NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
441533 | 2kax | 16033 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kax 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 2800 _Distance_constraint_stats_list.Viol_count 5523 _Distance_constraint_stats_list.Viol_total 14894.927 _Distance_constraint_stats_list.Viol_max 1.503 _Distance_constraint_stats_list.Viol_rms 0.0341 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0055 _Distance_constraint_stats_list.Viol_average_violations_only 0.0870 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 1.463 0.252 15 0 "[ . 1 . 2 . 3 ]" 1 2 GLU 2.564 0.246 1 0 "[ . 1 . 2 . 3 ]" 1 3 THR 6.029 0.252 15 0 "[ . 1 . 2 . 3 ]" 1 4 PRO 1.419 0.156 18 0 "[ . 1 . 2 . 3 ]" 1 5 LEU 0.822 0.230 17 0 "[ . 1 . 2 . 3 ]" 1 6 GLU 2.022 0.185 2 0 "[ . 1 . 2 . 3 ]" 1 7 LYS 7.311 0.229 12 0 "[ . 1 . 2 . 3 ]" 1 8 ALA 0.923 0.132 5 0 "[ . 1 . 2 . 3 ]" 1 9 LEU 2.542 0.230 17 0 "[ . 1 . 2 . 3 ]" 1 10 THR 2.779 0.202 20 0 "[ . 1 . 2 . 3 ]" 1 11 THR 1.956 0.384 10 0 "[ . 1 . 2 . 3 ]" 1 12 MET 1.705 0.217 1 0 "[ . 1 . 2 . 3 ]" 1 13 VAL 1.009 0.102 30 0 "[ . 1 . 2 . 3 ]" 1 14 THR 0.243 0.109 14 0 "[ . 1 . 2 . 3 ]" 1 15 THR 2.680 0.384 10 0 "[ . 1 . 2 . 3 ]" 1 16 PHE 5.124 0.651 22 1 "[ . 1 . 2 + . 3 ]" 1 17 HIS 1.090 0.137 8 0 "[ . 1 . 2 . 3 ]" 1 18 LYS 0.748 0.160 2 0 "[ . 1 . 2 . 3 ]" 1 19 TYR 6.682 0.332 8 0 "[ . 1 . 2 . 3 ]" 1 20 SER 0.103 0.087 26 0 "[ . 1 . 2 . 3 ]" 1 21 GLY 0.469 0.332 8 0 "[ . 1 . 2 . 3 ]" 1 22 ARG 4.636 0.233 21 0 "[ . 1 . 2 . 3 ]" 1 23 GLU 2.495 0.194 8 0 "[ . 1 . 2 . 3 ]" 1 24 GLY 0.307 0.111 5 0 "[ . 1 . 2 . 3 ]" 1 25 SER 0.548 0.095 26 0 "[ . 1 . 2 . 3 ]" 1 26 LYS 3.254 0.232 23 0 "[ . 1 . 2 . 3 ]" 1 27 LEU 2.007 0.176 24 0 "[ . 1 . 2 . 3 ]" 1 28 THR 2.397 0.176 24 0 "[ . 1 . 2 . 3 ]" 1 29 LEU 3.922 0.222 26 0 "[ . 1 . 2 . 3 ]" 1 30 SER 1.362 0.148 24 0 "[ . 1 . 2 . 3 ]" 1 31 ARG 8.303 0.403 4 0 "[ . 1 . 2 . 3 ]" 1 32 LYS 1.786 0.184 1 0 "[ . 1 . 2 . 3 ]" 1 33 GLU 1.448 0.157 30 0 "[ . 1 . 2 . 3 ]" 1 34 LEU 0.973 0.087 12 0 "[ . 1 . 2 . 3 ]" 1 35 LYS 4.558 0.206 19 0 "[ . 1 . 2 . 3 ]" 1 36 GLU 7.688 0.300 8 0 "[ . 1 . 2 . 3 ]" 1 37 LEU 5.114 0.250 3 0 "[ . 1 . 2 . 3 ]" 1 38 ILE 1.227 0.147 23 0 "[ . 1 . 2 . 3 ]" 1 39 LYS 4.108 0.244 30 0 "[ . 1 . 2 . 