NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
549565 | 2lvj | 18572 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvj 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 1627 _Distance_constraint_stats_list.Viol_count 2101 _Distance_constraint_stats_list.Viol_total 3884.170 _Distance_constraint_stats_list.Viol_max 1.040 _Distance_constraint_stats_list.Viol_rms 0.0408 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0060 _Distance_constraint_stats_list.Viol_average_violations_only 0.0924 _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 ASP 0.422 0.328 17 0 "[ . 1 . 2]" 1 3 ASP 0.333 0.328 17 0 "[ . 1 . 2]" 1 4 MET 1.087 0.196 14 0 "[ . 1 . 2]" 1 5 GLU 0.249 0.092 17 0 "[ . 1 . 2]" 1 6 ARG 0.928 0.123 19 0 "[ . 1 . 2]" 1 7 ILE 0.036 0.012 10 0 "[ . 1 . 2]" 1 8 PHE 1.613 0.090 11 0 "[ . 1 . 2]" 1 9 LYS 0.362 0.066 17 0 "[ . 1 . 2]" 1 10 ARG 1.281 0.090 11 0 "[ . 1 . 2]" 1 11 PHE 1.272 0.066 13 0 "[ . 1 . 2]" 1 12 ASP 0.045 0.021 4 0 "[ . 1 . 2]" 1 13 THR 0.080 0.018 12 0 "[ . 1 . 2]" 1 14 ASN 0.253 0.027 11 0 "[ . 1 . 2]" 1 15 GLY 0.013 0.007 6 0 "[ . 1 . 2]" 1 16 ASP 0.444 0.067 18 0 "[ . 1 . 2]" 1 17 GLY 0.155 0.092 4 0 "[ . 1 . 2]" 1 18 LYS 4.691 0.148 4 0 "[ . 1 . 2]" 1 19 ILE 1.666 0.149 5 0 "[ . 1 . 2]" 1 20 SER 3.037 0.133 5 0 "[ . 1 . 2]" 1 21 LEU 8.510 0.316 14 0 "[ . 1 . 2]" 1 22 SER 9.187 0.316 14 0 "[ . 1 . 2]" 1 23 GLU 6.775 0.200 7 0 "[ . 1 . 2]" 1 24 LEU 35.995 1.040 9 20 [-*******+***********] 1 25 THR 24.443 1.040 9 20 [-*******+***********] 1 26 ASP 5.043 0.102 18 0 "[ . 1 . 2]" 1 27 ALA 6.004 0.200 7 0 "[ . 1 . 2]" 1 28 LEU 11.579 0.441 2 0 "[ . 1 . 2]" 1 29 ARG 1.433 0.149 3 0 "[ . 1 . 2]" 1 30 THR 2.070 0.099 20 0 "[ . 1 . 2]" 1 31 LEU 2.250 0.099 20 0 "[ . 1 . 2]" 1 32 GLY 0.149 0.096 16 0 "[ . 1 . 2]" 1 33 SER 1.575 0.228 16 0 "[ . 1 . 2]" 1 34 THR 1.594 0.106 16 0 "[ . 1 . 2]" 1 35 SER 0.113 0.037 5 0 "[ . 1 . 2]" 1 36 ALA 8.577 0.376 2 0 "[ . 1 . 2]" 1 37 ASP 6.802 0.177 11 0 "[ . 1 . 2]" 1 38 GLU 0.015 0.015 14 0 "[ . 1 . 2]" 1 39 VAL 8.982 0.376 2 0 "[ . 1 . 2]" 1 40 GLN 10.766 0.224 14 0 "[ . 1 . 2]" 1 41 ARG 7.165 0.224 14 0 "[ . 1 . 2]" 1 42 MET 5.387 0.258 15 0 "[ . 1 . 2]" 1 43 MET 11.858 0.266 3 0 "[ . 1 . 2]" 1 44 ALA 16.375 0.628 12 14 "[ ***.-** **+* * ***]" 1 45 GLU 2.689 0.119 19 0 "[ . 1 . 2]" 1 46 ILE 0.945 0.057 2 0 "[ . 1 . 2]" 1 47 ASP 0.079 0.033 20 0 "[ . 1 . 2]" 1 48 THR 2.637 0.233 18 0 "[ . 1 . 2]" 1 49 ASP 6.405 0.233 18 0 "[ . 1 . 2]" 1 50 GLY 11.650 0.628 12 14 "[ ***.-** **+* * ***]" 1 51 ASP 8.866 0.300 10 0 "[ . 1 . 2]" 1 52 GLY 11.499 0.316 10 0 "[ . 1 . 2]" 1 53 PHE 16.551 0.316 10 0 "[ . 1 . 2]" 1 54 ILE 3.502 0.229 6 0 "[ . 1 . 2]" 1 55 ASP 3.923 0.229 5 0 "[ . 1 . 2]" 1 56 PHE 6.552 0.180 5 0 "[ . 1 . 2]" 1 57 ASN 4.093 0.127 19 0 "[ . 1 . 2]" 1 58 GLU 5.102 0.180 5 0 "[ . 1 . 2]" 1 59 PHE 0.096 0.035 13 0 "[ . 1 . 2]" 1 60 ILE 4.887 0.177 17 0 "[ . 1 . 2]" 1 61 SER 0.087 0.016 12 0 "[ . 1 . 2]" 1 62 PHE 13.312 0.266 3 0 "[ . 1 . 2]" 1 63 CYS 8.444 0.177 17 0 "[ . 1 . 2]" 1 64 ASN 2.657 0.100 9 0 "[ . 1 . 2]" 1 65 ALA 0.501 0.024 7 0 "[ . 1 . 2]" 1 66 ASN 0.717 0.045 19 0 "[ . 1 . 2]" 1 67 PRO 10.731 0.713 14 7 "[* . 1 **+.*-* 2]" 1 68 GLY 2.254 0.153 18 0 "[ . 1 . 2]" 1 69 LEU 17.148 0.713 14 7 "[* . 1 **+.*-* 2]" 1 70 MET 0.966 0.056 5 0 "[ . 1 . 2]" 1 71 LYS 4.046 0.137 12 0 "[ . 1 . 2]" 1 72 ASP 0.639 0.055 19 0 "[ . 1 . 2]" 1 73 VAL 2.211 0.137 12 0 "[ . 1 . 2]" 1 74 ALA 0.712 0.067 7 0 "[ . 1 . 2]" 1 75 LYS 1.256 0.073 15 0 "[ . 1 . 2]" 1 76 VAL 0.321 0.068 10 0 "[ . 1 . 2]" 1 77 PHE 1.330 0.167 9 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASP HA 1 3 ASP H . . 3.490 2.471 2.190 3.479 . 0 0 "[ . 1 . 2]" 1 2 1 2 ASP QB 1 3 ASP H . . 2.980 2.576 1.940 3.308 0.328 17 0 "[ . 1 . 2]" 1 3 1 2 ASP QB 1 5 GLU QB . . 4.140 2.826 2.006 4.085 . 0 0 "[ . 1 . 2]" 1 4 1 2 ASP HB2 1 5 GLU H . . 5.500 3.667 2.675 5.592 0.092 17 0 "[ . 1 . 2]" 1 5 1 2 ASP HB3 1 5 GLU H . . 5.500 3.709 2.601 5.093 . 0 0 "[ . 1 . 2]" 1 6 1 3 ASP H 1 6 ARG H . . 5.460 4.993 4.047 5.434 . 0 0 "[ . 1 . 2]" 1 7 1 3 ASP HA 1 5 GLU H . . 4.520 3.959 3.681 4.460 . 0 0 "[ . 1 . 2]" 1 8 1 3 ASP HA 1 6 ARG H . . 3.920 3.422 3.179 3.622 . 0 0 "[ . 1 . 2]" 1 9 1 3 ASP HA 1 6 ARG HB2 . . 3.410 3.302 2.939 3.411 0.001 18 0 "[ . 1 . 2]" 1 10 1 3 ASP HA 1 6 ARG QG . . 5.340 3.368 2.586 4.076 . 0 0 "[ . 1 . 2]" 1 11 1 3 ASP HA 1 7 ILE MD . . 5.500 3.721 3.331 3.995 . 0 0 "[ . 1 . 2]" 1 12 1 3 ASP QB 1 7 ILE H . . 5.340 4.847 4.202 5.278 . 0 0 "[ . 1 . 2]" 1 13 1 3 ASP QB 1 74 ALA HA . . 5.340 4.432 3.951 4.824 . 0 0 "[ . 1 . 2]" 1 14 1 3 ASP QB 1 74 ALA MB . . 3.730 3.129 2.882 3.290 . 0 0 "[ . 1 . 2]" 1 15 1 3 ASP HB2 1 4 MET ME . . 5.500 4.624 3.601 4.926 . 0 0 "[ . 1 . 2]" 1 16 1 3 ASP HB3 1 4 MET ME . . 5.500 4.962 4.422 5.152 . 0 0 "[ . 1 . 2]" 1 17 1 4 MET H 1 4 MET HB2 . . 3.660 2.640 2.225 2.785 . 0 0 "[ . 1 . 2]" 1 18 1 4 MET H 1 4 MET QB . . 3.190 2.569 2.203 2.691 . 0 0 "[ . 1 . 2]" 1 19 1 4 MET H 1 4 MET HB3 . . 3.660 3.567 3.519 3.597 . 0 0 "[ . 1 . 2]" 1 20 1 4 MET H 1 4 MET ME . . 4.560 3.828 3.276 3.978 . 0 0 "[ . 1 . 2]" 1 21 1 4 MET H 1 4 MET HG2 . . 4.110 2.218 1.929 3.890 . 0 0 "[ . 1 . 2]" 1 22 1 4 MET H 1 4 MET QG . . 3.310 2.162 1.920 3.506 0.196 14 0 "[ . 1 . 2]" 1 23 1 4 MET H 1 4 MET HG3 . . 4.110 3.477 3.127 3.991 . 0 0 "[ . 1 . 2]" 1 24 1 4 MET H 1 5 GLU HA . . 5.470 5.339 5.235 5.461 . 0 0 "[ . 1 . 2]" 1 25 1 4 MET H 1 6 ARG H . . 4.680 4.477 4.309 4.629 . 0 0 "[ . 1 . 2]" 1 26 1 4 MET H 1 7 ILE MD . . 5.500 3.678 3.557 3.811 . 0 0 "[ . 1 . 2]" 1 27 1 4 MET H 1 74 ALA MB . . 5.500 4.800 4.763 4.817 . 0 0 "[ . 1 . 2]" 1 28 1 4 MET HA 1 4 MET ME . . 5.390 2.293 2.186 2.452 . 0 0 "[ . 1 . 2]" 1 29 1 4 MET HA 1 7 ILE H . . 3.900 3.723 3.452 3.856 . 0 0 "[ . 1 . 2]" 1 30 1 4 MET HA 1 7 ILE HB . . 4.440 3.305 3.217 3.369 . 0 0 "[ . 1 . 2]" 1 31 1 4 MET HA 1 7 ILE MD . . 3.900 2.004 1.926 2.128 . 0 0 "[ . 1 . 2]" 1 32 1 4 MET HA 1 7 ILE MG . . 5.500 4.652 4.571 4.725 . 0 0 "[ . 1 . 2]" 1 33 1 4 MET HA 1 8 PHE H . . 5.500 3.950 3.748 4.101 . 0 0 "[ . 1 . 2]" 1 34 1 4 MET HA 1 56 PHE HE1 . . 5.500 5.535 5.511 5.584 0.084 11 0 "[ . 1 . 2]" 1 35 1 4 MET QB 1 5 GLU H . . 3.580 2.796 2.485 2.967 . 0 0 "[ . 1 . 2]" 1 36 1 4 MET QB 1 60 ILE MD . . 3.730 2.132 1.929 2.325 . 0 0 "[ . 1 . 2]" 1 37 1 4 MET QB 1 63 CYS HB3 . . 5.340 4.645 4.248 5.116 . 0 0 "[ . 1 . 2]" 1 38 1 4 MET HB2 1 60 ILE MD . . 4.350 2.398 2.179 2.682 . 0 0 "[ . 1 . 2]" 1 39 1 4 MET HB3 1 60 ILE MD . . 4.350 2.516 1.989 2.850 . 0 0 "[ . 1 . 2]" 1 40 1 4 MET ME 1 7 ILE H . . 5.500 4.963 4.781 5.134 . 0 0 "[ . 1 . 2]" 1 41 1 4 MET ME 1 7 ILE MD . . 4.360 2.567 2.442 2.824 . 0 0 "[ . 1 . 2]" 1 42 1 4 MET ME 1 60 ILE HA . . 5.500 3.915 3.635 4.572 . 0 0 "[ . 1 . 2]" 1 43 1 4 MET ME 1 60 ILE MD . . 5.500 3.582 3.259 4.057 . 0 0 "[ . 1 . 2]" 1 44 1 4 MET ME 1 63 CYS HB2 . . 5.500 2.085 1.962 2.311 . 0 0 "[ . 1 . 2]" 1 45 1 4 MET ME 1 63 CYS HB3 . . 4.270 3.170 3.021 3.346 . 0 0 "[ . 1 . 2]" 1 46 1 4 MET ME 1 74 ALA HA . . 5.500 4.308 3.942 4.438 . 0 0 "[ . 1 . 2]" 1 47 1 4 MET ME 1 74 ALA MB . . 3.120 2.690 1.991 2.828 . 0 0 "[ . 1 . 2]" 1 48 1 4 MET QG 1 5 GLU H . . 5.340 4.031 3.876 4.613 . 0 0 "[ . 1 . 2]" 1 49 1 4 MET QG 1 60 ILE HA . . 4.980 3.888 3.033 4.187 . 0 0 "[ . 1 . 2]" 1 50 1 4 MET QG 1 60 ILE MD . . 4.500 2.338 1.882 2.623 . 0 0 "[ . 1 . 2]" 1 51 1 4 MET HG2 1 60 ILE MD . . 5.500 3.329 1.911 3.701 . 0 0 "[ . 1 . 2]" 1 52 1 4 MET HG3 1 60 ILE MD . . 5.500 2.475 2.116 2.851 . 0 0 "[ . 1 . 2]" 1 53 1 5 GLU H 1 5 GLU QB . . 2.500 2.143 2.045 2.246 . 0 0 "[ . 1 . 2]" 1 54 1 5 GLU H 1 5 GLU HG2 . . 5.330 4.609 4.457 4.663 . 0 0 "[ . 1 . 2]" 1 55 1 5 GLU H 1 5 GLU QG . . 4.630 3.867 3.593 3.977 . 0 0 "[ . 1 . 2]" 1 56 1 5 GLU H 1 5 GLU HG3 . . 5.330 4.161 3.760 4.391 . 0 0 "[ . 1 . 2]" 1 57 1 5 GLU H 1 6 ARG H . . 3.280 2.705 2.576 2.901 . 0 0 "[ . 1 . 2]" 1 58 1 5 GLU H 1 6 ARG HB2 . . 4.910 4.673 4.450 4.929 0.019 17 0 "[ . 1 . 2]" 1 59 1 5 GLU H 1 7 ILE H . . 4.880 4.565 4.176 4.709 . 0 0 "[ . 1 . 2]" 1 60 1 5 GLU H 1 8 PHE HB2 . . 5.500 5.418 5.178 5.524 0.024 10 0 "[ . 1 . 2]" 1 61 1 5 GLU H 1 60 ILE MD . . 5.500 4.620 4.474 4.940 . 0 0 "[ . 1 . 2]" 1 62 1 5 GLU HA 1 5 GLU QG . . 3.650 2.156 2.019 2.317 . 0 0 "[ . 1 . 2]" 1 63 1 5 GLU HA 1 7 ILE MD . . 5.500 5.065 4.859 5.197 . 0 0 "[ . 1 . 2]" 1 64 1 5 GLU HA 1 8 PHE H . . 4.200 3.715 3.360 3.869 . 0 0 "[ . 1 . 2]" 1 65 1 5 GLU HA 1 8 PHE HB2 . . 4.080 3.612 3.488 3.778 . 0 0 "[ . 1 . 2]" 1 66 1 5 GLU HA 1 8 PHE HB3 . . 3.690 2.563 2.402 2.665 . 0 0 "[ . 1 . 2]" 1 67 1 5 GLU HA 1 56 PHE HE1 . . 4.440 2.052 1.990 2.113 . 0 0 "[ . 1 . 2]" 1 68 1 5 GLU HA 1 60 ILE MD . . 5.460 4.986 4.689 5.217 . 0 0 "[ . 1 . 2]" 1 69 1 5 GLU QB 1 6 ARG H . . 3.400 2.525 2.347 2.740 . 0 0 "[ . 1 . 2]" 1 70 1 5 GLU QB 1 9 LYS H . . 5.340 5.159 4.693 5.350 0.010 7 0 "[ . 1 . 2]" 1 71 1 5 GLU QB 1 9 LYS QE . . 4.760 3.669 2.551 4.617 . 0 0 "[ . 1 . 2]" 1 72 1 5 GLU HB2 1 6 ARG H . . 3.880 3.520 3.091 3.843 . 0 0 "[ . 1 . 2]" 1 73 1 5 GLU HB3 1 6 ARG H . . 3.880 2.595 2.378 2.840 . 0 0 "[ . 1 . 2]" 1 74 1 5 GLU QG 1 6 ARG H . . 4.820 4.057 3.694 4.346 . 0 0 "[ . 1 . 2]" 1 75 1 5 GLU QG 1 9 LYS QD . . 4.590 2.934 1.922 3.736 . 0 0 "[ . 1 . 2]" 1 76 1 5 GLU QG 1 9 LYS QE . . 4.560 2.392 1.828 3.879 . 0 0 "[ . 1 . 2]" 1 77 1 5 GLU HG2 1 6 ARG H . . 5.500 4.403 3.930 4.734 . 0 0 "[ . 1 . 2]" 1 78 1 5 GLU HG2 1 8 PHE HB3 . . 5.500 4.869 4.040 5.191 . 0 0 "[ . 1 . 2]" 1 79 1 5 GLU HG2 1 9 LYS H . . 5.500 5.229 4.430 5.512 0.012 15 0 "[ . 1 . 2]" 1 80 1 5 GLU HG3 1 6 ARG H . . 5.500 4.767 4.489 5.068 . 0 0 "[ . 1 . 2]" 1 81 1 5 GLU HG3 1 8 PHE HB3 . . 5.500 3.983 3.733 4.270 . 0 0 "[ . 1 . 2]" 1 82 1 5 GLU HG3 1 9 LYS H . . 5.500 5.185 4.703 5.506 0.006 5 0 "[ . 1 . 2]" 1 83 1 6 ARG H 1 6 ARG HA . . 2.940 2.783 2.748 2.826 . 0 0 "[ . 1 . 2]" 1 84 1 6 ARG H 1 6 ARG HB2 . . 3.030 2.327 2.145 2.533 . 0 0 "[ . 1 . 2]" 1 85 1 6 ARG H 1 6 ARG HD2 . . 5.500 4.416 2.280 5.158 . 0 0 "[ . 1 . 2]" 1 86 1 6 ARG H 1 6 ARG HD3 . . 5.500 3.842 2.323 4.631 . 0 0 "[ . 1 . 2]" 1 87 1 6 ARG H 1 6 ARG HG2 . . 3.900 2.749 2.113 3.876 . 0 0 "[ . 1 . 2]" 1 88 1 6 ARG H 1 6 ARG QG . . 3.370 2.638 2.094 3.440 0.070 14 0 "[ . 1 . 2]" 1 89 1 6 ARG H 1 6 ARG HG3 . . 3.900 3.687 3.363 3.907 0.007 13 0 "[ . 1 . 2]" 1 90 1 6 ARG H 1 7 ILE H . . 3.060 2.926 2.720 3.050 . 0 0 "[ . 1 . 2]" 1 91 1 6 ARG H 1 7 ILE MD . . 5.500 3.609 3.353 3.776 . 0 0 "[ . 1 . 2]" 1 92 1 6 ARG H 1 9 LYS QE . . 5.340 5.088 3.718 5.357 0.017 20 0 "[ . 1 . 2]" 1 93 1 6 ARG H 1 56 PHE HE1 . . 5.500 5.497 5.436 5.535 0.035 15 0 "[ . 1 . 2]" 1 94 1 6 ARG HA 1 6 ARG HB3 . . 2.810 2.598 2.477 2.722 . 0 0 "[ . 1 . 2]" 1 95 1 6 ARG HA 1 6 ARG QD . . 2.390 2.233 1.977 2.406 0.016 14 0 "[ . 1 . 2]" 1 96 1 6 ARG HA 1 6 ARG QG . . 2.910 2.612 2.387 2.912 0.002 20 0 "[ . 1 . 2]" 1 97 1 6 ARG HA 1 9 LYS H . . 5.500 3.694 3.620 3.911 . 0 0 "[ . 1 . 2]" 1 98 1 6 ARG HA 1 10 ARG H . . 4.800 4.480 4.373 4.640 . 0 0 "[ . 1 . 2]" 1 99 1 6 ARG HB2 1 7 ILE H . . 3.500 2.402 2.180 2.861 . 0 0 "[ . 1 . 2]" 1 100 1 6 ARG HB3 1 6 ARG HD2 . . 3.790 2.530 2.195 3.710 . 0 0 "[ . 1 . 2]" 1 101 1 6 ARG HB3 1 6 ARG QD . . 3.180 2.404 2.153 3.303 0.123 19 0 "[ . 1 . 2]" 1 102 1 6 ARG HB3 1 6 ARG HD3 . . 3.790 3.130 2.666 3.710 . 0 0 "[ . 1 . 2]" 1 103 1 6 ARG HB3 1 10 ARG H . . 5.500 5.260 5.117 5.517 0.017 10 0 "[ . 1 . 2]" 1 104 1 6 ARG QD 1 6 ARG QG . . 2.340 2.085 2.075 2.090 . 0 0 "[ . 1 . 2]" 1 105 1 6 ARG HD2 1 7 ILE H . . 5.500 5.146 4.714 5.474 . 0 0 "[ . 1 . 2]" 1 106 1 6 ARG HD3 1 7 ILE H . . 5.500 5.160 4.603 5.493 . 0 0 "[ . 1 . 2]" 1 107 1 7 ILE H 1 7 ILE HB . . 3.430 2.686 2.544 2.716 . 0 0 "[ . 1 . 2]" 1 108 1 7 ILE H 1 7 ILE MD . . 3.800 2.016 1.878 2.069 . 0 0 "[ . 1 . 2]" 1 109 1 7 ILE H 1 7 ILE HG12 . . 3.920 3.640 3.607 3.866 . 0 0 "[ . 1 . 2]" 1 110 1 7 ILE H 1 7 ILE QG . . 3.190 2.369 2.302 2.895 . 0 0 "[ . 1 . 2]" 1 111 1 7 ILE H 1 7 ILE HG13 . . 3.920 2.402 2.329 2.990 . 0 0 "[ . 1 . 2]" 1 112 1 7 ILE H 1 8 PHE HB2 . . 5.500 5.282 4.982 5.375 . 0 0 "[ . 1 . 2]" 1 113 1 7 ILE H 1 8 PHE HB3 . . 5.300 4.877 4.563 4.954 . 0 0 "[ . 1 . 2]" 1 114 1 7 ILE H 1 77 PHE QB . . 5.340 3.764 3.157 4.226 . 0 0 "[ . 1 . 2]" 1 115 1 7 ILE HA 1 7 ILE MD . . 4.070 3.610 3.416 3.642 . 0 0 "[ . 1 . 2]" 1 116 1 7 ILE HA 1 7 ILE HG12 . . 3.600 3.441 3.409 3.537 . 0 0 "[ . 1 . 2]" 1 117 1 7 ILE HA 1 7 ILE HG13 . . 3.600 2.448 2.383 2.476 . 0 0 "[ . 1 . 2]" 1 118 1 7 ILE HA 1 7 ILE MG . . 3.480 2.268 2.238 2.337 . 0 0 "[ . 1 . 2]" 1 119 1 7 ILE HA 1 10 ARG H . . 3.750 3.143 3.092 3.312 . 0 0 "[ . 1 . 2]" 1 120 1 7 ILE HA 1 10 ARG HB2 . . 4.270 2.102 1.996 2.308 . 0 0 "[ . 1 . 2]" 1 121 1 7 ILE HA 1 10 ARG HB3 . . 3.310 3.066 2.870 3.309 . 0 0 "[ . 1 . 2]" 1 122 1 7 ILE HA 1 10 ARG HD2 . . 4.580 3.465 2.899 4.198 . 0 0 "[ . 1 . 2]" 1 123 1 7 ILE HA 1 10 ARG QD . . 3.950 3.285 2.859 3.885 . 0 0 "[ . 1 . 2]" 1 124 1 7 ILE HA 1 10 ARG HD3 . . 4.580 4.327 3.834 4.588 0.008 15 0 "[ . 1 . 2]" 1 125 1 7 ILE HB 1 7 ILE MD . . 2.980 2.109 2.084 2.134 . 0 0 "[ . 1 . 2]" 1 126 1 7 ILE HB 1 8 PHE H . . 3.610 2.442 2.400 2.524 . 0 0 "[ . 1 . 2]" 1 127 1 7 ILE HB 1 9 LYS H . . 5.500 4.920 4.879 5.007 . 0 0 "[ . 1 . 2]" 1 128 1 7 ILE HB 1 77 PHE QD . . 5.360 4.942 4.417 5.355 . 0 0 "[ . 1 . 2]" 1 129 1 7 ILE MD 1 8 PHE H . . 4.770 3.327 3.285 3.378 . 0 0 "[ . 1 . 2]" 1 130 1 7 ILE MD 1 8 PHE HB3 . . 5.500 5.227 5.199 5.250 . 0 0 "[ . 1 . 2]" 1 131 1 7 ILE MD 1 74 ALA H . . 5.190 4.324 4.233 4.471 . 0 0 "[ . 1 . 2]" 1 132 1 7 ILE MD 1 74 ALA HA . . 3.730 2.523 2.090 2.672 . 0 0 "[ . 1 . 2]" 1 133 1 7 ILE MD 1 74 ALA MB . . 3.500 2.468 2.410 2.593 . 0 0 "[ . 1 . 2]" 1 134 1 7 ILE MD 1 77 PHE H . . 5.500 4.511 4.175 4.773 . 0 0 "[ . 1 . 2]" 1 135 1 7 ILE MD 1 77 PHE QB . . 3.680 2.463 1.927 2.966 . 0 0 "[ . 1 . 2]" 1 136 1 7 ILE MD 1 77 PHE QD . . 3.630 2.976 2.242 3.432 . 0 0 "[ . 1 . 2]" 1 137 1 7 ILE QG 1 74 ALA HA . . 3.600 2.824 2.529 2.968 . 0 0 "[ . 1 . 2]" 1 138 1 7 ILE QG 1 74 ALA MB . . 4.670 3.679 3.610 3.762 . 0 0 "[ . 1 . 2]" 1 139 1 7 ILE QG 1 77 PHE HA . . 5.340 4.120 2.977 5.070 . 0 0 "[ . 1 . 2]" 1 140 1 7 ILE QG 1 77 PHE QB . . 3.750 2.023 1.840 2.354 . 0 0 "[ . 1 . 2]" 1 141 1 7 ILE QG 1 77 PHE QD . . 4.200 2.553 1.957 3.415 . 0 0 "[ . 1 . 2]" 1 142 1 7 ILE HG12 1 74 ALA HA . . 4.330 2.897 2.567 3.068 . 0 0 "[ . 1 . 2]" 1 143 1 7 ILE HG12 1 77 PHE H . . 5.500 5.009 4.427 5.512 0.012 10 0 "[ . 1 . 2]" 1 144 1 7 ILE HG13 1 74 ALA HA . . 4.330 3.921 3.805 4.019 . 0 0 "[ . 1 . 2]" 1 145 1 7 ILE HG13 1 77 PHE H . . 5.500 5.092 4.533 5.510 0.010 6 0 "[ . 1 . 2]" 1 146 1 7 ILE MG 1 8 PHE H . . 3.920 3.480 3.434 3.559 . 0 0 "[ . 1 . 2]" 1 147 1 7 ILE MG 1 8 PHE HA . . 3.890 3.593 3.479 3.655 . 0 0 "[ . 1 . 2]" 1 148 1 7 ILE MG 1 9 LYS H . . 5.500 4.962 4.915 5.048 . 0 0 "[ . 1 . 2]" 1 149 1 7 ILE MG 1 10 ARG HB3 . . 4.370 3.252 3.071 3.550 . 0 0 "[ . 1 . 2]" 1 150 1 7 ILE MG 1 11 PHE H . . 5.250 4.327 4.202 4.458 . 0 0 "[ . 1 . 2]" 1 151 1 7 ILE MG 1 11 PHE HE1 . . 4.660 4.321 4.276 4.360 . 0 0 "[ . 1 . 2]" 1 152 1 7 ILE MG 1 77 PHE HB2 . . 5.500 4.387 4.141 4.725 . 0 0 "[ . 1 . 2]" 1 153 1 7 ILE MG 1 77 PHE QB . . 5.340 3.865 3.443 4.253 . 0 0 "[ . 1 . 2]" 1 154 1 7 ILE MG 1 77 PHE HB3 . . 5.500 4.355 3.621 5.007 . 0 0 "[ . 1 . 2]" 1 155 1 8 PHE H 1 8 PHE HB2 . . 3.050 2.587 2.548 2.624 . 0 0 "[ . 1 . 2]" 1 156 1 8 PHE H 1 8 PHE HB3 . . 2.940 2.478 2.440 2.517 . 0 0 "[ . 1 . 2]" 1 157 1 8 PHE H 1 8 PHE QD . . 5.500 4.182 4.171 4.187 . 0 0 "[ . 1 . 2]" 1 158 1 8 PHE H 1 9 LYS H . . 3.240 2.793 2.706 2.835 . 0 0 "[ . 1 . 2]" 1 159 1 8 PHE H 1 9 LYS HG3 . . 4.990 4.848 4.631 4.999 0.009 9 0 "[ . 1 . 2]" 1 160 1 8 PHE H 1 10 ARG H . . 4.180 3.893 3.850 3.914 . 0 0 "[ . 1 . 2]" 1 161 1 8 PHE H 1 56 PHE HE1 . . 4.890 4.710 4.273 4.916 0.026 11 0 "[ . 1 . 2]" 1 162 1 8 PHE HA 1 8 PHE HB2 . . 2.730 2.409 2.396 2.424 . 0 0 "[ . 1 . 2]" 1 163 1 8 PHE HA 1 8 PHE QD . . 3.440 2.866 2.750 3.010 . 0 0 "[ . 1 . 2]" 1 164 1 8 PHE HA 1 11 PHE H . . 4.290 4.235 4.070 4.296 0.006 13 0 "[ . 1 . 2]" 1 165 1 8 PHE HA 1 11 PHE HB2 . . 4.680 4.673 4.391 4.707 0.027 5 0 "[ . 1 . 2]" 1 166 1 8 PHE HA 1 12 ASP H . . 5.500 5.074 4.793 5.456 . 0 0 "[ . 1 . 2]" 1 167 1 8 PHE HA 1 19 ILE MD . . 3.550 2.312 2.205 2.533 . 0 0 "[ . 1 . 2]" 1 168 1 8 PHE HA 1 19 ILE MG . . 3.890 3.483 3.297 3.664 . 0 0 "[ . 1 . 2]" 1 169 1 8 PHE HB2 1 9 LYS H . . 