1 19 SER HA 5.628 2.460 8.796 4.766 4.643 5.091 . 0 0 "[ . 1]" 1 3106 2 18 PHE H 2 19 SER HA 5.628 2.460 8.796 4.768 4.641 5.094 . 0 0 "[ . 1]" 1 3107 1 45 ALA HA 1 47 GLY H 4.235 2.441 6.029 3.800 3.696 3.914 . 0 0 "[ . 1]" 1 3108 1 34 SER H 2 45 ALA HA 4.235 2.441 6.029 3.797 3.695 3.915 . 0 0 "[ . 1]" 1 3109 1 5 ALA HA 1 62 PHE QR 4.600 2.484 6.716 4.606 3.210 6.094 . 0 0 "[ . 1]" 1 3110 2 5 ALA HA 2 62 PHE QR 4.600 2.484 6.716 4.605 3.210 6.096 . 0 0 "[ . 1]" 1 3111 1 55 GLY H 1 55 GLY HA2 2.427 . 3.016 2.192 2.183 2.226 . 0 0 "[ . 1]" 1 3112 2 55 GLY H 2 55 GLY HA2 2.427 . 3.016 2.192 2.184 2.223 . 0 0 "[ . 1]" 1 3113 1 15 VAL H 1 15 VAL HB 2.841 2.034 3.648 3.308 3.276 3.341 . 0 0 "[ . 1]" 1 3114 2 15 VAL H 2 15 VAL HB 2.841 2.034 3.648 3.307 3.276 3.341 . 0 0 "[ . 1]" 1 3115 1 9 GLU HB2 1 10 ILE MD 4.101 2.420 5.782 3.002 2.680 3.521 . 0 0 "[ . 1]" 1 3116 2 9 GLU HB2 2 10 ILE MD 4.101 2.420 5.782 3.003 2.681 3.524 . 0 0 "[ . 1]" 1 3117 1 21 ILE HG13 1 22 VAL H 5.766 2.441 9.091 4.490 4.390 4.603 . 0 0 "[ . 1]" 1 3118 2 21 ILE HG13 2 22 VAL H 5.766 2.441 9.091 4.491 4.393 4.605 . 0 0 "[ . 1]" 1 3119 1 14 ILE H 1 15 VAL QG 4.064 2.413 5.715 3.692 3.652 3.724 . 0 0 "[ . 1]" 1 3120 1 35 LEU MD2 2 15 VAL QG 4.064 2.413 5.715 3.692 3.649 3.723 . 0 0 "[ . 1]" 1 3121 1 22 VAL MG2 1 24 LYS H 4.353 2.458 6.248 4.182 4.056 4.272 . 0 0 "[ . 1]" 1 3122 2 22 VAL MG2 2 24 LYS H 4.353 2.458 6.248 4.182 4.053 4.273 . 0 0 "[ . 1]" 1 3123 1 17 TYR H 1 53 VAL MG2 5.113 2.499 7.727 4.848 4.714 4.972 . 0 0 "[ . 1]" 1 3124 2 17 TYR H 2 53 VAL MG2 5.113 2.499 7.727 4.848 4.714 4.971 . 0 0 "[ . 1]" 1 3125 1 22 VAL MG2 1 35 LEU MD2 4.723 2.492 6.954 4.804 4.483 4.977 . 0 0 "[ . 1]" 1 3126 2 22 VAL MG2 2 35 LEU MD2 4.723 2.492 6.954 4.804 4.483 4.976 . 0 0 "[ . 1]" 1 3127 1 18 PHE HB2 1 22 VAL MG1 4.443 2.469 6.417 4.312 4.130 4.450 . 0 0 "[ . 1]" 1 3128 2 18 PHE HB2 2 22 VAL MG1 4.443 2.469 6.417 4.312 4.132 4.450 . 0 0 "[ . 1]" 1 3129 1 5 ALA MB 1 10 ILE HA 5.309 2.490 8.128 4.648 3.163 5.572 . 0 0 "[ . 1]" 1 3130 2 5 ALA MB 2 10 ILE HA 5.309 2.490 8.128 4.648 3.164 5.571 . 0 0 "[ . 1]" 1 3131 1 35 LEU MD2 1 38 ALA MB 3.224 2.185 4.263 2.794 2.716 2.895 . 0 0 "[ . 1]" 1 3132 1 42 ILE H 2 38 ALA MB 3.224 2.185 4.263 2.795 2.726 2.895 . 0 0 "[ . 1]" 1 3133 1 28 SER H 1 32 ALA MB 3.967 2.393 5.541 4.068 4.032 4.095 . 0 0 "[ . 1]" 1 3134 2 28 SER H 2 32 ALA MB 3.967 2.393 5.541 4.071 4.031 4.099 . 0 0 "[ . 1]" 1 3135 1 22 VAL H 1 32 ALA MB 3.849 2.368 5.330 4.159 4.089 4.265 . 0 0 "[ . 1]" 1 3136 2 22 VAL H 2 32 ALA MB 3.849 2.368 5.330 4.160 4.086 4.268 . 0 0 "[ . 1]" 1 3137 1 11 ALA H 1 11 ALA MB 2.072 . 2.501 1.975 1.959 1.990 . 0 0 "[ . 1]" 1 3138 1 35 LEU MD2 2 45 ALA MB 2.072 . 2.501 1.972 1.959 1.990 . 0 0 "[ . 1]" 1 3139 1 10 ILE H 1 10 ILE MG 3.487 2.271 4.703 3.384 3.320 3.442 . 0 0 "[ . 1]" 1 3140 2 10 ILE H 2 10 ILE MG 3.487 2.271 4.703 3.384 3.319 3.441 . 0 0 "[ . 1]" 1 3141 1 48 PHE QD 1 56 ILE MG 4.428 2.467 6.389 4.678 4.472 5.000 . 0 0 "[ . 1]" 1 3142 2 48 PHE QD 2 56 ILE MG 4.428 2.467 6.389 4.678 4.471 4.999 . 0 0 "[ . 1]" 1 3143 1 21 ILE MG 1 23 GLU H 4.339 2.456 6.222 4.072 3.991 4.164 . 0 0 "[ . 1]" 1 3144 2 21 ILE MG 2 23 GLU H 4.339 2.456 6.222 4.073 3.992 4.165 . 0 0 "[ . 1]" 1 3145 1 12 ALA MB 1 15 VAL H 4.352 2.458 6.246 4.226 4.175 4.286 . 0 0 "[ . 1]" 1 3146 2 12 ALA MB 2 15 VAL H 4.352 2.458 6.246 4.226 4.175 4.287 . 0 0 "[ . 1]" 1 3147 1 8 GLU HB3 1 56 ILE MD 4.772 2.495 7.049 3.996 2.816 4.656 . 0 0 "[ . 1]" 1 3148 2 8 GLU HB3 2 56 ILE MD 4.772 2.495 7.049 3.996 2.812 4.654 . 0 0 "[ . 1]" 1 3149 1 27 ILE HA 1 27 ILE MD 3.417 2.249 4.585 3.170 2.896 3.317 . 0 0 "[ . 1]" 1 3150 1 46 PHE HA 2 27 ILE MD 3.417 2.249 4.585 3.177 2.893 3.318 . 0 0 "[ . 1]" 1 3151 1 27 ILE MD 1 28 SER HA 5.392 2.485 8.299 4.892 4.398 5.242 . 0 0 "[ . 1]" 1 3152 2 27 ILE MD 2 28 SER HA 5.392 2.485 8.299 4.893 4.410 5.240 . 0 0 "[ . 1]" 1 3153 1 62 PHE HB3 1 70 ILE MD 5.806 2.435 9.177 5.172 3.455 7.081 . 0 0 "[ . 1]" 1 3154 1 62 PHE HB3 2 70 ILE MD 5.806 2.435 9.177 5.175 3.460 7.079 . 0 0 "[ . 1]" 1 3155 1 40 ASP HA 1 50 ARG QG 5.701 2.450 8.952 3.651 3.262 4.273 . 0 0 "[ . 1]" 1 3156 2 40 ASP HA 2 50 ARG QG 5.701 2.450 8.952 3.651 3.263 4.274 . 0 0 "[ . 1]" 1 3157 1 13 LEU H 1 13 LEU MD2 4.075 2.415 5.735 3.643 3.452 3.713 . 