3 ]" 1 40 LYS 9.264 0.304 25 0 "[ . 1 . 2 . 3 ]" 1 41 GLU 5.523 0.304 25 0 "[ . 1 . 2 . 3 ]" 1 42 LEU 5.979 0.294 10 0 "[ . 1 . 2 . 3 ]" 1 43 CYS 7.054 0.284 10 0 "[ . 1 . 2 . 3 ]" 1 44 LEU 8.032 0.401 14 0 "[ . 1 . 2 . 3 ]" 1 45 GLY 8.229 0.401 14 0 "[ . 1 . 2 . 3 ]" 1 46 GLU 5.624 0.393 20 0 "[ . 1 . 2 . 3 ]" 1 47 MET 6.996 0.336 25 0 "[ . 1 . 2 . 3 ]" 1 48 LYS 14.777 0.563 1 3 "[+ . 1 * . - . 3 ]" 1 49 GLU 2.207 0.322 21 0 "[ . 1 . 2 . 3 ]" 1 50 SER 2.285 0.260 20 0 "[ . 1 . 2 . 3 ]" 1 51 SER 1.644 0.122 11 0 "[ . 1 . 2 . 3 ]" 1 52 ILE 1.144 0.209 12 0 "[ . 1 . 2 . 3 ]" 1 53 ASP 1.198 0.171 3 0 "[ . 1 . 2 . 3 ]" 1 54 ASP 2.145 0.122 11 0 "[ . 1 . 2 . 3 ]" 1 55 LEU 3.631 0.222 20 0 "[ . 1 . 2 . 3 ]" 1 56 MET 4.675 0.222 20 0 "[ . 1 . 2 . 3 ]" 1 57 LYS 4.705 0.336 15 0 "[ . 1 . 2 . 3 ]" 1 58 SER 4.178 0.336 15 0 "[ . 1 . 2 . 3 ]" 1 59 LEU 6.493 0.418 16 0 "[ . 1 . 2 . 3 ]" 1 60 ASP 4.582 0.418 16 0 "[ . 1 . 2 . 3 ]" 1 61 LYS 5.207 0.394 6 0 "[ . 1 . 2 . 3 ]" 1 62 ASN 2.243 0.228 22 0 "[ . 1 . 2 . 3 ]" 1 63 SER 5.523 0.300 14 0 "[ . 1 . 2 . 3 ]" 1 64 ASP 3.012 0.446 16 0 "[ . 1 . 2 . 3 ]" 1 65 GLN 9.669 0.446 16 0 "[ . 1 . 2 . 3 ]" 1 66 GLU 5.968 0.222 26 0 "[ . 1 . 2 . 3 ]" 1 67 ILE 2.572 0.121 12 0 "[ . 1 . 2 . 3 ]" 1 68 ASP 1.217 0.208 3 0 "[ . 1 . 2 . 3 ]" 1 69 PHE 0.196 0.057 30 0 "[ . 1 . 2 . 3 ]" 1 70 LYS 14.152 0.300 27 0 "[ . 1 . 2 . 3 ]" 1 71 GLU 11.289 0.316 15 0 "[ . 1 . 2 . 3 ]" 1 72 TYR 11.819 0.651 22 1 "[ . 1 . 2 + . 3 ]" 1 73 SER 5.185 0.187 28 0 "[ . 1 . 2 . 3 ]" 1 74 VAL 0.891 0.062 2 0 "[ . 1 . 2 . 3 ]" 1 75 PHE 6.179 0.155 20 0 "[ . 1 . 2 . 3 ]" 1 76 LEU 36.201 0.825 29 30 [-***************************+3*] 1 77 THR 40.773 0.825 29 30 [-***************************+3*] 1 78 MET 3.517 0.276 9 0 "[ . 1 . 2 . 3 ]" 1 79 LEU 4.862 0.276 9 0 "[ . 1 . 2 . 3 ]" 1 80 CYS 0.101 0.052 1 0 "[ . 1 . 2 . 3 ]" 1 81 MET 3.926 0.213 8 0 "[ . 1 . 2 . 3 ]" 1 82 ALA 2.813 0.126 26 0 "[ . 1 . 2 . 3 ]" 1 83 TYR 6.116 0.174 12 0 "[ . 1 . 2 . 3 ]" 1 84 ASN 4.220 0.267 13 0 "[ . 1 . 2 . 3 ]" 1 85 ASP 4.938 0.267 13 0 "[ . 1 . 2 . 3 ]" 1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 1 87 PHE 0.823 0.109 27 0 "[ . 1 . 2 . 3 ]" 1 88 LEU 5.495 0.319 28 0 "[ . 1 . 2 . 3 ]" 1 89 GLU 5.807 0.319 28 0 "[ . 1 . 2 . 3 ]" 1 90 ASP 7.265 0.310 25 0 "[ . 