4.140 3.970 3.911 4.007 . 0 0 "[ . 1 . 2]" 1 170 1 8 PHE HB2 1 10 ARG H . . 5.500 5.561 5.518 5.590 0.090 11 0 "[ . 1 . 2]" 1 171 1 8 PHE HB2 1 19 ILE MD . . 5.500 3.639 3.463 3.848 . 0 0 "[ . 1 . 2]" 1 172 1 8 PHE HB2 1 56 PHE HE1 . . 3.840 3.330 2.824 3.630 . 0 0 "[ . 1 . 2]" 1 173 1 8 PHE HB3 1 8 PHE QD . . 3.260 2.352 2.316 2.404 . 0 0 "[ . 1 . 2]" 1 174 1 8 PHE HB3 1 9 LYS H . . 3.620 2.670 2.558 2.725 . 0 0 "[ . 1 . 2]" 1 175 1 8 PHE HB3 1 9 LYS HB2 . . 4.980 4.690 4.557 4.907 . 0 0 "[ . 1 . 2]" 1 176 1 8 PHE HB3 1 9 LYS QD . . 5.340 4.838 3.976 5.346 0.006 18 0 "[ . 1 . 2]" 1 177 1 8 PHE HB3 1 9 LYS HG2 . . 5.500 4.860 4.267 5.200 . 0 0 "[ . 1 . 2]" 1 178 1 8 PHE HB3 1 10 ARG H . . 5.500 4.764 4.681 4.798 . 0 0 "[ . 1 . 2]" 1 179 1 8 PHE HB3 1 19 ILE MD . . 5.500 4.491 4.361 4.755 . 0 0 "[ . 1 . 2]" 1 180 1 8 PHE HB3 1 56 PHE HE1 . . 3.230 2.958 2.484 3.237 0.007 6 0 "[ . 1 . 2]" 1 181 1 8 PHE QD 1 9 LYS H . . 3.980 3.322 3.202 3.450 . 0 0 "[ . 1 . 2]" 1 182 1 8 PHE QD 1 9 LYS HA . . 4.060 3.366 3.110 3.524 . 0 0 "[ . 1 . 2]" 1 183 1 8 PHE QD 1 9 LYS HD2 . . 5.500 4.690 3.989 5.332 . 0 0 "[ . 1 . 2]" 1 184 1 8 PHE QD 1 9 LYS HD3 . . 5.500 4.827 4.158 5.277 . 0 0 "[ . 1 . 2]" 1 185 1 8 PHE QD 1 10 ARG H . . 5.500 5.186 5.046 5.276 . 0 0 "[ . 1 . 2]" 1 186 1 8 PHE QD 1 12 ASP QB . . 5.410 4.067 3.810 4.354 . 0 0 "[ . 1 . 2]" 1 187 1 8 PHE QD 1 19 ILE MD . . 3.940 2.275 2.083 2.597 . 0 0 "[ . 1 . 2]" 1 188 1 8 PHE QD 1 19 ILE MG . . 5.240 3.657 3.468 3.801 . 0 0 "[ . 1 . 2]" 1 189 1 8 PHE QD 1 54 ILE MD . . 5.500 3.701 3.561 3.814 . 0 0 "[ . 1 . 2]" 1 190 1 8 PHE QD 1 56 PHE HA . . 4.000 3.337 3.274 3.428 . 0 0 "[ . 1 . 2]" 1 191 1 8 PHE QE 1 9 LYS HA . . 4.730 4.465 4.262 4.618 . 0 0 "[ . 1 . 2]" 1 192 1 8 PHE QE 1 12 ASP QB . . 5.020 4.107 3.807 4.425 . 0 0 "[ . 1 . 2]" 1 193 1 8 PHE QE 1 18 LYS HA . . 4.550 3.275 2.995 3.490 . 0 0 "[ . 1 . 2]" 1 194 1 8 PHE QE 1 19 ILE H . . 5.500 3.871 3.620 4.038 . 0 0 "[ . 1 . 2]" 1 195 1 8 PHE QE 1 19 ILE QG . . 4.230 2.975 2.673 3.095 . 0 0 "[ . 1 . 2]" 1 196 1 8 PHE QE 1 19 ILE MG . . 4.140 3.462 3.153 3.699 . 0 0 "[ . 1 . 2]" 1 197 1 8 PHE QE 1 54 ILE HB . . 5.500 4.690 4.390 4.938 . 0 0 "[ . 1 . 2]" 1 198 1 8 PHE QE 1 54 ILE QG . . 4.490 3.515 3.063 4.128 . 0 0 "[ . 1 . 2]" 1 199 1 8 PHE QE 1 55 ASP HA . . 3.910 2.695 2.448 2.876 . 0 0 "[ . 1 . 2]" 1 200 1 8 PHE QE 1 56 PHE H . . 5.500 3.338 3.157 3.486 . 0 0 "[ . 1 . 2]" 1 201 1 8 PHE QE 1 56 PHE HA . . 3.480 3.068 2.931 3.210 . 0 0 "[ . 1 . 2]" 1 202 1 8 PHE QE 1 56 PHE HB2 . . 4.420 3.972 3.740 4.182 . 0 0 "[ . 1 . 2]" 1 203 1 8 PHE QE 1 59 PHE H . . 5.500 4.070 3.681 4.473 . 0 0 "[ . 1 . 2]" 1 204 1 9 LYS H 1 9 LYS HB2 . . 2.560 2.380 2.302 2.518 . 0 0 "[ . 1 . 2]" 1 205 1 9 LYS H 1 9 LYS HB3 . . 3.720 3.590 3.565 3.617 . 0 0 "[ . 1 . 2]" 1 206 1 9 LYS H 1 9 LYS QD . . 4.260 3.716 2.967 4.253 . 0 0 "[ . 1 . 2]" 1 207 1 9 LYS H 1 9 LYS HE2 . . 5.500 4.931 3.835 5.542 0.042 15 0 "[ . 1 . 2]" 1 208 1 9 LYS H 1 9 LYS HE3 . . 5.500 5.020 3.871 5.566 0.066 17 0 "[ . 1 . 2]" 1 209 1 9 LYS H 1 9 LYS HG2 . . 4.140 3.831 3.440 4.060 . 0 0 "[ . 1 . 2]" 1 210 1 9 LYS H 1 9 LYS HG3 . . 3.910 2.594 2.288 2.744 . 0 0 "[ . 1 . 2]" 1 211 1 9 LYS H 1 10 ARG H . . 3.540 2.384 2.347 2.446 . 0 0 "[ . 1 . 2]" 1 212 1 9 LYS H 1 11 PHE H . . 4.790 4.638 4.481 4.781 . 0 0 "[ . 1 . 2]" 1 213 1 9 LYS HA 1 9 LYS HB3 . . 2.840 2.525 2.446 2.573 . 0 0 "[ . 1 . 2]" 1 214 1 9 LYS HA 1 9 LYS HD2 . . 5.500 4.618 4.371 4.860 . 0 0 "[ . 1 . 2]" 1 215 1 9 LYS HA 1 9 LYS QD . . 4.700 4.029 3.883 4.127 . 0 0 "[ . 1 . 2]" 1 216 1 9 LYS HA 1 9 LYS HD3 . . 5.500 4.452 4.176 4.699 . 0 0 "[ . 1 . 2]" 1 217 1 9 LYS HA 1 9 LYS HG2 . . 3.820 2.648 2.440 3.014 . 0 0 "[ . 1 . 2]" 1 218 1 9 LYS HA 1 9 LYS HG3 . . 3.290 2.853 2.594 3.237 . 0 0 "[ . 1 . 2]" 1 219 1 9 LYS HA 1 10 ARG H . . 3.550 3.425 3.422 3.431 . 0 0 "[ . 1 . 2]" 1 220 1 9 LYS HA 1 11 PHE H . . 5.090 4.360 4.051 4.620 . 0 0 "[ . 1 . 2]" 1 221 1 9 LYS HA 1 12 ASP H . . 3.740 3.075 2.910 3.190 . 0 0 "[ . 1 . 2]" 1 222 1 9 LYS HA 1 12 ASP QB . . 3.290 2.075 1.927 2.197 . 0 0 "[ . 1 . 2]" 1 223 1 9 LYS HA 1 19 ILE MG . . 5.500 3.786 3.565 3.976 . 0 0 "[ . 1 . 2]" 1 224 1 9 LYS HB2 1 9 LYS QD . . 2.530 2.305 2.149 2.534 0.004 8 0 "[ . 1 . 2]" 1 225 1 9 LYS HB2 1 10 ARG H . . 3.390 3.136 3.102 3.164 . 0 0 "[ . 1 . 2]" 1 226 1 9 LYS HB3 1 9 LYS HE2 . . 5.430 4.202 3.060 4.876 . 0 0 "[ . 1 . 2]" 1 227 1 9 LYS HB3 1 9 LYS QE . . 4.660 3.551 2.158 4.200 . 0 0 "[ . 1 . 2]" 1 228 1 9 LYS HB3 1 9 LYS HE3 . . 5.430 4.065 2.193 4.947 . 0 0 "[ . 1 . 2]" 1 229 1 9 LYS HB3 1 10 ARG H . . 5.500 3.958 3.882 4.073 . 0 0 "[ . 1 . 2]" 1 230 1 9 LYS HB3 1 10 ARG HA . . 4.730 4.542 4.435 4.715 . 0 0 "[ . 1 . 2]" 1 231 1 9 LYS HB3 1 12 ASP QB . . 5.500 3.534 3.133 3.864 . 0 0 "[ . 1 . 2]" 1 232 1 10 ARG H 1 10 ARG HB2 . . 2.840 2.257 2.106 2.374 . 0 0 "[ . 1 . 2]" 1 233 1 10 ARG H 1 10 ARG HB3 . . 4.110 2.831 2.684 3.071 . 0 0 "[ . 1 . 2]" 1 234 1 10 ARG H 1 10 ARG HD2 . . 5.500 5.019 4.636 5.529 0.029 6 0 "[ . 1 . 2]" 1 235 1 10 ARG H 1 10 ARG HD3 . . 5.500 5.074 4.750 5.394 . 0 0 "[ . 1 . 2]" 1 236 1 10 ARG H 1 10 ARG HG2 . . 4.680 4.420 4.160 4.507 . 0 0 "[ . 1 . 2]" 1 237 1 10 ARG H 1 10 ARG QG . . 4.060 3.854 3.652 3.939 . 0 0 "[ . 1 . 2]" 1 238 1 10 ARG H 1 10 ARG HG3 . . 4.680 4.245 4.045 4.361 . 0 0 "[ . 1 . 2]" 1 239 1 10 ARG H 1 11 PHE H . . 3.290 2.880 2.806 2.943 . 0 0 "[ . 1 . 2]" 1 240 1 10 ARG H 1 11 PHE HB2 . . 5.500 5.224 5.152 5.272 . 0 0 "[ . 1 . 2]" 1 241 1 10 ARG H 1 12 ASP QB . . 5.500 4.490 4.314 4.693 . 0 0 "[ . 1 . 2]" 1 242 1 10 ARG H 1 19 ILE MG . . 5.460 4.755 4.546 4.928 . 0 0 "[ . 1 . 2]" 1 243 1 10 ARG HA 1 10 ARG HB2 . . 2.960 2.594 2.515 2.726 . 0 0 "[ . 1 . 2]" 1 244 1 10 ARG HA 1 10 ARG HD2 . . 4.760 4.573 4.434 4.731 . 0 0 "[ . 1 . 2]" 1 245 1 10 ARG HA 1 10 ARG HD3 . . 4.760 4.414 3.938 4.667 . 0 0 "[ . 1 . 2]" 1 246 1 10 ARG HA 1 10 ARG QG . . 3.260 2.323 2.072 2.443 . 0 0 "[ . 1 . 2]" 1 247 1 10 ARG HA 1 12 ASP H . . 4.730 4.182 3.834 4.677 . 0 0 "[ . 1 . 2]" 1 248 1 10 ARG HB2 1 11 PHE H . . 4.030 3.535 3.200 3.716 . 0 0 "[ . 1 . 2]" 1 249 1 10 ARG HB2 1 11 PHE HE1 . . 5.500 5.163 4.999 5.377 . 0 0 "[ . 1 . 2]" 1 250 1 10 ARG HB3 1 10 ARG HD2 . . 3.900 2.791 2.496 3.267 . 0 0 "[ . 1 . 2]" 1 251 1 10 ARG HB3 1 10 ARG QD . . 3.270 2.176 1.965 2.350 . 0 0 "[ . 1 . 2]" 1 252 1 10 ARG HB3 1 10 ARG HD3 . . 3.900 2.334 1.993 2.716 . 0 0 "[ . 1 . 2]" 1 253 1 10 ARG HB3 1 11 PHE H . . 3.650 2.341 2.190 2.555 . 0 0 "[ . 1 . 2]" 1 254 1 10 ARG HB3 1 11 PHE HE1 . . 4.350 3.708 3.522 3.930 . 0 0 "[ . 1 . 2]" 1 255 1 10 ARG HB3 1 12 ASP H . . 5.090 4.511 4.410 4.759 . 0 0 "[ . 1 . 2]" 1 256 1 10 ARG QD 1 11 PHE H . . 4.440 4.012 3.574 4.424 . 0 0 "[ . 1 . 2]" 1 257 1 10 ARG QD 1 11 PHE HD1 . . 4.200 3.071 2.457 3.397 . 0 0 "[ . 1 . 2]" 1 258 1 10 ARG QD 1 11 PHE HE1 . . 3.710 2.202 2.102 2.441 . 0 0 "[ . 1 . 2]" 1 259 1 10 ARG HD2 1 11 PHE HD1 . . 4.860 4.677 4.179 4.868 0.008 3 0 "[ . 1 . 2]" 1 260 1 10 ARG HD2 1 11 PHE HE1 . . 4.230 3.603 3.093 3.880 . 0 0 "[ . 1 . 2]" 1 261 1 10 ARG HD3 1 11 PHE HD1 . . 4.860 3.117 2.474 3.481 . 0 0 "[ . 1 . 2]" 1 262 1 10 ARG HD3 1 11 PHE HE1 . . 4.230 2.225 2.113 2.499 . 0 0 "[ . 1 . 2]" 1 263 1 10 ARG QG 1 11 PHE H . . 4.480 3.921 3.576 4.162 . 0 0 "[ . 1 . 2]" 1 264 1 10 ARG QG 1 11 PHE HE1 . . 4.680 3.957 3.495 4.641 . 0 0 "[ . 1 . 2]" 1 265 1 10 ARG HG2 1 11 PHE H . . 5.260 4.127 3.707 4.499 . 0 0 "[ . 1 . 2]" 1 266 1 10 ARG HG2 1 11 PHE HE1 . . 5.470 4.174 3.584 5.197 . 0 0 "[ . 1 . 2]" 1 267 1 10 ARG HG3 1 11 PHE H . . 5.260 4.915 4.701 5.031 . 0 0 "[ . 1 . 2]" 1 268 1 10 ARG HG3 1 11 PHE HE1 . . 5.470 5.036 4.849 5.230 . 0 0 "[ . 1 . 2]" 1 269 1 11 PHE H 1 11 PHE HB2 . . 3.320 2.573 2.535 2.610 . 0 0 "[ . 1 . 2]" 1 270 1 11 PHE H 1 11 PHE HB3 . . 3.730 3.621 3.605 3.654 . 0 0 "[ . 1 . 2]" 1 271 1 11 PHE H 1 12 ASP H . . 2.500 2.430 2.244 2.513 0.013 10 0 "[ . 1 . 2]" 1 272 1 11 PHE H 1 12 ASP HA . . 5.500 5.011 4.904 5.102 . 0 0 "[ . 1 . 2]" 1 273 1 11 PHE H 1 12 ASP QB . . 4.490 4.133 4.012 4.216 . 0 0 "[ . 1 . 2]" 1 274 1 11 PHE H 1 19 ILE HB . . 5.500 4.647 4.416 4.779 . 0 0 "[ . 1 . 2]" 1 275 1 11 PHE H 1 19 ILE MD . . 5.500 3.618 3.435 3.854 . 0 0 "[ . 1 . 2]" 1 276 1 11 PHE H 1 19 ILE MG . . 3.640 3.314 3.024 3.504 . 0 0 "[ . 1 . 2]" 1 277 1 11 PHE HA 1 11 PHE HD1 . . 3.460 2.045 1.997 2.100 . 0 0 "[ . 1 . 2]" 1 278 1 11 PHE HA 1 11 PHE HE1 . . 4.730 4.503 4.457 4.556 . 0 0 "[ . 1 . 2]" 1 279 1 11 PHE HA 1 19 ILE MG . . 5.300 4.316 4.073 4.637 . 0 0 "[ . 1 . 2]" 1 280 1 11 PHE HB2 1 11 PHE HD2 . . 3.310 2.400 2.380 2.436 . 0 0 "[ . 1 . 2]" 1 281 1 11 PHE HB2 1 11 PHE HE2 . . 4.660 4.654 4.643 4.673 0.013 13 0 "[ . 1 . 2]" 1 282 1 11 PHE HB2 1 12 ASP H . . 4.040 3.144 2.725 3.519 . 0 0 "[ . 1 . 2]" 1 283 1 11 PHE HB2 1 19 ILE HB . . 3.650 2.217 1.991 2.395 . 0 0 "[ . 1 . 2]" 1 284 1 11 PHE HB2 1 19 ILE MD . . 3.780 2.561 2.384 2.729 . 0 0 "[ . 1 . 2]" 1 285 1 11 PHE HB2 1 19 ILE MG . . 3.000 2.206 1.996 2.407 . 0 0 "[ . 1 . 2]" 1 286 1 11 PHE HB2 1 20 SER H . . 5.500 4.586 4.351 4.746 . 0 0 "[ . 1 . 2]" 1 287 1 11 PHE HB3 1 11 PHE HD2 . . 3.690 3.081 3.027 3.116 . 0 0 "[ . 1 . 2]" 1 288 1 11 PHE HB3 1 12 ASP H . . 4.640 4.126 3.846 4.356 . 0 0 "[ . 1 . 2]" 1 289 1 11 PHE HB3 1 19 ILE HB . . 3.330 2.956 2.661 3.167 . 0 0 "[ . 1 . 2]" 1 290 1 11 PHE HB3 1 19 ILE MG . . 4.160 3.464 3.244 3.670 . 0 0 "[ . 1 . 2]" 1 291 1 11 PHE HB3 1 20 SER H . . 5.500 4.129 3.730 4.361 . 0 0 "[ . 1 . 2]" 1 292 1 11 PHE HD1 1 24 LEU HA . . 5.500 5.443 5.187 5.541 0.041 11 0 "[ . 1 . 2]" 1 293 1 11 PHE HD2 1 19 ILE MD . . 3.490 2.215 1.979 2.337 . 0 0 "[ . 1 . 2]" 1 294 1 11 PHE HD2 1 19 ILE MG . . 4.030 3.591 3.291 3.714 . 0 0 "[ . 1 . 2]" 1 295 1 11 PHE HD2 1 20 SER H . . 5.500 5.259 4.976 5.416 . 0 0 "[ . 1 . 2]" 1 296 1 11 PHE HD2 1 24 LEU HA . . 5.390 4.660 4.489 4.866 . 0 0 "[ . 1 . 2]" 1 297 1 11 PHE HD2 1 24 LEU HB2 . . 5.200 3.152 3.028 3.444 . 0 0 "[ . 1 . 2]" 1 298 1 11 PHE HE2 1 24 LEU H . . 5.500 5.466 5.304 5.530 0.030 17 0 "[ . 1 . 2]" 1 299 1 11 PHE HE2 1 24 LEU HA . . 3.840 3.875 3.851 3.906 0.066 13 0 "[ . 1 . 2]" 1 300 1 11 PHE HE2 1 24 LEU HB2 . . 5.500 2.749 2.546 2.832 . 0 0 "[ . 1 . 2]" 1 301 1 11 PHE HE2 1 24 LEU MD2 . . 3.850 2.283 2.133 2.527 . 0 0 "[ . 1 . 2]" 1 302 1 11 PHE HE2 1 24 LEU HG . . 5.290 2.324 2.109 2.600 . 0 0 "[ . 1 . 2]" 1 303 1 12 ASP H 1 12 ASP QB . . 3.060 2.244 2.098 2.335 . 0 0 "[ . 1 . 2]" 1 304 1 12 ASP H 1 13 THR H . . 5.500 3.714 3.247 4.572 . 0 0 "[ . 1 . 2]" 1 305 1 12 ASP H 1 14 ASN H . . 5.500 5.299 5.092 5.521 0.021 4 0 "[ . 1 . 2]" 1 306 1 12 ASP H 1 19 ILE MD . . 5.290 4.187 3.770 4.700 . 0 0 "[ . 1 . 2]" 1 307 1 12 ASP H 1 19 ILE MG . . 3.530 2.691 2.239 3.205 . 0 0 "[ . 1 . 2]" 1 308 1 12 ASP HA 1 13 THR H . . 3.040 2.497 2.158 2.717 . 0 0 "[ . 1 . 2]" 1 309 1 12 ASP HA 1 19 ILE MG . . 4.770 2.473 2.310 2.693 . 0 0 "[ . 1 . 2]" 1 310 1 12 ASP QB 1 13 THR H . . 4.480 3.956 3.560 4.028 . 0 0 "[ . 1 . 2]" 1 311 1 12 ASP QB 1 14 ASN HD21 . . 5.500 4.647 3.693 4.820 . 0 0 "[ . 1 . 2]" 1 312 1 12 ASP QB 1 19 ILE MD . . 5.290 4.166 3.833 4.707 . 0 0 "[ . 1 . 2]" 1 313 1 12 ASP QB 1 19 ILE MG . . 3.550 2.283 2.019 2.850 . 0 0 "[ . 1 . 2]" 1 314 1 13 THR H 1 13 THR HB . . 3.960 2.787 2.732 2.836 . 0 0 "[ . 1 . 2]" 1 315 1 13 THR H 1 14 ASN H . . 3.240 2.475 2.445 2.572 . 0 0 "[ . 1 . 2]" 1 316 1 13 THR H 1 14 ASN HD21 . . 4.290 3.877 3.087 4.307 0.017 13 0 "[ . 1 . 2]" 1 317 1 13 THR H 1 14 ASN HD22 . . 4.550 3.726 3.119 4.568 0.018 12 0 "[ . 1 . 2]" 1 318 1 13 THR H 1 19 ILE MG . . 4.680 4.321 4.193 4.419 . 0 0 "[ . 1 . 2]" 1 319 1 13 THR HA 1 13 THR HB . . 3.010 3.001 2.992 3.010 0.000 3 0 "[ . 1 . 2]" 1 320 1 13 THR HA 1 13 THR MG . . 3.700 2.197 2.136 2.265 . 0 0 "[ . 1 . 2]" 1 321 1 13 THR HA 1 15 GLY H . . 4.750 3.843 3.444 4.482 . 0 0 "[ . 1 . 2]" 1 322 1 13 THR HB 1 14 ASN H . . 3.860 3.700 3.098 3.780 . 0 0 "[ . 1 . 2]" 1 323 1 13 THR HB 1 14 ASN HA . . 4.550 4.426 4.347 4.515 . 0 0 "[ . 1 . 2]" 1 324 1 13 THR HB 1 15 GLY H . . 5.500 5.365 4.960 5.507 0.007 6 0 "[ . 1 . 2]" 1 325 1 13 THR MG 1 14 ASN HA . . 4.670 4.304 4.182 4.364 . 0 0 "[ . 1 . 2]" 1 326 1 14 ASN H 1 14 ASN HB2 . . 3.930 3.430 2.814 3.764 . 0 0 "[ . 1 . 2]" 1 327 1 14 ASN H 1 14 ASN HB3 . . 3.930 3.363 2.682 3.700 . 0 0 "[ . 1 . 2]" 1 328 1 14 ASN H 1 14 ASN HD21 . . 4.320 2.205 1.890 2.351 . 0 0 "[ . 1 . 2]" 1 329 1 14 ASN H 1 14 ASN HD22 . . 4.750 2.908 2.772 3.218 . 0 0 "[ . 1 . 2]" 1 330 1 14 ASN H 1 15 GLY H . . 2.970 2.088 1.894 2.322 . 0 0 "[ . 1 . 2]" 1 331 1 14 ASN H 1 15 GLY HA2 . . 5.000 4.369 4.208 4.560 . 0 0 "[ . 1 . 2]" 1 332 1 14 ASN H 1 15 GLY QA . . 4.200 4.049 3.909 4.203 0.003 11 0 "[ . 1 . 2]" 1 333 1 14 ASN H 1 15 GLY HA3 . . 5.000 4.788 4.640 4.923 . 0 0 "[ . 1 . 2]" 1 334 1 14 ASN HA 1 14 ASN HD21 . . 4.180 3.920 3.775 4.127 . 0 0 "[ . 1 . 2]" 1 335 1 14 ASN HA 1 14 ASN HD22 . . 5.040 4.913 4.663 5.064 0.024 11 0 "[ . 1 . 2]" 1 336 1 14 ASN QB 1 16 ASP H . . 4.170 3.272 2.525 4.197 0.027 11 0 "[ . 1 . 2]" 1 337 1 14 ASN HB2 1 15 GLY H . . 5.470 3.812 3.161 4.185 . 0 0 "[ . 1 . 2]" 1 338 1 14 ASN HB3 1 15 GLY H . . 5.470 4.388 4.044 4.628 . 0 0 "[ . 1 . 2]" 1 339 1 14 ASN HD21 1 15 GLY H . . 3.640 2.895 2.237 3.592 . 0 0 "[ . 1 . 2]" 1 340 1 14 ASN HD21 1 15 GLY QA . . 5.340 4.300 3.722 5.282 . 0 0 "[ . 1 . 2]" 1 341 1 14 ASN HD21 1 16 ASP H . . 4.050 2.413 1.878 3.548 . 0 0 "[ . 1 . 2]" 1 342 1 14 ASN HD22 1 16 ASP HB2 . . 5.500 3.678 1.943 5.512 0.012 4 0 "[ . 1 . 2]" 1 343 1 14 ASN HD22 1 16 ASP HB3 . . 5.500 4.075 1.980 5.518 0.018 4 0 "[ . 1 . 2]" 1 344 1 15 GLY H 1 16 ASP H . . 3.330 2.490 2.127 2.686 . 0 0 "[ . 1 . 2]" 1 345 1 15 GLY H 1 16 ASP HA . . 5.500 5.099 4.861 5.277 . 0 0 "[ . 1 . 2]" 1 346 1 16 ASP H 1 16 ASP HB2 . . 3.560 2.583 2.200 3.590 0.030 14 0 "[ . 1 . 2]" 1 347 1 16 ASP H 1 16 ASP QB . . 2.840 2.362 2.147 2.698 . 0 0 "[ . 1 . 2]" 1 348 1 16 ASP H 1 16 ASP HB3 . . 3.560 3.154 2.573 3.627 0.067 18 0 "[ . 1 . 2]" 1 349 1 16 ASP HA 1 17 GLY QA . . 5.340 3.936 3.895 4.034 . 0 0 "[ . 1 . 2]" 1 350 1 16 ASP QB 1 18 LYS H . . 5.340 2.769 2.142 5.401 0.061 4 0 "[ . 1 . 2]" 1 351 1 17 GLY H 1 18 LYS H . . 4.030 2.747 2.351 4.122 0.092 4 0 "[ . 1 . 2]" 1 352 1 18 LYS H 1 18 LYS HB2 . . 3.440 2.841 2.543 2.956 . 0 0 "[ . 1 . 2]" 1 353 1 18 LYS H 1 18 LYS QE . . 5.340 4.418 3.415 4.948 . 0 0 "[ . 1 . 2]" 1 354 1 18 LYS H 1 18 LYS HG2 . . 4.470 4.087 3.696 4.248 . 0 0 "[ . 1 . 2]" 1 355 1 18 LYS H 1 18 LYS HG3 . . 3.670 3.163 2.514 3.610 . 0 0 "[ . 1 . 2]" 1 356 1 18 LYS H 1 19 ILE H . . 5.500 4.416 4.388 4.523 . 0 0 "[ . 1 . 2]" 1 357 1 18 LYS H 1 19 ILE MG . . 5.500 4.292 4.011 4.767 . 0 0 "[ . 1 . 2]" 1 358 1 18 LYS HA 1 18 LYS HG2 . . 3.290 2.554 2.361 2.741 . 0 0 "[ . 1 . 2]" 1 359 1 18 LYS HA 1 18 LYS HG3 . . 4.080 3.147 3.108 3.180 . 0 0 "[ . 1 . 2]" 1 360 1 18 LYS HA 1 19 ILE H . . 2.970 2.458 2.405 2.515 . 0 0 "[ . 1 . 2]" 1 361 1 18 LYS HA 1 19 ILE QG . . 5.000 3.616 3.575 3.716 . 0 0 "[ . 1 . 2]" 1 362 1 18 LYS HA 1 19 ILE MG . . 4.880 3.506 3.380 3.557 . 0 0 "[ . 1 . 2]" 1 363 1 18 LYS HA 1 54 ILE H . . 5.500 3.884 3.714 4.189 . 0 0 "[ . 1 . 2]" 1 364 1 18 LYS HA 1 55 ASP HA . . 3.190 2.602 2.400 2.795 . 0 0 "[ . 1 . 2]" 1 365 1 18 LYS HA 1 55 ASP QB . . 4.310 4.365 4.301 4.458 0.148 4 0 "[ . 1 . 2]" 1 366 1 18 LYS HA 1 56 PHE H . . 5.230 4.746 4.557 4.972 . 0 0 "[ . 1 . 2]" 1 367 1 18 LYS HB2 1 18 LYS HD2 . . 4.210 2.564 2.287 3.237 . 0 0 "[ . 1 . 2]" 1 368 1 18 LYS HB2 1 18 LYS HG3 . . 3.010 2.427 2.353 2.495 . 0 0 "[ . 1 . 2]" 1 369 1 18 LYS HB2 1 19 ILE H . . 4.050 3.481 3.284 3.634 . 0 0 "[ . 1 . 2]" 1 370 1 18 LYS HB2 1 53 PHE HB2 . . 4.570 3.968 3.766 4.339 . 0 0 "[ . 1 . 2]" 1 371 1 18 LYS HB2 1 53 PHE HB3 . . 3.690 2.445 2.200 2.794 . 0 0 "[ . 1 . 2]" 1 372 1 18 LYS HB2 1 53 PHE HD1 . . 3.890 2.909 2.581 3.326 . 0 0 "[ . 1 . 2]" 1 373 1 18 LYS HB3 1 18 LYS HD2 . . 2.950 2.431 2.201 2.686 . 0 0 "[ . 1 . 2]" 1 374 1 18 LYS HB3 1 19 ILE H . . 3.790 2.334 2.218 2.426 . 0 0 "[ . 1 . 2]" 1 375 1 18 LYS HB3 1 53 PHE HB2 . . 3.940 3.851 3.734 3.973 0.033 16 0 "[ . 1 . 2]" 1 376 1 18 LYS HB3 1 53 PHE HB3 . . 3.190 2.124 1.987 2.464 . 0 0 "[ . 1 . 2]" 1 377 1 18 LYS HB3 1 53 PHE HD1 . . 3.830 2.948 2.621 3.841 0.011 13 0 "[ . 1 . 2]" 1 378 1 18 LYS HB3 1 54 ILE H . . 3.860 2.408 2.224 2.570 . 0 0 "[ . 1 . 2]" 1 379 1 18 LYS HB3 1 55 ASP HA . . 3.860 3.768 3.511 3.966 0.106 17 0 "[ . 