0 0 "[ . 1]" 1 3158 2 13 LEU H 2 13 LEU MD2 4.075 2.415 5.735 3.642 3.450 3.712 . 0 0 "[ . 1]" 1 3159 1 13 LEU MD2 1 16 ASN HD22 4.866 2.499 7.233 3.849 3.511 4.463 . 0 0 "[ . 1]" 1 3160 2 13 LEU MD2 2 16 ASN HD22 4.866 2.499 7.233 3.849 3.507 4.457 . 0 0 "[ . 1]" 1 3161 1 6 SER HB2 1 9 GLU HB3 5.236 2.495 7.977 4.073 3.524 5.059 . 0 0 "[ . 1]" 1 3162 1 27 ILE HA 2 7 LYS HD2 5.236 2.495 7.977 4.072 3.534 5.071 . 0 0 "[ . 1]" 1 3163 1 15 VAL QG 1 19 SER H 4.872 2.498 7.246 4.319 4.228 4.419 . 0 0 "[ . 1]" 1 3164 2 15 VAL QG 2 19 SER H 4.872 2.498 7.246 4.319 4.228 4.418 . 0 0 "[ . 1]" 1 3165 1 15 VAL QG 1 19 SER H 4.651 2.488 6.814 4.510 4.457 4.576 . 0 0 "[ . 1]" 1 3166 2 15 VAL QG 2 19 SER H 4.651 2.488 6.814 4.511 4.457 4.575 . 0 0 "[ . 1]" 1 3167 1 19 SER H 1 22 VAL QG 4.779 2.495 7.063 3.946 3.887 4.044 . 0 0 "[ . 1]" 1 3168 2 19 SER H 2 22 VAL QG 4.779 2.495 7.063 3.946 3.888 4.041 . 0 0 "[ . 1]" 1 3169 1 16 ASN HA 1 19 SER H 3.480 2.269 4.691 3.128 3.053 3.198 . 0 0 "[ . 1]" 1 3170 2 16 ASN HA 2 19 SER H 3.480 2.269 4.691 3.128 3.054 3.196 . 0 0 "[ . 1]" 1 3171 1 15 VAL H 1 19 SER H 4.973 2.500 7.446 4.548 4.450 4.605 . 0 0 "[ . 1]" 1 3172 2 15 VAL H 2 19 SER H 4.973 2.500 7.446 4.548 4.449 4.606 . 0 0 "[ . 1]" 1 3173 1 22 VAL MG1 1 32 ALA H 3.673 2.324 5.022 3.833 3.795 3.877 . 0 0 "[ . 1]" 1 3174 1 45 ALA MB 2 32 ALA H 3.673 2.324 5.022 3.834 3.805 3.875 . 0 0 "[ . 1]" 1 3175 1 30 ASP HA 1 32 ALA H 4.088 2.417 5.759 4.286 4.219 4.359 . 0 0 "[ . 1]" 1 3176 2 30 ASP HA 2 32 ALA H 4.088 2.417 5.759 4.285 4.218 4.362 . 0 0 "[ . 1]" 1 3177 1 15 VAL QG 1 50 ARG H 5.159 2.498 7.820 4.215 4.055 4.341 . 0 0 "[ . 1]" 1 3178 2 15 VAL QG 2 50 ARG H 5.159 2.498 7.820 4.214 4.054 4.343 . 0 0 "[ . 1]" 1 3179 1 49 GLU HB2 1 50 ARG H 4.007 2.401 5.613 3.485 3.130 3.729 . 0 0 "[ . 1]" 1 3180 2 49 GLU HB2 2 50 ARG H 4.007 2.401 5.613 3.486 3.124 3.726 . 0 0 "[ . 1]" 1 3181 1 54 SER HB3 1 56 ILE H 4.665 2.488 6.842 4.787 4.479 4.915 . 0 0 "[ . 1]" 1 3182 2 54 SER HB3 2 56 ILE H 4.665 2.488 6.842 4.788 4.482 4.913 . 0 0 "[ . 1]" 1 3183 1 21 ILE MD 1 23 GLU H 4.729 2.493 6.965 4.690 4.612 4.850 . 0 0 "[ . 1]" 1 3184 2 21 ILE MD 2 23 GLU H 4.729 2.493 6.965 4.691 4.611 4.851 . 0 0 "[ . 1]" 1 3185 1 23 GLU H 1 24 LYS HB3 5.199 2.496 7.902 5.455 5.326 5.609 . 0 0 "[ . 1]" 1 3186 2 23 GLU H 2 24 LYS HB3 5.199 2.496 7.902 5.457 5.326 5.613 . 0 0 "[ . 1]" 1 3187 1 19 SER HB2 1 23 GLU H 4.746 2.493 6.999 4.946 4.844 5.059 . 0 0 "[ . 1]" 1 3188 2 19 SER HB2 2 23 GLU H 4.746 2.493 6.999 4.946 4.844 5.061 . 0 0 "[ . 1]" 1 3189 1 15 VAL QG 1 50 ARG HE 5.529 2.472 8.586 4.643 3.448 4.886 . 0 0 "[ . 1]" 1 3190 2 15 VAL QG 2 50 ARG HE 5.529 2.472 8.586 4.644 3.446 4.890 . 0 0 "[ . 1]" 1 3191 1 20 SER QB 1 21 ILE H 3.233 2.188 4.278 2.575 2.472 2.750 . 0 0 "[ . 1]" 1 3192 2 20 SER QB 2 21 ILE H 3.233 2.188 4.278 2.577 2.476 2.753 . 0 0 "[ . 1]" 1 3193 1 18 PHE HB3 1 21 ILE H 4.951 2.499 7.403 4.604 4.514 4.689 . 0 0 "[ . 1]" 1 3194 2 18 PHE HB3 2 21 ILE H 4.951 2.499 7.403 4.604 4.514 4.688 . 0 0 "[ . 1]" 1 3195 1 21 ILE H 1 21 ILE MD 3.249 2.193 4.305 3.051 2.972 3.108 . 0 0 "[ . 1]" 1 3196 2 21 ILE H 2 21 ILE MD 3.249 2.193 4.305 3.050 2.970 3.107 . 0 0 "[ . 1]" 1 3197 1 21 ILE H 1 22 VAL QG 3.788 2.353 5.223 3.677 3.602 3.720 . 0 0 "[ . 1]" 1 3198 2 21 ILE H 2 22 VAL QG 3.788 2.353 5.223 3.676 3.600 3.717 . 0 0 "[ . 1]" 1 3199 1 15 VAL QG 1 17 TYR H 4.475 2.473 6.477 4.084 4.023 4.149 . 0 0 "[ . 1]" 1 3200 2 15 VAL QG 2 17 TYR H 4.475 2.473 6.477 4.084 4.024 4.150 . 0 0 "[ . 1]" 1 3201 1 14 ILE MG 1 17 TYR H 4.494 2.474 6.514 4.387 4.275 4.486 . 0 0 "[ . 1]" 1 3202 2 14 ILE MG 2 17 TYR H 4.494 2.474 6.514 4.387 4.275 4.488 . 0 0 "[ . 1]" 1 3203 1 13 LEU H 1 13 LEU HA 2.353 . 2.907 2.503 2.487 2.527 . 0 0 "[ . 1]" 1 3204 2 13 LEU H 2 13 LEU HA 2.353 . 2.907 2.503 2.487 2.527 . 0 0 "[ . 1]" 1 3205 1 45 ALA H 1 46 PHE H 2.338 . 2.885 2.264 2.209 2.352 . 0 0 "[ . 1]" 1 3206 2 45 ALA H 2 46 PHE H 2.338 . 2.885 2.262 2.206 2.349 . 0 0 "[ . 1]" 1 3207 1 45 ALA H 1 48 PHE QD 4.519 2.477 6.561 3.783 3.635 3.852 . 0 0 "[ . 1]" 1 3208 1 35 LEU MD2 2 45 ALA H 4.519 2.477 6.561 3.781 3.628 3.853 . 0 0 "[ . 1]" 1 3209 1 45 ALA H 2 35 LEU MD2 4.780 2.495 7.065 3.564 3.492 3.697 . 0 0 "[ . 