1 . 2 . 3 ]" 1 91 ASN 0.242 0.106 23 0 "[ . 1 . 2 . 3 ]" 1 92 LYS 2.487 0.327 13 0 "[ . 1 . 2 . 3 ]" 2 1 MET 2.797 0.323 1 0 "[ . 1 . 2 . 3 ]" 2 2 GLU 3.475 0.256 19 0 "[ . 1 . 2 . 3 ]" 2 3 THR 6.690 0.315 28 0 "[ . 1 . 2 . 3 ]" 2 4 PRO 1.106 0.102 12 0 "[ . 1 . 2 . 3 ]" 2 5 LEU 0.610 0.129 31 0 "[ . 1 . 2 . 3 ]" 2 6 GLU 1.964 0.214 4 0 "[ . 1 . 2 . 3 ]" 2 7 LYS 6.168 0.256 22 0 "[ . 1 . 2 . 3 ]" 2 8 ALA 1.463 0.251 6 0 "[ . 1 . 2 . 3 ]" 2 9 LEU 1.591 0.129 31 0 "[ . 1 . 2 . 3 ]" 2 10 THR 3.321 0.256 22 0 "[ . 1 . 2 . 3 ]" 2 11 THR 3.216 0.251 6 0 "[ . 1 . 2 . 3 ]" 2 12 MET 2.637 0.615 13 1 "[ . 1 + . 2 . 3 ]" 2 13 VAL 1.216 0.108 27 0 "[ . 1 . 2 . 3 ]" 2 14 THR 0.602 0.158 10 0 "[ . 1 . 2 . 3 ]" 2 15 THR 4.833 1.192 18 3 "[ . * . + 2 .- 3 ]" 2 16 PHE 5.475 1.503 18 1 "[ . 1 . + 2 . 3 ]" 2 17 HIS 0.689 0.143 15 0 "[ . 1 . 2 . 3 ]" 2 18 LYS 1.482 0.244 8 0 "[ . 1 . 2 . 3 ]" 2 19 TYR 7.152 0.179 25 0 "[ . 1 . 2 . 3 ]" 2 20 SER 0.244 0.122 18 0 "[ . 1 . 2 . 3 ]" 2 21 GLY 0.151 0.151 15 0 "[ . 1 . 2 . 3 ]" 2 22 ARG 6.329 0.381 8 0 "[ . 1 . 2 . 3 ]" 2 23 GLU 3.241 0.215 30 0 "[ . 1 . 2 . 3 ]" 2 24 GLY 0.646 0.130 15 0 "[ . 1 . 2 . 3 ]" 2 25 SER 0.430 0.200 18 0 "[ . 1 . 2 . 3 ]" 2 26 LYS 0.949 0.118 28 0 "[ . 1 . 2 . 3 ]" 2 27 LEU 2.483 0.319 2 0 "[ . 1 . 2 . 3 ]" 2 28 THR 2.550 0.319 2 0 "[ . 1 . 2 . 3 ]" 2 29 LEU 2.926 0.231 9 0 "[ . 1 . 2 . 3 ]" 2 30 SER 1.997 0.195 21 0 "[ . 1 . 2 . 3 ]" 2 31 ARG 7.734 0.425 25 0 "[ . 1 . 2 . 3 ]" 2 32 LYS 2.245 0.163 9 0 "[ . 1 . 2 . 3 ]" 2 33 GLU 0.855 0.149 16 0 "[ . 1 . 2 . 3 ]" 2 34 LEU 0.963 0.170 25 0 "[ . 1 . 2 . 3 ]" 2 35 LYS 4.135 0.245 21 0 "[ . 1 . 2 . 3 ]" 2 36 GLU 7.445 0.253 25 0 "[ . 1 . 2 . 3 ]" 2 37 LEU 6.043 0.193 13 0 "[ . 1 . 2 . 3 ]" 2 38 ILE 1.901 0.115 6 0 "[ . 1 . 2 . 3 ]" 2 39 LYS 4.409 0.217 31 0 "[ . 1 . 2 . 3 ]" 2 40 LYS 8.565 0.253 25 0 "[ . 1 . 2 . 3 ]" 2 41 GLU 4.577 0.210 6 0 "[ . 1 . 2 . 3 ]" 2 42 LEU 4.647 0.253 21 0 "[ . 1 . 2 . 3 ]" 2 43 CYS 5.760 0.263 21 0 "[ . 1 . 2 . 3 ]" 2 44 LEU 7.049 0.292 4 0 "[ . 1 . 2 . 3 ]" 2 45 GLY 5.931 0.325 23 0 "[ . 1 . 2 . 3 ]" 2 46 GLU 3.554 0.325 23 0 "[ . 1 . 2 . 3 ]" 2 47 MET 5.825 0.235 17 0 "[ . 1 . 2 . 3 ]" 2 48 LYS 16.680 0.687 18 2 "[ . 1 . + 2- . 3 ]" 2 49 GLU 6.197 0.687 18 1 "[ . 1 . + 2 . 