1 . 2]" 1 380 1 18 LYS HD2 1 53 PHE HB2 . . 3.910 3.092 2.988 3.467 . 0 0 "[ . 1 . 2]" 1 381 1 18 LYS HD2 1 53 PHE HB3 . . 4.770 2.171 1.994 2.618 . 0 0 "[ . 1 . 2]" 1 382 1 18 LYS HD3 1 53 PHE HB2 . . 4.730 4.505 3.965 4.826 0.096 17 0 "[ . 1 . 2]" 1 383 1 18 LYS HD3 1 55 ASP QB . . 5.340 3.934 2.934 4.278 . 0 0 "[ . 1 . 2]" 1 384 1 18 LYS QE 1 18 LYS HG2 . . 3.620 3.031 2.726 3.306 . 0 0 "[ . 1 . 2]" 1 385 1 18 LYS QE 1 18 LYS HG3 . . 2.780 2.134 1.978 2.406 . 0 0 "[ . 1 . 2]" 1 386 1 18 LYS HE2 1 18 LYS HG3 . . 3.220 2.472 2.008 3.103 . 0 0 "[ . 1 . 2]" 1 387 1 18 LYS HE3 1 18 LYS HG3 . . 3.220 2.586 2.002 3.217 . 0 0 "[ . 1 . 2]" 1 388 1 18 LYS HG2 1 53 PHE HB2 . . 5.500 5.550 5.400 5.606 0.106 4 0 "[ . 1 . 2]" 1 389 1 18 LYS HG2 1 53 PHE HB3 . . 5.090 4.069 3.984 4.416 . 0 0 "[ . 1 . 2]" 1 390 1 18 LYS HG2 1 55 ASP H . . 4.720 3.561 3.106 3.973 . 0 0 "[ . 1 . 2]" 1 391 1 18 LYS HG2 1 55 ASP HA . . 3.330 2.435 2.112 2.818 . 0 0 "[ . 1 . 2]" 1 392 1 18 LYS HG2 1 55 ASP HB2 . . 4.200 3.905 2.845 4.235 0.035 13 0 "[ . 1 . 2]" 1 393 1 18 LYS HG2 1 55 ASP QB . . 3.470 3.071 2.780 3.195 . 0 0 "[ . 1 . 2]" 1 394 1 18 LYS HG2 1 55 ASP HB3 . . 4.200 3.392 3.088 4.194 . 0 0 "[ . 1 . 2]" 1 395 1 18 LYS HG3 1 19 ILE H . . 5.090 4.842 4.777 4.899 . 0 0 "[ . 1 . 2]" 1 396 1 18 LYS HG3 1 53 PHE HB2 . . 5.500 5.571 5.537 5.594 0.094 4 0 "[ . 1 . 2]" 1 397 1 18 LYS HG3 1 53 PHE HB3 . . 5.500 4.198 4.116 4.455 . 0 0 "[ . 1 . 2]" 1 398 1 18 LYS HG3 1 55 ASP HA . . 4.540 3.940 3.575 4.219 . 0 0 "[ . 1 . 2]" 1 399 1 18 LYS HG3 1 55 ASP QB . . 5.340 4.256 3.929 4.435 . 0 0 "[ . 1 . 2]" 1 400 1 19 ILE H 1 19 ILE MD . . 5.210 3.903 3.836 4.044 . 0 0 "[ . 1 . 2]" 1 401 1 19 ILE H 1 19 ILE QG . . 3.040 2.199 2.119 2.367 . 0 0 "[ . 1 . 2]" 1 402 1 19 ILE H 1 19 ILE MG . . 3.600 3.058 2.993 3.122 . 0 0 "[ . 1 . 2]" 1 403 1 19 ILE H 1 53 PHE HB2 . . 5.500 5.343 5.283 5.387 . 0 0 "[ . 1 . 2]" 1 404 1 19 ILE H 1 53 PHE HB3 . . 3.680 3.755 3.682 3.829 0.149 5 0 "[ . 1 . 2]" 1 405 1 19 ILE H 1 53 PHE HD1 . . 5.500 2.944 2.743 3.950 . 0 0 "[ . 1 . 2]" 1 406 1 19 ILE H 1 54 ILE QG . . 5.440 2.684 2.537 2.807 . 0 0 "[ . 1 . 2]" 1 407 1 19 ILE H 1 55 ASP HA . . 4.130 4.063 3.956 4.174 0.044 17 0 "[ . 1 . 2]" 1 408 1 19 ILE HA 1 20 SER H . . 3.160 2.196 2.185 2.229 . 0 0 "[ . 1 . 2]" 1 409 1 19 ILE HB 1 19 ILE MD . . 3.250 2.419 2.394 2.429 . 0 0 "[ . 1 . 2]" 1 410 1 19 ILE HB 1 20 SER H . . 3.140 2.994 2.859 3.045 . 0 0 "[ . 1 . 2]" 1 411 1 19 ILE MD 1 19 ILE MG . . 2.530 1.938 1.897 1.989 . 0 0 "[ . 1 . 2]" 1 412 1 19 ILE MD 1 54 ILE H . . 5.500 4.717 4.687 4.739 . 0 0 "[ . 1 . 2]" 1 413 1 19 ILE MD 1 54 ILE MD . . 4.730 2.398 2.292 2.485 . 0 0 "[ . 1 . 2]" 1 414 1 19 ILE MD 1 54 ILE QG . . 3.640 2.861 2.716 3.043 . 0 0 "[ . 1 . 2]" 1 415 1 19 ILE MD 1 59 PHE HB2 . . 3.200 2.940 2.778 3.044 . 0 0 "[ . 1 . 2]" 1 416 1 19 ILE MD 1 59 PHE HD2 . . 4.820 3.693 3.015 3.973 . 0 0 "[ . 1 . 2]" 1 417 1 19 ILE QG 1 19 ILE MG . . 3.190 2.282 2.234 2.324 . 0 0 "[ . 1 . 2]" 1 418 1 19 ILE QG 1 20 SER H . . 4.710 4.009 3.839 4.064 . 0 0 "[ . 1 . 2]" 1 419 1 19 ILE QG 1 20 SER QB . . 5.340 5.079 5.037 5.239 . 0 0 "[ . 1 . 2]" 1 420 1 19 ILE QG 1 21 LEU H . . 4.910 4.746 4.653 4.790 . 0 0 "[ . 1 . 2]" 1 421 1 19 ILE QG 1 54 ILE H . . 4.110 3.083 3.063 3.115 . 0 0 "[ . 1 . 2]" 1 422 1 19 ILE QG 1 54 ILE HA . . 5.500 4.795 4.705 4.833 . 0 0 "[ . 1 . 2]" 1 423 1 19 ILE QG 1 54 ILE HB . . 5.500 4.070 3.970 4.185 . 0 0 "[ . 1 . 2]" 1 424 1 19 ILE QG 1 54 ILE QG . . 3.200 1.788 1.742 1.822 . 0 0 "[ . 1 . 2]" 1 425 1 19 ILE QG 1 59 PHE H . . 5.500 5.033 4.945 5.121 . 0 0 "[ . 1 . 2]" 1 426 1 19 ILE QG 1 59 PHE HB2 . . 4.520 3.530 3.350 3.678 . 0 0 "[ . 1 . 2]" 1 427 1 19 ILE MG 1 20 SER H . . 4.070 3.799 3.760 3.837 . 0 0 "[ . 1 . 2]" 1 428 1 19 ILE MG 1 54 ILE H . . 5.500 4.625 4.538 4.761 . 0 0 "[ . 1 . 2]" 1 429 1 19 ILE MG 1 54 ILE QG . . 5.500 3.934 3.789 4.066 . 0 0 "[ . 1 . 2]" 1 430 1 19 ILE MG 1 55 ASP HA . . 5.500 5.086 4.899 5.189 . 0 0 "[ . 1 . 2]" 1 431 1 20 SER H 1 20 SER QB . . 2.900 2.179 2.051 2.878 . 0 0 "[ . 1 . 2]" 1 432 1 20 SER H 1 22 SER H . . 5.500 5.601 5.559 5.633 0.133 5 0 "[ . 1 . 2]" 1 433 1 20 SER H 1 23 GLU H . . 5.500 5.529 5.453 5.596 0.096 5 0 "[ . 1 . 2]" 1 434 1 20 SER H 1 23 GLU QG . . 5.340 4.827 3.790 5.345 0.005 17 0 "[ . 1 . 2]" 1 435 1 20 SER H 1 53 PHE HA . . 4.930 3.925 3.805 4.200 . 0 0 "[ . 1 . 2]" 1 436 1 20 SER H 1 53 PHE HD1 . . 4.890 3.175 3.046 3.585 . 0 0 "[ . 1 . 2]" 1 437 1 20 SER HA 1 21 LEU H . . 2.890 2.142 2.139 2.150 . 0 0 "[ . 1 . 2]" 1 438 1 20 SER HA 1 21 LEU HB3 . . 5.330 4.849 4.808 4.867 . 0 0 "[ . 1 . 2]" 1 439 1 20 SER HA 1 21 LEU MD1 . . 4.190 3.863 3.743 4.007 . 0 0 "[ . 1 . 2]" 1 440 1 20 SER HA 1 21 LEU HG . . 5.500 3.605 3.582 3.619 . 0 0 "[ . 1 . 2]" 1 441 1 20 SER HA 1 22 SER H . . 4.090 3.517 3.473 3.564 . 0 0 "[ . 1 . 2]" 1 442 1 20 SER HA 1 53 PHE HA . . 3.490 2.283 2.156 2.450 . 0 0 "[ . 1 . 2]" 1 443 1 20 SER HA 1 53 PHE HB3 . . 5.500 4.674 4.421 4.793 . 0 0 "[ . 1 . 2]" 1 444 1 20 SER HA 1 53 PHE HD1 . . 3.620 3.464 3.371 3.591 . 0 0 "[ . 1 . 2]" 1 445 1 20 SER HA 1 53 PHE HE1 . . 4.320 4.324 4.274 4.403 0.083 13 0 "[ . 1 . 2]" 1 446 1 20 SER HA 1 54 ILE H . . 4.200 4.105 3.984 4.228 0.028 11 0 "[ . 1 . 2]" 1 447 1 20 SER HA 1 54 ILE MG . . 5.500 4.842 4.375 5.046 . 0 0 "[ . 1 . 2]" 1 448 1 20 SER QB 1 21 LEU H . . 4.150 3.690 3.245 3.779 . 0 0 "[ . 1 . 2]" 1 449 1 20 SER QB 1 22 SER H . . 3.900 3.570 2.937 3.865 . 0 0 "[ . 1 . 2]" 1 450 1 20 SER QB 1 23 GLU H . . 3.770 2.773 2.217 3.372 . 0 0 "[ . 1 . 2]" 1 451 1 20 SER QB 1 23 GLU QG . . 3.520 2.444 2.026 2.665 . 0 0 "[ . 1 . 2]" 1 452 1 20 SER QB 1 24 LEU H . . 5.340 3.801 3.525 4.420 . 0 0 "[ . 1 . 2]" 1 453 1 20 SER QB 1 53 PHE HD1 . . 4.740 4.242 3.899 4.454 . 0 0 "[ . 1 . 2]" 1 454 1 20 SER QB 1 53 PHE HE1 . . 3.880 3.632 3.453 3.903 0.023 3 0 "[ . 1 . 2]" 1 455 1 20 SER HB2 1 53 PHE HA . . 5.500 4.592 4.197 5.083 . 0 0 "[ . 1 . 2]" 1 456 1 20 SER HB3 1 53 PHE HA . . 5.500 5.114 4.331 5.387 . 0 0 "[ . 1 . 2]" 1 457 1 21 LEU H 1 21 LEU HB3 . . 3.120 3.016 2.979 3.059 . 0 0 "[ . 1 . 2]" 1 458 1 21 LEU H 1 21 LEU MD1 . . 3.740 2.293 2.178 2.440 . 0 0 "[ . 1 . 2]" 1 459 1 21 LEU H 1 21 LEU MD2 . . 5.500 3.560 3.534 3.576 . 0 0 "[ . 1 . 2]" 1 460 1 21 LEU H 1 21 LEU HG . . 3.290 1.841 1.812 1.871 . 0 0 "[ . 1 . 2]" 1 461 1 21 LEU H 1 22 SER H . . 3.230 2.319 2.259 2.370 . 0 0 "[ . 1 . 2]" 1 462 1 21 LEU H 1 23 GLU H . . 4.420 4.252 4.176 4.319 . 0 0 "[ . 1 . 2]" 1 463 1 21 LEU H 1 24 LEU H . . 5.500 4.872 4.829 4.927 . 0 0 "[ . 1 . 2]" 1 464 1 21 LEU H 1 52 GLY QA . . 5.340 3.158 3.023 3.349 . 0 0 "[ . 1 . 2]" 1 465 1 21 LEU H 1 53 PHE HA . . 3.680 3.009 2.858 3.184 . 0 0 "[ . 1 . 2]" 1 466 1 21 LEU H 1 54 ILE H . . 4.600 4.386 4.269 4.494 . 0 0 "[ . 1 . 2]" 1 467 1 21 LEU H 1 54 ILE MG . . 5.500 3.717 3.253 3.963 . 0 0 "[ . 1 . 2]" 1 468 1 21 LEU HA 1 21 LEU HG . . 3.870 3.661 3.652 3.671 . 0 0 "[ . 1 . 2]" 1 469 1 21 LEU HA 1 23 GLU H . . 5.500 4.537 4.460 4.610 . 0 0 "[ . 1 . 2]" 1 470 1 21 LEU HA 1 24 LEU H . . 3.450 3.510 3.445 3.551 0.101 10 0 "[ . 1 . 2]" 1 471 1 21 LEU HA 1 24 LEU HB2 . . 3.290 3.380 3.328 3.414 0.124 4 0 "[ . 1 . 2]" 1 472 1 21 LEU HA 1 24 LEU HB3 . . 3.720 2.666 2.601 2.702 . 0 0 "[ . 1 . 2]" 1 473 1 21 LEU HA 1 24 LEU MD1 . . 3.780 3.698 3.664 3.732 . 0 0 "[ . 1 . 2]" 1 474 1 21 LEU HA 1 25 THR H . . 5.500 4.435 4.341 4.545 . 0 0 "[ . 1 . 2]" 1 475 1 21 LEU HA 1 54 ILE MD . . 5.500 3.230 3.027 3.365 . 0 0 "[ . 1 . 2]" 1 476 1 21 LEU HB2 1 22 SER H . . 4.450 3.895 3.869 3.932 . 0 0 "[ . 1 . 2]" 1 477 1 21 LEU HB2 1 22 SER HA . . 5.450 4.356 4.335 4.392 . 0 0 "[ . 1 . 2]" 1 478 1 21 LEU HB3 1 22 SER H . . 4.880 4.344 4.335 4.360 . 0 0 "[ . 1 . 2]" 1 479 1 21 LEU HB3 1 53 PHE H . . 5.500 4.926 4.582 5.117 . 0 0 "[ . 1 . 2]" 1 480 1 21 LEU HB3 1 53 PHE HA . . 5.080 4.704 4.487 4.878 . 0 0 "[ . 1 . 2]" 1 481 1 21 LEU HB3 1 54 ILE H . . 5.090 4.693 4.538 4.891 . 0 0 "[ . 1 . 2]" 1 482 1 21 LEU HB3 1 54 ILE HB . . 5.500 4.458 4.318 4.631 . 0 0 "[ . 1 . 2]" 1 483 1 21 LEU HB3 1 54 ILE MD . . 4.350 2.781 2.581 2.932 . 0 0 "[ . 1 . 2]" 1 484 1 21 LEU HB3 1 54 ILE MG . . 4.700 1.958 1.838 2.216 . 0 0 "[ . 1 . 2]" 1 485 1 21 LEU MD1 1 22 SER H . . 3.900 1.957 1.910 2.059 . 0 0 "[ . 1 . 2]" 1 486 1 21 LEU MD1 1 22 SER HA . . 5.500 2.935 2.884 2.973 . 0 0 "[ . 1 . 2]" 1 487 1 21 LEU MD1 1 23 GLU H . . 5.400 4.130 4.078 4.207 . 0 0 "[ . 1 . 2]" 1 488 1 21 LEU MD1 1 47 ASP HB2 . . 5.500 4.072 3.949 4.190 . 0 0 "[ . 1 . 2]" 1 489 1 21 LEU MD1 1 47 ASP HB3 . . 5.500 4.622 4.367 4.710 . 0 0 "[ . 1 . 2]" 1 490 1 21 LEU MD1 1 52 GLY QA . . 5.260 2.099 1.899 2.323 . 0 0 "[ . 1 . 2]" 1 491 1 21 LEU MD1 1 53 PHE HA . . 5.500 4.446 4.422 4.493 . 0 0 "[ . 1 . 2]" 1 492 1 21 LEU MD2 1 44 ALA HA . . 4.930 3.630 3.399 4.257 . 0 0 "[ . 1 . 2]" 1 493 1 21 LEU MD2 1 47 ASP H . . 5.500 3.766 3.620 3.902 . 0 0 "[ . 1 . 2]" 1 494 1 21 LEU MD2 1 47 ASP HA . . 5.240 3.491 3.375 3.608 . 0 0 "[ . 1 . 2]" 1 495 1 21 LEU MD2 1 47 ASP HB2 . . 4.270 1.901 1.859 1.937 . 0 0 "[ . 1 . 2]" 1 496 1 21 LEU MD2 1 47 ASP QB . . 3.720 1.876 1.836 1.910 . 0 0 "[ . 1 . 2]" 1 497 1 21 LEU MD2 1 47 ASP HB3 . . 4.270 2.882 2.721 2.972 . 0 0 "[ . 1 . 2]" 1 498 1 21 LEU MD2 1 48 THR H . . 5.500 5.068 5.010 5.187 . 0 0 "[ . 1 . 2]" 1 499 1 21 LEU MD2 1 52 GLY QA . . 5.340 3.630 3.390 3.814 . 0 0 "[ . 1 . 2]" 1 500 1 21 LEU MD2 1 53 PHE H . . 5.500 2.983 2.679 3.342 . 0 0 "[ . 1 . 2]" 1 501 1 21 LEU HG 1 22 SER H . . 3.240 3.497 3.412 3.556 0.316 14 0 "[ . 1 . 2]" 1 502 1 21 LEU HG 1 22 SER HA . . 5.500 5.481 5.383 5.529 0.029 20 0 "[ . 1 . 2]" 1 503 1 21 LEU HG 1 22 SER QB . . 5.070 5.070 5.009 5.108 0.038 15 0 "[ . 1 . 2]" 1 504 1 21 LEU HG 1 47 ASP QB . . 5.330 4.358 4.249 4.497 . 0 0 "[ . 1 . 2]" 1 505 1 21 LEU HG 1 52 GLY QA . . 5.330 2.980 2.755 3.176 . 0 0 "[ . 1 . 2]" 1 506 1 21 LEU HG 1 53 PHE H . . 5.500 2.680 2.336 2.870 . 0 0 "[ . 1 . 2]" 1 507 1 21 LEU HG 1 53 PHE HA . . 5.100 3.339 3.192 3.464 . 0 0 "[ . 1 . 2]" 1 508 1 21 LEU HG 1 54 ILE H . . 5.500 4.343 4.249 4.419 . 0 0 "[ . 1 . 2]" 1 509 1 21 LEU HG 1 54 ILE MG . . 3.820 2.670 2.332 2.833 . 0 0 "[ . 1 . 2]" 1 510 1 22 SER H 1 22 SER QB . . 3.510 2.381 2.171 2.838 . 0 0 "[ . 1 . 2]" 1 511 1 22 SER H 1 23 GLU H . . 2.740 2.459 2.432 2.513 . 0 0 "[ . 1 . 2]" 1 512 1 22 SER H 1 23 GLU QG . . 4.890 3.997 3.820 4.104 . 0 0 "[ . 1 . 2]" 1 513 1 22 SER H 1 24 LEU H . . 5.290 3.680 3.652 3.730 . 0 0 "[ . 1 . 2]" 1 514 1 22 SER HA 1 22 SER QB . . 2.570 2.390 2.177 2.490 . 0 0 "[ . 1 . 2]" 1 515 1 22 SER HA 1 24 LEU H . . 5.500 4.092 4.053 4.123 . 0 0 "[ . 1 . 2]" 1 516 1 22 SER HA 1 24 LEU HB3 . . 4.890 4.772 4.696 4.829 . 0 0 "[ . 1 . 2]" 1 517 1 22 SER HA 1 25 THR H . . 4.300 3.989 3.944 4.033 . 0 0 "[ . 1 . 2]" 1 518 1 22 SER HA 1 25 THR MG . . 4.670 2.502 2.436 2.549 . 0 0 "[ . 1 . 2]" 1 519 1 22 SER QB 1 23 GLU H . . 4.020 2.733 2.523 3.239 . 0 0 "[ . 1 . 2]" 1 520 1 22 SER QB 1 26 ASP QB . . 4.480 4.563 4.533 4.582 0.102 18 0 "[ . 1 . 2]" 1 521 1 23 GLU H 1 23 GLU HG2 . . 3.500 2.479 2.147 3.322 . 0 0 "[ . 1 . 2]" 1 522 1 23 GLU H 1 23 GLU QG . . 3.040 2.192 2.120 2.296 . 0 0 "[ . 1 . 2]" 1 523 1 23 GLU H 1 23 GLU HG3 . . 3.500 3.096 2.147 3.518 0.018 7 0 "[ . 1 . 2]" 1 524 1 23 GLU H 1 24 LEU H . . 3.250 2.535 2.493 2.566 . 0 0 "[ . 1 . 2]" 1 525 1 23 GLU H 1 24 LEU HA . . 5.190 5.115 5.078 5.139 . 0 0 "[ . 1 . 2]" 1 526 1 23 GLU H 1 24 LEU HB2 . . 5.500 5.088 5.039 5.131 . 0 0 "[ . 1 . 2]" 1 527 1 23 GLU H 1 25 THR H . . 5.500 4.793 4.766 4.840 . 0 0 "[ . 1 . 2]" 1 528 1 23 GLU H 1 25 THR MG . . 5.310 4.413 4.375 4.453 . 0 0 "[ . 1 . 2]" 1 529 1 23 GLU H 1 26 ASP H . . 5.110 5.005 4.988 5.036 . 0 0 "[ . 1 . 2]" 1 530 1 23 GLU H 1 26 ASP HB2 . . 5.500 5.495 5.451 5.511 0.011 20 0 "[ . 1 . 2]" 1 531 1 23 GLU H 1 26 ASP QB . . 4.820 4.903 4.887 4.913 0.093 17 0 "[ . 1 . 2]" 1 532 1 23 GLU H 1 26 ASP HB3 . . 5.500 5.513 5.488 5.526 0.026 17 0 "[ . 1 . 2]" 1 533 1 23 GLU HA 1 23 GLU QB . . 2.630 2.317 2.176 2.357 . 0 0 "[ . 1 . 2]" 1 534 1 23 GLU HA 1 23 GLU QG . . 3.400 2.790 2.391 3.333 . 0 0 "[ . 1 . 2]" 1 535 1 23 GLU HA 1 24 LEU H . . 3.570 3.460 3.455 3.468 . 0 0 "[ . 1 . 2]" 1 536 1 23 GLU HA 1 25 THR H . . 5.240 4.873 4.846 4.901 . 0 0 "[ . 1 . 2]" 1 537 1 23 GLU HA 1 26 ASP H . . 3.700 3.509 3.482 3.527 . 0 0 "[ . 1 . 2]" 1 538 1 23 GLU HA 1 26 ASP QB . . 3.640 2.685 2.667 2.706 . 0 0 "[ . 1 . 2]" 1 539 1 23 GLU HA 1 27 ALA H . . 4.140 4.183 4.151 4.204 0.064 3 0 "[ . 1 . 2]" 1 540 1 23 GLU QB 1 23 GLU QG . . 2.260 2.047 2.011 2.086 . 0 0 "[ . 1 . 2]" 1 541 1 23 GLU QB 1 27 ALA H . . 4.740 4.666 4.624 4.789 0.049 7 0 "[ . 1 . 2]" 1 542 1 23 GLU QB 1 27 ALA HA . . 5.340 5.493 5.466 5.540 0.200 7 0 "[ . 1 . 2]" 1 543 1 23 GLU QG 1 24 LEU H . . 4.490 3.761 2.412 4.112 . 0 0 "[ . 1 . 2]" 1 544 1 23 GLU HG2 1 24 LEU H . . 5.200 4.180 2.642 5.041 . 0 0 "[ . 1 . 2]" 1 545 1 23 GLU HG3 1 24 LEU H . . 5.200 4.384 2.783 5.080 . 0 0 "[ . 1 . 2]" 1 546 1 24 LEU H 1 24 LEU HB2 . . 3.240 2.768 2.751 2.784 . 0 0 "[ . 1 . 2]" 1 547 1 24 LEU H 1 24 LEU HB3 . . 3.220 2.267 2.255 2.280 . 0 0 "[ . 1 . 2]" 1 548 1 24 LEU H 1 24 LEU MD2 . . 5.460 4.091 4.077 4.102 . 0 0 "[ . 1 . 2]" 1 549 1 24 LEU H 1 24 LEU HG . . 5.340 4.626 4.623 4.629 . 0 0 "[ . 1 . 2]" 1 550 1 24 LEU H 1 25 THR H . . 3.390 2.902 2.876 2.926 . 0 0 "[ . 1 . 2]" 1 551 1 24 LEU H 1 26 ASP H . . 5.500 3.922 3.873 3.962 . 0 0 "[ . 1 . 2]" 1 552 1 24 LEU H 1 27 ALA MB . . 5.500 4.346 4.307 4.366 . 0 0 "[ . 1 . 2]" 1 553 1 24 LEU HA 1 24 LEU MD2 . . 3.550 2.031 1.999 2.059 . 0 0 "[ . 1 . 2]" 1 554 1 24 LEU HA 1 24 LEU HG . . 3.570 3.740 3.731 3.747 0.177 6 0 "[ . 1 . 2]" 1 555 1 24 LEU HA 1 25 THR HA . . 5.500 4.803 4.800 4.807 . 0 0 "[ . 1 . 2]" 1 556 1 24 LEU HA 1 26 ASP H . . 5.500 4.274 4.206 4.322 . 0 0 "[ . 1 . 2]" 1 557 1 24 LEU HA 1 27 ALA H . . 4.200 3.312 3.275 3.330 . 0 0 "[ . 1 . 2]" 1 558 1 24 LEU HA 1 27 ALA MB . . 3.540 2.439 2.398 2.470 . 0 0 "[ . 1 . 2]" 1 559 1 24 LEU HA 1 28 LEU H . . 5.500 3.997 3.935 4.101 . 0 0 "[ . 1 . 2]" 1 560 1 24 LEU HA 1 28 LEU HG . . 4.870 4.542 4.487 4.582 . 0 0 "[ . 1 . 2]" 1 561 1 24 LEU HB2 1 24 LEU MD2 . . 3.560 2.562 2.541 2.584 . 0 0 "[ . 1 . 2]" 1 562 1 24 LEU HB2 1 25 THR H . . 4.100 3.756 3.746 3.765 . 0 0 "[ . 1 . 2]" 1 563 1 24 LEU HB3 1 25 THR H . . 3.600 2.316 2.299 2.336 . 0 0 "[ . 1 . 2]" 1 564 1 24 LEU HB3 1 25 THR HB . . 5.500 4.550 4.520 4.573 . 0 0 "[ . 1 . 2]" 1 565 1 24 LEU MD1 1 25 THR H . . 5.500 2.034 2.000 2.062 . 0 0 "[ . 1 . 2]" 1 566 1 24 LEU MD1 1 25 THR HA . . 5.500 2.137 2.124 2.152 . 0 0 "[ . 1 . 2]" 1 567 1 24 LEU MD1 1 70 MET ME . . 5.500 3.444 3.372 3.476 . 0 0 "[ . 1 . 2]" 1 568 1 24 LEU MD2 1 25 THR H . . 5.500 3.455 3.398 3.512 . 0 0 "[ . 1 . 2]" 1 569 1 24 LEU MD2 1 25 THR HA . . 4.960 3.075 2.967 3.180 . 0 0 "[ . 1 . 2]" 1 570 1 24 LEU MD2 1 27 ALA H . . 5.440 3.788 3.765 3.822 . 0 0 "[ . 1 . 2]" 1 571 1 24 LEU MD2 1 27 ALA MB . . 4.520 2.960 2.932 2.982 . 0 0 "[ . 1 . 2]" 1 572 1 24 LEU MD2 1 28 LEU H . . 5.500 3.035 2.977 3.146 . 0 0 "[ . 1 . 2]" 1 573 1 24 LEU MD2 1 28 LEU HA . . 5.500 3.794 3.746 3.836 . 0 0 "[ . 1 . 2]" 1 574 1 24 LEU MD2 1 28 LEU MD1 . . 5.260 2.438 2.296 2.757 . 0 0 "[ . 1 . 2]" 1 575 1 24 LEU MD2 1 28 LEU MD2 . . 5.480 3.037 2.946 3.068 . 0 0 "[ . 1 . 2]" 1 576 1 24 LEU MD2 1 28 LEU HG . . 4.550 1.820 1.813 1.835 . 0 0 "[ . 1 . 2]" 1 577 1 24 LEU MD2 1 70 MET ME . . 5.500 3.370 3.131 3.588 . 0 0 "[ . 1 . 2]" 1 578 1 24 LEU MD2 1 73 VAL MG1 . . 5.500 3.487 3.206 3.654 . 0 0 "[ . 1 . 2]" 1 579 1 24 LEU HG 1 25 THR H . . 4.890 4.163 4.151 4.175 . 0 0 "[ . 1 . 2]" 1 580 1 24 LEU HG 1 25 THR HA . . 3.980 5.006 4.991 5.020 1.040 9 20 [-*******+***********] 1 581 1 24 LEU HG 1 28 LEU HG . . 4.140 4.544 4.517 4.581 0.441 2 0 "[ . 1 . 2]" 1 582 1 25 THR H 1 25 THR HB . . 3.010 2.712 2.690 2.725 . 0 0 "[ . 1 . 2]" 1 583 1 25 THR H 1 25 THR MG . . 3.310 1.993 1.933 2.061 . 0 0 "[ . 1 . 2]" 1 584 1 25 THR H 1 26 ASP H . . 2.700 2.765 2.755 2.777 0.077 2 0 "[ . 1 . 2]" 1 585 1 25 THR H 1 26 ASP HA . . 5.500 5.366 5.359 5.375 . 0 0 "[ . 1 . 2]" 1 586 1 25 THR H 1 26 ASP QB . . 4.980 4.552 4.544 4.564 . 0 0 "[ . 1 . 2]" 1 587 1 25 THR H 1 27 ALA H . . 4.140 3.964 3.951 3.975 . 0 0 "[ . 1 . 2]" 1 588 1 25 THR H 1 27 ALA MB . . 5.500 4.785 4.760 4.798 . 0 0 "[ . 1 . 2]" 1 589 1 25 THR H 1 28 LEU HG . . 