1]" 1 3210 1 35 LEU MD2 2 45 ALA H 4.780 2.495 7.065 3.562 3.495 3.685 . 0 0 "[ . 1]" 1 3211 1 13 LEU H 1 15 VAL H 3.831 2.363 5.299 3.706 3.644 3.740 . 0 0 "[ . 1]" 1 3212 1 35 LEU MD2 2 45 ALA H 3.831 2.363 5.299 3.704 3.639 3.742 . 0 0 "[ . 1]" 1 3213 1 11 ALA H 1 46 PHE HZ 4.374 2.460 6.288 4.999 4.773 5.214 . 0 0 "[ . 1]" 1 3214 2 11 ALA H 2 46 PHE HZ 4.374 2.460 6.288 5.000 4.774 5.214 . 0 0 "[ . 1]" 1 3215 1 9 GLU HA 1 13 LEU H 4.020 2.404 5.636 4.112 3.937 4.247 . 0 0 "[ . 1]" 1 3216 1 31 GLY HA2 2 45 ALA H 4.020 2.404 5.636 4.110 3.944 4.254 . 0 0 "[ . 1]" 1 3217 1 45 ALA H 1 46 PHE HB3 5.624 2.461 8.787 5.414 5.323 5.585 . 0 0 "[ . 1]" 1 3218 1 31 GLY HA3 2 45 ALA H 5.624 2.461 8.787 5.410 5.335 5.588 . 0 0 "[ . 1]" 1 3219 1 10 ILE HA 1 13 LEU H 2.884 2.052 3.716 3.042 2.921 3.129 . 0 0 "[ . 1]" 1 3220 2 10 ILE HA 2 13 LEU H 2.884 2.052 3.716 3.042 2.923 3.127 . 0 0 "[ . 1]" 1 3221 1 10 ILE MG 1 13 LEU H 3.577 2.298 4.856 4.198 4.138 4.258 . 0 0 "[ . 1]" 1 3222 1 27 ILE MD 2 45 ALA H 3.577 2.298 4.856 4.196 4.126 4.260 . 0 0 "[ . 1]" 1 3223 1 10 ILE MD 1 13 LEU H 4.153 2.429 5.877 4.425 4.129 4.781 . 0 0 "[ . 1]" 1 3224 2 10 ILE MD 2 13 LEU H 4.153 2.429 5.877 4.426 4.131 4.783 . 0 0 "[ . 1]" 1 3225 1 10 ILE MD 1 11 ALA H 4.099 2.419 5.779 3.736 3.562 3.904 . 0 0 "[ . 1]" 1 3226 2 10 ILE MD 2 11 ALA H 4.099 2.419 5.779 3.736 3.562 3.904 . 0 0 "[ . 1]" 1 3227 1 8 GLU HG3 1 11 ALA H 5.253 2.494 8.012 4.794 4.659 5.018 . 0 0 "[ . 1]" 1 3228 2 8 GLU HG3 2 11 ALA H 5.253 2.494 8.012 4.795 4.658 5.019 . 0 0 "[ . 1]" 1 3229 1 14 ILE H 1 14 ILE MG 3.973 2.394 5.552 3.557 3.511 3.616 . 0 0 "[ . 1]" 1 3230 2 14 ILE H 2 14 ILE MG 3.973 2.394 5.552 3.557 3.511 3.617 . 0 0 "[ . 1]" 1 3231 1 13 LEU HB2 1 14 ILE H 3.540 2.287 4.793 2.196 2.071 2.283 0.216 6 0 "[ . 1]" 1 3232 2 13 LEU HB2 2 14 ILE H 3.540 2.287 4.793 2.197 2.075 2.287 0.212 6 0 "[ . 1]" 1 3233 1 41 CYS HA 1 45 ALA H 3.657 2.320 4.994 3.468 3.329 3.669 . 0 0 "[ . 1]" 1 3234 2 41 CYS HA 2 45 ALA H 3.657 2.320 4.994 3.468 3.332 3.665 . 0 0 "[ . 1]" 1 3235 1 35 LEU HG 1 36 ASN H 3.815 2.359 5.271 3.944 3.921 3.969 . 0 0 "[ . 1]" 1 3236 2 35 LEU HG 2 36 ASN H 3.815 2.359 5.271 3.943 3.920 3.969 . 0 0 "[ . 1]" 1 3237 1 33 ASP H 1 36 ASN H 4.843 2.498 7.188 4.125 4.106 4.158 . 0 0 "[ . 1]" 1 3238 2 33 ASP H 2 36 ASN H 4.843 2.498 7.188 4.125 4.108 4.159 . 0 0 "[ . 1]" 1 3239 1 34 SER H 1 36 ASN H 4.173 2.431 5.915 3.790 3.735 3.866 . 0 0 "[ . 1]" 1 3240 2 34 SER H 2 36 ASN H 4.173 2.431 5.915 3.791 3.740 3.870 . 0 0 "[ . 1]" 1 3241 1 35 LEU MD2 1 36 ASN H 4.596 2.484 6.708 4.175 4.155 4.185 . 0 0 "[ . 1]" 1 3242 2 35 LEU MD2 2 36 ASN H 4.596 2.484 6.708 4.175 4.155 4.185 . 0 0 "[ . 1]" 1 3243 1 27 ILE HG12 1 29 GLU H 4.137 2.425 5.849 4.279 4.128 4.385 . 0 0 "[ . 1]" 1 3244 2 27 ILE HG12 2 29 GLU H 4.137 2.425 5.849 4.278 4.130 4.381 . 0 0 "[ . 1]" 1 3245 1 28 SER H 1 29 GLU H 3.918 2.383 5.453 3.967 3.911 4.027 . 0 0 "[ . 1]" 1 3246 2 28 SER H 2 29 GLU H 3.918 2.383 5.453 3.970 3.907 4.027 . 0 0 "[ . 1]" 1 3247 1 7 LYS H 1 10 ILE MD 5.273 2.492 8.054 4.366 3.957 4.781 . 0 0 "[ . 1]" 1 3248 2 7 LYS H 2 10 ILE MD 5.273 2.492 8.054 4.365 3.954 4.781 . 0 0 "[ . 1]" 1 3249 1 8 GLU H 1 8 GLU HG3 4.350 2.458 6.242 4.003 3.271 4.186 . 0 0 "[ . 1]" 1 3250 2 8 GLU H 2 8 GLU HG3 4.350 2.458 6.242 4.002 3.263 4.186 . 0 0 "[ . 1]" 1 3251 1 8 GLU H 1 10 ILE QG 5.181 2.497 7.865 4.658 4.321 5.010 . 0 0 "[ . 1]" 1 3252 2 8 GLU H 2 10 ILE QG 5.181 2.497 7.865 4.657 4.321 5.012 . 0 0 "[ . 1]" 1 3253 1 6 SER HB3 1 8 GLU H 3.689 2.328 5.050 3.018 2.675 3.413 . 0 0 "[ . 1]" 1 3254 2 6 SER HB3 2 8 GLU H 3.689 2.328 5.050 3.019 2.668 3.414 . 0 0 "[ . 1]" 1 3255 1 38 ALA HA 1 42 ILE H 3.853 2.369 5.337 4.031 3.940 4.152 . 0 0 "[ . 1]" 1 3256 1 38 ALA HA 2 42 ILE H 3.853 2.369 5.337 4.031 3.933 4.154 . 0 0 "[ . 1]" 1 3257 1 42 ILE H 1 42 ILE MD 3.324 2.219 4.429 3.227 3.169 3.252 . 0 0 "[ . 1]" 1 3258 2 42 ILE H 2 42 ILE MD 3.324 2.219 4.429 3.226 3.169 3.253 . 0 0 "[ . 1]" 1 3259 1 14 ILE MD 1 42 ILE H 5.221 2.495 7.947 6.556 6.494 6.642 . 0 0 "[ . 1]" 1 3260 1 35 LEU MD1 2 42 ILE H 5.221 2.495 7.947 6.553 6.493 6.643 . 0 0 "[ . 1]" 1 3261 1 6 SER H 1 10 ILE MD 4.270 2.447 6.093 3.625 3.002 4.273 . 0 0 "[ . 1]" 1 3262 2 6 SER H 2 10 ILE MD 4.270 2.447 6.093 3.624 3.002 4.275 . 