3 ]" 2 50 SER 3.601 0.253 23 0 "[ . 1 . 2 . 3 ]" 2 51 SER 2.369 0.187 25 0 "[ . 1 . 2 . 3 ]" 2 52 ILE 0.832 0.160 19 0 "[ . 1 . 2 . 3 ]" 2 53 ASP 1.730 0.227 11 0 "[ . 1 . 2 . 3 ]" 2 54 ASP 2.756 0.187 25 0 "[ . 1 . 2 . 3 ]" 2 55 LEU 1.734 0.122 22 0 "[ . 1 . 2 . 3 ]" 2 56 MET 3.510 0.175 29 0 "[ . 1 . 2 . 3 ]" 2 57 LYS 4.451 0.306 9 0 "[ . 1 . 2 . 3 ]" 2 58 SER 4.114 0.306 9 0 "[ . 1 . 2 . 3 ]" 2 59 LEU 4.947 0.346 9 0 "[ . 1 . 2 . 3 ]" 2 60 ASP 3.693 0.346 9 0 "[ . 1 . 2 . 3 ]" 2 61 LYS 4.747 0.314 28 0 "[ . 1 . 2 . 3 ]" 2 62 ASN 2.934 0.220 3 0 "[ . 1 . 2 . 3 ]" 2 63 SER 5.532 0.310 29 0 "[ . 1 . 2 . 3 ]" 2 64 ASP 5.354 0.383 26 0 "[ . 1 . 2 . 3 ]" 2 65 GLN 11.794 0.425 25 0 "[ . 1 . 2 . 3 ]" 2 66 GLU 5.449 0.231 9 0 "[ . 1 . 2 . 3 ]" 2 67 ILE 2.423 0.163 7 0 "[ . 1 . 2 . 3 ]" 2 68 ASP 0.880 0.255 19 0 "[ . 1 . 2 . 3 ]" 2 69 PHE 0.308 0.083 7 0 "[ . 1 . 2 . 3 ]" 2 70 LYS 13.596 0.311 6 0 "[ . 1 . 2 . 3 ]" 2 71 GLU 10.776 0.311 6 0 "[ . 1 . 2 . 3 ]" 2 72 TYR 14.872 1.503 18 4 "[ . * * . + 2 .- 3 ]" 2 73 SER 4.509 0.166 12 0 "[ . 1 . 2 . 3 ]" 2 74 VAL 0.813 0.051 24 0 "[ . 1 . 2 . 3 ]" 2 75 PHE 5.904 0.170 25 0 "[ . 1 . 2 . 3 ]" 2 76 LEU 36.799 0.858 15 28 "[****** ******-+***** * ********]" 2 77 THR 41.343 0.858 15 28 "[****** ******-+***** * ********]" 2 78 MET 3.071 0.129 23 0 "[ . 1 . 2 . 3 ]" 2 79 LEU 3.390 0.117 20 0 "[ . 1 . 2 . 3 ]" 2 80 CYS 0.053 0.051 2 0 "[ . 1 . 2 . 3 ]" 2 81 MET 4.793 0.222 14 0 "[ . 1 . 2 . 3 ]" 2 82 ALA 2.643 0.150 14 0 "[ . 1 . 2 . 3 ]" 2 83 TYR 4.774 0.186 15 0 "[ . 1 . 2 . 3 ]" 2 84 ASN 2.812 0.215 15 0 "[ . 1 . 2 . 3 ]" 2 85 ASP 4.261 0.215 15 0 "[ . 1 . 2 . 3 ]" 2 86 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 2 87 PHE 1.308 0.120 17 0 "[ . 1 . 2 . 3 ]" 2 88 LEU 7.176 0.369 15 0 "[ . 1 . 2 . 3 ]" 2 89 GLU 4.468 0.369 15 0 "[ . 1 . 2 . 3 ]" 2 90 ASP 5.639 0.354 31 0 "[ . 1 . 2 . 3 ]" 2 91 ASN 0.104 0.089 7 0 "[ . 1 . 2 . 3 ]" 2 92 LYS 2.463 0.229 13 0 "[ . 1 . 2 . 3 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 MET HA 1 1 MET ME . . 4.780 4.192 3.209 4.806 0.026 17 0 "[ . 1 . 2 . 3 ]" 1 2 1 1 MET QB 1 3 THR H . . 4.270 4.169 2.633 4.522 0.252 15 0 "[ . 1 . 2 . 3 ]" 1 3 1 2 GLU HA 1 2 GLU QG . . 3.610 2.825 2.161 3.640 0.030 14 0 "[ . 1 . 2 . 3 ]" 1 4 1 2 GLU HA 1 3 THR MG . . 