5.500 5.272 5.074 5.384 . 0 0 "[ . 1 . 2]" 1 590 1 25 THR H 1 43 MET ME . . 5.500 3.949 3.503 4.751 . 0 0 "[ . 1 . 2]" 1 591 1 25 THR H 1 43 MET HG2 . . 5.500 4.309 3.905 4.961 . 0 0 "[ . 1 . 2]" 1 592 1 25 THR HA 1 27 ALA H . . 3.940 4.036 4.012 4.056 0.116 13 0 "[ . 1 . 2]" 1 593 1 25 THR HA 1 27 ALA MB . . 5.380 5.029 5.016 5.057 . 0 0 "[ . 1 . 2]" 1 594 1 25 THR HA 1 28 LEU H . . 3.480 3.515 3.484 3.558 0.078 20 0 "[ . 1 . 2]" 1 595 1 25 THR HA 1 28 LEU HB2 . . 3.590 2.843 2.810 2.888 . 0 0 "[ . 1 . 2]" 1 596 1 25 THR HA 1 28 LEU HB3 . . 4.730 4.418 4.388 4.453 . 0 0 "[ . 1 . 2]" 1 597 1 25 THR HA 1 28 LEU MD1 . . 3.490 2.458 2.289 2.585 . 0 0 "[ . 1 . 2]" 1 598 1 25 THR HA 1 28 LEU HG . . 3.960 3.760 3.446 3.961 0.001 20 0 "[ . 1 . 2]" 1 599 1 25 THR HA 1 29 ARG H . . 5.440 5.139 4.644 5.385 . 0 0 "[ . 1 . 2]" 1 600 1 25 THR HB 1 26 ASP H . . 4.140 4.090 4.076 4.107 . 0 0 "[ . 1 . 2]" 1 601 1 25 THR HB 1 28 LEU HB2 . . 5.500 5.142 5.107 5.196 . 0 0 "[ . 1 . 2]" 1 602 1 25 THR HB 1 40 GLN H . . 4.800 3.602 3.531 3.754 . 0 0 "[ . 1 . 2]" 1 603 1 25 THR HB 1 40 GLN HB2 . . 4.040 3.183 3.089 3.321 . 0 0 "[ . 1 . 2]" 1 604 1 25 THR MG 1 26 ASP H . . 4.380 1.952 1.933 2.004 . 0 0 "[ . 1 . 2]" 1 605 1 25 THR MG 1 26 ASP HA . . 4.060 3.642 3.616 3.677 . 0 0 "[ . 1 . 2]" 1 606 1 25 THR MG 1 27 ALA H . . 5.330 4.057 4.046 4.077 . 0 0 "[ . 1 . 2]" 1 607 1 25 THR MG 1 40 GLN H . . 5.290 4.304 4.229 4.484 . 0 0 "[ . 1 . 2]" 1 608 1 25 THR MG 1 40 GLN HA . . 4.310 2.717 2.588 3.008 . 0 0 "[ . 1 . 2]" 1 609 1 25 THR MG 1 40 GLN HB2 . . 3.200 2.323 2.238 2.504 . 0 0 "[ . 1 . 2]" 1 610 1 25 THR MG 1 40 GLN HE22 . . 5.500 5.206 5.173 5.244 . 0 0 "[ . 1 . 2]" 1 611 1 25 THR MG 1 40 GLN HG3 . . 4.010 3.141 3.053 3.353 . 0 0 "[ . 1 . 2]" 1 612 1 26 ASP H 1 26 ASP HB2 . . 3.470 2.362 2.347 2.395 . 0 0 "[ . 1 . 2]" 1 613 1 26 ASP H 1 26 ASP HB3 . . 3.470 2.805 2.782 2.823 . 0 0 "[ . 1 . 2]" 1 614 1 26 ASP H 1 27 ALA H . . 3.160 2.392 2.356 2.407 . 0 0 "[ . 1 . 2]" 1 615 1 26 ASP H 1 27 ALA MB . . 5.170 4.098 4.062 4.114 . 0 0 "[ . 1 . 2]" 1 616 1 26 ASP HA 1 28 LEU HB2 . . 5.500 5.004 4.836 5.105 . 0 0 "[ . 1 . 2]" 1 617 1 26 ASP HA 1 29 ARG H . . 4.230 4.062 4.029 4.127 . 0 0 "[ . 1 . 2]" 1 618 1 26 ASP HA 1 29 ARG HB3 . . 4.990 4.030 3.809 4.601 . 0 0 "[ . 1 . 2]" 1 619 1 26 ASP HA 1 29 ARG HD2 . . 4.050 3.836 3.007 4.082 0.032 3 0 "[ . 1 . 2]" 1 620 1 26 ASP HA 1 29 ARG HD3 . . 4.110 3.711 2.132 4.118 0.008 1 0 "[ . 1 . 2]" 1 621 1 26 ASP HA 1 29 ARG HG2 . . 5.500 4.150 2.976 4.443 . 0 0 "[ . 1 . 2]" 1 622 1 26 ASP HA 1 36 ALA MB . . 5.500 3.707 3.512 3.876 . 0 0 "[ . 1 . 2]" 1 623 1 26 ASP QB 1 27 ALA H . . 3.360 3.031 3.016 3.047 . 0 0 "[ . 1 . 2]" 1 624 1 26 ASP HB2 1 27 ALA H . . 4.060 3.911 3.895 3.934 . 0 0 "[ . 1 . 2]" 1 625 1 26 ASP HB3 1 27 ALA H . . 4.060 3.157 3.139 3.177 . 0 0 "[ . 1 . 2]" 1 626 1 27 ALA H 1 27 ALA MB . . 3.130 2.287 2.278 2.295 . 0 0 "[ . 1 . 2]" 1 627 1 27 ALA H 1 28 LEU H . . 2.770 2.304 2.287 2.325 . 0 0 "[ . 1 . 2]" 1 628 1 27 ALA H 1 28 LEU HB2 . . 4.390 4.134 4.110 4.158 . 0 0 "[ . 1 . 2]" 1 629 1 27 ALA H 1 28 LEU MD1 . . 5.500 5.125 5.111 5.135 . 0 0 "[ . 1 . 2]" 1 630 1 27 ALA H 1 29 ARG H . . 4.880 4.045 3.945 4.329 . 0 0 "[ . 1 . 2]" 1 631 1 27 ALA H 1 29 ARG HG2 . . 4.830 4.642 4.157 4.777 . 0 0 "[ . 1 . 2]" 1 632 1 27 ALA H 1 36 ALA MB . . 5.500 5.054 4.938 5.159 . 0 0 "[ . 1 . 2]" 1 633 1 27 ALA HA 1 28 LEU H . . 3.540 3.507 3.483 3.520 . 0 0 "[ . 1 . 2]" 1 634 1 27 ALA HA 1 28 LEU HB2 . . 5.500 5.482 5.450 5.510 0.010 20 0 "[ . 1 . 2]" 1 635 1 27 ALA HA 1 29 ARG H . . 5.500 3.779 3.582 4.548 . 0 0 "[ . 1 . 2]" 1 636 1 27 ALA MB 1 28 LEU H . . 3.160 2.701 2.637 2.797 . 0 0 "[ . 1 . 2]" 1 637 1 27 ALA MB 1 28 LEU HB2 . . 5.500 4.526 4.477 4.621 . 0 0 "[ . 1 . 2]" 1 638 1 27 ALA MB 1 28 LEU MD2 . . 5.500 4.609 4.578 4.628 . 0 0 "[ . 1 . 2]" 1 639 1 28 LEU H 1 28 LEU HB2 . . 3.300 2.177 2.171 2.191 . 0 0 "[ . 1 . 2]" 1 640 1 28 LEU H 1 28 LEU HB3 . . 3.650 3.490 3.486 3.500 . 0 0 "[ . 1 . 2]" 1 641 1 28 LEU H 1 28 LEU MD1 . . 4.280 3.716 3.690 3.737 . 0 0 "[ . 1 . 2]" 1 642 1 28 LEU H 1 28 LEU MD2 . . 4.690 3.895 3.873 3.920 . 0 0 "[ . 1 . 2]" 1 643 1 28 LEU H 1 28 LEU HG . . 3.010 2.926 2.893 2.944 . 0 0 "[ . 1 . 2]" 1 644 1 28 LEU H 1 29 ARG H . . 3.010 2.781 2.747 2.921 . 0 0 "[ . 1 . 2]" 1 645 1 28 LEU H 1 29 ARG HG2 . . 5.500 4.375 3.807 4.548 . 0 0 "[ . 1 . 2]" 1 646 1 28 LEU H 1 33 SER QB . . 5.340 4.982 4.786 5.032 . 0 0 "[ . 1 . 2]" 1 647 1 28 LEU H 1 36 ALA MB . . 4.620 4.102 3.999 4.198 . 0 0 "[ . 1 . 2]" 1 648 1 28 LEU HA 1 28 LEU MD2 . . 3.310 2.039 1.953 2.213 . 0 0 "[ . 1 . 2]" 1 649 1 28 LEU HA 1 28 LEU HG . . 3.250 2.700 2.690 2.726 . 0 0 "[ . 1 . 2]" 1 650 1 28 LEU HA 1 31 LEU H . . 3.740 3.141 3.011 3.466 . 0 0 "[ . 1 . 2]" 1 651 1 28 LEU HA 1 31 LEU HB2 . . 4.270 2.420 2.213 2.736 . 0 0 "[ . 1 . 2]" 1 652 1 28 LEU HA 1 31 LEU HB3 . . 4.250 3.990 3.794 4.290 0.040 16 0 "[ . 1 . 2]" 1 653 1 28 LEU HA 1 31 LEU MD2 . . 4.870 3.010 2.774 3.406 . 0 0 "[ . 1 . 2]" 1 654 1 28 LEU HA 1 31 LEU HG . . 4.280 3.859 3.621 4.251 . 0 0 "[ . 1 . 2]" 1 655 1 28 LEU HB2 1 28 LEU MD1 . . 3.090 2.330 2.296 2.349 . 0 0 "[ . 1 . 2]" 1 656 1 28 LEU HB2 1 29 ARG H . . 3.420 3.073 2.629 3.175 . 0 0 "[ . 1 . 2]" 1 657 1 28 LEU HB2 1 31 LEU HB2 . . 5.500 5.146 4.936 5.520 0.020 20 0 "[ . 1 . 2]" 1 658 1 28 LEU HB2 1 33 SER HB2 . . 4.040 4.059 4.034 4.268 0.228 16 0 "[ . 1 . 2]" 1 659 1 28 LEU HB2 1 33 SER HB3 . . 4.040 4.043 3.878 4.075 0.035 19 0 "[ . 1 . 2]" 1 660 1 28 LEU HB2 1 36 ALA HA . . 5.080 3.369 3.218 3.491 . 0 0 "[ . 1 . 2]" 1 661 1 28 LEU HB3 1 28 LEU MD1 . . 3.430 2.379 2.353 2.416 . 0 0 "[ . 1 . 2]" 1 662 1 28 LEU HB3 1 29 ARG H . . 3.560 3.458 2.947 3.575 0.015 18 0 "[ . 1 . 2]" 1 663 1 28 LEU HB3 1 33 SER H . . 5.500 4.033 3.934 4.262 . 0 0 "[ . 1 . 2]" 1 664 1 28 LEU HB3 1 33 SER HB2 . . 5.500 2.338 2.291 2.659 . 0 0 "[ . 1 . 2]" 1 665 1 28 LEU HB3 1 33 SER QB . . 4.690 2.113 2.075 2.138 . 0 0 "[ . 1 . 2]" 1 666 1 28 LEU HB3 1 33 SER HB3 . . 5.500 2.428 2.186 2.486 . 0 0 "[ . 1 . 2]" 1 667 1 28 LEU HB3 1 36 ALA H . . 4.420 4.508 4.439 4.600 0.180 16 0 "[ . 1 . 2]" 1 668 1 28 LEU HB3 1 36 ALA HA . . 4.960 3.621 3.583 3.694 . 0 0 "[ . 1 . 2]" 1 669 1 28 LEU HB3 1 36 ALA MB . . 4.340 3.228 3.121 3.346 . 0 0 "[ . 1 . 2]" 1 670 1 28 LEU MD1 1 36 ALA HA . . 3.640 3.081 2.954 3.194 . 0 0 "[ . 1 . 2]" 1 671 1 28 LEU MD2 1 33 SER H . . 5.500 3.831 3.604 4.074 . 0 0 "[ . 1 . 2]" 1 672 1 28 LEU MD2 1 33 SER HA . . 5.500 4.266 4.084 4.383 . 0 0 "[ . 1 . 2]" 1 673 1 28 LEU MD2 1 33 SER HB2 . . 3.930 2.274 1.981 2.948 . 0 0 "[ . 1 . 2]" 1 674 1 28 LEU MD2 1 33 SER HB3 . . 3.930 3.002 2.258 3.244 . 0 0 "[ . 1 . 2]" 1 675 1 28 LEU MD2 1 73 VAL HA . . 5.210 3.654 3.219 3.997 . 0 0 "[ . 1 . 2]" 1 676 1 28 LEU HG 1 33 SER HB2 . . 5.380 4.651 4.541 5.238 . 0 0 "[ . 1 . 2]" 1 677 1 28 LEU HG 1 33 SER QB . . 4.720 4.311 4.206 4.426 . 0 0 "[ . 1 . 2]" 1 678 1 28 LEU HG 1 33 SER HB3 . . 5.380 5.133 4.608 5.260 . 0 0 "[ . 1 . 2]" 1 679 1 29 ARG H 1 29 ARG HB3 . . 2.960 2.418 2.352 2.620 . 0 0 "[ . 1 . 2]" 1 680 1 29 ARG H 1 29 ARG HD2 . . 4.670 4.044 3.677 4.310 . 0 0 "[ . 1 . 2]" 1 681 1 29 ARG H 1 29 ARG HD3 . . 4.530 4.147 3.572 4.322 . 0 0 "[ . 1 . 2]" 1 682 1 29 ARG H 1 29 ARG HG2 . . 3.650 2.327 1.941 2.459 . 0 0 "[ . 1 . 2]" 1 683 1 29 ARG H 1 29 ARG HG3 . . 3.610 3.634 3.343 3.759 0.149 3 0 "[ . 1 . 2]" 1 684 1 29 ARG H 1 30 THR HA . . 5.500 5.314 5.249 5.477 . 0 0 "[ . 1 . 2]" 1 685 1 29 ARG H 1 33 SER QB . . 4.560 4.355 3.574 4.544 . 0 0 "[ . 1 . 2]" 1 686 1 29 ARG H 1 36 ALA HA . . 5.500 5.049 4.159 5.289 . 0 0 "[ . 1 . 2]" 1 687 1 29 ARG HA 1 29 ARG HB2 . . 2.860 2.400 2.364 2.521 . 0 0 "[ . 1 . 2]" 1 688 1 29 ARG HA 1 29 ARG HD2 . . 4.660 4.552 4.505 4.625 . 0 0 "[ . 1 . 2]" 1 689 1 29 ARG HA 1 29 ARG HG2 . . 3.780 3.726 3.633 3.764 . 0 0 "[ . 1 . 2]" 1 690 1 29 ARG HA 1 29 ARG HG3 . . 4.070 3.761 3.707 3.879 . 0 0 "[ . 1 . 2]" 1 691 1 29 ARG HB2 1 30 THR H . . 4.190 3.904 3.445 4.011 . 0 0 "[ . 1 . 2]" 1 692 1 29 ARG HB3 1 29 ARG HD2 . . 2.530 2.263 2.199 2.456 . 0 0 "[ . 1 . 2]" 1 693 1 29 ARG HB3 1 30 THR H . . 4.570 3.898 3.845 4.023 . 0 0 "[ . 1 . 2]" 1 694 1 29 ARG HG2 1 30 THR H . . 5.310 2.345 2.214 2.512 . 0 0 "[ . 1 . 2]" 1 695 1 29 ARG HG2 1 30 THR HA . . 4.780 4.387 4.122 4.805 0.025 20 0 "[ . 1 . 2]" 1 696 1 29 ARG HG2 1 30 THR HB . . 4.470 3.542 3.390 4.410 . 0 0 "[ . 1 . 2]" 1 697 1 29 ARG HG3 1 30 THR HA . . 5.500 3.374 3.252 3.626 . 0 0 "[ . 1 . 2]" 1 698 1 29 ARG HG3 1 30 THR HB . . 4.150 3.368 3.188 4.024 . 0 0 "[ . 1 . 2]" 1 699 1 29 ARG HG3 1 31 LEU H . . 5.500 4.923 4.801 5.090 . 0 0 "[ . 1 . 2]" 1 700 1 29 ARG HG3 1 32 GLY H . . 5.500 5.440 5.238 5.523 0.023 5 0 "[ . 1 . 2]" 1 701 1 30 THR H 1 30 THR HB . . 3.280 2.362 2.114 2.429 . 0 0 "[ . 1 . 2]" 1 702 1 30 THR H 1 31 LEU H . . 3.470 2.463 2.376 2.834 . 0 0 "[ . 1 . 2]" 1 703 1 30 THR H 1 32 GLY H . . 5.120 3.949 3.903 4.002 . 0 0 "[ . 1 . 2]" 1 704 1 30 THR HA 1 31 LEU HB2 . . 5.500 5.547 5.532 5.599 0.099 20 0 "[ . 1 . 2]" 1 705 1 30 THR HA 1 31 LEU MD2 . . 5.500 4.758 4.662 4.806 . 0 0 "[ . 1 . 2]" 1 706 1 30 THR HA 1 32 GLY H . . 4.220 3.545 3.503 3.854 . 0 0 "[ . 1 . 2]" 1 707 1 30 THR HB 1 31 LEU H . . 3.790 3.739 2.590 3.869 0.079 15 0 "[ . 1 . 2]" 1 708 1 30 THR HB 1 31 LEU MD2 . . 5.500 4.106 3.058 4.281 . 0 0 "[ . 1 . 2]" 1 709 1 30 THR MG 1 31 LEU H . . 5.150 2.222 2.123 2.948 . 0 0 "[ . 1 . 2]" 1 710 1 30 THR MG 1 31 LEU HA . . 3.430 3.074 2.832 3.141 . 0 0 "[ . 1 . 2]" 1 711 1 30 THR MG 1 31 LEU MD2 . . 3.650 1.901 1.761 2.517 . 0 0 "[ . 1 . 2]" 1 712 1 30 THR MG 1 31 LEU HG . . 5.500 4.256 4.074 5.093 . 0 0 "[ . 1 . 2]" 1 713 1 30 THR MG 1 32 GLY H . . 5.500 4.104 4.028 4.229 . 0 0 "[ . 1 . 2]" 1 714 1 31 LEU H 1 31 LEU HB2 . . 2.960 2.121 2.110 2.143 . 0 0 "[ . 1 . 2]" 1 715 1 31 LEU H 1 31 LEU HB3 . . 3.530 3.421 3.396 3.456 . 0 0 "[ . 1 . 2]" 1 716 1 31 LEU H 1 31 LEU MD1 . . 5.260 4.037 3.969 4.091 . 0 0 "[ . 1 . 2]" 1 717 1 31 LEU H 1 31 LEU MD2 . . 4.250 2.515 2.305 2.694 . 0 0 "[ . 1 . 2]" 1 718 1 31 LEU H 1 31 LEU HG . . 4.430 4.197 4.052 4.325 . 0 0 "[ . 1 . 2]" 1 719 1 31 LEU H 1 33 SER QB . . 4.880 4.186 3.981 4.320 . 0 0 "[ . 1 . 2]" 1 720 1 31 LEU HA 1 31 LEU HB3 . . 2.900 2.714 2.700 2.732 . 0 0 "[ . 1 . 2]" 1 721 1 31 LEU HA 1 31 LEU MD1 . . 2.890 2.109 1.992 2.187 . 0 0 "[ . 1 . 2]" 1 722 1 31 LEU HA 1 31 LEU MD2 . . 4.390 2.473 2.418 2.509 . 0 0 "[ . 1 . 2]" 1 723 1 31 LEU HA 1 31 LEU HG . . 3.850 3.652 3.641 3.662 . 0 0 "[ . 1 . 2]" 1 724 1 31 LEU HB2 1 31 LEU MD2 . . 3.420 2.252 2.219 2.290 . 0 0 "[ . 1 . 2]" 1 725 1 31 LEU HB2 1 32 GLY H . . 3.620 3.575 3.446 3.716 0.096 16 0 "[ . 1 . 2]" 1 726 1 31 LEU HB2 1 32 GLY QA . . 5.340 4.890 4.786 4.953 . 0 0 "[ . 1 . 2]" 1 727 1 31 LEU HB2 1 33 SER H . . 3.750 3.394 3.324 3.470 . 0 0 "[ . 1 . 2]" 1 728 1 31 LEU HB2 1 33 SER HB2 . . 5.500 3.558 3.386 5.392 . 0 0 "[ . 1 . 2]" 1 729 1 31 LEU HB2 1 33 SER HB3 . . 5.500 5.089 3.644 5.426 . 0 0 "[ . 1 . 2]" 1 730 1 31 LEU HB2 1 76 VAL MG2 . . 5.500 5.014 4.731 5.120 . 0 0 "[ . 1 . 2]" 1 731 1 31 LEU HB3 1 31 LEU MD1 . . 3.600 2.299 2.263 2.351 . 0 0 "[ . 1 . 2]" 1 732 1 31 LEU HB3 1 31 LEU HG . . 2.560 2.422 2.405 2.441 . 0 0 "[ . 1 . 2]" 1 733 1 31 LEU HB3 1 32 GLY H . . 5.460 3.870 3.722 3.984 . 0 0 "[ . 1 . 2]" 1 734 1 31 LEU HB3 1 32 GLY QA . . 5.340 4.362 4.211 4.426 . 0 0 "[ . 1 . 2]" 1 735 1 31 LEU HB3 1 33 SER H . . 5.500 3.458 3.312 3.597 . 0 0 "[ . 1 . 2]" 1 736 1 31 LEU HB3 1 76 VAL MG2 . . 4.560 3.714 3.267 4.135 . 0 0 "[ . 1 . 2]" 1 737 1 31 LEU MD1 1 31 LEU MD2 . . 2.700 1.996 1.966 2.047 . 0 0 "[ . 1 . 2]" 1 738 1 31 LEU MD2 1 32 GLY H . . 5.500 4.424 4.369 4.468 . 0 0 "[ . 1 . 2]" 1 739 1 31 LEU MD2 1 33 SER H . . 5.500 5.021 4.989 5.060 . 0 0 "[ . 1 . 2]" 1 740 1 32 GLY H 1 33 SER H . . 3.070 2.353 2.236 2.423 . 0 0 "[ . 1 . 2]" 1 741 1 32 GLY H 1 33 SER HA . . 5.230 5.004 4.869 5.052 . 0 0 "[ . 1 . 2]" 1 742 1 32 GLY H 1 33 SER QB . . 5.160 4.050 3.846 4.378 . 0 0 "[ . 1 . 2]" 1 743 1 32 GLY QA 1 33 SER QB . . 5.090 4.461 4.430 4.626 . 0 0 "[ . 1 . 2]" 1 744 1 33 SER H 1 33 SER HB2 . . 3.420 2.162 2.074 3.565 0.145 16 0 "[ . 1 . 2]" 1 745 1 33 SER H 1 33 SER QB . . 2.930 2.077 2.051 2.303 . 0 0 "[ . 1 . 2]" 1 746 1 33 SER H 1 33 SER HB3 . . 3.420 3.227 2.332 3.356 . 0 0 "[ . 1 . 2]" 1 747 1 33 SER H 1 34 THR H . . 4.650 4.567 4.518 4.609 . 0 0 "[ . 1 . 2]" 1 748 1 33 SER HA 1 34 THR H . . 3.420 2.167 2.150 2.201 . 0 0 "[ . 1 . 2]" 1 749 1 33 SER HA 1 34 THR MG . . 4.660 3.880 3.777 3.964 . 0 0 "[ . 1 . 2]" 1 750 1 33 SER HA 1 35 SER H . . 4.150 3.744 3.616 3.854 . 0 0 "[ . 1 . 2]" 1 751 1 33 SER QB 1 34 THR H . . 3.360 3.365 2.981 3.404 0.044 7 0 "[ . 1 . 2]" 1 752 1 33 SER QB 1 34 THR MG . . 5.200 4.689 4.412 4.762 . 0 0 "[ . 1 . 2]" 1 753 1 33 SER QB 1 35 SER H . . 3.310 2.593 2.486 2.742 . 0 0 "[ . 1 . 2]" 1 754 1 33 SER QB 1 35 SER HA . . 5.340 5.224 5.124 5.365 0.025 16 0 "[ . 1 . 2]" 1 755 1 33 SER QB 1 36 ALA H . . 4.360 3.363 3.211 3.858 . 0 0 "[ . 1 . 2]" 1 756 1 34 THR H 1 34 THR MG . . 3.490 2.050 1.933 2.169 . 0 0 "[ . 1 . 2]" 1 757 1 34 THR H 1 35 SER H . . 3.360 2.641 2.304 2.798 . 0 0 "[ . 1 . 2]" 1 758 1 34 THR H 1 35 SER QB . . 4.410 4.155 3.914 4.376 . 0 0 "[ . 1 . 2]" 1 759 1 34 THR HA 1 34 THR MG . . 3.640 3.194 3.189 3.203 . 0 0 "[ . 1 . 2]" 1 760 1 34 THR HA 1 36 ALA H . . 4.740 3.598 3.494 3.756 . 0 0 "[ . 1 . 2]" 1 761 1 34 THR HA 1 37 ASP H . . 5.500 5.551 5.472 5.606 0.106 16 0 "[ . 1 . 2]" 1 762 1 34 THR HB 1 35 SER H . . 4.720 4.538 4.440 4.577 . 0 0 "[ . 1 . 2]" 1 763 1 34 THR MG 1 35 SER H . . 4.090 3.347 3.021 3.495 . 0 0 "[ . 1 . 2]" 1 764 1 34 THR MG 1 35 SER HA . . 5.150 3.974 3.849 4.070 . 0 0 "[ . 1 . 2]" 1 765 1 34 THR MG 1 35 SER QB . . 4.500 3.736 3.240 4.028 . 0 0 "[ . 1 . 2]" 1 766 1 35 SER H 1 35 SER HB2 . . 3.880 2.899 2.576 3.832 . 0 0 "[ . 1 . 2]" 1 767 1 35 SER H 1 35 SER QB . . 3.090 2.714 2.530 3.127 0.037 5 0 "[ . 1 . 2]" 1 768 1 35 SER H 1 35 SER HB3 . . 3.880 3.684 3.252 3.860 . 0 0 "[ . 1 . 2]" 1 769 1 35 SER H 1 36 ALA H . . 2.620 2.162 2.065 2.574 . 0 0 "[ . 1 . 2]" 1 770 1 35 SER H 1 39 VAL MG1 . . 5.370 4.873 4.754 4.927 . 0 0 "[ . 1 . 2]" 1 771 1 35 SER HA 1 37 ASP H . . 4.160 3.213 3.178 3.292 . 0 0 "[ . 1 . 2]" 1 772 1 35 SER HA 1 38 GLU H . . 3.340 3.074 3.062 3.095 . 0 0 "[ . 1 . 2]" 1 773 1 35 SER HA 1 39 VAL MG1 . . 5.500 4.962 4.776 5.008 . 0 0 "[ . 1 . 2]" 1 774 1 35 SER QB 1 36 ALA H . . 4.080 3.745 3.649 3.988 . 0 0 "[ . 1 . 2]" 1 775 1 35 SER QB 1 37 ASP H . . 4.630 4.400 4.342 4.533 . 0 0 "[ . 1 . 2]" 1 776 1 35 SER QB 1 38 GLU H . . 3.720 3.391 3.321 3.735 0.015 14 0 "[ . 1 . 2]" 1 777 1 35 SER QB 1 38 GLU HB3 . . 2.950 2.225 2.124 2.622 . 0 0 "[ . 1 . 2]" 1 778 1 35 SER QB 1 38 GLU HG2 . . 4.870 3.847 3.661 4.157 . 0 0 "[ . 1 . 2]" 1 779 1 35 SER QB 1 39 VAL H . . 4.070 3.417 3.359 3.568 . 0 0 "[ . 1 . 2]" 1 780 1 35 SER QB 1 39 VAL HA . . 5.170 4.769 4.566 5.023 . 0 0 "[ . 1 . 2]" 1 781 1 35 SER QB 1 39 VAL MG1 . . 4.660 4.052 3.836 4.336 . 0 0 "[ . 1 . 2]" 1 782 1 35 SER QB 1 69 LEU HB3 . . 5.340 4.089 3.280 4.481 . 0 0 "[ . 1 . 2]" 1 783 1 35 SER QB 1 69 LEU MD1 . . 3.740 2.000 1.875 2.145 . 0 0 "[ . 1 . 2]" 1 784 1 35 SER HB2 1 36 ALA H . . 4.660 4.049 3.911 4.406 . 0 0 "[ . 1 . 2]" 1 785 1 35 SER HB2 1 37 ASP H . . 5.500 5.150 4.644 5.363 . 0 0 "[ . 1 . 2]" 1 786 1 35 SER HB3 1 36 ALA H . . 4.660 4.422 4.260 4.558 . 0 0 "[ . 1 . 2]" 1 787 1 35 SER HB3 1 37 ASP H . . 5.500 4.848 4.650 5.416 . 0 0 "[ . 1 . 2]" 1 788 1 36 ALA H 1 36 ALA MB . . 3.260 2.033 2.025 2.051 . 0 0 "[ . 1 . 2]" 1 789 1 36 ALA H 1 37 ASP H . . 3.810 2.726 2.582 2.754 . 0 0 "[ . 1 . 2]" 1 790 1 36 ALA HA 1 38 GLU H . . 5.500 4.302 4.260 4.544 . 0 0 "[ . 1 . 2]" 1 791 1 36 ALA HA 1 39 VAL H . . 4.270 3.525 3.495 3.650 . 0 0 "[ . 1 . 2]" 1 792 1 36 ALA HA 1 39 VAL HB . . 3.270 3.611 3.596 3.646 0.376 2 0 "[ . 1 . 2]" 1 793 1 36 ALA HA 1 39 VAL MG1 . . 4.060 1.844 1.817 1.863 . 0 0 "[ . 1 . 2]" 1 794 1 36 ALA HA 1 39 VAL MG2 . . 5.500 4.246 4.205 4.272 . 0 0 "[ . 1 . 2]" 1 795 1 36 ALA HA 1 40 GLN H . . 4.760 4.207 4.069 4.286 . 0 0 "[ . 1 . 2]" 1 796 1 36 ALA MB 1 37 ASP H . . 3.630 2.935 2.905 2.974 . 0 0 "[ . 1 . 2]" 1 797 1 36 ALA MB 1 37 ASP HA . . 4.100 3.823 3.802 3.852 . 0 0 "[ . 1 . 2]" 1 798 1 36 ALA MB 1 37 ASP HB2 . . 5.500 4.749 4.196 5.028 . 0 0 "[ . 1 . 2]" 1 799 1 36 ALA MB 1 37 ASP HB3 . . 