0 0 "[ . 1]" 1 3263 1 13 LEU MD2 1 16 ASN H 4.647 2.487 6.807 4.827 4.562 5.189 . 0 0 "[ . 1]" 1 3264 2 13 LEU MD2 2 16 ASN H 4.647 2.487 6.807 4.827 4.562 5.191 . 0 0 "[ . 1]" 1 3265 1 14 ILE MG 1 16 ASN H 3.601 2.304 4.898 4.218 4.007 4.384 . 0 0 "[ . 1]" 1 3266 2 14 ILE MG 2 16 ASN H 3.601 2.304 4.898 4.218 4.008 4.385 . 0 0 "[ . 1]" 1 3267 1 14 ILE HB 1 16 ASN H 4.360 2.459 6.261 4.110 4.002 4.237 . 0 0 "[ . 1]" 1 3268 2 14 ILE HB 2 16 ASN H 4.360 2.459 6.261 4.111 4.002 4.237 . 0 0 "[ . 1]" 1 3269 1 37 VAL HA 1 41 CYS H 3.334 2.223 4.445 3.328 3.264 3.374 . 0 0 "[ . 1]" 1 3270 2 37 VAL HA 2 41 CYS H 3.334 2.223 4.445 3.329 3.263 3.376 . 0 0 "[ . 1]" 1 3271 1 17 TYR H 1 18 PHE H 2.735 . 3.483 2.422 2.383 2.457 . 0 0 "[ . 1]" 1 3272 2 17 TYR H 2 18 PHE H 2.735 . 3.483 2.421 2.383 2.456 . 0 0 "[ . 1]" 1 3273 1 18 PHE H 1 35 LEU MD2 5.037 2.499 7.575 4.451 4.297 4.631 . 0 0 "[ . 1]" 1 3274 2 18 PHE H 2 35 LEU MD2 5.037 2.499 7.575 4.451 4.296 4.630 . 0 0 "[ . 1]" 1 3275 1 37 VAL MG2 1 41 CYS H 4.247 2.444 6.050 4.420 4.276 4.597 . 0 0 "[ . 1]" 1 3276 1 37 VAL MG2 2 41 CYS H 4.247 2.444 6.050 4.422 4.267 4.601 . 0 0 "[ . 1]" 1 3277 1 15 VAL QG 1 18 PHE H 4.488 2.473 6.503 4.094 4.029 4.164 . 0 0 "[ . 1]" 1 3278 2 15 VAL QG 2 18 PHE H 4.488 2.473 6.503 4.094 4.030 4.161 . 0 0 "[ . 1]" 1 3279 1 18 PHE H 2 42 ILE MG 4.728 2.493 6.963 5.015 4.956 5.056 . 0 0 "[ . 1]" 1 3280 1 42 ILE MG 2 18 PHE H 4.728 2.493 6.963 5.016 4.956 5.056 . 0 0 "[ . 1]" 1 3281 1 38 ALA MB 1 41 CYS H 3.785 2.352 5.218 3.855 3.740 3.953 . 0 0 "[ . 1]" 1 3282 1 38 ALA MB 2 41 CYS H 3.785 2.352 5.218 3.852 3.730 3.948 . 0 0 "[ . 1]" 1 3283 1 18 PHE H 1 35 LEU MD1 4.608 2.484 6.732 4.204 4.063 4.351 . 0 0 "[ . 1]" 1 3284 1 14 ILE MD 2 18 PHE H 4.608 2.484 6.732 4.204 4.057 4.363 . 0 0 "[ . 1]" 1 3285 1 35 LEU HA 1 38 ALA H 2.402 . 2.979 2.658 2.635 2.675 . 0 0 "[ . 1]" 1 3286 2 35 LEU HA 2 38 ALA H 2.402 . 2.979 2.658 2.636 2.677 . 0 0 "[ . 1]" 1 3287 1 38 ALA H 1 39 MET HB3 4.570 2.481 6.659 5.147 5.056 5.227 . 0 0 "[ . 1]" 1 3288 1 42 ILE HG13 2 38 ALA H 4.570 2.481 6.659 5.145 5.054 5.246 . 0 0 "[ . 1]" 1 3289 1 49 GLU H 1 49 GLU HB2 2.367 . 2.927 2.399 2.270 2.446 . 0 0 "[ . 1]" 1 3290 2 49 GLU H 2 49 GLU HB2 2.367 . 2.927 2.398 2.262 2.450 . 0 0 "[ . 1]" 1 3291 1 15 VAL QG 1 18 PHE H 4.602 2.484 6.720 4.067 3.989 4.188 . 0 0 "[ . 1]" 1 3292 2 15 VAL QG 2 18 PHE H 4.602 2.484 6.720 4.067 3.989 4.187 . 0 0 "[ . 1]" 1 3293 1 8 GLU HB3 1 10 ILE H 4.739 2.493 6.985 4.451 4.343 4.675 . 0 0 "[ . 1]" 1 3294 2 8 GLU HB3 2 10 ILE H 4.739 2.493 6.985 4.451 4.342 4.674 . 0 0 "[ . 1]" 1 3295 1 15 VAL QG 1 20 SER H 5.488 2.476 8.500 5.330 5.264 5.393 . 0 0 "[ . 1]" 1 3296 2 15 VAL QG 2 20 SER H 5.488 2.476 8.500 5.328 5.261 5.386 . 0 0 "[ . 1]" 1 3297 1 20 SER H 1 21 ILE MD 4.815 2.496 7.134 4.798 4.696 4.896 . 0 0 "[ . 1]" 1 3298 2 20 SER H 2 21 ILE MD 4.815 2.496 7.134 4.796 4.692 4.886 . 0 0 "[ . 1]" 1 3299 1 20 SER H 1 21 ILE HB 4.270 2.446 6.094 4.519 4.433 4.700 . 0 0 "[ . 1]" 1 3300 2 20 SER H 2 21 ILE HB 4.270 2.446 6.094 4.517 4.429 4.691 . 0 0 "[ . 1]" 1 3301 1 20 SER H 1 24 LYS QE 5.547 2.470 8.624 4.929 4.304 5.296 . 0 0 "[ . 1]" 1 3302 2 20 SER H 2 24 LYS QE 5.547 2.470 8.624 4.929 4.305 5.296 . 0 0 "[ . 1]" 1 3303 1 19 SER HA 1 20 SER H 2.464 . 3.071 2.451 2.392 2.482 . 0 0 "[ . 1]" 1 3304 2 19 SER HA 2 20 SER H 2.464 . 3.071 2.450 2.389 2.486 . 0 0 "[ . 1]" 1 3305 1 16 ASN HA 1 20 SER H 3.826 2.362 5.290 3.709 3.634 3.765 . 0 0 "[ . 1]" 1 3306 2 16 ASN HA 2 20 SER H 3.826 2.362 5.290 3.709 3.630 3.765 . 0 0 "[ . 1]" 1 3307 1 57 LEU H 1 57 LEU QD 4.370 2.460 6.280 2.955 2.739 3.088 . 0 0 "[ . 1]" 1 3308 2 57 LEU H 2 57 LEU QD 4.370 2.460 6.280 2.956 2.741 3.090 . 0 0 "[ . 1]" 1 3309 1 27 ILE HG12 1 30 ASP H 4.482 2.473 6.491 4.437 4.215 4.591 . 0 0 "[ . 1]" 1 3310 2 27 ILE HG12 2 30 ASP H 4.482 2.473 6.491 4.436 4.214 4.590 . 0 0 "[ . 1]" 1 3311 1 22 VAL H 1 22 VAL QG 2.022 . 2.431 1.903 1.891 1.922 . 0 0 "[ . 1]" 1 3312 2 22 VAL H 2 22 VAL QG 2.022 . 2.431 1.903 1.890 1.921 . 0 0 "[ . 1]" 1 3313 1 22 VAL H 1 27 ILE HB 4.627 2.486 6.768 5.147 5.007 5.218 . 0 0 "[ . 1]" 1 3314 2 22 VAL H 2 27 ILE HB 4.627 2.486 6.768 5.147 5.009 5.217 . 0 0 "[ . 