4.950 4.138 3.083 4.988 0.038 17 0 "[ . 1 . 2 . 3 ]" 1 5 1 2 GLU HA 1 6 GLU QB . . 6.060 4.762 2.860 6.154 0.094 16 0 "[ . 1 . 2 . 3 ]" 1 6 1 2 GLU QB 1 3 THR H . . 3.980 3.235 1.941 4.080 0.100 13 0 "[ . 1 . 2 . 3 ]" 1 7 1 2 GLU HB2 1 3 THR H . . 4.520 3.687 1.968 4.665 0.145 13 0 "[ . 1 . 2 . 3 ]" 1 8 1 2 GLU HB3 1 3 THR H . . 4.520 3.859 2.067 4.532 0.012 3 0 "[ . 1 . 2 . 3 ]" 1 9 1 2 GLU QG 1 3 THR H . . 4.360 3.913 2.377 4.606 0.246 1 0 "[ . 1 . 2 . 3 ]" 1 10 1 3 THR H 1 3 THR MG . . 4.040 2.424 1.785 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 11 1 3 THR H 1 4 PRO HD2 . . 5.220 4.933 4.740 5.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 12 1 3 THR H 1 4 PRO HD3 . . 5.220 5.118 4.644 5.340 0.120 28 0 "[ . 1 . 2 . 3 ]" 1 13 1 3 THR H 1 6 GLU H . . 4.980 4.207 3.451 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 14 1 3 THR H 1 6 GLU HB2 . . 4.720 3.832 2.807 4.869 0.149 2 0 "[ . 1 . 2 . 3 ]" 1 15 1 3 THR H 1 6 GLU QB . . 4.110 2.896 1.837 4.295 0.185 2 0 "[ . 1 . 2 . 3 ]" 1 16 1 3 THR H 1 6 GLU HB3 . . 4.720 3.111 1.847 4.777 0.057 2 0 "[ . 1 . 2 . 3 ]" 1 17 1 3 THR H 1 6 GLU HG2 . . 5.220 3.963 2.024 5.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 18 1 3 THR H 1 6 GLU QG . . 4.360 3.520 1.981 4.485 0.125 1 0 "[ . 1 . 2 . 3 ]" 1 19 1 3 THR H 1 6 GLU HG3 . . 5.220 4.188 2.149 5.345 0.125 25 0 "[ . 1 . 2 . 3 ]" 1 20 1 3 THR H 1 7 LYS H . . 5.220 4.785 3.736 5.335 0.115 25 0 "[ . 1 . 2 . 3 ]" 1 21 1 3 THR H 2 42 LEU QD . . 5.170 4.418 2.650 5.220 0.050 11 0 "[ . 1 . 2 . 3 ]" 1 22 1 3 THR HA 1 5 LEU H . . 5.170 4.635 4.073 5.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 23 1 3 THR HB 1 4 PRO HD2 . . 4.670 2.107 1.813 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 24 1 3 THR HB 1 4 PRO HD3 . . 4.670 3.313 2.468 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 25 1 3 THR HB 1 4 PRO QG . . 5.080 3.931 3.243 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 26 1 3 THR HB 1 5 LEU H . . 4.840 3.643 2.669 4.282 . 0 0 "[ . 1 . 2 . 3 ]" 1 27 1 3 THR HG1 1 6 GLU H . . 6.270 2.924 2.149 5.005 . 0 0 "[ . 1 . 2 . 3 ]" 1 28 1 3 THR HG1 2 42 LEU QD . . 6.180 2.914 1.831 4.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 29 1 3 THR MG 1 4 PRO QD . . 4.230 3.447 2.194 3.932 . 