5.500 4.950 4.551 5.129 . 0 0 "[ . 1 . 2]" 1 800 1 36 ALA MB 1 38 GLU H . . 5.500 4.593 4.568 4.725 . 0 0 "[ . 1 . 2]" 1 801 1 37 ASP H 1 37 ASP QB . . 2.860 2.526 2.209 2.691 . 0 0 "[ . 1 . 2]" 1 802 1 37 ASP H 1 38 GLU H . . 2.550 2.363 2.337 2.398 . 0 0 "[ . 1 . 2]" 1 803 1 37 ASP H 1 38 GLU HA . . 5.480 5.038 5.021 5.064 . 0 0 "[ . 1 . 2]" 1 804 1 37 ASP H 1 38 GLU HB2 . . 5.150 4.695 4.602 4.911 . 0 0 "[ . 1 . 2]" 1 805 1 37 ASP H 1 38 GLU HB3 . . 5.460 4.698 4.476 4.804 . 0 0 "[ . 1 . 2]" 1 806 1 37 ASP H 1 39 VAL MG1 . . 5.500 3.824 3.798 3.908 . 0 0 "[ . 1 . 2]" 1 807 1 37 ASP H 1 40 GLN HE21 . . 5.500 5.610 5.585 5.624 0.124 16 0 "[ . 1 . 2]" 1 808 1 37 ASP HA 1 40 GLN H . . 3.700 3.674 3.659 3.690 . 0 0 "[ . 1 . 2]" 1 809 1 37 ASP HA 1 40 GLN HA . . 5.500 5.660 5.646 5.677 0.177 11 0 "[ . 1 . 2]" 1 810 1 37 ASP HA 1 40 GLN HB3 . . 2.990 3.008 2.992 3.021 0.031 16 0 "[ . 1 . 2]" 1 811 1 37 ASP HA 1 40 GLN HE22 . . 4.840 3.783 3.756 3.819 . 0 0 "[ . 1 . 2]" 1 812 1 37 ASP QB 1 38 GLU H . . 3.030 2.820 2.627 2.865 . 0 0 "[ . 1 . 2]" 1 813 1 37 ASP QB 1 38 GLU HA . . 4.520 4.078 3.901 4.434 . 0 0 "[ . 1 . 2]" 1 814 1 37 ASP QB 1 39 VAL H . . 5.030 4.752 4.665 4.818 . 0 0 "[ . 1 . 2]" 1 815 1 38 GLU H 1 38 GLU HB2 . . 3.070 2.589 2.463 2.812 . 0 0 "[ . 1 . 2]" 1 816 1 38 GLU H 1 38 GLU HB3 . . 3.240 2.558 2.372 2.647 . 0 0 "[ . 1 . 2]" 1 817 1 38 GLU H 1 38 GLU HG2 . . 4.880 4.580 4.320 4.644 . 0 0 "[ . 1 . 2]" 1 818 1 38 GLU H 1 38 GLU HG3 . . 5.220 4.444 4.410 4.541 . 0 0 "[ . 1 . 2]" 1 819 1 38 GLU H 1 39 VAL H . . 3.110 2.369 2.332 2.445 . 0 0 "[ . 1 . 2]" 1 820 1 38 GLU H 1 39 VAL MG1 . . 5.310 3.657 3.621 3.811 . 0 0 "[ . 1 . 2]" 1 821 1 38 GLU H 1 41 ARG QD . . 5.250 5.008 4.847 5.175 . 0 0 "[ . 1 . 2]" 1 822 1 38 GLU HA 1 38 GLU HG3 . . 3.000 2.576 2.276 2.959 . 0 0 "[ . 1 . 2]" 1 823 1 38 GLU HA 1 40 GLN H . . 5.290 4.208 4.118 4.309 . 0 0 "[ . 1 . 2]" 1 824 1 38 GLU HA 1 41 ARG H . . 4.160 3.660 3.536 3.758 . 0 0 "[ . 1 . 2]" 1 825 1 38 GLU HA 1 41 ARG HD2 . . 4.230 3.433 2.431 3.667 . 0 0 "[ . 1 . 2]" 1 826 1 38 GLU HA 1 41 ARG QD . . 3.500 2.376 2.286 2.441 . 0 0 "[ . 1 . 2]" 1 827 1 38 GLU HA 1 41 ARG HD3 . . 4.230 2.655 2.314 4.106 . 0 0 "[ . 1 . 2]" 1 828 1 38 GLU HA 1 41 ARG HG2 . . 4.290 2.375 2.209 2.470 . 0 0 "[ . 1 . 2]" 1 829 1 38 GLU HA 1 41 ARG HG3 . . 4.030 3.483 3.268 3.614 . 0 0 "[ . 1 . 2]" 1 830 1 38 GLU HA 1 42 MET H . . 5.500 4.672 4.457 4.821 . 0 0 "[ . 1 . 2]" 1 831 1 38 GLU HA 1 42 MET HG2 . . 5.060 4.376 4.132 4.469 . 0 0 "[ . 1 . 2]" 1 832 1 38 GLU HB3 1 38 GLU HG2 . . 2.400 2.289 2.245 2.383 . 0 0 "[ . 1 . 2]" 1 833 1 38 GLU HB3 1 39 VAL H . . 3.290 2.840 2.712 2.948 . 0 0 "[ . 1 . 2]" 1 834 1 38 GLU HB3 1 39 VAL HA . . 5.500 4.235 4.136 4.467 . 0 0 "[ . 1 . 2]" 1 835 1 38 GLU HB3 1 69 LEU MD1 . . 4.370 2.352 1.991 2.777 . 0 0 "[ . 1 . 2]" 1 836 1 38 GLU HG2 1 39 VAL H . . 4.870 4.532 3.853 4.861 . 0 0 "[ . 1 . 2]" 1 837 1 38 GLU HG2 1 39 VAL HA . . 5.500 4.677 3.656 5.203 . 0 0 "[ . 1 . 2]" 1 838 1 38 GLU HG3 1 39 VAL H . . 5.170 4.417 3.895 4.768 . 0 0 "[ . 1 . 2]" 1 839 1 38 GLU HG3 1 39 VAL HA . . 5.500 4.530 3.784 5.165 . 0 0 "[ . 1 . 2]" 1 840 1 38 GLU HG3 1 41 ARG H . . 5.500 5.092 4.890 5.366 . 0 0 "[ . 1 . 2]" 1 841 1 38 GLU HG3 1 42 MET H . . 5.500 4.890 4.417 5.386 . 0 0 "[ . 1 . 2]" 1 842 1 39 VAL H 1 39 VAL HB . . 2.880 2.542 2.490 2.572 . 0 0 "[ . 1 . 2]" 1 843 1 39 VAL H 1 39 VAL MG1 . . 3.310 2.091 2.058 2.170 . 0 0 "[ . 1 . 2]" 1 844 1 39 VAL H 1 41 ARG QD . . 5.340 5.431 5.402 5.469 0.129 3 0 "[ . 1 . 2]" 1 845 1 39 VAL H 1 41 ARG HG3 . . 5.500 5.516 5.469 5.534 0.034 9 0 "[ . 1 . 2]" 1 846 1 39 VAL H 1 42 MET HG2 . . 5.500 5.186 5.110 5.452 . 0 0 "[ . 1 . 2]" 1 847 1 39 VAL H 1 42 MET HG3 . . 5.250 4.667 4.494 4.810 . 0 0 "[ . 1 . 2]" 1 848 1 39 VAL H 1 69 LEU MD1 . . 5.500 3.341 2.892 4.161 . 0 0 "[ . 1 . 2]" 1 849 1 39 VAL HA 1 41 ARG H . . 5.450 4.219 4.151 4.339 . 0 0 "[ . 1 . 2]" 1 850 1 39 VAL HA 1 41 ARG HG2 . . 5.500 4.656 4.523 4.814 . 0 0 "[ . 1 . 2]" 1 851 1 39 VAL HA 1 42 MET H . . 3.790 3.120 3.068 3.215 . 0 0 "[ . 1 . 2]" 1 852 1 39 VAL HA 1 42 MET HA . . 5.430 4.927 4.873 5.010 . 0 0 "[ . 1 . 2]" 1 853 1 39 VAL HA 1 42 MET HB2 . . 3.180 2.157 2.104 2.235 . 0 0 "[ . 1 . 2]" 1 854 1 39 VAL HA 1 42 MET HG2 . . 4.350 3.533 3.346 3.900 . 0 0 "[ . 1 . 2]" 1 855 1 39 VAL HA 1 42 MET HG3 . . 5.130 2.694 2.611 2.855 . 0 0 "[ . 1 . 2]" 1 856 1 39 VAL HA 1 43 MET H . . 4.190 3.673 3.567 3.756 . 0 0 "[ . 1 . 2]" 1 857 1 39 VAL HA 1 43 MET HG2 . . 5.500 5.083 4.738 5.439 . 0 0 "[ . 1 . 2]" 1 858 1 39 VAL HA 1 62 PHE HE2 . . 5.050 4.028 3.696 4.257 . 0 0 "[ . 1 . 2]" 1 859 1 39 VAL HA 1 69 LEU HB3 . . 5.500 3.973 3.795 4.289 . 0 0 "[ . 1 . 2]" 1 860 1 39 VAL HA 1 69 LEU MD2 . . 4.030 3.612 3.235 3.791 . 0 0 "[ . 1 . 2]" 1 861 1 39 VAL HA 1 69 LEU HG . . 5.500 2.376 2.258 2.743 . 0 0 "[ . 1 . 2]" 1 862 1 39 VAL HB 1 40 GLN H . . 4.240 3.943 3.901 3.969 . 0 0 "[ . 1 . 2]" 1 863 1 39 VAL MG1 1 40 GLN H . . 4.800 2.158 1.907 2.230 . 0 0 "[ . 1 . 2]" 1 864 1 39 VAL MG2 1 40 GLN H . . 4.070 3.777 3.757 3.827 . 0 0 "[ . 1 . 2]" 1 865 1 39 VAL MG2 1 40 GLN HA . . 4.050 3.810 3.786 3.871 . 0 0 "[ . 1 . 2]" 1 866 1 39 VAL MG2 1 40 GLN HB2 . . 5.500 5.167 5.101 5.215 . 0 0 "[ . 1 . 2]" 1 867 1 39 VAL MG2 1 42 MET HB3 . . 5.500 4.117 3.990 4.356 . 0 0 "[ . 1 . 2]" 1 868 1 39 VAL MG2 1 43 MET H . . 4.550 3.352 3.300 3.455 . 0 0 "[ . 1 . 2]" 1 869 1 39 VAL MG2 1 43 MET HA . . 5.500 4.440 4.317 4.545 . 0 0 "[ . 1 . 2]" 1 870 1 39 VAL MG2 1 43 MET HB3 . . 3.500 3.051 2.875 3.160 . 0 0 "[ . 1 . 2]" 1 871 1 39 VAL MG2 1 43 MET HG2 . . 3.450 3.252 3.150 3.370 . 0 0 "[ . 1 . 2]" 1 872 1 39 VAL MG2 1 43 MET HG3 . . 4.730 4.101 3.733 4.521 . 0 0 "[ . 1 . 2]" 1 873 1 39 VAL MG2 1 62 PHE HE2 . . 5.500 2.750 2.679 2.880 . 0 0 "[ . 1 . 2]" 1 874 1 40 GLN H 1 40 GLN HB2 . . 3.130 2.896 2.875 2.916 . 0 0 "[ . 1 . 2]" 1 875 1 40 GLN H 1 40 GLN HB3 . . 3.240 2.206 2.193 2.225 . 0 0 "[ . 1 . 2]" 1 876 1 40 GLN H 1 40 GLN HE21 . . 4.400 3.956 3.934 3.986 . 0 0 "[ . 1 . 2]" 1 877 1 40 GLN H 1 40 GLN HG2 . . 4.760 4.135 4.114 4.162 . 0 0 "[ . 1 . 2]" 1 878 1 40 GLN H 1 40 GLN HG3 . . 5.180 4.546 4.539 4.549 . 0 0 "[ . 1 . 2]" 1 879 1 40 GLN H 1 41 ARG H . . 3.260 2.716 2.656 2.767 . 0 0 "[ . 1 . 2]" 1 880 1 40 GLN H 1 43 MET H . . 5.500 4.799 4.709 4.839 . 0 0 "[ . 1 . 2]" 1 881 1 40 GLN HA 1 40 GLN HB2 . . 2.820 2.295 2.286 2.311 . 0 0 "[ . 1 . 2]" 1 882 1 40 GLN HA 1 40 GLN HG3 . . 3.300 2.889 2.838 2.915 . 0 0 "[ . 1 . 2]" 1 883 1 40 GLN HA 1 43 MET H . . 3.870 3.847 3.814 3.883 0.013 6 0 "[ . 1 . 2]" 1 884 1 40 GLN HA 1 43 MET HB2 . . 5.500 4.979 4.898 5.052 . 0 0 "[ . 1 . 2]" 1 885 1 40 GLN HA 1 43 MET HB3 . . 4.550 4.347 4.214 4.430 . 0 0 "[ . 1 . 2]" 1 886 1 40 GLN HA 1 43 MET HG2 . . 5.500 2.318 2.100 2.510 . 0 0 "[ . 1 . 2]" 1 887 1 40 GLN HA 1 44 ALA H . . 4.940 4.859 4.704 4.934 . 0 0 "[ . 1 . 2]" 1 888 1 40 GLN HA 1 44 ALA MB . . 5.500 5.127 4.891 5.271 . 0 0 "[ . 1 . 2]" 1 889 1 40 GLN HB3 1 41 ARG H . . 3.290 2.834 2.767 2.878 . 0 0 "[ . 1 . 2]" 1 890 1 40 GLN HB3 1 41 ARG HA . . 4.740 4.782 4.720 4.816 0.076 15 0 "[ . 1 . 2]" 1 891 1 40 GLN HB3 1 41 ARG HG2 . . 4.810 4.186 4.129 4.220 . 0 0 "[ . 1 . 2]" 1 892 1 40 GLN HE21 1 41 ARG HA . . 5.500 5.513 5.485 5.531 0.031 19 0 "[ . 1 . 2]" 1 893 1 40 GLN HE22 1 41 ARG H . . 5.500 5.692 5.644 5.724 0.224 14 0 "[ . 1 . 2]" 1 894 1 40 GLN HG2 1 41 ARG H . . 3.470 3.044 2.938 3.119 . 0 0 "[ . 1 . 2]" 1 895 1 40 GLN HG2 1 41 ARG HA . . 4.300 3.174 3.128 3.213 . 0 0 "[ . 1 . 2]" 1 896 1 40 GLN HG2 1 42 MET H . . 5.500 4.924 4.865 4.973 . 0 0 "[ . 1 . 2]" 1 897 1 41 ARG H 1 41 ARG HB3 . . 3.010 2.773 2.737 2.806 . 0 0 "[ . 1 . 2]" 1 898 1 41 ARG H 1 41 ARG QD . . 4.190 3.722 3.668 3.932 . 0 0 "[ . 1 . 2]" 1 899 1 41 ARG H 1 41 ARG HG2 . . 4.290 1.893 1.875 1.916 . 0 0 "[ . 1 . 2]" 1 900 1 41 ARG H 1 41 ARG HG3 . . 4.790 3.021 2.993 3.048 . 0 0 "[ . 1 . 2]" 1 901 1 41 ARG H 1 42 MET H . . 3.580 2.372 2.335 2.436 . 0 0 "[ . 1 . 2]" 1 902 1 41 ARG H 1 42 MET HG3 . . 5.500 5.128 4.856 5.280 . 0 0 "[ . 1 . 2]" 1 903 1 41 ARG H 1 43 MET H . . 5.500 4.305 4.191 4.410 . 0 0 "[ . 1 . 2]" 1 904 1 41 ARG HA 1 43 MET H . . 5.500 4.698 4.634 4.786 . 0 0 "[ . 1 . 2]" 1 905 1 41 ARG HB2 1 41 ARG QD . . 3.330 2.740 2.599 2.808 . 0 0 "[ . 1 . 2]" 1 906 1 41 ARG HB2 1 41 ARG HG3 . . 2.550 2.431 2.422 2.439 . 0 0 "[ . 1 . 2]" 1 907 1 41 ARG HB2 1 42 MET H . . 4.010 3.998 3.987 4.017 0.007 13 0 "[ . 1 . 2]" 1 908 1 41 ARG HB2 1 42 MET HA . . 5.260 4.542 4.529 4.558 . 0 0 "[ . 1 . 2]" 1 909 1 41 ARG HB2 1 42 MET HG2 . . 5.500 4.562 4.462 4.613 . 0 0 "[ . 1 . 2]" 1 910 1 41 ARG HB3 1 41 ARG QD . . 3.470 2.421 2.301 3.011 . 0 0 "[ . 1 . 2]" 1 911 1 41 ARG HB3 1 41 ARG HG2 . . 2.760 2.454 2.446 2.464 . 0 0 "[ . 1 . 2]" 1 912 1 41 ARG HB3 1 42 MET HG2 . . 5.500 5.267 5.236 5.306 . 0 0 "[ . 1 . 2]" 1 913 1 41 ARG HG2 1 42 MET H . . 4.220 3.038 3.021 3.064 . 0 0 "[ . 1 . 2]" 1 914 1 41 ARG HG2 1 42 MET HA . . 5.260 4.984 4.968 5.018 . 0 0 "[ . 1 . 2]" 1 915 1 41 ARG HG2 1 42 MET HG3 . . 5.110 4.684 4.406 4.777 . 0 0 "[ . 1 . 2]" 1 916 1 41 ARG HG3 1 42 MET H . . 4.150 2.805 2.781 2.838 . 0 0 "[ . 1 . 2]" 1 917 1 41 ARG HG3 1 42 MET HG2 . . 5.500 2.414 2.384 2.456 . 0 0 "[ . 1 . 2]" 1 918 1 42 MET H 1 42 MET HB2 . . 3.300 2.378 2.362 2.392 . 0 0 "[ . 1 . 2]" 1 919 1 42 MET H 1 42 MET HB3 . . 3.900 3.592 3.586 3.601 . 0 0 "[ . 1 . 2]" 1 920 1 42 MET H 1 42 MET HG2 . . 4.190 2.621 2.557 2.753 . 0 0 "[ . 1 . 2]" 1 921 1 42 MET H 1 42 MET HG3 . . 3.690 3.494 3.328 3.557 . 0 0 "[ . 1 . 2]" 1 922 1 42 MET H 1 43 MET H . . 3.060 2.515 2.441 2.559 . 0 0 "[ . 1 . 2]" 1 923 1 42 MET H 1 43 MET HG3 . . 5.030 3.620 3.453 3.952 . 0 0 "[ . 1 . 2]" 1 924 1 42 MET H 1 44 ALA H . . 3.910 3.764 3.715 3.802 . 0 0 "[ . 1 . 2]" 1 925 1 42 MET H 1 62 PHE HE2 . . 4.750 4.467 4.290 4.565 . 0 0 "[ . 1 . 2]" 1 926 1 42 MET H 1 69 LEU MD2 . . 5.500 5.003 4.756 5.089 . 0 0 "[ . 1 . 2]" 1 927 1 42 MET HA 1 42 MET HG2 . . 3.250 2.643 2.507 2.712 . 0 0 "[ . 1 . 2]" 1 928 1 42 MET HA 1 42 MET HG3 . . 3.890 3.737 3.704 3.752 . 0 0 "[ . 1 . 2]" 1 929 1 42 MET HA 1 44 ALA H . . 3.880 3.836 3.776 3.873 . 0 0 "[ . 1 . 2]" 1 930 1 42 MET HA 1 45 GLU H . . 4.150 3.588 3.494 3.762 . 0 0 "[ . 1 . 2]" 1 931 1 42 MET HA 1 45 GLU QG . . 4.490 2.567 2.166 2.928 . 0 0 "[ . 1 . 2]" 1 932 1 42 MET HB2 1 43 MET H . . 4.520 2.483 2.418 2.551 . 0 0 "[ . 1 . 2]" 1 933 1 42 MET HB2 1 43 MET HA . . 4.400 4.331 4.312 4.352 . 0 0 "[ . 1 . 2]" 1 934 1 42 MET HB2 1 62 PHE HE2 . . 3.340 2.957 2.780 3.026 . 0 0 "[ . 1 . 2]" 1 935 1 42 MET HB2 1 69 LEU MD2 . . 5.330 3.512 3.059 3.709 . 0 0 "[ . 1 . 2]" 1 936 1 42 MET HB3 1 43 MET H . . 4.980 3.419 3.364 3.508 . 0 0 "[ . 1 . 2]" 1 937 1 42 MET HB3 1 62 PHE HD2 . . 4.800 4.731 4.556 4.813 0.013 20 0 "[ . 1 . 2]" 1 938 1 42 MET HB3 1 62 PHE HE2 . . 4.900 3.332 3.172 3.398 . 0 0 "[ . 1 . 2]" 1 939 1 42 MET HB3 1 69 LEU MD2 . . 3.990 3.340 3.058 3.488 . 0 0 "[ . 1 . 2]" 1 940 1 42 MET HG2 1 43 MET H . . 4.440 4.439 4.388 4.510 0.070 14 0 "[ . 1 . 2]" 1 941 1 42 MET HG2 1 44 ALA H . . 5.500 5.718 5.682 5.758 0.258 15 0 "[ . 1 . 2]" 1 942 1 42 MET HG2 1 62 PHE HE2 . . 5.500 5.531 5.403 5.586 0.086 19 0 "[ . 1 . 2]" 1 943 1 42 MET HG2 1 69 LEU MD2 . . 4.760 3.327 3.262 3.437 . 0 0 "[ . 1 . 2]" 1 944 1 42 MET HG3 1 43 MET H . . 5.060 4.670 4.625 4.715 . 0 0 "[ . 1 . 2]" 1 945 1 42 MET HG3 1 62 PHE HE1 . . 5.500 4.214 4.003 4.699 . 0 0 "[ . 1 . 2]" 1 946 1 42 MET HG3 1 62 PHE HE2 . . 5.500 5.030 4.877 5.086 . 0 0 "[ . 1 . 2]" 1 947 1 42 MET HG3 1 69 LEU MD1 . . 5.500 3.344 3.171 3.760 . 0 0 "[ . 1 . 2]" 1 948 1 42 MET HG3 1 69 LEU MD2 . . 3.160 1.882 1.856 1.935 . 0 0 "[ . 1 . 2]" 1 949 1 42 MET HG3 1 69 LEU HG . . 5.460 2.425 2.095 3.163 . 0 0 "[ . 1 . 2]" 1 950 1 43 MET H 1 43 MET HB3 . . 3.470 2.649 2.633 2.669 . 0 0 "[ . 1 . 2]" 1 951 1 43 MET H 1 43 MET HG2 . . 3.840 2.903 2.457 3.203 . 0 0 "[ . 1 . 2]" 1 952 1 43 MET H 1 43 MET HG3 . . 4.360 2.081 1.918 2.405 . 0 0 "[ . 1 . 2]" 1 953 1 43 MET H 1 44 ALA H . . 3.130 2.713 2.705 2.729 . 0 0 "[ . 1 . 2]" 1 954 1 43 MET H 1 44 ALA HA . . 5.500 5.278 5.260 5.288 . 0 0 "[ . 1 . 2]" 1 955 1 43 MET H 1 44 ALA MB . . 5.440 4.333 4.320 4.383 . 0 0 "[ . 1 . 2]" 1 956 1 43 MET H 1 45 GLU H . . 4.450 4.235 4.206 4.308 . 0 0 "[ . 1 . 2]" 1 957 1 43 MET HA 1 43 MET HG2 . . 4.230 4.096 3.938 4.190 . 0 0 "[ . 1 . 2]" 1 958 1 43 MET HA 1 43 MET HG3 . . 3.670 3.564 3.546 3.588 . 0 0 "[ . 1 . 2]" 1 959 1 43 MET HA 1 44 ALA H . . 3.530 3.454 3.440 3.462 . 0 0 "[ . 1 . 2]" 1 960 1 43 MET HA 1 45 GLU H . . 4.900 3.704 3.591 3.769 . 0 0 "[ . 1 . 2]" 1 961 1 43 MET HA 1 46 ILE H . . 4.280 3.433 3.308 3.488 . 0 0 "[ . 1 . 2]" 1 962 1 43 MET HA 1 46 ILE MD . . 5.030 2.754 2.659 2.874 . 0 0 "[ . 1 . 2]" 1 963 1 43 MET HA 1 46 ILE HG12 . . 4.070 2.258 2.171 2.305 . 0 0 "[ . 1 . 2]" 1 964 1 43 MET HA 1 46 ILE HG13 . . 3.900 3.618 3.470 3.742 . 0 0 "[ . 1 . 2]" 1 965 1 43 MET HA 1 46 ILE MG . . 5.500 3.612 3.463 3.740 . 0 0 "[ . 1 . 2]" 1 966 1 43 MET HA 1 62 PHE HB2 . . 5.500 4.356 4.326 4.374 . 0 0 "[ . 1 . 2]" 1 967 1 43 MET HA 1 62 PHE HB3 . . 5.500 5.643 5.622 5.660 0.160 17 0 "[ . 1 . 2]" 1 968 1 43 MET HA 1 62 PHE HE2 . . 3.810 2.207 2.179 2.254 . 0 0 "[ . 1 . 2]" 1 969 1 43 MET HB2 1 44 ALA H . . 4.460 3.888 3.857 3.929 . 0 0 "[ . 1 . 2]" 1 970 1 43 MET HB2 1 44 ALA HA . . 4.740 4.465 4.439 4.496 . 0 0 "[ . 1 . 2]" 1 971 1 43 MET HB2 1 45 GLU H . . 5.380 5.201 5.102 5.258 . 0 0 "[ . 1 . 2]" 1 972 1 43 MET HB2 1 46 ILE H . . 5.500 5.173 4.983 5.261 . 0 0 "[ . 1 . 2]" 1 973 1 43 MET HB2 1 46 ILE MD . . 5.140 3.022 2.845 3.118 . 0 0 "[ . 1 . 2]" 1 974 1 43 MET HB2 1 47 ASP QB . . 5.340 4.309 3.908 4.515 . 0 0 "[ . 1 . 2]" 1 975 1 43 MET HB2 1 62 PHE HE2 . . 5.500 3.596 3.493 3.767 . 0 0 "[ . 1 . 2]" 1 976 1 43 MET HB3 1 44 ALA H . . 4.820 4.191 4.171 4.216 . 0 0 "[ . 1 . 2]" 1 977 1 43 MET HB3 1 45 GLU H . . 5.490 5.577 5.515 5.609 0.119 19 0 "[ . 1 . 2]" 1 978 1 43 MET HB3 1 46 ILE MD . . 5.500 3.547 3.335 3.703 . 0 0 "[ . 1 . 2]" 1 979 1 43 MET HG2 1 44 ALA H . . 5.500 4.032 3.797 4.181 . 0 0 "[ . 1 . 2]" 1 980 1 43 MET HG2 1 44 ALA HA . . 5.500 5.583 5.529 5.636 0.136 16 0 "[ . 1 . 2]" 1 981 1 43 MET HG2 1 62 PHE HD2 . . 5.360 5.573 5.457 5.626 0.266 3 0 "[ . 1 . 2]" 1 982 1 43 MET HG3 1 62 PHE HD2 . . 5.500 5.551 5.440 5.646 0.146 12 0 "[ . 1 . 2]" 1 983 1 43 MET HG3 1 62 PHE HE2 . . 5.500 3.894 3.664 4.185 . 0 0 "[ . 1 . 2]" 1 984 1 44 ALA H 1 44 ALA MB . . 3.090 2.148 2.127 2.240 . 0 0 "[ . 1 . 2]" 1 985 1 44 ALA H 1 45 GLU H . . 3.320 2.567 2.526 2.645 . 0 0 "[ . 1 . 2]" 1 986 1 44 ALA H 1 45 GLU HA . . 5.500 5.144 5.106 5.220 . 0 0 "[ . 1 . 2]" 1 987 1 44 ALA H 1 45 GLU QB . . 5.340 4.672 4.552 4.762 . 0 0 "[ . 1 . 2]" 1 988 1 44 ALA H 1 45 GLU QG . . 5.340 3.935 3.722 4.112 . 0 0 "[ . 1 . 2]" 1 989 1 44 ALA H 1 46 ILE H . . 4.730 4.487 4.437 4.573 . 0 0 "[ . 1 . 2]" 1 990 1 44 ALA H 1 47 ASP QB . . 5.340 4.835 4.772 4.878 . 0 0 "[ . 1 . 2]" 1 991 1 44 ALA HA 1 47 ASP H . . 4.310 3.434 3.384 3.480 . 0 0 "[ . 1 . 2]" 1 992 1 44 ALA HA 1 47 ASP HB2 . . 3.930 3.490 3.230 3.932 0.002 20 0 "[ . 1 . 2]" 1 993 1 44 ALA HA 1 47 ASP QB . . 3.270 2.608 2.539 2.690 . 0 0 "[ . 1 . 2]" 1 994 1 44 ALA HA 1 47 ASP HB3 . . 3.930 2.700 2.603 2.809 . 0 0 "[ . 1 . 2]" 1 995 1 44 ALA HA 1 50 GLY H . . 5.500 6.018 5.956 6.128 0.628 12 14 "[ ***.-** **+* * ***]" 1 996 1 44 ALA MB 1 45 GLU H . . 3.340 2.974 2.937 2.998 . 0 0 "[ . 1 . 2]" 1 997 1 44 ALA MB 1 45 GLU HA . . 5.210 3.846 3.835 3.899 . 0 0 "[ . 1 . 2]" 1 998 1 44 ALA MB 1 45 GLU QG . . 5.340 3.416 3.315 3.552 . 0 0 "[ . 1 . 2]" 1 999 1 44 ALA MB 1 47 ASP QB . . 5.070 3.857 3.781 4.077 . 0 0 "[ . 1 . 2]" 1 1000 1 45 GLU H 1 45 GLU QB . . 2.840 2.443 2.350 2.521 . 0 0 "[ . 1 . 2]" 1 1001 1 45 GLU H 1 45 GLU HG2 . . 3.450 2.778 2.073 3.412 . 0 0 "[ . 1 . 2]" 1 1002 1 45 GLU H 1 45 GLU QG . . 3.010 2.275 2.056 2.483 . 0 0 "[ . 1 . 2]" 1 1003 1 45 GLU H 1 45 GLU HG3 . . 3.450 2.879 2.092 3.437 . 0 0 "[ . 1 . 2]" 1 1004 1 45 GLU H 1 46 ILE MG . . 5.210 4.295 4.201 4.409 . 0 0 "[ . 1 . 2]" 1 1005 1 45 GLU HA 1 45 GLU QB . . 2.610 2.364 2.331 2.404 . 0 0 "[ . 1 . 2]" 1 1006 1 45 GLU HA 1 45 GLU HG2 . . 3.840 2.638 2.355 3.000 . 0 0 "[ . 1 . 2]" 1 1007 1 45 GLU HA 1 45 GLU QG . . 3.010 2.565 2.300 2.898 . 0 0 "[ . 1 . 2]" 1 1008 1 45 GLU HA 1 45 GLU HG3 . . 3.840 3.527 3.070 3.834 . 