1]" 1 3315 1 22 VAL MG1 1 33 ASP H 4.000 2.400 5.600 4.377 4.330 4.455 . 0 0 "[ . 1]" 1 3316 2 22 VAL MG1 2 33 ASP H 4.000 2.400 5.600 4.377 4.330 4.455 . 0 0 "[ . 1]" 1 3317 1 9 GLU H 1 48 PHE QD 5.676 2.454 8.898 5.500 4.455 6.089 . 0 0 "[ . 1]" 1 3318 2 9 GLU H 2 48 PHE QD 5.676 2.454 8.898 5.501 4.455 6.089 . 0 0 "[ . 1]" 1 3319 1 8 GLU HB3 1 9 GLU H 3.037 2.115 3.959 2.542 2.215 3.148 . 0 0 "[ . 1]" 1 3320 2 8 GLU HB3 2 9 GLU H 3.037 2.115 3.959 2.541 2.214 3.150 . 0 0 "[ . 1]" 1 3321 1 9 GLU H 1 10 ILE QG 3.793 2.355 5.231 3.442 3.128 3.683 . 0 0 "[ . 1]" 1 3322 2 9 GLU H 2 10 ILE QG 3.793 2.355 5.231 3.442 3.129 3.683 . 0 0 "[ . 1]" 1 3323 1 53 VAL H 1 54 SER HA 5.018 2.500 7.536 5.324 5.254 5.383 . 0 0 "[ . 1]" 1 3324 2 53 VAL H 2 54 SER HA 5.018 2.500 7.536 5.325 5.256 5.382 . 0 0 "[ . 1]" 1 3325 1 42 ILE MG 1 44 GLU H 3.931 2.386 5.476 4.085 4.050 4.150 . 0 0 "[ . 1]" 1 3326 2 42 ILE MG 2 44 GLU H 3.931 2.386 5.476 4.086 4.051 4.155 . 0 0 "[ . 1]" 1 3327 1 65 GLN HA 1 70 ILE H 5.825 2.432 9.218 6.150 4.978 8.017 . 0 0 "[ . 1]" 1 3328 2 65 GLN HA 2 70 ILE H 5.825 2.432 9.218 6.149 4.980 8.018 . 0 0 "[ . 1]" 1 3329 1 32 ALA MB 1 34 SER H 3.801 2.356 5.246 3.974 3.924 4.054 . 0 0 "[ . 1]" 1 3330 2 32 ALA MB 2 34 SER H 3.801 2.356 5.246 3.974 3.922 4.058 . 0 0 "[ . 1]" 1 3331 1 34 SER H 1 35 LEU HB2 3.871 2.372 5.370 3.938 3.877 4.020 . 0 0 "[ . 1]" 1 3332 1 45 ALA MB 2 34 SER H 3.871 2.372 5.370 3.939 3.887 4.001 . 0 0 "[ . 1]" 1 3333 1 31 GLY H 1 34 SER H 4.470 2.472 6.468 4.421 4.381 4.498 . 0 0 "[ . 1]" 1 3334 2 31 GLY H 2 34 SER H 4.470 2.472 6.468 4.421 4.385 4.498 . 0 0 "[ . 1]" 1 3335 1 34 SER H 1 35 LEU MD2 4.739 2.493 6.985 4.517 4.496 4.547 . 0 0 "[ . 1]" 1 3336 2 34 SER H 2 35 LEU MD2 4.739 2.493 6.985 4.517 4.495 4.550 . 0 0 "[ . 1]" 1 3337 1 22 VAL QG 1 26 GLU H 4.529 2.478 6.580 4.897 4.752 5.070 . 0 0 "[ . 1]" 1 3338 2 22 VAL QG 2 26 GLU H 4.529 2.478 6.580 4.897 4.751 5.067 . 0 0 "[ . 1]" 1 3339 1 24 LYS HB2 1 26 GLU H 3.148 2.157 4.139 3.179 2.931 3.529 . 0 0 "[ . 1]" 1 3340 2 24 LYS HB2 2 26 GLU H 3.148 2.157 4.139 3.179 2.929 3.533 . 0 0 "[ . 1]" 1 3341 1 24 LYS HG3 1 26 GLU H 4.240 2.442 6.038 4.636 4.494 4.763 . 0 0 "[ . 1]" 1 3342 2 24 LYS HG3 2 26 GLU H 4.240 2.442 6.038 4.636 4.495 4.761 . 0 0 "[ . 1]" 1 3343 1 22 VAL QG 1 25 LYS H 4.124 2.424 5.824 4.314 4.262 4.367 . 0 0 "[ . 1]" 1 3344 2 22 VAL QG 2 25 LYS H 4.124 2.424 5.824 4.315 4.262 4.367 . 0 0 "[ . 1]" 1 3345 1 23 GLU HB2 1 25 LYS H 3.820 2.360 5.280 4.033 3.539 4.322 . 0 0 "[ . 1]" 1 3346 2 23 GLU HB2 2 25 LYS H 3.820 2.360 5.280 4.034 3.543 4.329 . 0 0 "[ . 1]" 1 3347 1 24 LYS HB2 1 25 LYS H 3.107 2.142 4.072 3.082 3.000 3.144 . 0 0 "[ . 1]" 1 3348 2 24 LYS HB2 2 25 LYS H 3.107 2.142 4.072 3.082 3.000 3.141 . 0 0 "[ . 1]" 1 3349 1 21 ILE MD 1 24 LYS H 4.557 2.480 6.634 4.475 4.374 4.711 . 0 0 "[ . 1]" 1 3350 2 21 ILE MD 2 24 LYS H 4.557 2.480 6.634 4.474 4.376 4.711 . 0 0 "[ . 1]" 1 3351 1 35 LEU MD1 1 39 MET H 4.966 2.500 7.432 5.972 5.895 6.054 . 0 0 "[ . 1]" 1 3352 1 14 ILE MD 2 39 MET H 4.966 2.500 7.432 5.972 5.897 6.055 . 0 0 "[ . 1]" 1 3353 1 35 LEU HA 1 39 MET H 3.169 2.165 4.173 3.290 3.254 3.323 . 0 0 "[ . 1]" 1 3354 2 35 LEU HA 2 39 MET H 3.169 2.165 4.173 3.290 3.254 3.323 . 0 0 "[ . 1]" 1 3355 1 15 VAL HA 1 39 MET H 5.737 2.445 9.029 4.780 4.682 4.913 . 0 0 "[ . 1]" 1 3356 2 15 VAL HA 2 39 MET H 5.737 2.445 9.029 4.781 4.683 4.911 . 0 0 "[ . 1]" 1 3357 1 35 LEU MD2 1 39 MET H 4.441 2.468 6.414 4.097 4.053 4.166 . 0 0 "[ . 1]" 1 3358 2 35 LEU MD2 2 39 MET H 4.441 2.468 6.414 4.097 4.053 4.166 . 0 0 "[ . 1]" 1 3359 1 18 PHE QD 1 39 MET H 5.020 2.500 7.540 4.232 4.124 4.321 . 0 0 "[ . 1]" 1 3360 2 18 PHE QD 2 39 MET H 5.020 2.500 7.540 4.233 4.123 4.323 . 0 0 "[ . 1]" 1 3361 1 22 VAL MG1 1 27 ILE H 3.467 2.265 4.669 4.252 4.150 4.373 . 0 0 "[ . 1]" 1 3362 2 22 VAL MG1 2 27 ILE H 3.467 2.265 4.669 4.252 4.151 4.375 . 0 0 "[ . 1]" 1 3363 1 27 ILE H 1 27 ILE HG12 3.444 2.258 4.630 3.904 3.781 4.059 . 0 0 "[ . 1]" 1 3364 2 27 ILE H 2 27 ILE HG12 3.444 2.258 4.630 3.905 3.780 4.059 . 0 0 "[ . 1]" 1 3365 1 26 GLU HB3 1 27 ILE H 3.783 2.352 5.214 3.802 3.649 3.890 . 0 0 "[ . 1]" 1 3366 2 26 GLU HB3 2 27 ILE H 3.783 2.352 5.214 3.803 3.647 3.892 . 0 0 "[ . 1]" 1 3367 1 21 ILE HA 1 27 ILE H 4.537 2.479 6.595 4.878 4.626 5.179 . 