0 0 "[ . 1 . 2 . 3 ]" 1 30 1 3 THR MG 1 5 LEU H . . 5.220 4.719 4.140 5.310 0.090 2 0 "[ . 1 . 2 . 3 ]" 1 31 1 3 THR MG 1 6 GLU H . . 5.220 4.176 3.384 5.324 0.104 2 0 "[ . 1 . 2 . 3 ]" 1 32 1 3 THR MG 2 43 CYS H . . 5.610 2.540 1.557 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 33 1 3 THR MG 2 43 CYS HB2 . . 4.630 3.484 2.166 4.667 0.037 16 0 "[ . 1 . 2 . 3 ]" 1 34 1 3 THR MG 2 43 CYS QB . . 3.980 2.939 2.084 4.003 0.023 28 0 "[ . 1 . 2 . 3 ]" 1 35 1 3 THR MG 2 43 CYS HB3 . . 4.630 3.469 2.097 4.751 0.121 20 0 "[ . 1 . 2 . 3 ]" 1 36 1 4 PRO HA 1 7 LYS H . . 5.170 3.410 2.798 3.864 . 0 0 "[ . 1 . 2 . 3 ]" 1 37 1 4 PRO HA 1 7 LYS QD . . 4.280 4.160 2.923 4.436 0.156 18 0 "[ . 1 . 2 . 3 ]" 1 38 1 4 PRO HA 2 11 THR MG . . 5.220 3.965 2.994 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 39 1 4 PRO QB 1 5 LEU H . . 4.050 3.287 3.035 3.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 40 1 4 PRO HB2 2 11 THR MG . . 5.220 2.867 2.098 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1 41 1 4 PRO HB3 2 11 THR MG . . 5.220 4.165 3.208 5.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 42 1 4 PRO QD 1 5 LEU H . . 4.820 2.832 2.300 3.448 . 0 0 "[ . 1 . 2 . 3 ]" 1 43 1 4 PRO QG 1 5 LEU H . . 4.870 2.412 2.112 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1 44 1 5 LEU H 1 5 LEU MD1 . . 5.080 4.182 3.907 4.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 45 1 5 LEU H 1 5 LEU QD . . 4.470 3.753 3.661 3.888 . 0 0 "[ . 1 . 2 . 3 ]" 1 46 1 5 LEU H 1 5 LEU MD2 . . 5.080 4.259 4.076 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 47 1 5 LEU H 1 5 LEU HG . . 4.810 4.478 4.273 4.719 . 0 0 "[ . 1 . 2 . 3 ]" 1 48 1 5 LEU H 1 6 GLU H . . 4.400 2.750 2.578 3.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 49 1 5 LEU H 1 7 LYS H . . 5.220 4.112 3.760 4.340 . 0 0 "[ . 1 . 2 . 3 ]" 1 50 1 5 LEU H 2 15 THR HG1 . . 6.270 4.962 3.587 5.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 51 1 5 LEU HA 1 5 LEU QD . . 4.050 2.276 1.949 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 52 1 5 LEU HA 1 5 LEU HG . . 4.000 3.025 2.088 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1 53 1 5 LEU QB 1 6 GLU H . . 4.390 2.770 2.467 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 54 1 5 LEU QB 2 15 THR MG . . 