0 0 "[ . 1 . 2]" 1 1009 1 45 GLU HA 1 46 ILE HA . . 4.700 4.747 4.727 4.757 0.057 2 0 "[ . 1 . 2]" 1 1010 1 45 GLU HA 1 46 ILE MG . . 5.500 5.023 4.963 5.079 . 0 0 "[ . 1 . 2]" 1 1011 1 45 GLU QB 1 45 GLU QG . . 2.220 2.047 2.012 2.086 . 0 0 "[ . 1 . 2]" 1 1012 1 45 GLU QG 1 46 ILE H . . 4.510 3.952 3.842 4.076 . 0 0 "[ . 1 . 2]" 1 1013 1 46 ILE H 1 46 ILE HB . . 3.780 3.611 3.601 3.621 . 0 0 "[ . 1 . 2]" 1 1014 1 46 ILE H 1 46 ILE MD . . 4.810 3.645 3.610 3.688 . 0 0 "[ . 1 . 2]" 1 1015 1 46 ILE H 1 46 ILE HG12 . . 3.200 1.984 1.924 2.061 . 0 0 "[ . 1 . 2]" 1 1016 1 46 ILE H 1 46 ILE MG . . 3.450 2.317 2.228 2.399 . 0 0 "[ . 1 . 2]" 1 1017 1 46 ILE H 1 47 ASP HA . . 5.500 5.189 5.161 5.212 . 0 0 "[ . 1 . 2]" 1 1018 1 46 ILE HA 1 46 ILE HB . . 3.020 2.492 2.462 2.523 . 0 0 "[ . 1 . 2]" 1 1019 1 46 ILE HA 1 46 ILE HG13 . . 3.900 3.684 3.668 3.698 . 0 0 "[ . 1 . 2]" 1 1020 1 46 ILE HA 1 46 ILE MG . . 3.360 2.303 2.275 2.327 . 0 0 "[ . 1 . 2]" 1 1021 1 46 ILE HA 1 47 ASP QB . . 5.340 5.182 5.140 5.196 . 0 0 "[ . 1 . 2]" 1 1022 1 46 ILE HB 1 46 ILE MD . . 3.650 2.371 2.339 2.402 . 0 0 "[ . 1 . 2]" 1 1023 1 46 ILE HB 1 46 ILE HG13 . . 2.670 2.513 2.494 2.531 . 0 0 "[ . 1 . 2]" 1 1024 1 46 ILE HB 1 54 ILE MD . . 5.500 4.506 4.334 4.641 . 0 0 "[ . 1 . 2]" 1 1025 1 46 ILE HB 1 58 GLU HA . . 5.500 2.727 2.634 2.985 . 0 0 "[ . 1 . 2]" 1 1026 1 46 ILE HB 1 58 GLU HB3 . . 5.500 2.886 2.761 2.947 . 0 0 "[ . 1 . 2]" 1 1027 1 46 ILE HB 1 58 GLU QG . . 5.230 3.641 3.520 3.844 . 0 0 "[ . 1 . 2]" 1 1028 1 46 ILE HB 1 61 SER QB . . 5.340 2.736 2.616 2.872 . 0 0 "[ . 1 . 2]" 1 1029 1 46 ILE MD 1 58 GLU HA . . 5.130 3.877 3.769 4.111 . 0 0 "[ . 1 . 2]" 1 1030 1 46 ILE MD 1 58 GLU HB2 . . 4.210 3.889 3.770 4.035 . 0 0 "[ . 1 . 2]" 1 1031 1 46 ILE MD 1 58 GLU HB3 . . 3.860 2.714 2.595 2.922 . 0 0 "[ . 1 . 2]" 1 1032 1 46 ILE MD 1 59 PHE H . . 4.980 3.624 3.523 3.764 . 0 0 "[ . 1 . 2]" 1 1033 1 46 ILE MD 1 59 PHE HA . . 3.750 2.318 2.200 2.459 . 0 0 "[ . 1 . 2]" 1 1034 1 46 ILE MD 1 61 SER H . . 5.360 4.680 4.615 4.788 . 0 0 "[ . 1 . 2]" 1 1035 1 46 ILE MD 1 62 PHE H . . 3.600 3.375 3.298 3.446 . 0 0 "[ . 1 . 2]" 1 1036 1 46 ILE MD 1 62 PHE HA . . 5.500 3.864 3.781 3.927 . 0 0 "[ . 1 . 2]" 1 1037 1 46 ILE MD 1 62 PHE HB2 . . 4.160 1.939 1.917 1.961 . 0 0 "[ . 1 . 2]" 1 1038 1 46 ILE MD 1 62 PHE HB3 . . 4.920 3.447 3.393 3.476 . 0 0 "[ . 1 . 2]" 1 1039 1 46 ILE MD 1 62 PHE HD2 . . 3.880 1.938 1.888 2.059 . 0 0 "[ . 1 . 2]" 1 1040 1 46 ILE MD 1 63 CYS H . . 5.500 5.103 5.069 5.146 . 0 0 "[ . 1 . 2]" 1 1041 1 46 ILE HG12 1 58 GLU HB3 . . 5.500 4.883 4.729 5.122 . 0 0 "[ . 1 . 2]" 1 1042 1 46 ILE HG12 1 62 PHE H . . 5.500 5.197 5.095 5.270 . 0 0 "[ . 1 . 2]" 1 1043 1 46 ILE HG13 1 47 ASP H . . 4.550 2.192 2.038 2.336 . 0 0 "[ . 1 . 2]" 1 1044 1 46 ILE HG13 1 47 ASP HA . . 4.400 3.488 3.412 3.565 . 0 0 "[ . 1 . 2]" 1 1045 1 46 ILE MG 1 47 ASP H . . 5.500 4.017 3.962 4.043 . 0 0 "[ . 1 . 2]" 1 1046 1 46 ILE MG 1 58 GLU HA . . 4.490 3.782 3.650 3.929 . 0 0 "[ . 1 . 2]" 1 1047 1 46 ILE MG 1 58 GLU HB3 . . 4.990 4.334 4.212 4.418 . 0 0 "[ . 1 . 2]" 1 1048 1 46 ILE MG 1 58 GLU QG . . 5.340 4.818 4.714 4.913 . 0 0 "[ . 1 . 2]" 1 1049 1 46 ILE MG 1 59 PHE H . . 5.490 5.013 4.836 5.075 . 0 0 "[ . 1 . 2]" 1 1050 1 46 ILE MG 1 61 SER QB . . 5.340 1.857 1.806 1.931 . 0 0 "[ . 1 . 2]" 1 1051 1 46 ILE MG 1 62 PHE H . . 5.090 2.225 2.154 2.255 . 0 0 "[ . 1 . 2]" 1 1052 1 46 ILE MG 1 62 PHE HA . . 4.950 2.366 2.307 2.424 . 0 0 "[ . 1 . 2]" 1 1053 1 46 ILE MG 1 62 PHE HB2 . . 5.350 1.966 1.913 2.143 . 0 0 "[ . 1 . 2]" 1 1054 1 46 ILE MG 1 62 PHE HB3 . . 5.130 3.416 3.366 3.570 . 0 0 "[ . 1 . 2]" 1 1055 1 46 ILE MG 1 62 PHE HD2 . . 4.750 2.950 2.858 3.137 . 0 0 "[ . 1 . 2]" 1 1056 1 46 ILE MG 1 63 CYS H . . 5.500 4.242 4.194 4.344 . 0 0 "[ . 1 . 2]" 1 1057 1 47 ASP H 1 47 ASP HB2 . . 3.400 2.524 2.420 2.649 . 0 0 "[ . 1 . 2]" 1 1058 1 47 ASP H 1 47 ASP QB . . 2.920 2.282 2.246 2.350 . 0 0 "[ . 1 . 2]" 1 1059 1 47 ASP H 1 47 ASP HB3 . . 3.400 2.607 2.557 2.663 . 0 0 "[ . 1 . 2]" 1 1060 1 47 ASP H 1 48 THR H . . 4.830 4.356 4.280 4.396 . 0 0 "[ . 1 . 2]" 1 1061 1 47 ASP H 1 54 ILE MG . . 5.500 4.051 3.856 4.367 . 0 0 "[ . 1 . 2]" 1 1062 1 47 ASP HA 1 48 THR H . . 2.850 2.153 2.146 2.173 . 0 0 "[ . 1 . 2]" 1 1063 1 47 ASP HA 1 48 THR HB . . 5.500 4.601 4.556 4.782 . 0 0 "[ . 1 . 2]" 1 1064 1 47 ASP HA 1 48 THR MG . . 4.810 3.966 3.667 4.035 . 0 0 "[ . 1 . 2]" 1 1065 1 47 ASP HA 1 49 ASP H . . 5.040 3.393 3.326 3.499 . 0 0 "[ . 1 . 2]" 1 1066 1 47 ASP HA 1 50 GLY H . . 5.500 4.184 3.989 4.397 . 0 0 "[ . 1 . 2]" 1 1067 1 47 ASP HA 1 54 ILE HB . . 5.500 5.147 4.861 5.533 0.033 20 0 "[ . 1 . 2]" 1 1068 1 47 ASP HA 1 54 ILE MG . . 3.600 3.120 2.809 3.429 . 0 0 "[ . 1 . 2]" 1 1069 1 47 ASP QB 1 48 THR H . . 3.930 3.911 3.890 3.948 0.018 7 0 "[ . 1 . 2]" 1 1070 1 47 ASP QB 1 50 GLY H . . 5.340 3.562 3.344 3.878 . 0 0 "[ . 1 . 2]" 1 1071 1 47 ASP QB 1 50 GLY QA . . 4.960 3.299 3.006 3.737 . 0 0 "[ . 1 . 2]" 1 1072 1 47 ASP QB 1 54 ILE MD . . 5.340 4.957 4.846 5.022 . 0 0 "[ . 1 . 2]" 1 1073 1 47 ASP QB 1 54 ILE MG . . 3.050 2.861 2.756 2.971 . 0 0 "[ . 1 . 2]" 1 1074 1 47 ASP HB2 1 48 THR H . . 4.540 4.471 4.433 4.529 . 0 0 "[ . 1 . 2]" 1 1075 1 47 ASP HB3 1 48 THR H . . 4.540 4.318 4.288 4.347 . 0 0 "[ . 1 . 2]" 1 1076 1 48 THR H 1 48 THR HB . . 3.770 2.734 2.632 2.881 . 0 0 "[ . 1 . 2]" 1 1077 1 48 THR H 1 48 THR MG . . 3.470 2.182 1.867 2.273 . 0 0 "[ . 1 . 2]" 1 1078 1 48 THR H 1 49 ASP HA . . 5.500 4.886 4.796 4.983 . 0 0 "[ . 1 . 2]" 1 1079 1 48 THR H 1 50 GLY H . . 3.770 3.770 3.739 3.819 0.049 20 0 "[ . 1 . 2]" 1 1080 1 48 THR H 1 50 GLY QA . . 5.340 5.320 5.285 5.395 0.055 20 0 "[ . 1 . 2]" 1 1081 1 48 THR HA 1 48 THR HB . . 2.780 2.505 2.413 2.523 . 0 0 "[ . 1 . 2]" 1 1082 1 48 THR HA 1 49 ASP HA . . 5.500 4.602 4.573 4.670 . 0 0 "[ . 1 . 2]" 1 1083 1 48 THR HA 1 50 GLY H . . 4.880 3.705 3.495 3.816 . 0 0 "[ . 1 . 2]" 1 1084 1 48 THR HB 1 49 ASP H . . 4.010 4.126 4.054 4.243 0.233 18 0 "[ . 1 . 2]" 1 1085 1 48 THR MG 1 49 ASP H . . 5.300 2.278 2.071 2.345 . 0 0 "[ . 1 . 2]" 1 1086 1 49 ASP H 1 49 ASP HB2 . . 3.490 3.195 3.072 3.463 . 0 0 "[ . 1 . 2]" 1 1087 1 49 ASP H 1 49 ASP QB . . 2.850 2.970 2.897 3.010 0.160 18 0 "[ . 1 . 2]" 1 1088 1 49 ASP H 1 49 ASP HB3 . . 3.490 3.548 3.181 3.600 0.110 2 0 "[ . 1 . 2]" 1 1089 1 49 ASP H 1 50 GLY H . . 2.980 2.304 2.204 2.541 . 0 0 "[ . 1 . 2]" 1 1090 1 49 ASP H 1 50 GLY QA . . 4.350 4.150 4.071 4.342 . 0 0 "[ . 1 . 2]" 1 1091 1 49 ASP HA 1 49 ASP QB . . 2.560 2.164 2.157 2.179 . 0 0 "[ . 1 . 2]" 1 1092 1 49 ASP HA 1 50 GLY QA . . 5.340 4.251 4.232 4.258 . 0 0 "[ . 1 . 2]" 1 1093 1 49 ASP QB 1 50 GLY H . . 3.860 3.630 3.601 3.822 . 0 0 "[ . 1 . 2]" 1 1094 1 49 ASP HB2 1 50 GLY H . . 4.650 3.808 3.768 4.090 . 0 0 "[ . 1 . 2]" 1 1095 1 49 ASP HB2 1 51 ASP H . . 4.620 2.980 2.839 3.324 . 0 0 "[ . 1 . 2]" 1 1096 1 49 ASP HB3 1 50 GLY H . . 4.650 4.578 4.571 4.593 . 0 0 "[ . 1 . 2]" 1 1097 1 49 ASP HB3 1 51 ASP H . . 4.620 4.599 4.450 4.701 0.081 13 0 "[ . 1 . 2]" 1 1098 1 50 GLY H 1 50 GLY QA . . 2.560 2.190 2.189 2.190 . 0 0 "[ . 1 . 2]" 1 1099 1 50 GLY H 1 51 ASP H . . 2.810 2.860 2.830 2.872 0.062 18 0 "[ . 1 . 2]" 1 1100 1 50 GLY QA 1 51 ASP H . . 3.030 2.777 2.759 2.808 . 0 0 "[ . 1 . 2]" 1 1101 1 50 GLY QA 1 51 ASP QB . . 4.760 4.426 4.391 4.442 . 0 0 "[ . 1 . 2]" 1 1102 1 51 ASP H 1 51 ASP HB2 . . 3.650 3.717 3.671 3.731 0.081 14 0 "[ . 1 . 2]" 1 1103 1 51 ASP H 1 51 ASP QB . . 2.860 2.666 2.459 2.757 . 0 0 "[ . 1 . 2]" 1 1104 1 51 ASP H 1 51 ASP HB3 . . 3.650 2.732 2.498 2.841 . 0 0 "[ . 1 . 2]" 1 1105 1 51 ASP H 1 52 GLY H . . 4.480 4.526 4.521 4.530 0.050 13 0 "[ . 1 . 2]" 1 1106 1 51 ASP H 1 52 GLY QA . . 4.690 4.958 4.925 4.990 0.300 10 0 "[ . 1 . 2]" 1 1107 1 51 ASP QB 1 52 GLY QA . . 4.160 4.075 4.038 4.197 0.037 13 0 "[ . 1 . 2]" 1 1108 1 52 GLY H 1 53 PHE H . . 4.280 3.316 3.205 3.424 . 0 0 "[ . 1 . 2]" 1 1109 1 52 GLY QA 1 53 PHE H . . 2.400 2.659 2.602 2.716 0.316 10 0 "[ . 1 . 2]" 1 1110 1 52 GLY QA 1 53 PHE HB2 . . 5.340 4.388 4.332 4.686 . 0 0 "[ . 1 . 2]" 1 1111 1 52 GLY QA 1 53 PHE HD2 . . 4.650 4.025 3.772 4.139 . 0 0 "[ . 1 . 2]" 1 1112 1 52 GLY QA 1 53 PHE HE2 . . 5.340 4.928 4.176 5.135 . 0 0 "[ . 1 . 2]" 1 1113 1 53 PHE H 1 53 PHE HB2 . . 3.220 2.940 2.918 2.983 . 0 0 "[ . 1 . 2]" 1 1114 1 53 PHE H 1 53 PHE HB3 . . 3.890 3.871 3.850 3.967 0.077 13 0 "[ . 1 . 2]" 1 1115 1 53 PHE H 1 53 PHE HD2 . . 4.750 4.210 3.540 4.361 . 0 0 "[ . 1 . 2]" 1 1116 1 53 PHE H 1 54 ILE H . . 5.400 4.277 4.251 4.296 . 0 0 "[ . 1 . 2]" 1 1117 1 53 PHE H 1 54 ILE MG . . 5.040 3.534 3.400 3.633 . 0 0 "[ . 1 . 2]" 1 1118 1 53 PHE HA 1 53 PHE HD1 . . 4.250 2.540 2.449 2.830 . 0 0 "[ . 1 . 2]" 1 1119 1 53 PHE HA 1 53 PHE HD2 . . 3.990 4.152 4.106 4.184 0.194 20 0 "[ . 1 . 2]" 1 1120 1 53 PHE HA 1 54 ILE H . . 3.170 2.263 2.239 2.282 . 0 0 "[ . 1 . 2]" 1 1121 1 53 PHE HA 1 54 ILE MG . . 4.450 3.715 3.332 3.906 . 0 0 "[ . 1 . 2]" 1 1122 1 53 PHE HB2 1 53 PHE HD2 . . 3.060 2.300 2.288 2.360 . 0 0 "[ . 1 . 2]" 1 1123 1 53 PHE HB2 1 54 ILE H . . 3.920 4.090 3.948 4.149 0.229 6 0 "[ . 1 . 2]" 1 1124 1 53 PHE HB3 1 53 PHE HD1 . . 3.080 2.624 2.484 2.667 . 0 0 "[ . 1 . 2]" 1 1125 1 53 PHE HB3 1 54 ILE H . . 2.970 2.862 2.812 2.931 . 0 0 "[ . 1 . 2]" 1 1126 1 53 PHE HB3 1 54 ILE QG . . 5.500 4.806 4.695 4.942 . 0 0 "[ . 1 . 2]" 1 1127 1 53 PHE HD1 1 54 ILE H . . 5.020 3.071 2.881 3.882 . 0 0 "[ . 1 . 2]" 1 1128 1 54 ILE H 1 54 ILE MD . . 5.500 3.991 3.936 4.089 . 0 0 "[ . 1 . 2]" 1 1129 1 54 ILE H 1 54 ILE QG . . 3.120 2.313 2.234 2.421 . 0 0 "[ . 1 . 2]" 1 1130 1 54 ILE H 1 54 ILE MG . . 3.980 3.150 2.883 3.313 . 0 0 "[ . 1 . 2]" 1 1131 1 54 ILE HA 1 54 ILE MG . . 3.240 2.302 2.246 2.433 . 0 0 "[ . 1 . 2]" 1 1132 1 54 ILE HA 1 55 ASP H . . 3.060 2.190 2.161 2.214 . 0 0 "[ . 1 . 2]" 1 1133 1 54 ILE HA 1 55 ASP HA . . 5.410 4.360 4.357 4.367 . 0 0 "[ . 1 . 2]" 1 1134 1 54 ILE HA 1 58 GLU HB2 . . 5.500 3.035 2.905 3.114 . 0 0 "[ . 1 . 2]" 1 1135 1 54 ILE HA 1 58 GLU QG . . 5.230 3.747 3.567 3.976 . 0 0 "[ . 1 . 2]" 1 1136 1 54 ILE HA 1 59 PHE H . . 5.500 4.887 4.796 4.976 . 0 0 "[ . 1 . 2]" 1 1137 1 54 ILE HB 1 54 ILE MD . . 3.650 2.323 2.229 2.419 . 0 0 "[ . 1 . 2]" 1 1138 1 54 ILE HB 1 55 ASP H . . 3.450 3.029 2.924 3.196 . 0 0 "[ . 1 . 2]" 1 1139 1 54 ILE HB 1 55 ASP HA . . 5.500 4.748 4.673 4.833 . 0 0 "[ . 1 . 2]" 1 1140 1 54 ILE HB 1 58 GLU HA . . 5.460 4.493 4.409 4.648 . 0 0 "[ . 1 . 2]" 1 1141 1 54 ILE HB 1 58 GLU HB2 . . 3.260 2.127 2.014 2.310 . 0 0 "[ . 1 . 2]" 1 1142 1 54 ILE HB 1 59 PHE H . . 4.490 2.927 2.821 3.108 . 0 0 "[ . 1 . 2]" 1 1143 1 54 ILE HB 1 59 PHE HD1 . . 5.500 4.610 4.385 4.873 . 0 0 "[ . 1 . 2]" 1 1144 1 54 ILE MD 1 55 ASP H . . 5.500 4.761 4.669 4.819 . 0 0 "[ . 1 . 2]" 1 1145 1 54 ILE MD 1 59 PHE H . . 5.230 3.272 3.166 3.418 . 0 0 "[ . 1 . 2]" 1 1146 1 54 ILE MD 1 59 PHE HA . . 4.010 2.399 2.330 2.448 . 0 0 "[ . 1 . 2]" 1 1147 1 54 ILE MD 1 59 PHE HB2 . . 3.170 1.939 1.916 1.962 . 0 0 "[ . 1 . 2]" 1 1148 1 54 ILE QG 1 55 ASP H . . 4.730 4.083 3.768 4.316 . 0 0 "[ . 1 . 2]" 1 1149 1 54 ILE QG 1 59 PHE H . . 4.590 3.989 3.528 4.369 . 0 0 "[ . 1 . 2]" 1 1150 1 54 ILE QG 1 59 PHE HA . . 5.500 4.272 4.029 4.464 . 0 0 "[ . 1 . 2]" 1 1151 1 54 ILE QG 1 59 PHE HB2 . . 4.430 3.016 2.632 3.409 . 0 0 "[ . 1 . 2]" 1 1152 1 54 ILE QG 1 59 PHE HD1 . . 5.140 3.948 3.883 4.067 . 0 0 "[ . 1 . 2]" 1 1153 1 54 ILE MG 1 55 ASP H . . 4.140 3.798 3.711 3.936 . 0 0 "[ . 1 . 2]" 1 1154 1 54 ILE MG 1 58 GLU HA . . 5.500 4.611 4.321 5.031 . 0 0 "[ . 1 . 2]" 1 1155 1 54 ILE MG 1 58 GLU HB2 . . 3.800 3.243 3.003 3.532 . 0 0 "[ . 1 . 2]" 1 1156 1 54 ILE MG 1 58 GLU HB3 . . 4.290 2.357 2.025 2.850 . 0 0 "[ . 1 . 2]" 1 1157 1 54 ILE MG 1 58 GLU QG . . 5.340 3.686 3.434 3.978 . 0 0 "[ . 1 . 2]" 1 1158 1 54 ILE MG 1 59 PHE H . . 5.500 4.313 4.188 4.529 . 0 0 "[ . 1 . 2]" 1 1159 1 54 ILE MG 1 59 PHE HA . . 5.500 4.252 4.130 4.376 . 0 0 "[ . 1 . 2]" 1 1160 1 54 ILE MG 1 59 PHE HB2 . . 5.500 4.574 4.471 4.646 . 0 0 "[ . 1 . 2]" 1 1161 1 55 ASP H 1 55 ASP HB2 . . 3.960 2.667 2.179 2.884 . 0 0 "[ . 1 . 2]" 1 1162 1 55 ASP H 1 55 ASP HB3 . . 3.960 3.548 3.184 3.665 . 0 0 "[ . 1 . 2]" 1 1163 1 55 ASP H 1 58 GLU HA . . 5.440 4.886 4.689 5.105 . 0 0 "[ . 1 . 2]" 1 1164 1 55 ASP H 1 58 GLU HB2 . . 3.610 2.118 1.930 2.282 . 0 0 "[ . 1 . 2]" 1 1165 1 55 ASP H 1 58 GLU HB3 . . 3.990 3.556 3.365 3.703 . 0 0 "[ . 1 . 2]" 1 1166 1 55 ASP H 1 58 GLU QG . . 2.950 2.763 2.543 3.007 0.057 10 0 "[ . 1 . 2]" 1 1167 1 55 ASP HA 1 55 ASP QB . . 2.310 2.311 2.224 2.539 0.229 5 0 "[ . 1 . 2]" 1 1168 1 55 ASP HA 1 56 PHE HA . . 5.220 4.305 4.295 4.322 . 0 0 "[ . 1 . 2]" 1 1169 1 55 ASP HA 1 56 PHE HB3 . . 5.500 5.465 5.399 5.537 0.037 1 0 "[ . 1 . 2]" 1 1170 1 55 ASP HA 1 57 ASN H . . 5.150 4.571 4.436 4.710 . 0 0 "[ . 1 . 2]" 1 1171 1 55 ASP QB 1 56 PHE H . . 2.910 2.223 2.103 2.344 . 0 0 "[ . 1 . 2]" 1 1172 1 55 ASP QB 1 56 PHE HA . . 5.110 4.363 4.288 4.416 . 0 0 "[ . 1 . 2]" 1 1173 1 55 ASP QB 1 56 PHE HB2 . . 5.340 4.051 3.945 4.154 . 0 0 "[ . 1 . 2]" 1 1174 1 55 ASP QB 1 57 ASN HB2 . . 4.320 3.349 3.209 3.456 . 0 0 "[ . 1 . 2]" 1 1175 1 55 ASP QB 1 58 GLU H . . 4.430 2.885 2.803 3.073 . 0 0 "[ . 1 . 2]" 1 1176 1 55 ASP QB 1 58 GLU HA . . 5.340 5.289 5.164 5.360 0.020 1 0 "[ . 1 . 2]" 1 1177 1 55 ASP HB2 1 56 PHE H . . 3.430 3.083 2.730 3.597 0.167 4 0 "[ . 1 . 2]" 1 1178 1 55 ASP HB2 1 57 ASN H . . 4.030 3.009 2.577 4.087 0.057 6 0 "[ . 1 . 2]" 1 1179 1 55 ASP HB2 1 58 GLU H . . 5.140 3.061 2.843 3.819 . 0 0 "[ . 1 . 2]" 1 1180 1 55 ASP HB3 1 56 PHE H . . 3.430 2.295 2.118 2.468 . 0 0 "[ . 1 . 2]" 1 1181 1 55 ASP HB3 1 57 ASN H . . 4.030 3.362 2.489 3.697 . 0 0 "[ . 1 . 2]" 1 1182 1 55 ASP HB3 1 58 GLU H . . 5.140 4.175 3.208 4.494 . 0 0 "[ . 1 . 2]" 1 1183 1 56 PHE H 1 56 PHE HB2 . . 3.050 2.213 2.177 2.265 . 0 0 "[ . 1 . 2]" 1 1184 1 56 PHE H 1 56 PHE HB3 . . 3.270 2.914 2.837 2.972 . 0 0 "[ . 1 . 2]" 1 1185 1 56 PHE H 1 56 PHE HD1 . . 5.500 4.047 3.942 4.178 . 0 0 "[ . 1 . 2]" 1 1186 1 56 PHE H 1 57 ASN HA . . 5.500 5.373 5.267 5.433 . 0 0 "[ . 1 . 2]" 1 1187 1 56 PHE H 1 57 ASN HB2 . . 4.770 4.633 4.484 4.728 . 0 0 "[ . 1 . 2]" 1 1188 1 56 PHE H 1 58 GLU H . . 5.500 4.200 4.082 4.263 . 0 0 "[ . 1 . 2]" 1 1189 1 56 PHE H 1 59 PHE H . . 5.500 4.850 4.740 4.914 . 0 0 "[ . 1 . 2]" 1 1190 1 56 PHE HA 1 56 PHE HD1 . . 3.570 2.116 2.056 2.193 . 0 0 "[ . 1 . 2]" 1 1191 1 56 PHE HA 1 57 ASN HB2 . . 5.500 5.569 5.561 5.576 0.076 7 0 "[ . 1 . 2]" 1 1192 1 56 PHE HA 1 59 PHE H . . 3.830 3.776 3.640 3.865 0.035 13 0 "[ . 1 . 2]" 1 1193 1 56 PHE HA 1 60 ILE HG12 . . 4.850 3.694 3.607 3.774 . 0 0 "[ . 1 . 2]" 1 1194 1 56 PHE HB2 1 56 PHE HD1 . . 3.560 2.833 2.792 2.865 . 0 0 "[ . 1 . 2]" 1 1195 1 56 PHE HB2 1 57 ASN H . . 3.600 3.601 3.523 3.646 0.046 12 0 "[ . 1 . 2]" 1 1196 1 56 PHE HB2 1 57 ASN HA . . 5.500 5.484 5.451 5.504 0.004 11 0 "[ . 1 . 2]" 1 1197 1 56 PHE HB2 1 58 GLU H . . 5.500 5.646 5.621 5.680 0.180 5 0 "[ . 1 . 2]" 1 1198 1 56 PHE HB3 1 57 ASN H . . 4.180 2.613 2.535 2.685 . 0 0 "[ . 1 . 2]" 1 1199 1 56 PHE HB3 1 57 ASN HA . . 5.500 3.967 3.917 4.001 . 0 0 "[ . 1 . 2]" 1 1200 1 56 PHE HB3 1 58 GLU H . . 5.500 4.998 4.949 5.044 . 0 0 "[ . 1 . 2]" 1 1201 1 56 PHE HD1 1 60 ILE MD . . 5.500 4.780 4.563 4.995 . 0 0 "[ . 1 . 2]" 1 1202 1 56 PHE HD2 1 57 ASN H . . 5.500 4.588 4.490 4.670 . 0 0 "[ . 1 . 2]" 1 1203 1 56 PHE HD2 1 57 ASN HA . . 5.240 4.715 4.651 4.762 . 0 0 "[ . 1 . 2]" 1 1204 1 56 PHE HD2 1 60 ILE MD . . 5.500 4.662 4.485 4.797 . 0 0 "[ . 1 . 2]" 1 1205 1 56 PHE HE1 1 60 ILE MD . . 4.950 3.985 3.631 4.308 . 0 0 "[ . 1 . 2]" 1 1206 1 56 PHE HE2 1 60 ILE MD . . 5.500 3.902 3.721 4.060 . 0 0 "[ . 1 . 2]" 1 1207 1 56 PHE HE2 1 60 ILE HG13 . . 3.930 3.893 3.741 3.977 0.047 12 0 "[ . 1 . 2]" 1 1208 1 57 ASN H 1 57 ASN HB2 . . 3.230 2.075 2.067 2.084 . 0 0 "[ . 1 . 2]" 1 1209 1 57 ASN H 1 57 ASN HB3 . . 3.590 3.229 3.198 3.280 . 0 0 "[ . 1 . 2]" 1 1210 1 57 ASN H 1 57 ASN HD22 . . 5.500 5.166 4.771 5.413 . 0 0 "[ . 1 . 2]" 1 1211 1 57 ASN H 1 58 GLU H . . 3.100 2.632 2.573 2.703 . 0 0 "[ . 1 . 2]" 1 1212 1 57 ASN H 1 58 GLU HB2 . . 5.500 4.665 4.607 4.751 . 0 0 "[ . 1 . 2]" 1 1213 1 57 ASN H 1 60 ILE H . . 5.040 4.676 4.608 4.717 . 0 0 "[ . 1 . 2]" 1 1214 1 57 ASN HA 1 60 ILE H . . 4.060 3.755 3.708 3.796 . 0 0 "[ . 1 . 2]" 1 1215 1 57 ASN HA 1 60 ILE HB . . 3.510 2.646 2.559 2.722 . 0 0 "[ . 1 . 