0 0 "[ . 1]" 1 3368 2 21 ILE HA 2 27 ILE H 4.537 2.479 6.595 4.878 4.623 5.180 . 0 0 "[ . 1]" 1 3369 1 16 ASN HD22 1 20 SER HB2 4.840 2.497 7.183 5.017 4.494 5.884 . 0 0 "[ . 1]" 1 3370 2 16 ASN HD22 2 20 SER HB2 4.840 2.497 7.183 5.015 4.496 5.887 . 0 0 "[ . 1]" 1 3371 1 16 ASN HA 1 16 ASN HD22 4.414 2.465 6.363 4.029 2.709 4.661 . 0 0 "[ . 1]" 1 3372 2 16 ASN HA 2 16 ASN HD22 4.414 2.465 6.363 4.030 2.707 4.660 . 0 0 "[ . 1]" 1 3373 1 16 ASN HD21 1 20 SER HB2 5.148 2.497 7.799 5.432 5.029 5.966 . 0 0 "[ . 1]" 1 3374 2 16 ASN HD21 2 20 SER HB2 5.148 2.497 7.799 5.432 5.028 5.967 . 0 0 "[ . 1]" 1 3375 1 33 ASP HA 1 36 ASN HD22 4.147 2.428 5.866 3.476 3.336 3.649 . 0 0 "[ . 1]" 1 3376 2 33 ASP HA 2 36 ASN HD22 4.147 2.428 5.866 3.478 3.341 3.655 . 0 0 "[ . 1]" 1 3377 1 55 GLY H 1 56 ILE HB 5.084 2.499 7.669 4.906 4.835 4.978 . 0 0 "[ . 1]" 1 3378 2 55 GLY H 2 56 ILE HB 5.084 2.499 7.669 4.904 4.834 4.971 . 0 0 "[ . 1]" 1 3379 1 65 GLN HE21 1 68 ALA MB 6.479 2.282 10.676 7.823 4.208 9.686 . 0 0 "[ . 1]" 1 3380 1 68 ALA MB 2 65 GLN HE21 6.479 2.282 10.676 7.822 4.208 9.676 . 0 0 "[ . 1]" 1 3381 1 14 ILE MG 1 65 GLN HE21 5.445 2.481 8.409 6.527 5.077 8.354 . 0 0 "[ . 1]" 1 3382 1 57 LEU MD1 2 65 GLN HE21 5.445 2.481 8.409 6.528 5.080 8.355 . 0 0 "[ . 1]" 1 3383 1 27 ILE HG13 1 31 GLY H 4.429 2.467 6.391 4.455 4.344 4.574 . 0 0 "[ . 1]" 1 3384 1 45 ALA MB 2 31 GLY H 4.429 2.467 6.391 4.455 4.355 4.568 . 0 0 "[ . 1]" 1 3385 1 73 SER HA 1 74 ALA H 3.039 2.115 3.963 2.312 1.961 2.752 0.154 5 0 "[ . 1]" 1 3386 2 73 SER HA 2 74 ALA H 3.039 2.115 3.963 2.314 1.965 2.752 0.150 5 0 "[ . 1]" 1 3387 1 44 GLU HA 1 46 PHE H 4.451 2.470 6.432 4.111 3.948 4.196 . 0 0 "[ . 1]" 1 3388 2 44 GLU HA 2 46 PHE H 4.451 2.470 6.432 4.108 3.944 4.190 . 0 0 "[ . 1]" 1 3389 1 46 PHE H 1 48 PHE H 4.314 2.453 6.175 3.777 3.722 3.870 . 0 0 "[ . 1]" 1 3390 1 35 LEU MD2 2 46 PHE H 4.314 2.453 6.175 3.774 3.726 3.870 . 0 0 "[ . 1]" 1 3391 1 59 LYS QG 1 60 SER H 5.842 2.429 9.255 3.928 3.089 4.333 . 0 0 "[ . 1]" 1 3392 2 59 LYS QG 2 60 SER H 5.842 2.429 9.255 3.926 3.083 4.333 . 0 0 "[ . 1]" 1 3393 1 16 ASN HD22 1 72 ASN HD21 3.614 2.308 4.920 3.960 2.325 5.030 0.110 6 0 "[ . 1]" 1 3394 2 16 ASN HD22 2 72 ASN HD21 3.614 2.308 4.920 3.961 2.324 5.031 0.111 6 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 100 _Distance_constraint_stats_list.Viol_count 90 _Distance_constraint_stats_list.Viol_total 14.821 _Distance_constraint_stats_list.Viol_max 0.063 _Distance_constraint_stats_list.Viol_rms 0.0062 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0015 _Distance_constraint_stats_list.Viol_average_violations_only 0.0165 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 7 LYS 0.000 0.000 . 0 "[ . 1]" 1 8 GLU 0.020 0.020 10 0 "[ . 1]" 1 9 GLU 0.068 0.041 3 0 "[ . 1]" 1 10 ILE 0.112 0.034 5 0 "[ . 1]" 1 11 ALA 0.000 0.000 . 0 "[ . 1]" 1 12 ALA 0.020 0.020 10 0 "[ . 1]" 1 13 LEU 0.145 0.041 3 0 "[ . 1]" 1 14 ILE 0.149 0.034 5 0 "[ . 1]" 1 15 VAL 0.001 0.001 8 0 "[ . 1]" 1 16 ASN 0.010 0.006 2 0 "[ . 1]" 1 17 TYR 0.091 0.033 2 0 "[ . 1]" 1 18 PHE 0.038 0.024 2 0 "[ . 1]" 1 19 SER 0.001 0.001 8 0 "[ . 1]" 1 20 SER 0.010 0.006 2 0 "[ . 1]" 1 21 ILE 0.013 0.013 6 0 "[ . 1]" 1 29 GLU 0.000 0.000 . 0 "[ . 1]" 1 30 ASP 0.034 0.018 2 0 "[ . 1]" 1 31 GLY 0.000 0.000 . 0 "[ . 1]" 1 32 ALA 0.003 0.003 1 0 "[ . 1]" 1 33 ASP 0.000 0.000 . 0 "[ . 1]" 1 34 SER 0.049 0.018 2 0 "[ . 1]" 1 35 LEU 0.026 0.013 9 0 "[ . 1]" 1 36 ASN 0.014 0.009 10 0 "[ . 1]" 1 37 VAL 0.000 0.000 . 0 "[ . 1]" 1 38 ALA 0.015 0.011 6 0 "[ . 1]" 1 39 MET 0.104 0.047 2 0 "[ . 1]" 1 40 ASP 0.057 0.025 3 0 "[ . 1]" 1 41 CYS 0.098 0.063 3 0 "[ . 1]" 1 42 ILE 0.086 0.033 3 0 "[ . 1]" 1 43 SER 0.078 0.047 2 0 "[ . 1]" 1 44 GLU 0.046 0.025 3 0 "[ . 1]" 1 45 ALA 0.098 0.063 3 0 "[ . 1]" 1 46 PHE 0.086 0.033 3 0 "[ . 1]" 2 7 LYS 0.000 0.000 . 0 "[ . 1]" 2 8 GLU 0.018 0.018 10 0 "[ . 1]" 2 9 GLU 0.073 0.044 3 0 "[ . 1]" 2 10 ILE 0.115 0.035 5 0 "[ . 1]" 2 11 ALA 0.000 0.000 . 0 "[ . 1]" 2 12 ALA 0.018 0.018 10 0 "[ . 1]" 2 13 LEU 0.145 0.044 3 0 "[ . 1]" 2 14 ILE 0.152 0.035 5 0 "[ . 1]" 2 15 VAL 0.002 0.002 8 0 "[ . 1]" 2 16 ASN 0.015 0.008 2 0 "[ . 1]" 2 17 TYR 0.083 0.029 10 0 "[ . 1]" 2 18 PHE 0.037 0.024 2 0 "[ . 1]" 2 19 SER 0.002 0.002 8 0 "[ . 