5.080 2.599 2.116 3.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 55 1 5 LEU HB2 1 6 GLU H . . 5.220 4.043 3.847 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 56 1 5 LEU HB3 1 6 GLU H . . 5.220 2.823 2.497 3.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 57 1 5 LEU QD 1 8 ALA MB . . 5.710 2.450 1.801 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 58 1 5 LEU QD 2 12 MET H . . 6.180 3.975 3.016 5.550 . 0 0 "[ . 1 . 2 . 3 ]" 1 59 1 5 LEU QD 2 12 MET HA . . 4.240 2.497 1.939 3.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 60 1 5 LEU QD 2 12 MET QB . . 5.960 3.523 2.613 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 61 1 5 LEU QD 2 12 MET ME . . 5.170 2.906 2.223 3.407 . 0 0 "[ . 1 . 2 . 3 ]" 1 62 1 5 LEU QD 2 12 MET QG . . 4.600 2.286 1.922 3.337 . 0 0 "[ . 1 . 2 . 3 ]" 1 63 1 5 LEU QD 2 15 THR H . . 6.180 4.347 3.602 5.340 . 0 0 "[ . 1 . 2 . 3 ]" 1 64 1 5 LEU QD 2 15 THR HB . . 5.170 3.084 2.061 5.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 65 1 5 LEU QD 2 15 THR HG1 . . 6.180 2.215 1.598 3.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 66 1 5 LEU QD 2 72 TYR HH . . 6.180 2.485 1.696 4.498 . 0 0 "[ . 1 . 2 . 3 ]" 1 67 1 5 LEU QD 2 76 LEU QD . . 4.600 1.941 1.579 2.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 68 1 5 LEU MD1 2 15 THR MG . . 5.220 3.300 2.171 5.235 0.015 8 0 "[ . 1 . 2 . 3 ]" 1 69 1 5 LEU MD2 2 15 THR MG . . 5.220 3.510 1.925 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 1 70 1 5 LEU HG 1 6 GLU H . . 5.220 4.266 3.477 5.233 0.013 17 0 "[ . 1 . 2 . 3 ]" 1 71 1 5 LEU HG 1 9 LEU H . . 5.220 4.620 3.420 5.450 0.230 17 0 "[ . 1 . 2 . 3 ]" 1 72 1 6 GLU H 1 6 GLU QG . . 4.460 3.627 2.025 4.075 . 0 0 "[ . 1 . 2 . 3 ]" 1 73 1 6 GLU H 1 7 LYS H . . 4.180 2.898 2.727 3.070 . 0 0 "[ . 1 . 2 . 3 ]" 1 74 1 6 GLU H 1 8 ALA H . . 5.220 4.315 4.141 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 75 1 6 GLU H 2 42 LEU QD . . 4.410 3.263 2.162 4.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 76 1 6 GLU HA 1 8 ALA H . . 4.960 4.172 3.872 4.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 77 1 6 GLU HA 1 9 LEU H . . 5.130 3.343 2.792 3.935 . 0 0 "[ . 1 . 2 . 3 ]" 1 78 1 6 GLU HA 1 9 LEU QD . . 