2]" 1 1216 1 57 ASN HA 1 60 ILE HG12 . . 4.970 4.387 4.324 4.461 . 0 0 "[ . 1 . 2]" 1 1217 1 57 ASN HA 1 60 ILE HG13 . . 3.750 3.778 3.740 3.816 0.066 5 0 "[ . 1 . 2]" 1 1218 1 57 ASN HA 1 60 ILE MG . . 5.120 3.714 3.619 3.798 . 0 0 "[ . 1 . 2]" 1 1219 1 57 ASN HA 1 61 SER H . . 5.370 3.997 3.913 4.172 . 0 0 "[ . 1 . 2]" 1 1220 1 57 ASN HB2 1 58 GLU H . . 3.790 3.241 3.170 3.299 . 0 0 "[ . 1 . 2]" 1 1221 1 57 ASN HB3 1 58 GLU H . . 3.620 2.936 2.845 3.004 . 0 0 "[ . 1 . 2]" 1 1222 1 57 ASN HB3 1 59 PHE H . . 5.500 5.462 5.345 5.515 0.015 20 0 "[ . 1 . 2]" 1 1223 1 57 ASN HB3 1 60 ILE H . . 5.500 5.534 5.476 5.572 0.072 8 0 "[ . 1 . 2]" 1 1224 1 57 ASN HD21 1 58 GLU H . . 4.840 4.777 4.641 4.967 0.127 19 0 "[ . 1 . 2]" 1 1225 1 57 ASN HD22 1 60 ILE HB . . 5.500 5.013 4.883 5.170 . 0 0 "[ . 1 . 2]" 1 1226 1 57 ASN HD22 1 60 ILE MG . . 5.500 4.600 4.424 4.808 . 0 0 "[ . 1 . 2]" 1 1227 1 58 GLU H 1 58 GLU HB2 . . 3.410 2.310 2.280 2.333 . 0 0 "[ . 1 . 2]" 1 1228 1 58 GLU H 1 58 GLU HB3 . . 3.910 3.558 3.546 3.568 . 0 0 "[ . 1 . 2]" 1 1229 1 58 GLU H 1 58 GLU QG . . 2.940 2.573 2.530 2.647 . 0 0 "[ . 1 . 2]" 1 1230 1 58 GLU H 1 59 PHE HB2 . . 5.440 4.994 4.920 5.065 . 0 0 "[ . 1 . 2]" 1 1231 1 58 GLU H 1 59 PHE HB3 . . 5.500 4.966 4.852 5.073 . 0 0 "[ . 1 . 2]" 1 1232 1 58 GLU H 1 61 SER H . . 5.130 4.665 4.635 4.733 . 0 0 "[ . 1 . 2]" 1 1233 1 58 GLU HA 1 58 GLU HG2 . . 3.650 2.349 2.274 2.396 . 0 0 "[ . 1 . 2]" 1 1234 1 58 GLU HA 1 58 GLU QG . . 3.140 2.276 2.223 2.311 . 0 0 "[ . 1 . 2]" 1 1235 1 58 GLU HA 1 58 GLU HG3 . . 3.650 3.058 3.001 3.131 . 0 0 "[ . 1 . 2]" 1 1236 1 58 GLU HB2 1 58 GLU QG . . 2.620 2.285 2.247 2.304 . 0 0 "[ . 1 . 2]" 1 1237 1 58 GLU HB2 1 59 PHE H . . 3.480 2.401 2.368 2.470 . 0 0 "[ . 1 . 2]" 1 1238 1 58 GLU HB2 1 60 ILE H . . 5.500 4.805 4.766 4.850 . 0 0 "[ . 1 . 2]" 1 1239 1 58 GLU HB3 1 58 GLU QG . . 2.620 2.398 2.379 2.434 . 0 0 "[ . 1 . 2]" 1 1240 1 58 GLU HB3 1 59 PHE H . . 3.490 3.153 3.069 3.298 . 0 0 "[ . 1 . 2]" 1 1241 1 58 GLU HB3 1 59 PHE HA . . 4.760 4.096 4.049 4.171 . 0 0 "[ . 1 . 2]" 1 1242 1 58 GLU HB3 1 59 PHE HB2 . . 5.090 4.768 4.671 4.856 . 0 0 "[ . 1 . 2]" 1 1243 1 58 GLU HB3 1 60 ILE H . . 5.210 5.260 5.243 5.291 0.081 19 0 "[ . 1 . 2]" 1 1244 1 58 GLU QG 1 59 PHE H . . 5.340 4.110 4.089 4.142 . 0 0 "[ . 1 . 2]" 1 1245 1 59 PHE H 1 59 PHE HA . . 2.940 2.785 2.775 2.810 . 0 0 "[ . 1 . 2]" 1 1246 1 59 PHE H 1 59 PHE HB2 . . 2.950 2.392 2.327 2.486 . 0 0 "[ . 1 . 2]" 1 1247 1 59 PHE H 1 59 PHE HB3 . . 3.190 2.677 2.575 2.752 . 0 0 "[ . 1 . 2]" 1 1248 1 59 PHE H 1 59 PHE HD1 . . 5.500 4.400 4.299 4.541 . 0 0 "[ . 1 . 2]" 1 1249 1 59 PHE H 1 59 PHE HD2 . . 5.500 4.947 4.847 5.008 . 0 0 "[ . 1 . 2]" 1 1250 1 59 PHE H 1 61 SER H . . 4.500 4.361 4.307 4.393 . 0 0 "[ . 1 . 2]" 1 1251 1 59 PHE HA 1 59 PHE HD1 . . 4.700 2.143 1.986 2.316 . 0 0 "[ . 1 . 2]" 1 1252 1 59 PHE HB3 1 60 ILE H . . 3.520 2.684 2.634 2.771 . 0 0 "[ . 1 . 2]" 1 1253 1 59 PHE HD1 1 60 ILE H . . 5.500 5.256 5.137 5.346 . 0 0 "[ . 1 . 2]" 1 1254 1 59 PHE HD2 1 60 ILE H . . 5.500 4.414 4.247 4.635 . 0 0 "[ . 1 . 2]" 1 1255 1 60 ILE H 1 60 ILE HB . . 3.170 2.299 2.275 2.317 . 0 0 "[ . 1 . 2]" 1 1256 1 60 ILE H 1 60 ILE MD . . 4.550 3.890 3.850 3.960 . 0 0 "[ . 1 . 2]" 1 1257 1 60 ILE H 1 60 ILE HG12 . . 3.150 2.647 2.599 2.736 . 0 0 "[ . 1 . 2]" 1 1258 1 60 ILE H 1 61 SER H . . 3.470 2.673 2.606 2.706 . 0 0 "[ . 1 . 2]" 1 1259 1 60 ILE H 1 62 PHE H . . 4.420 4.028 4.011 4.050 . 0 0 "[ . 1 . 2]" 1 1260 1 60 ILE H 1 63 CYS H . . 5.500 5.197 5.120 5.284 . 0 0 "[ . 1 . 2]" 1 1261 1 60 ILE HA 1 60 ILE MD . . 3.360 2.083 2.033 2.171 . 0 0 "[ . 1 . 2]" 1 1262 1 60 ILE HA 1 60 ILE HG12 . . 3.690 2.609 2.557 2.652 . 0 0 "[ . 1 . 2]" 1 1263 1 60 ILE HA 1 63 CYS H . . 4.270 3.293 3.246 3.337 . 0 0 "[ . 1 . 2]" 1 1264 1 60 ILE HA 1 63 CYS HB2 . . 4.920 4.083 3.923 4.224 . 0 0 "[ . 1 . 2]" 1 1265 1 60 ILE HA 1 63 CYS HB3 . . 3.490 3.324 3.233 3.424 . 0 0 "[ . 1 . 2]" 1 1266 1 60 ILE HB 1 60 ILE MD . . 3.700 3.213 3.208 3.217 . 0 0 "[ . 1 . 2]" 1 1267 1 60 ILE HB 1 61 SER H . . 3.500 2.626 2.594 2.687 . 0 0 "[ . 1 . 2]" 1 1268 1 60 ILE HB 1 62 PHE H . . 5.500 4.862 4.840 4.898 . 0 0 "[ . 1 . 2]" 1 1269 1 60 ILE MD 1 61 SER H . . 5.500 4.703 4.684 4.732 . 0 0 "[ . 1 . 2]" 1 1270 1 60 ILE MD 1 63 CYS H . . 5.500 4.482 4.443 4.523 . 0 0 "[ . 1 . 2]" 1 1271 1 60 ILE MD 1 63 CYS HB2 . . 5.160 4.315 4.190 4.404 . 0 0 "[ . 1 . 2]" 1 1272 1 60 ILE MD 1 63 CYS HB3 . . 3.690 3.381 3.304 3.443 . 0 0 "[ . 1 . 2]" 1 1273 1 60 ILE MD 1 64 ASN HD21 . . 5.500 3.494 3.400 3.665 . 0 0 "[ . 1 . 2]" 1 1274 1 60 ILE MD 1 64 ASN HD22 . . 5.500 3.999 3.788 4.170 . 0 0 "[ . 1 . 2]" 1 1275 1 60 ILE HG12 1 61 SER H . . 4.930 4.564 4.538 4.603 . 0 0 "[ . 1 . 2]" 1 1276 1 60 ILE HG12 1 63 CYS HB3 . . 5.500 5.621 5.585 5.677 0.177 17 0 "[ . 1 . 2]" 1 1277 1 60 ILE MG 1 61 SER H . . 4.600 2.975 2.915 3.024 . 0 0 "[ . 1 . 2]" 1 1278 1 60 ILE MG 1 61 SER HA . . 3.310 3.105 3.055 3.146 . 0 0 "[ . 1 . 2]" 1 1279 1 60 ILE MG 1 61 SER QB . . 5.340 4.180 3.875 4.363 . 0 0 "[ . 1 . 2]" 1 1280 1 60 ILE MG 1 62 PHE H . . 5.500 4.324 4.290 4.345 . 0 0 "[ . 1 . 2]" 1 1281 1 60 ILE MG 1 63 CYS H . . 5.500 3.981 3.911 4.026 . 0 0 "[ . 1 . 2]" 1 1282 1 60 ILE MG 1 63 CYS HB3 . . 5.500 3.453 3.377 3.510 . 0 0 "[ . 1 . 2]" 1 1283 1 60 ILE MG 1 64 ASN H . . 4.930 3.126 3.082 3.169 . 0 0 "[ . 1 . 2]" 1 1284 1 60 ILE MG 1 64 ASN HB2 . . 4.240 2.902 2.841 3.029 . 0 0 "[ . 1 . 2]" 1 1285 1 60 ILE MG 1 64 ASN HD21 . . 4.030 1.943 1.901 2.101 . 0 0 "[ . 1 . 2]" 1 1286 1 60 ILE MG 1 64 ASN HD22 . . 4.140 2.809 2.684 2.925 . 0 0 "[ . 1 . 2]" 1 1287 1 61 SER H 1 61 SER QB . . 2.570 2.271 2.253 2.308 . 0 0 "[ . 1 . 2]" 1 1288 1 61 SER H 1 62 PHE HB2 . . 5.100 4.873 4.864 4.888 . 0 0 "[ . 1 . 2]" 1 1289 1 61 SER H 1 64 ASN HB2 . . 5.150 4.564 4.514 4.605 . 0 0 "[ . 1 . 2]" 1 1290 1 61 SER HA 1 64 ASN H . . 4.870 3.491 3.455 3.537 . 0 0 "[ . 1 . 2]" 1 1291 1 61 SER HA 1 64 ASN HB2 . . 3.430 2.459 2.405 2.520 . 0 0 "[ . 1 . 2]" 1 1292 1 61 SER HA 1 64 ASN HD21 . . 4.410 4.233 4.061 4.334 . 0 0 "[ . 1 . 2]" 1 1293 1 61 SER HA 1 64 ASN HD22 . . 5.500 5.460 5.327 5.516 0.016 12 0 "[ . 1 . 2]" 1 1294 1 61 SER QB 1 62 PHE H . . 3.040 2.918 2.892 2.940 . 0 0 "[ . 1 . 2]" 1 1295 1 61 SER QB 1 64 ASN HB2 . . 5.340 4.526 4.445 4.618 . 0 0 "[ . 1 . 2]" 1 1296 1 61 SER QB 1 64 ASN HB3 . . 5.340 5.276 5.166 5.353 0.013 14 0 "[ . 1 . 2]" 1 1297 1 62 PHE H 1 62 PHE HB2 . . 3.270 2.320 2.284 2.365 . 0 0 "[ . 1 . 2]" 1 1298 1 62 PHE H 1 62 PHE HB3 . . 3.280 2.778 2.731 2.812 . 0 0 "[ . 1 . 2]" 1 1299 1 62 PHE H 1 62 PHE HD1 . . 5.500 4.791 4.780 4.800 . 0 0 "[ . 1 . 2]" 1 1300 1 62 PHE H 1 62 PHE HD2 . . 4.990 4.539 4.509 4.576 . 0 0 "[ . 1 . 2]" 1 1301 1 62 PHE H 1 63 CYS H . . 3.250 2.633 2.576 2.696 . 0 0 "[ . 1 . 2]" 1 1302 1 62 PHE H 1 65 ALA H . . 5.060 4.802 4.761 4.844 . 0 0 "[ . 1 . 2]" 1 1303 1 62 PHE H 1 65 ALA MB . . 5.310 4.746 4.706 4.789 . 0 0 "[ . 1 . 2]" 1 1304 1 62 PHE H 1 70 MET HG3 . . 5.500 5.363 5.068 5.546 0.046 10 0 "[ . 1 . 2]" 1 1305 1 62 PHE HA 1 62 PHE HD1 . . 3.240 3.072 2.966 3.235 . 0 0 "[ . 1 . 2]" 1 1306 1 62 PHE HA 1 65 ALA H . . 3.910 3.871 3.845 3.889 . 0 0 "[ . 1 . 2]" 1 1307 1 62 PHE HA 1 65 ALA MB . . 3.380 2.945 2.924 2.960 . 0 0 "[ . 1 . 2]" 1 1308 1 62 PHE HA 1 66 ASN H . . 5.500 5.212 5.147 5.279 . 0 0 "[ . 1 . 2]" 1 1309 1 62 PHE HA 1 67 PRO HD2 . . 5.500 5.002 4.921 5.099 . 0 0 "[ . 1 . 2]" 1 1310 1 62 PHE HB2 1 62 PHE HD2 . . 3.060 2.284 2.282 2.288 . 0 0 "[ . 1 . 2]" 1 1311 1 62 PHE HB2 1 63 CYS H . . 3.700 3.648 3.604 3.724 0.024 13 0 "[ . 1 . 2]" 1 1312 1 62 PHE HB2 1 63 CYS HB2 . . 5.500 5.620 5.595 5.650 0.150 15 0 "[ . 1 . 2]" 1 1313 1 62 PHE HB2 1 65 ALA MB . . 5.500 5.220 5.188 5.236 . 0 0 "[ . 1 . 2]" 1 1314 1 62 PHE HB3 1 62 PHE HD1 . . 3.190 2.783 2.719 2.826 . 0 0 "[ . 1 . 2]" 1 1315 1 62 PHE HB3 1 63 CYS H . . 4.190 2.554 2.500 2.637 . 0 0 "[ . 1 . 2]" 1 1316 1 62 PHE HB3 1 63 CYS HB3 . . 4.920 4.682 4.603 4.783 . 0 0 "[ . 1 . 2]" 1 1317 1 62 PHE HB3 1 65 ALA H . . 5.500 5.470 5.433 5.518 0.018 14 0 "[ . 1 . 2]" 1 1318 1 62 PHE HB3 1 65 ALA MB . . 5.500 5.221 5.205 5.233 . 0 0 "[ . 1 . 2]" 1 1319 1 62 PHE HB3 1 70 MET HB3 . . 5.500 5.058 4.913 5.152 . 0 0 "[ . 1 . 2]" 1 1320 1 62 PHE HB3 1 70 MET ME . . 5.500 4.395 3.962 4.658 . 0 0 "[ . 1 . 2]" 1 1321 1 62 PHE HB3 1 70 MET HG2 . . 5.500 4.030 3.753 4.195 . 0 0 "[ . 1 . 2]" 1 1322 1 62 PHE HD1 1 63 CYS H . . 4.070 3.861 3.825 3.892 . 0 0 "[ . 1 . 2]" 1 1323 1 62 PHE HD1 1 63 CYS HA . . 3.820 3.316 3.222 3.372 . 0 0 "[ . 1 . 2]" 1 1324 1 62 PHE HD1 1 63 CYS HB2 . . 5.020 4.675 4.499 4.768 . 0 0 "[ . 1 . 2]" 1 1325 1 62 PHE HD1 1 67 PRO HD2 . . 3.860 3.233 3.136 3.409 . 0 0 "[ . 1 . 2]" 1 1326 1 62 PHE HD1 1 67 PRO HG2 . . 5.500 3.069 2.992 3.165 . 0 0 "[ . 1 . 2]" 1 1327 1 62 PHE HD1 1 67 PRO HG3 . . 3.680 2.479 2.378 2.569 . 0 0 "[ . 1 . 2]" 1 1328 1 62 PHE HD1 1 69 LEU HB2 . . 5.500 4.032 3.967 4.101 . 0 0 "[ . 1 . 2]" 1 1329 1 62 PHE HD1 1 69 LEU HB3 . . 5.500 5.583 5.539 5.700 0.200 14 0 "[ . 1 . 2]" 1 1330 1 62 PHE HD1 1 69 LEU MD2 . . 5.490 4.361 4.047 4.585 . 0 0 "[ . 1 . 2]" 1 1331 1 62 PHE HD1 1 70 MET H . . 5.500 3.575 3.454 3.666 . 0 0 "[ . 1 . 2]" 1 1332 1 62 PHE HD1 1 70 MET HG2 . . 4.510 2.921 2.641 3.090 . 0 0 "[ . 1 . 2]" 1 1333 1 62 PHE HD1 1 70 MET HG3 . . 4.620 2.034 1.978 2.133 . 0 0 "[ . 1 . 2]" 1 1334 1 62 PHE HE1 1 67 PRO HD2 . . 5.500 3.875 3.787 4.006 . 0 0 "[ . 1 . 2]" 1 1335 1 62 PHE HE1 1 67 PRO HG3 . . 4.550 2.284 2.255 2.392 . 0 0 "[ . 1 . 2]" 1 1336 1 62 PHE HE1 1 69 LEU H . . 4.400 3.186 3.125 3.237 . 0 0 "[ . 1 . 2]" 1 1337 1 62 PHE HE1 1 69 LEU HB2 . . 5.500 1.879 1.862 1.899 . 0 0 "[ . 1 . 2]" 1 1338 1 62 PHE HE1 1 69 LEU HB3 . . 5.500 3.505 3.457 3.563 . 0 0 "[ . 1 . 2]" 1 1339 1 62 PHE HE1 1 69 LEU MD2 . . 5.500 2.434 2.055 2.667 . 0 0 "[ . 1 . 2]" 1 1340 1 62 PHE HE1 1 70 MET HG2 . . 4.840 2.984 2.851 3.177 . 0 0 "[ . 1 . 2]" 1 1341 1 62 PHE HE1 1 70 MET HG3 . . 5.300 3.491 3.340 3.681 . 0 0 "[ . 1 . 2]" 1 1342 1 63 CYS H 1 63 CYS HB2 . . 2.920 2.657 2.622 2.688 . 0 0 "[ . 1 . 2]" 1 1343 1 63 CYS H 1 63 CYS HB3 . . 3.120 2.458 2.426 2.507 . 0 0 "[ . 1 . 2]" 1 1344 1 63 CYS H 1 64 ASN HB2 . . 5.500 4.293 4.255 4.332 . 0 0 "[ . 1 . 2]" 1 1345 1 63 CYS H 1 64 ASN HD21 . . 5.500 4.644 4.484 4.738 . 0 0 "[ . 1 . 2]" 1 1346 1 63 CYS H 1 65 ALA H . . 5.500 3.849 3.799 3.890 . 0 0 "[ . 1 . 2]" 1 1347 1 63 CYS H 1 66 ASN H . . 5.500 4.946 4.911 4.980 . 0 0 "[ . 1 . 2]" 1 1348 1 63 CYS H 1 70 MET HG3 . . 5.500 3.824 3.579 3.958 . 0 0 "[ . 1 . 2]" 1 1349 1 63 CYS HA 1 63 CYS HB2 . . 2.550 2.443 2.425 2.470 . 0 0 "[ . 1 . 2]" 1 1350 1 63 CYS HA 1 64 ASN HA . . 4.850 4.823 4.817 4.827 . 0 0 "[ . 1 . 2]" 1 1351 1 63 CYS HA 1 65 ALA H . . 4.900 3.810 3.741 3.892 . 0 0 "[ . 1 . 2]" 1 1352 1 63 CYS HA 1 66 ASN H . . 4.130 3.277 3.240 3.325 . 0 0 "[ . 1 . 2]" 1 1353 1 63 CYS HA 1 70 MET H . . 4.930 4.778 4.660 4.853 . 0 0 "[ . 1 . 2]" 1 1354 1 63 CYS HA 1 70 MET HB2 . . 3.530 2.981 2.750 3.144 . 0 0 "[ . 1 . 2]" 1 1355 1 63 CYS HA 1 70 MET HB3 . . 4.260 4.052 3.645 4.279 0.019 8 0 "[ . 1 . 2]" 1 1356 1 63 CYS HA 1 70 MET HG3 . . 3.200 3.035 2.852 3.188 . 0 0 "[ . 1 . 2]" 1 1357 1 63 CYS HA 1 71 LYS H . . 5.500 5.463 5.261 5.543 0.043 3 0 "[ . 1 . 2]" 1 1358 1 63 CYS HA 1 71 LYS QG . . 5.340 5.255 4.886 5.466 0.126 8 0 "[ . 1 . 2]" 1 1359 1 63 CYS HB2 1 64 ASN H . . 3.870 3.871 3.827 3.896 0.026 9 0 "[ . 1 . 2]" 1 1360 1 63 CYS HB2 1 64 ASN HA . . 5.500 5.596 5.587 5.600 0.100 9 0 "[ . 1 . 2]" 1 1361 1 63 CYS HB2 1 65 ALA H . . 5.500 5.454 5.393 5.513 0.013 8 0 "[ . 1 . 2]" 1 1362 1 63 CYS HB2 1 67 PRO HD2 . . 5.500 5.538 5.480 5.573 0.073 2 0 "[ . 1 . 2]" 1 1363 1 63 CYS HB2 1 70 MET HB3 . . 3.960 3.586 3.285 3.782 . 0 0 "[ . 1 . 2]" 1 1364 1 63 CYS HB3 1 64 ASN H . . 4.030 2.549 2.524 2.566 . 0 0 "[ . 1 . 2]" 1 1365 1 63 CYS HB3 1 64 ASN HA . . 5.070 4.250 4.194 4.289 . 0 0 "[ . 1 . 2]" 1 1366 1 63 CYS HB3 1 65 ALA H . . 5.030 4.756 4.713 4.799 . 0 0 "[ . 1 . 2]" 1 1367 1 63 CYS HB3 1 66 ASN H . . 5.360 5.261 5.242 5.275 . 0 0 "[ . 1 . 2]" 1 1368 1 63 CYS HB3 1 70 MET HB3 . . 5.500 5.319 4.991 5.520 0.020 5 0 "[ . 1 . 2]" 1 1369 1 64 ASN H 1 64 ASN HB2 . . 2.780 2.102 2.090 2.125 . 0 0 "[ . 1 . 2]" 1 1370 1 64 ASN H 1 64 ASN HD21 . . 4.520 2.672 2.505 2.771 . 0 0 "[ . 1 . 2]" 1 1371 1 64 ASN H 1 64 ASN HD22 . . 5.500 4.297 4.158 4.378 . 0 0 "[ . 1 . 2]" 1 1372 1 64 ASN H 1 65 ALA H . . 3.240 2.684 2.676 2.691 . 0 0 "[ . 1 . 2]" 1 1373 1 64 ASN H 1 65 ALA HA . . 5.500 5.281 5.267 5.289 . 0 0 "[ . 1 . 2]" 1 1374 1 64 ASN H 1 65 ALA MB . . 5.340 4.293 4.277 4.303 . 0 0 "[ . 1 . 2]" 1 1375 1 64 ASN H 1 66 ASN H . . 4.580 4.101 4.087 4.122 . 0 0 "[ . 1 . 2]" 1 1376 1 64 ASN HA 1 64 ASN HB3 . . 2.780 2.776 2.749 2.792 0.012 12 0 "[ . 1 . 2]" 1 1377 1 64 ASN HA 1 64 ASN HD21 . . 3.390 3.070 2.928 3.156 . 0 0 "[ . 1 . 2]" 1 1378 1 64 ASN HA 1 64 ASN HD22 . . 5.010 3.717 3.649 3.757 . 0 0 "[ . 1 . 2]" 1 1379 1 64 ASN HA 1 65 ALA H . . 3.500 3.448 3.428 3.466 . 0 0 "[ . 1 . 2]" 1 1380 1 64 ASN HA 1 66 ASN H . . 3.880 3.890 3.847 3.925 0.045 19 0 "[ . 1 . 2]" 1 1381 1 64 ASN HB2 1 64 ASN HD21 . . 3.020 2.355 2.308 2.423 . 0 0 "[ . 1 . 2]" 1 1382 1 64 ASN HB2 1 64 ASN HD22 . . 3.620 3.529 3.509 3.557 . 0 0 "[ . 1 . 2]" 1 1383 1 64 ASN HB2 1 65 ALA H . . 3.600 3.326 3.223 3.398 . 0 0 "[ . 1 . 2]" 1 1384 1 64 ASN HB2 1 66 ASN H . . 5.500 5.223 5.157 5.263 . 0 0 "[ . 1 . 2]" 1 1385 1 64 ASN HB3 1 65 ALA H . . 3.950 3.487 3.436 3.529 . 0 0 "[ . 1 . 2]" 1 1386 1 64 ASN HB3 1 65 ALA HA . . 4.090 4.089 4.066 4.107 0.017 1 0 "[ . 1 . 2]" 1 1387 1 64 ASN HB3 1 66 ASN H . . 5.500 5.149 5.105 5.178 . 0 0 "[ . 1 . 2]" 1 1388 1 65 ALA H 1 65 ALA MB . . 2.840 2.108 2.094 2.118 . 0 0 "[ . 1 . 2]" 1 1389 1 65 ALA H 1 66 ASN H . . 2.670 2.381 2.345 2.435 . 0 0 "[ . 1 . 2]" 1 1390 1 65 ALA H 1 66 ASN QB . . 5.270 4.975 4.931 5.032 . 0 0 "[ . 1 . 2]" 1 1391 1 65 ALA H 1 66 ASN HD21 . . 4.360 4.066 3.817 4.293 . 0 0 "[ . 1 . 2]" 1 1392 1 65 ALA H 1 67 PRO HD2 . . 4.840 4.327 4.277 4.364 . 0 0 "[ . 1 . 2]" 1 1393 1 65 ALA H 1 67 PRO HD3 . . 5.060 3.392 3.351 3.426 . 0 0 "[ . 1 . 2]" 1 1394 1 65 ALA HA 1 66 ASN H . . 3.400 3.419 3.411 3.424 0.024 7 0 "[ . 1 . 2]" 1 1395 1 65 ALA HA 1 66 ASN HA . . 5.500 5.267 5.261 5.272 . 0 0 "[ . 1 . 2]" 1 1396 1 65 ALA HA 1 66 ASN QB . . 4.420 4.112 4.058 4.156 . 0 0 "[ . 1 . 2]" 1 1397 1 65 ALA HA 1 67 PRO HD3 . . 5.280 4.211 4.159 4.249 . 0 0 "[ . 1 . 2]" 1 1398 1 65 ALA MB 1 66 ASN H . . 3.540 3.053 3.040 3.071 . 0 0 "[ . 1 . 2]" 1 1399 1 65 ALA MB 1 66 ASN QB . . 5.270 4.380 4.350 4.398 . 0 0 "[ . 1 . 2]" 1 1400 1 65 ALA MB 1 67 PRO HD2 . . 4.840 3.773 3.735 3.818 . 0 0 "[ . 1 . 2]" 1 1401 1 65 ALA MB 1 67 PRO HD3 . . 5.500 2.333 2.296 2.376 . 0 0 "[ . 1 . 2]" 1 1402 1 66 ASN H 1 66 ASN HB2 . . 4.090 3.321 3.263 3.380 . 0 0 "[ . 1 . 2]" 1 1403 1 66 ASN H 1 66 ASN QB . . 3.210 3.176 3.133 3.217 0.007 5 0 "[ . 1 . 2]" 1 1404 1 66 ASN H 1 66 ASN HB3 . . 4.090 4.041 4.034 4.052 . 0 0 "[ . 1 . 2]" 1 1405 1 66 ASN H 1 66 ASN HD21 . . 3.610 2.712 2.470 2.987 . 0 0 "[ . 1 . 2]" 1 1406 1 66 ASN H 1 67 PRO HA . . 5.500 5.295 5.285 5.305 . 0 0 "[ . 1 . 2]" 1 1407 1 66 ASN H 1 67 PRO HD2 . . 3.560 2.770 2.718 2.794 . 0 0 "[ . 1 . 2]" 1 1408 1 66 ASN H 1 67 PRO HD3 . . 3.670 2.506 2.478 2.526 . 0 0 "[ . 1 . 2]" 1 1409 1 66 ASN H 1 67 PRO HG3 . . 4.900 4.660 4.620 4.684 . 0 0 "[ . 1 . 2]" 1 1410 1 66 ASN HA 1 67 PRO HG2 . . 5.500 4.375 4.367 4.393 . 0 0 "[ . 1 . 2]" 1 1411 1 66 ASN HA 1 68 GLY H . . 3.650 3.332 3.257 3.441 . 0 0 "[ . 1 . 2]" 1 1412 1 66 ASN HA 1 71 LYS QG . . 5.340 3.723 3.380 4.065 . 0 0 "[ . 1 . 2]" 1 1413 1 66 ASN QB 1 66 ASN HD21 . . 3.080 2.322 2.244 2.400 . 0 0 "[ . 1 . 2]" 1 1414 1 66 ASN QB 1 66 ASN HD22 . . 3.480 3.329 3.302 3.355 . 0 0 "[ . 1 . 2]" 1 1415 1 66 ASN QB 1 67 PRO HA . . 5.030 4.576 4.564 4.582 . 0 0 "[ . 1 . 2]" 1 1416 1 66 ASN QB 1 67 PRO HD2 . . 4.560 4.212 4.205 4.223 . 0 0 "[ . 1 . 2]" 1 1417 1 66 ASN QB 1 67 PRO HD3 . . 4.590 4.325 4.298 4.336 . 0 0 "[ . 1 . 2]" 1 1418 1 67 PRO HA 1 68 GLY HA2 . . 5.500 5.113 5.104 5.129 . 0 0 "[ . 1 . 2]" 1 1419 1 67 PRO HA 1 68 GLY HA3 . . 5.500 4.526 4.519 4.533 . 0 0 "[ . 1 . 2]" 1 1420 1 67 PRO HA 1 69 LEU H . . 4.880 4.763 4.726 4.812 . 0 0 "[ . 1 . 2]" 1 1421 1 67 PRO QB 1 68 GLY HA3 . . 4.560 4.322 4.289 4.360 . 0 0 "[ . 1 . 2]" 1 1422 1 67 PRO QB 1 69 LEU H . . 