1]" 2 20 SER 0.015 0.008 2 0 "[ . 1]" 2 21 ILE 0.011 0.011 6 0 "[ . 1]" 2 29 GLU 0.000 0.000 . 0 "[ . 1]" 2 30 ASP 0.040 0.020 2 0 "[ . 1]" 2 31 GLY 0.000 0.000 . 0 "[ . 1]" 2 32 ALA 0.005 0.005 1 0 "[ . 1]" 2 33 ASP 0.000 0.000 . 0 "[ . 1]" 2 34 SER 0.062 0.020 2 0 "[ . 1]" 2 35 LEU 0.022 0.011 9 0 "[ . 1]" 2 36 ASN 0.021 0.013 10 0 "[ . 1]" 2 37 VAL 0.000 0.000 . 0 "[ . 1]" 2 38 ALA 0.022 0.010 6 0 "[ . 1]" 2 39 MET 0.099 0.045 2 0 "[ . 1]" 2 40 ASP 0.057 0.024 3 0 "[ . 1]" 2 41 CYS 0.092 0.059 3 0 "[ . 1]" 2 42 ILE 0.089 0.034 3 0 "[ . 1]" 2 43 SER 0.078 0.045 2 0 "[ . 1]" 2 44 GLU 0.041 0.024 3 0 "[ . 1]" 2 45 ALA 0.092 0.059 3 0 "[ . 1]" 2 46 PHE 0.089 0.034 3 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 LYS O 1 11 ALA H 2.000 . 2.300 1.930 1.862 1.987 . 0 0 "[ . 1]" 2 2 1 7 LYS O 1 11 ALA N 3.000 2.800 3.300 2.876 2.823 2.923 . 0 0 "[ . 1]" 2 3 1 8 GLU O 1 12 ALA H 2.000 . 2.300 2.055 1.871 2.148 . 0 0 "[ . 1]" 2 4 1 8 GLU O 1 12 ALA N 3.000 2.800 3.300 2.970 2.780 3.091 0.020 10 0 "[ . 1]" 2 5 1 9 GLU O 1 13 LEU H 2.000 . 2.300 2.257 2.138 2.341 0.041 3 0 "[ . 1]" 2 6 1 9 GLU O 1 13 LEU N 3.000 2.800 3.300 3.202 3.096 3.280 . 0 0 "[ . 1]" 2 7 1 10 ILE O 1 14 ILE H 2.000 . 2.300 1.879 1.844 2.005 . 0 0 "[ . 1]" 2 8 1 10 ILE O 1 14 ILE N 3.000 2.800 3.300 2.803 2.766 2.913 0.034 5 0 "[ . 1]" 2 9 1 11 ALA O 1 15 VAL H 2.000 . 2.300 1.918 1.872 1.956 . 0 0 "[ . 1]" 2 10 1 11 ALA O 1 15 VAL N 3.000 2.800 3.300 2.895 2.849 2.937 . 0 0 "[ . 1]" 2 11 1 12 ALA O 1 16 ASN H 2.000 . 2.300 2.061 1.971 2.134 . 0 0 "[ . 1]" 2 12 1 12 ALA O 1 16 ASN N 3.000 2.800 3.300 2.991 2.878 3.073 . 0 0 "[ . 1]" 2 13 1 13 LEU O 1 17 TYR H 2.000 . 2.300 2.050 1.910 2.333 0.033 2 0 "[ . 1]" 2 14 1 13 LEU O 1 17 TYR N 3.000 2.800 3.300 2.891 2.770 3.131 0.030 10 0 "[ . 1]" 2 15 1 14 ILE O 1 18 PHE H 2.000 . 2.300 2.212 2.080 2.324 0.024 2 0 "[ . 1]" 2 16 1 14 ILE O 1 18 PHE N 3.000 2.800 3.300 3.168 3.035 3.266 . 0 0 "[ . 1]" 2 17 1 15 VAL O 1 19 SER H 2.000 . 2.300 1.953 1.897 2.062 . 0 0 "[ . 1]" 2 18 1 15 VAL O 1 19 SER N 3.000 2.800 3.300 2.873 2.799 2.962 0.001 8 0 "[ . 1]" 2 19 1 16 ASN O 1 20 SER H 2.000 . 2.300 2.123 1.927 2.306 0.006 2 0 "[ . 1]" 2 20 1 16 ASN O 1 20 SER N 3.000 2.800 3.300 2.979 2.895 3.110 . 0 0 "[ . 1]" 2 21 1 17 TYR O 1 21 ILE H 2.000 . 2.300 1.974 1.843 2.177 . 0 0 "[ . 1]" 2 22 1 17 TYR O 1 21 ILE N 3.000 2.800 3.300 2.882 2.787 3.001 0.013 6 0 "[ . 1]" 2 23 1 29 GLU O 1 33 ASP H 2.000 . 2.300 2.028 1.868 2.119 . 0 0 "[ . 1]" 2 24 1 29 GLU O 1 33 ASP N 3.000 2.800 3.300 2.977 2.838 3.068 . 0 0 "[ . 1]" 2 25 1 30 ASP O 1 34 SER H 2.000 . 2.300 2.167 1.977 2.318 0.018 2 0 "[ . 1]" 2 26 1 30 ASP O 1 34 SER N 3.000 2.800 3.300 3.080 2.899 3.261 . 0 0 "[ . 1]" 2 27 1 31 GLY O 1 35 LEU H 2.000 . 2.300 2.027 1.917 2.125 . 0 0 "[ . 1]" 2 28 1 31 GLY O 1 35 LEU N 3.000 2.800 3.300 2.874 2.807 2.949 . 0 0 "[ . 1]" 2 29 1 32 ALA O 1 36 ASN H 2.000 . 2.300 1.962 1.884 2.033 . 0 0 "[ . 1]" 2 30 1 32 ALA O 1 36 ASN N 3.000 2.800 3.300 2.845 2.797 2.902 0.003 1 0 "[ . 1]" 2 31 1 33 ASP O 1 37 VAL H 2.000 . 2.300 2.063 2.021 2.107 . 0 0 "[ . 1]" 2 32 1 33 ASP O 1 37 VAL N 3.000 2.800 3.300 3.025 2.980 3.071 . 0 0 "[ . 1]" 2 33 1 34 SER O 1 38 ALA H 2.000 . 2.300 2.222 2.048 2.311 0.011 6 0 "[ . 1]" 2 34 1 34 SER O 1 38 ALA N 3.000 2.800 3.300 3.052 2.918 3.139 . 0 0 "[ . 1]" 2 35 1 35 LEU O 1 39 MET H 2.000 . 2.300 1.853 1.808 1.935 . 0 0 "[ . 1]" 2 36 1 35 LEU O 1 39 MET N 3.000 2.800 3.300 2.824 2.787 2.895 0.013 9 0 "[ . 1]" 2 37 1 36 ASN O 1 40 ASP H 2.000 . 2.300 2.215 2.096 2.309 0.009 10 0 "[ . 1]" 2 38 1 36 ASN O 1 40 ASP N 3.000 2.800 3.300 3.125 2.999 3.233 . 0 0 "[ . 1]" 2 39 1 37 VAL O 1 41 CYS H 2.000 . 2.300 2.127 1.973 2.260 . 0 0 "[ . 1]" 2 40 1 37 VAL O 1 41 CYS N 3.000 2.800 3.300 3.042 2.919 3.119 . 0 0 "[ . 1]" 2 41 1 38 ALA O 1 42 ILE H 2.000 . 2.300 1.989 1.914 2.093 . 0 0 "[ . 1]" 2 42 1 38 ALA O 1 42 ILE N 3.000 2.800 3.300 2.907 2.834 2.976 . 0 0 "[ . 1]" 2 43 1 39 MET O 1 43 SER H 2.000 . 2.300 1.861 1.803 1.896 . 0 0 "[ . 1]" 2 44 1 39 MET O 1 43 SER N 3.000 2.800 3.300 2.808 2.753 2.858 0.047 2 0 "[ . 1]" 2 45 1 40 ASP O 1 44 GLU H 2.000 . 2.300 1.949 1.856 2.116 . 0 0 "[ . 1]" 2 46 1 40 ASP O 1 44 GLU N 3.000 2.800 3.300 2.878 2.775 3.076 0.025 3 0 "[ . 