3.890 3.226 3.126 3.284 . 0 0 "[ . 1 . 2]" 1 1423 1 67 PRO QB 1 69 LEU HB2 . . 4.110 3.837 3.722 3.896 . 0 0 "[ . 1 . 2]" 1 1424 1 67 PRO QB 1 69 LEU HG . . 3.490 3.987 3.890 4.203 0.713 14 7 "[* . 1 **+.*-* 2]" 1 1425 1 67 PRO HD2 1 68 GLY H . . 4.230 2.656 2.648 2.669 . 0 0 "[ . 1 . 2]" 1 1426 1 67 PRO HD2 1 70 MET HG2 . . 5.500 4.916 4.812 5.154 . 0 0 "[ . 1 . 2]" 1 1427 1 67 PRO HD2 1 70 MET HG3 . . 4.880 4.127 3.906 4.487 . 0 0 "[ . 1 . 2]" 1 1428 1 67 PRO HD3 1 68 GLY H . . 4.240 3.846 3.839 3.854 . 0 0 "[ . 1 . 2]" 1 1429 1 67 PRO HD3 1 69 LEU H . . 5.280 4.848 4.825 4.887 . 0 0 "[ . 1 . 2]" 1 1430 1 67 PRO HG2 1 68 GLY H . . 3.400 2.464 2.332 2.567 . 0 0 "[ . 1 . 2]" 1 1431 1 67 PRO HG2 1 68 GLY HA2 . . 5.130 4.670 4.594 4.719 . 0 0 "[ . 1 . 2]" 1 1432 1 67 PRO HG2 1 68 GLY HA3 . . 5.500 4.746 4.711 4.787 . 0 0 "[ . 1 . 2]" 1 1433 1 67 PRO HG2 1 69 LEU HB2 . . 5.500 2.860 2.751 3.001 . 0 0 "[ . 1 . 2]" 1 1434 1 67 PRO HG2 1 70 MET HG2 . . 5.500 4.173 4.091 4.324 . 0 0 "[ . 1 . 2]" 1 1435 1 67 PRO HG3 1 70 MET HG2 . . 5.500 4.652 4.524 4.783 . 0 0 "[ . 1 . 2]" 1 1436 1 67 PRO HG3 1 70 MET HG3 . . 5.500 4.291 4.149 4.466 . 0 0 "[ . 1 . 2]" 1 1437 1 68 GLY H 1 69 LEU H . . 3.230 2.077 2.022 2.114 . 0 0 "[ . 1 . 2]" 1 1438 1 68 GLY H 1 69 LEU HB2 . . 4.310 4.375 4.304 4.463 0.153 18 0 "[ . 1 . 2]" 1 1439 1 68 GLY H 1 70 MET H . . 3.830 3.803 3.701 3.886 0.056 5 0 "[ . 1 . 2]" 1 1440 1 68 GLY H 1 71 LYS HE2 . . 5.500 4.379 2.960 5.571 0.071 19 0 "[ . 1 . 2]" 1 1441 1 68 GLY H 1 71 LYS HE3 . . 5.500 4.709 3.798 5.546 0.046 13 0 "[ . 1 . 2]" 1 1442 1 68 GLY H 1 71 LYS QG . . 5.000 2.820 2.531 3.081 . 0 0 "[ . 1 . 2]" 1 1443 1 68 GLY HA2 1 69 LEU HA . . 5.100 4.570 4.563 4.578 . 0 0 "[ . 1 . 2]" 1 1444 1 68 GLY HA2 1 70 MET H . . 5.010 5.003 4.971 5.048 0.038 9 0 "[ . 1 . 2]" 1 1445 1 68 GLY HA2 1 71 LYS H . . 3.950 3.830 3.796 3.920 . 0 0 "[ . 1 . 2]" 1 1446 1 68 GLY HA2 1 71 LYS HB2 . . 3.400 3.222 3.023 3.415 0.015 16 0 "[ . 1 . 2]" 1 1447 1 68 GLY HA2 1 71 LYS HB3 . . 4.620 4.269 4.154 4.491 . 0 0 "[ . 1 . 2]" 1 1448 1 68 GLY HA2 1 71 LYS HD2 . . 4.660 4.029 2.454 4.621 . 0 0 "[ . 1 . 2]" 1 1449 1 68 GLY HA2 1 71 LYS QD . . 3.880 3.543 2.121 3.785 . 0 0 "[ . 1 . 2]" 1 1450 1 68 GLY HA2 1 71 LYS HD3 . . 4.660 4.107 2.320 4.709 0.049 3 0 "[ . 1 . 2]" 1 1451 1 68 GLY HA2 1 71 LYS HE2 . . 5.200 3.645 1.987 5.298 0.098 8 0 "[ . 1 . 2]" 1 1452 1 68 GLY HA2 1 71 LYS QE . . 4.450 3.235 1.960 4.496 0.046 16 0 "[ . 1 . 2]" 1 1453 1 68 GLY HA2 1 71 LYS HE3 . . 5.200 3.773 2.434 5.038 . 0 0 "[ . 1 . 2]" 1 1454 1 68 GLY HA2 1 71 LYS QG . . 5.340 2.063 1.875 2.495 . 0 0 "[ . 1 . 2]" 1 1455 1 68 GLY HA2 1 72 ASP H . . 5.320 5.182 4.944 5.343 0.023 9 0 "[ . 1 . 2]" 1 1456 1 68 GLY HA3 1 69 LEU HA . . 5.430 4.472 4.463 4.478 . 0 0 "[ . 1 . 2]" 1 1457 1 69 LEU H 1 69 LEU HB2 . . 2.950 2.488 2.436 2.559 . 0 0 "[ . 1 . 2]" 1 1458 1 69 LEU H 1 69 LEU HB3 . . 3.670 3.667 3.650 3.685 0.015 18 0 "[ . 1 . 2]" 1 1459 1 69 LEU H 1 69 LEU MD1 . . 5.500 3.493 2.878 3.726 . 0 0 "[ . 1 . 2]" 1 1460 1 69 LEU H 1 69 LEU MD2 . . 3.780 1.971 1.899 2.134 . 0 0 "[ . 1 . 2]" 1 1461 1 69 LEU H 1 69 LEU HG . . 4.280 4.085 4.042 4.127 . 0 0 "[ . 1 . 2]" 1 1462 1 69 LEU H 1 70 MET H . . 2.530 2.417 2.379 2.437 . 0 0 "[ . 1 . 2]" 1 1463 1 69 LEU H 1 70 MET HG2 . . 4.630 4.462 4.355 4.637 0.007 14 0 "[ . 1 . 2]" 1 1464 1 69 LEU H 1 70 MET HG3 . . 5.500 5.036 4.801 5.443 . 0 0 "[ . 1 . 2]" 1 1465 1 69 LEU HA 1 69 LEU MD1 . . 3.220 1.923 1.875 2.053 . 0 0 "[ . 1 . 2]" 1 1466 1 69 LEU HA 1 69 LEU HG . . 3.540 3.747 3.646 3.780 0.240 9 0 "[ . 1 . 2]" 1 1467 1 69 LEU HA 1 70 MET HG2 . . 5.500 5.262 5.135 5.471 . 0 0 "[ . 1 . 2]" 1 1468 1 69 LEU HA 1 71 LYS H . . 4.500 3.974 3.834 4.108 . 0 0 "[ . 1 . 2]" 1 1469 1 69 LEU HA 1 72 ASP H . . 5.130 4.022 3.789 4.146 . 0 0 "[ . 1 . 2]" 1 1470 1 69 LEU HB2 1 69 LEU MD2 . . 2.930 2.181 2.017 2.249 . 0 0 "[ . 1 . 2]" 1 1471 1 69 LEU HB2 1 70 MET ME . . 5.500 4.162 3.912 4.342 . 0 0 "[ . 1 . 2]" 1 1472 1 69 LEU HB2 1 70 MET HG2 . . 4.140 3.122 3.010 3.271 . 0 0 "[ . 1 . 2]" 1 1473 1 69 LEU HB2 1 70 MET HG3 . . 5.300 4.307 4.140 4.635 . 0 0 "[ . 1 . 2]" 1 1474 1 69 LEU HB2 1 71 LYS H . . 5.500 4.450 4.408 4.529 . 0 0 "[ . 1 . 2]" 1 1475 1 69 LEU HB3 1 70 MET H . . 3.420 3.265 3.174 3.390 . 0 0 "[ . 1 . 2]" 1 1476 1 69 LEU HB3 1 70 MET HG2 . . 4.270 3.934 3.725 4.279 0.009 18 0 "[ . 1 . 2]" 1 1477 1 69 LEU HB3 1 73 VAL MG2 . . 5.200 3.399 3.148 3.510 . 0 0 "[ . 1 . 2]" 1 1478 1 69 LEU MD1 1 70 MET H . . 5.500 4.471 4.295 4.528 . 0 0 "[ . 1 . 2]" 1 1479 1 69 LEU MD2 1 70 MET H . . 4.480 3.406 3.199 3.551 . 0 0 "[ . 1 . 2]" 1 1480 1 69 LEU MD2 1 70 MET HG2 . . 5.090 4.626 4.393 4.758 . 0 0 "[ . 1 . 2]" 1 1481 1 69 LEU MD2 1 70 MET HG3 . . 5.500 5.221 5.169 5.250 . 0 0 "[ . 1 . 2]" 1 1482 1 69 LEU HG 1 70 MET H . . 5.360 4.661 4.599 4.766 . 0 0 "[ . 1 . 2]" 1 1483 1 70 MET H 1 70 MET HB2 . . 3.190 2.544 2.398 2.627 . 0 0 "[ . 1 . 2]" 1 1484 1 70 MET H 1 70 MET HB3 . . 3.620 3.586 3.576 3.592 . 0 0 "[ . 1 . 2]" 1 1485 1 70 MET H 1 70 MET ME . . 5.500 3.639 3.528 3.734 . 0 0 "[ . 1 . 2]" 1 1486 1 70 MET H 1 70 MET HG2 . . 3.270 2.228 2.113 2.421 . 0 0 "[ . 1 . 2]" 1 1487 1 70 MET H 1 70 MET HG3 . . 3.940 3.067 2.881 3.398 . 0 0 "[ . 1 . 2]" 1 1488 1 70 MET H 1 71 LYS H . . 3.100 2.650 2.604 2.743 . 0 0 "[ . 1 . 2]" 1 1489 1 70 MET H 1 71 LYS HG2 . . 5.460 4.500 3.743 5.397 . 0 0 "[ . 1 . 2]" 1 1490 1 70 MET H 1 71 LYS QG . . 4.650 3.994 3.684 4.346 . 0 0 "[ . 1 . 2]" 1 1491 1 70 MET H 1 71 LYS HG3 . . 5.460 4.967 3.959 5.501 0.041 1 0 "[ . 1 . 2]" 1 1492 1 70 MET H 1 73 VAL H . . 5.500 4.821 4.705 4.903 . 0 0 "[ . 1 . 2]" 1 1493 1 70 MET H 1 73 VAL HB . . 5.500 4.764 4.681 4.846 . 0 0 "[ . 1 . 2]" 1 1494 1 70 MET H 1 73 VAL MG2 . . 5.500 3.740 3.670 3.797 . 0 0 "[ . 1 . 2]" 1 1495 1 70 MET HA 1 70 MET ME . . 5.500 2.203 2.120 2.353 . 0 0 "[ . 1 . 2]" 1 1496 1 70 MET HA 1 73 VAL H . . 3.850 2.952 2.870 3.073 . 0 0 "[ . 1 . 2]" 1 1497 1 70 MET HA 1 73 VAL HB . . 4.410 1.979 1.931 2.047 . 0 0 "[ . 1 . 2]" 1 1498 1 70 MET HA 1 73 VAL MG2 . . 4.330 2.014 1.958 2.215 . 0 0 "[ . 1 . 2]" 1 1499 1 70 MET HA 1 74 ALA H . . 4.840 3.248 3.158 3.400 . 0 0 "[ . 1 . 2]" 1 1500 1 70 MET HB2 1 70 MET HG3 . . 2.650 2.225 2.208 2.268 . 0 0 "[ . 1 . 2]" 1 1501 1 70 MET HB2 1 71 LYS H . . 3.280 3.070 2.897 3.191 . 0 0 "[ . 1 . 2]" 1 1502 1 70 MET HB3 1 70 MET HG2 . . 2.990 2.920 2.886 2.972 . 0 0 "[ . 1 . 2]" 1 1503 1 70 MET HB3 1 71 LYS H . . 4.060 4.022 3.817 4.114 0.054 8 0 "[ . 1 . 2]" 1 1504 1 70 MET ME 1 70 MET HG3 . . 3.950 3.310 3.261 3.348 . 0 0 "[ . 1 . 2]" 1 1505 1 70 MET ME 1 73 VAL H . . 5.500 4.370 4.232 4.492 . 0 0 "[ . 1 . 2]" 1 1506 1 70 MET ME 1 73 VAL HA . . 5.500 4.712 4.543 4.782 . 0 0 "[ . 1 . 2]" 1 1507 1 70 MET ME 1 73 VAL MG1 . . 3.970 2.203 1.985 2.396 . 0 0 "[ . 1 . 2]" 1 1508 1 70 MET ME 1 74 ALA H . . 5.370 4.065 3.778 4.294 . 0 0 "[ . 1 . 2]" 1 1509 1 70 MET ME 1 74 ALA HA . . 5.500 5.030 4.861 5.144 . 0 0 "[ . 1 . 2]" 1 1510 1 70 MET HG2 1 71 LYS H . . 4.680 4.460 4.362 4.611 . 0 0 "[ . 1 . 2]" 1 1511 1 70 MET HG3 1 71 LYS H . . 5.500 4.891 4.688 5.195 . 0 0 "[ . 1 . 2]" 1 1512 1 71 LYS H 1 71 LYS HB2 . . 3.110 2.564 2.363 2.733 . 0 0 "[ . 1 . 2]" 1 1513 1 71 LYS H 1 71 LYS HB3 . . 3.780 3.585 3.569 3.598 . 0 0 "[ . 1 . 2]" 1 1514 1 71 LYS H 1 71 LYS HD2 . . 5.500 4.472 2.849 4.924 . 0 0 "[ . 1 . 2]" 1 1515 1 71 LYS H 1 71 LYS QD . . 4.720 3.943 2.765 4.437 . 0 0 "[ . 1 . 2]" 1 1516 1 71 LYS H 1 71 LYS HD3 . . 5.500 4.439 3.729 5.057 . 0 0 "[ . 1 . 2]" 1 1517 1 71 LYS H 1 71 LYS HE2 . . 5.500 4.255 2.782 5.503 0.003 13 0 "[ . 1 . 2]" 1 1518 1 71 LYS H 1 71 LYS HE3 . . 5.500 4.382 2.589 5.518 0.018 19 0 "[ . 1 . 2]" 1 1519 1 71 LYS H 1 71 LYS HG2 . . 4.580 2.436 1.880 3.183 . 0 0 "[ . 1 . 2]" 1 1520 1 71 LYS H 1 71 LYS QG . . 3.750 2.156 1.872 2.542 . 0 0 "[ . 1 . 2]" 1 1521 1 71 LYS H 1 71 LYS HG3 . . 4.580 2.981 2.130 3.482 . 0 0 "[ . 1 . 2]" 1 1522 1 71 LYS H 1 72 ASP H . . 3.280 2.865 2.790 2.914 . 0 0 "[ . 1 . 2]" 1 1523 1 71 LYS H 1 72 ASP HA . . 5.500 5.432 5.374 5.471 . 0 0 "[ . 1 . 2]" 1 1524 1 71 LYS HA 1 71 LYS HG2 . . 4.250 2.699 2.246 3.298 . 0 0 "[ . 1 . 2]" 1 1525 1 71 LYS HA 1 71 LYS QG . . 3.380 2.617 2.213 3.108 . 0 0 "[ . 1 . 2]" 1 1526 1 71 LYS HA 1 71 LYS HG3 . . 4.250 3.608 3.314 3.813 . 0 0 "[ . 1 . 2]" 1 1527 1 71 LYS HA 1 73 VAL H . . 4.850 4.476 4.352 4.633 . 0 0 "[ . 1 . 2]" 1 1528 1 71 LYS HA 1 73 VAL HB . . 5.500 5.594 5.561 5.637 0.137 12 0 "[ . 1 . 2]" 1 1529 1 71 LYS HA 1 74 ALA H . . 4.340 4.340 4.161 4.407 0.067 7 0 "[ . 1 . 2]" 1 1530 1 71 LYS HA 1 74 ALA MB . . 3.840 3.644 3.537 3.718 . 0 0 "[ . 1 . 2]" 1 1531 1 71 LYS HA 1 75 LYS H . . 5.160 4.853 4.503 5.186 0.026 12 0 "[ . 1 . 2]" 1 1532 1 71 LYS HB2 1 72 ASP H . . 3.280 2.489 2.374 2.576 . 0 0 "[ . 1 . 2]" 1 1533 1 71 LYS HB2 1 72 ASP QB . . 4.300 4.050 3.601 4.300 0.000 5 0 "[ . 1 . 2]" 1 1534 1 71 LYS HB3 1 72 ASP H . . 3.980 3.538 3.263 3.713 . 0 0 "[ . 1 . 2]" 1 1535 1 71 LYS QE 1 72 ASP H . . 5.340 4.939 4.353 5.395 0.055 19 0 "[ . 1 . 2]" 1 1536 1 71 LYS QG 1 72 ASP H . . 4.550 3.953 3.734 4.153 . 0 0 "[ . 1 . 2]" 1 1537 1 72 ASP H 1 72 ASP HB2 . . 3.720 2.591 2.201 3.591 . 0 0 "[ . 1 . 2]" 1 1538 1 72 ASP H 1 72 ASP HB3 . . 3.720 3.185 2.364 3.618 . 0 0 "[ . 1 . 2]" 1 1539 1 72 ASP H 1 73 VAL H . . 3.010 2.324 2.308 2.346 . 0 0 "[ . 1 . 2]" 1 1540 1 72 ASP H 1 73 VAL HA . . 5.500 4.963 4.948 4.981 . 0 0 "[ . 1 . 2]" 1 1541 1 72 ASP H 1 73 VAL HB . . 4.760 4.661 4.624 4.694 . 0 0 "[ . 1 . 2]" 1 1542 1 72 ASP H 1 74 ALA H . . 4.660 4.454 4.299 4.565 . 0 0 "[ . 1 . 2]" 1 1543 1 72 ASP H 1 74 ALA MB . . 5.500 5.208 5.096 5.275 . 0 0 "[ . 1 . 2]" 1 1544 1 72 ASP H 1 75 LYS HD2 . . 5.500 4.758 4.701 4.840 . 0 0 "[ . 1 . 2]" 1 1545 1 72 ASP H 1 75 LYS QE . . 5.340 5.359 5.349 5.386 0.046 12 0 "[ . 1 . 2]" 1 1546 1 72 ASP HA 1 74 ALA H . . 5.500 4.866 4.563 5.152 . 0 0 "[ . 1 . 2]" 1 1547 1 72 ASP HA 1 75 LYS H . . 4.660 3.554 3.375 3.752 . 0 0 "[ . 1 . 2]" 1 1548 1 72 ASP HA 1 75 LYS HB3 . . 4.690 2.402 2.148 2.533 . 0 0 "[ . 1 . 2]" 1 1549 1 72 ASP HA 1 75 LYS HD2 . . 3.090 1.983 1.970 1.993 . 0 0 "[ . 1 . 2]" 1 1550 1 72 ASP HA 1 75 LYS QE . . 4.780 2.837 2.794 2.912 . 0 0 "[ . 1 . 2]" 1 1551 1 72 ASP HA 1 75 LYS HG3 . . 5.500 4.559 4.400 4.630 . 0 0 "[ . 1 . 2]" 1 1552 1 72 ASP HA 1 76 VAL H . . 5.500 5.012 4.753 5.160 . 0 0 "[ . 1 . 2]" 1 1553 1 72 ASP HA 1 76 VAL MG2 . . 5.500 4.783 4.247 5.094 . 0 0 "[ . 1 . 2]" 1 1554 1 72 ASP QB 1 73 VAL H . . 3.800 2.970 2.751 3.500 . 0 0 "[ . 1 . 2]" 1 1555 1 72 ASP QB 1 73 VAL MG2 . . 4.450 3.414 3.172 4.034 . 0 0 "[ . 1 . 2]" 1 1556 1 72 ASP QB 1 74 ALA H . . 5.340 5.253 5.018 5.387 0.047 4 0 "[ . 1 . 2]" 1 1557 1 72 ASP QB 1 75 LYS H . . 5.340 4.849 4.602 5.108 . 0 0 "[ . 1 . 2]" 1 1558 1 72 ASP QB 1 75 LYS HB3 . . 5.340 4.271 3.867 4.591 . 0 0 "[ . 1 . 2]" 1 1559 1 72 ASP QB 1 75 LYS HD2 . . 4.060 2.889 2.393 3.665 . 0 0 "[ . 1 . 2]" 1 1560 1 73 VAL H 1 73 VAL HB . . 3.190 2.586 2.553 2.621 . 0 0 "[ . 1 . 2]" 1 1561 1 73 VAL H 1 73 VAL MG2 . . 4.230 2.217 1.924 2.293 . 0 0 "[ . 1 . 2]" 1 1562 1 73 VAL H 1 74 ALA H . . 3.160 2.809 2.677 2.856 . 0 0 "[ . 1 . 2]" 1 1563 1 73 VAL H 1 74 ALA MB . . 5.500 4.363 4.288 4.476 . 0 0 "[ . 1 . 2]" 1 1564 1 73 VAL H 1 75 LYS H . . 4.360 3.753 3.660 3.813 . 0 0 "[ . 1 . 2]" 1 1565 1 73 VAL H 1 75 LYS HB3 . . 4.950 4.544 4.364 4.795 . 0 0 "[ . 1 . 2]" 1 1566 1 73 VAL H 1 75 LYS HD2 . . 5.500 4.846 4.718 5.001 . 0 0 "[ . 1 . 2]" 1 1567 1 73 VAL H 1 76 VAL H . . 5.370 5.148 5.006 5.216 . 0 0 "[ . 1 . 2]" 1 1568 1 73 VAL HA 1 73 VAL MG1 . . 2.780 2.268 2.246 2.292 . 0 0 "[ . 1 . 2]" 1 1569 1 73 VAL HA 1 74 ALA HA . . 5.500 4.789 4.748 4.814 . 0 0 "[ . 1 . 2]" 1 1570 1 73 VAL HA 1 75 LYS H . . 4.170 3.926 3.779 4.016 . 0 0 "[ . 1 . 2]" 1 1571 1 73 VAL HA 1 75 LYS HB3 . . 5.500 5.057 4.962 5.227 . 0 0 "[ . 1 . 2]" 1 1572 1 73 VAL HA 1 75 LYS HG2 . . 5.370 4.476 4.316 4.701 . 0 0 "[ . 1 . 2]" 1 1573 1 73 VAL HA 1 76 VAL H . . 4.260 3.675 3.434 3.738 . 0 0 "[ . 1 . 2]" 1 1574 1 73 VAL HA 1 76 VAL HB . . 5.500 5.028 3.677 5.568 0.068 10 0 "[ . 1 . 2]" 1 1575 1 73 VAL HA 1 76 VAL MG2 . . 4.260 2.521 2.402 2.680 . 0 0 "[ . 1 . 2]" 1 1576 1 73 VAL HB 1 74 ALA H . . 3.310 2.203 2.060 2.385 . 0 0 "[ . 1 . 2]" 1 1577 1 73 VAL HB 1 74 ALA HA . . 5.500 4.145 4.105 4.192 . 0 0 "[ . 1 . 2]" 1 1578 1 73 VAL HB 1 74 ALA MB . . 4.390 3.769 3.715 3.849 . 0 0 "[ . 1 . 2]" 1 1579 1 73 VAL HB 1 75 LYS H . . 5.070 4.493 4.433 4.567 . 0 0 "[ . 1 . 2]" 1 1580 1 73 VAL MG1 1 74 ALA H . . 3.860 3.184 3.065 3.383 . 0 0 "[ . 1 . 2]" 1 1581 1 73 VAL MG1 1 75 LYS H . . 5.500 4.610 4.569 4.649 . 0 0 "[ . 1 . 2]" 1 1582 1 73 VAL MG1 1 76 VAL H . . 5.500 4.402 4.319 4.567 . 0 0 "[ . 1 . 2]" 1 1583 1 74 ALA H 1 74 ALA MB . . 3.230 2.193 2.156 2.208 . 0 0 "[ . 1 . 2]" 1 1584 1 74 ALA H 1 75 LYS H . . 3.430 2.692 2.585 2.760 . 0 0 "[ . 1 . 2]" 1 1585 1 74 ALA H 1 76 VAL H . . 5.500 4.350 4.252 4.411 . 0 0 "[ . 1 . 2]" 1 1586 1 74 ALA HA 1 77 PHE H . . 3.840 3.448 3.196 3.831 . 0 0 "[ . 1 . 2]" 1 1587 1 74 ALA HA 1 77 PHE HB2 . . 4.600 3.680 2.183 4.310 . 0 0 "[ . 1 . 2]" 1 1588 1 74 ALA HA 1 77 PHE QB . . 3.780 2.839 2.093 3.556 . 0 0 "[ . 1 . 2]" 1 1589 1 74 ALA HA 1 77 PHE HB3 . . 4.600 3.276 2.109 4.617 0.017 9 0 "[ . 1 . 2]" 1 1590 1 74 ALA MB 1 75 LYS H . . 3.530 2.955 2.868 3.061 . 0 0 "[ . 1 . 2]" 1 1591 1 74 ALA MB 1 77 PHE H . . 5.500 4.350 4.172 4.667 . 0 0 "[ . 1 . 2]" 1 1592 1 74 ALA MB 1 77 PHE QB . . 5.340 3.989 3.228 4.513 . 0 0 "[ . 1 . 2]" 1 1593 1 75 LYS H 1 75 LYS HB3 . . 2.980 2.110 2.071 2.185 . 0 0 "[ . 1 . 2]" 1 1594 1 75 LYS H 1 75 LYS HD2 . . 4.080 4.022 3.846 4.150 0.070 10 0 "[ . 1 . 2]" 1 1595 1 75 LYS H 1 75 LYS QE . . 5.340 4.527 4.455 4.597 . 0 0 "[ . 1 . 2]" 1 1596 1 75 LYS H 1 75 LYS HG2 . . 4.040 3.220 3.073 3.373 . 0 0 "[ . 1 . 2]" 1 1597 1 75 LYS H 1 76 VAL MG2 . . 4.470 3.732 3.502 3.823 . 0 0 "[ . 1 . 2]" 1 1598 1 75 LYS HA 1 75 LYS HE2 . . 5.500 4.251 4.171 4.403 . 0 0 "[ . 1 . 2]" 1 1599 1 75 LYS HA 1 75 LYS HE3 . . 5.500 5.020 4.890 5.117 . 0 0 "[ . 1 . 2]" 1 1600 1 75 LYS HA 1 75 LYS HG2 . . 3.680 3.674 3.646 3.697 0.017 7 0 "[ . 1 . 2]" 1 1601 1 75 LYS HA 1 75 LYS HG3 . . 3.780 3.467 3.403 3.545 . 0 0 "[ . 1 . 2]" 1 1602 1 75 LYS HA 1 76 VAL MG2 . . 5.500 4.856 4.599 4.989 . 0 0 "[ . 1 . 2]" 1 1603 1 75 LYS HB2 1 75 LYS QE . . 4.450 2.042 1.961 2.156 . 0 0 "[ . 1 . 2]" 1 1604 1 75 LYS HB2 1 75 LYS HG3 . . 2.550 2.368 2.341 2.390 . 0 0 "[ . 1 . 2]" 1 1605 1 75 LYS HB2 1 77 PHE H . . 5.500 5.516 5.294 5.573 0.073 15 0 "[ . 1 . 2]" 1 1606 1 75 LYS HB3 1 75 LYS HD2 . . 2.550 2.445 2.411 2.485 . 0 0 "[ . 1 . 2]" 1 1607 1 75 LYS HB3 1 75 LYS QE . . 4.980 2.702 2.580 2.774 . 0 0 "[ . 1 . 2]" 1 1608 1 75 LYS HB3 1 75 LYS HG2 . . 2.600 2.524 2.499 2.557 . 0 0 "[ . 1 . 2]" 1 1609 1 75 LYS HB3 1 76 VAL H . . 3.720 3.533 3.440 3.637 . 0 0 "[ . 1 . 2]" 1 1610 1 75 LYS HB3 1 77 PHE H . . 5.500 5.316 5.198 5.456 . 0 0 "[ . 1 . 2]" 1 1611 1 75 LYS HD2 1 76 VAL MG2 . . 5.500 4.072 3.452 4.700 . 0 0 "[ . 1 . 2]" 1 1612 1 75 LYS HD3 1 76 VAL MG2 . . 5.500 4.033 3.263 4.855 . 0 0 "[ . 1 . 2]" 1 1613 1 75 LYS HG2 1 76 VAL H . . 3.380 2.395 2.335 2.480 . 0 0 "[ . 1 . 2]" 1 1614 1 75 LYS HG2 1 76 VAL HA . . 4.860 3.507 3.311 3.693 . 0 0 "[ . 1 . 2]" 1 1615 1 75 LYS HG2 1 76 VAL MG1 . . 5.500 2.855 1.985 4.264 . 0 0 "[ . 1 . 2]" 1 1616 1 75 LYS HG2 1 76 VAL MG2 . . 4.800 2.488 1.875 3.123 . 0 0 "[ . 1 . 2]" 1 1617 1 75 LYS HG2 1 77 PHE H . . 5.500 4.611 4.541 4.687 . 0 0 "[ . 1 . 2]" 1 1618 1 75 LYS HG3 1 76 VAL H . . 3.820 3.624 3.513 3.765 . 0 0 "[ . 1 . 2]" 1 1619 1 76 VAL H 1 76 VAL HB . . 3.880 3.350 2.724 3.700 . 0 0 "[ . 1 . 2]" 1 1620 1 76 VAL H 1 76 VAL MG2 . . 2.510 2.053 1.961 2.129 . 0 0 "[ . 1 . 2]" 1 1621 1 76 VAL H 1 77 PHE HA . . 5.500 4.920 4.491 5.123 . 0 0 "[ . 1 . 2]" 1 1622 1 76 VAL H 1 77 PHE QB . . 5.340 4.109 3.773 4.583 . 0 0 "[ . 1 . 2]" 1 1623 1 76 VAL HB 1 77 PHE H . . 4.480 4.001 3.199 4.402 . 0 0 "[ . 1 . 2]" 1 1624 1 77 PHE H 1 77 PHE HB2 . . 3.590 3.108 2.582 3.585 . 0 0 "[ . 1 . 2]" 1 1625 1 77 PHE H 1 77 PHE QB . . 2.920 2.612 2.285 2.954 0.034 14 0 "[ . 1 . 2]" 1 1626 1 77 PHE H 1 77 PHE HB3 . . 3.590 3.129 2.312 3.757 0.167 9 0 "[ . 1 . 2]" 1 1627 1 77 PHE HA 1 77 PHE QD . . 3.720 2.934 2.117 3.617 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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