1]" 2 47 1 41 CYS O 1 45 ALA H 2.000 . 2.300 2.148 1.847 2.363 0.063 3 0 "[ . 1]" 2 48 1 41 CYS O 1 45 ALA N 3.000 2.800 3.300 2.962 2.776 3.126 0.024 9 0 "[ . 1]" 2 49 1 42 ILE O 1 46 PHE H 2.000 . 2.300 2.286 2.110 2.333 0.033 3 0 "[ . 1]" 2 50 1 42 ILE O 1 46 PHE N 3.000 2.800 3.300 3.227 3.079 3.281 . 0 0 "[ . 1]" 2 51 2 7 LYS O 2 11 ALA H 2.000 . 2.300 1.930 1.863 1.991 . 0 0 "[ . 1]" 2 52 2 7 LYS O 2 11 ALA N 3.000 2.800 3.300 2.878 2.824 2.926 . 0 0 "[ . 1]" 2 53 2 8 GLU O 2 12 ALA H 2.000 . 2.300 2.054 1.873 2.150 . 0 0 "[ . 1]" 2 54 2 8 GLU O 2 12 ALA N 3.000 2.800 3.300 2.969 2.782 3.090 0.018 10 0 "[ . 1]" 2 55 2 9 GLU O 2 13 LEU H 2.000 . 2.300 2.258 2.137 2.344 0.044 3 0 "[ . 1]" 2 56 2 9 GLU O 2 13 LEU N 3.000 2.800 3.300 3.202 3.095 3.282 . 0 0 "[ . 1]" 2 57 2 10 ILE O 2 14 ILE H 2.000 . 2.300 1.879 1.842 2.006 . 0 0 "[ . 1]" 2 58 2 10 ILE O 2 14 ILE N 3.000 2.800 3.300 2.803 2.765 2.914 0.035 5 0 "[ . 1]" 2 59 2 11 ALA O 2 15 VAL H 2.000 . 2.300 1.919 1.871 1.954 . 0 0 "[ . 1]" 2 60 2 11 ALA O 2 15 VAL N 3.000 2.800 3.300 2.895 2.848 2.936 . 0 0 "[ . 1]" 2 61 2 12 ALA O 2 16 ASN H 2.000 . 2.300 2.062 1.973 2.137 . 0 0 "[ . 1]" 2 62 2 12 ALA O 2 16 ASN N 3.000 2.800 3.300 2.991 2.880 3.074 . 0 0 "[ . 1]" 2 63 2 13 LEU O 2 17 TYR H 2.000 . 2.300 2.049 1.907 2.329 0.029 2 0 "[ . 1]" 2 64 2 13 LEU O 2 17 TYR N 3.000 2.800 3.300 2.890 2.771 3.128 0.029 10 0 "[ . 1]" 2 65 2 14 ILE O 2 18 PHE H 2.000 . 2.300 2.212 2.079 2.324 0.024 2 0 "[ . 1]" 2 66 2 14 ILE O 2 18 PHE N 3.000 2.800 3.300 3.169 3.036 3.268 . 0 0 "[ . 1]" 2 67 2 15 VAL O 2 19 SER H 2.000 . 2.300 1.952 1.895 2.054 . 0 0 "[ . 1]" 2 68 2 15 VAL O 2 19 SER N 3.000 2.800 3.300 2.872 2.798 2.955 0.002 8 0 "[ . 1]" 2 69 2 16 ASN O 2 20 SER H 2.000 . 2.300 2.126 1.928 2.308 0.008 2 0 "[ . 1]" 2 70 2 16 ASN O 2 20 SER N 3.000 2.800 3.300 2.981 2.893 3.111 . 0 0 "[ . 1]" 2 71 2 17 TYR O 2 21 ILE H 2.000 . 2.300 1.973 1.846 2.173 . 0 0 "[ . 1]" 2 72 2 17 TYR O 2 21 ILE N 3.000 2.800 3.300 2.882 2.789 2.998 0.011 6 0 "[ . 1]" 2 73 2 29 GLU O 2 33 ASP H 2.000 . 2.300 2.028 1.861 2.131 . 0 0 "[ . 1]" 2 74 2 29 GLU O 2 33 ASP N 3.000 2.800 3.300 2.977 2.833 3.064 . 0 0 "[ . 1]" 2 75 2 30 ASP O 2 34 SER H 2.000 . 2.300 2.166 1.975 2.320 0.020 2 0 "[ . 1]" 2 76 2 30 ASP O 2 34 SER N 3.000 2.800 3.300 3.079 2.899 3.266 . 0 0 "[ . 1]" 2 77 2 31 GLY O 2 35 LEU H 2.000 . 2.300 2.025 1.911 2.126 . 0 0 "[ . 1]" 2 78 2 31 GLY O 2 35 LEU N 3.000 2.800 3.300 2.874 2.801 2.953 . 0 0 "[ . 1]" 2 79 2 32 ALA O 2 36 ASN H 2.000 . 2.300 1.961 1.878 2.032 . 0 0 "[ . 1]" 2 80 2 32 ALA O 2 36 ASN N 3.000 2.800 3.300 2.845 2.795 2.903 0.005 1 0 "[ . 1]" 2 81 2 33 ASP O 2 37 VAL H 2.000 . 2.300 2.063 2.021 2.103 . 0 0 "[ . 1]" 2 82 2 33 ASP O 2 37 VAL N 3.000 2.800 3.300 3.025 2.983 3.070 . 0 0 "[ . 1]" 2 83 2 34 SER O 2 38 ALA H 2.000 . 2.300 2.222 2.037 2.310 0.010 6 0 "[ . 1]" 2 84 2 34 SER O 2 38 ALA N 3.000 2.800 3.300 3.051 2.910 3.143 . 0 0 "[ . 1]" 2 85 2 35 LEU O 2 39 MET H 2.000 . 2.300 1.855 1.810 1.934 . 0 0 "[ . 1]" 2 86 2 35 LEU O 2 39 MET N 3.000 2.800 3.300 2.825 2.789 2.894 0.011 9 0 "[ . 1]" 2 87 2 36 ASN O 2 40 ASP H 2.000 . 2.300 2.216 2.101 2.313 0.013 10 0 "[ . 1]" 2 88 2 36 ASN O 2 40 ASP N 3.000 2.800 3.300 3.126 2.997 3.238 . 0 0 "[ . 1]" 2 89 2 37 VAL O 2 41 CYS H 2.000 . 2.300 2.128 1.973 2.266 . 0 0 "[ . 1]" 2 90 2 37 VAL O 2 41 CYS N 3.000 2.800 3.300 3.042 2.918 3.122 . 0 0 "[ . 1]" 2 91 2 38 ALA O 2 42 ILE H 2.000 . 2.300 1.988 1.914 2.088 . 0 0 "[ . 1]" 2 92 2 38 ALA O 2 42 ILE N 3.000 2.800 3.300 2.905 2.833 2.973 . 0 0 "[ . 1]" 2 93 2 39 MET O 2 43 SER H 2.000 . 2.300 1.859 1.805 1.893 . 0 0 "[ . 1]" 2 94 2 39 MET O 2 43 SER N 3.000 2.800 3.300 2.808 2.755 2.857 0.045 2 0 "[ . 1]" 2 95 2 40 ASP O 2 44 GLU H 2.000 . 2.300 1.949 1.859 2.116 . 0 0 "[ . 1]" 2 96 2 40 ASP O 2 44 GLU N 3.000 2.800 3.300 2.878 2.776 3.076 0.024 3 0 "[ . 1]" 2 97 2 41 CYS O 2 45 ALA H 2.000 . 2.300 2.150 1.850 2.359 0.059 3 0 "[ . 1]" 2 98 2 41 CYS O 2 45 ALA N 3.000 2.800 3.300 2.962 2.778 3.127 0.022 9 0 "[ . 1]" 2 99 2 42 ILE O 2 46 PHE H 2.000 . 2.300 2.286 2.109 2.334 0.034 3 0 "[ . 1]" 2 100 2 42 ILE O 2 46 PHE N 3.000 2.800 3.300 3.226 3.077 3.281 . 0 0 "[ . 1]" 2 stop_ save_
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