5.350 3.232 2.242 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1 79 1 6 GLU HA 1 9 LEU HG . . 4.550 4.217 3.523 4.609 0.059 17 0 "[ . 1 . 2 . 3 ]" 1 80 1 6 GLU HA 2 42 LEU MD1 . . 5.220 3.188 2.071 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 81 1 6 GLU HA 2 42 LEU QD . . 4.090 2.920 2.067 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 82 1 6 GLU HA 2 42 LEU MD2 . . 5.220 3.934 2.577 5.233 0.013 31 0 "[ . 1 . 2 . 3 ]" 1 83 1 6 GLU QB 1 7 LYS H . . 3.710 2.955 2.425 3.729 0.019 20 0 "[ . 1 . 2 . 3 ]" 1 84 1 6 GLU QB 2 42 LEU QD . . 5.030 2.431 1.881 3.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 85 1 6 GLU HB2 1 7 LYS H . . 4.270 4.025 2.470 4.322 0.052 9 0 "[ . 1 . 2 . 3 ]" 1 86 1 6 GLU HB3 1 7 LYS H . . 4.270 3.152 2.524 4.297 0.027 2 0 "[ . 1 . 2 . 3 ]" 1 87 1 6 GLU QG 1 7 LYS H . . 4.010 3.651 2.361 4.115 0.105 3 0 "[ . 1 . 2 . 3 ]" 1 88 1 6 GLU QG 2 42 LEU QD . . 4.310 3.120 1.859 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1 89 1 6 GLU HG2 2 42 LEU MD1 . . 5.940 4.478 2.070 5.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 90 1 6 GLU HG2 2 42 LEU MD2 . . 5.940 4.205 2.291 5.972 0.032 26 0 "[ . 1 . 2 . 3 ]" 1 91 1 6 GLU HG3 2 42 LEU MD1 . . 5.940 4.431 2.312 5.918 . 0 0 "[ . 1 . 2 . 3 ]" 1 92 1 6 GLU HG3 2 42 LEU MD2 . . 5.940 4.281 2.170 5.981 0.041 24 0 "[ . 1 . 2 . 3 ]" 1 93 1 7 LYS H 1 7 LYS QB . . 3.610 2.482 1.860 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1 94 1 7 LYS H 1 7 LYS QD . . 4.300 3.130 2.430 4.449 0.149 4 0 "[ . 1 . 2 . 3 ]" 1 95 1 7 LYS H 1 7 LYS QG . . 4.270 2.706 1.976 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 96 1 7 LYS H 1 8 ALA H . . 4.170 2.707 2.287 3.003 . 0 0 "[ . 1 . 2 . 3 ]" 1 97 1 7 LYS H 1 8 ALA MB . . 6.270 4.350 3.897 4.655 . 0 0 "[ . 1 . 2 . 3 ]" 1 98 1 7 LYS H 2 11 THR MG . . 4.370 4.271 3.116 4.595 0.225 26 0 "[ . 1 . 2 . 3 ]" 1 99 1 7 LYS HA 1 7 LYS QD . . 3.830 2.652 1.969 3.843 0.013 26 0 "[ . 1 . 2 . 3 ]" 1 100 1 7 LYS HA 1 7 LYS QE . . 4.280 3.660 1.781 4.509 0.229 12 0 "[ . 1 . 2 . 3 ]" 1 101 1 7 LYS HA 1 7 LYS QG . . 3.570 3.042 2.188 3.569 . 0 0 "[ . 1 . 2 . 3 ]" 1 102 1 7 LYS HA 1 10 THR H . . 5.050 3.325 2.356 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 103 1 7 LYS QB 1 7 LYS QE . . 3.480 2.898 1.866 3.651 0.171 9 0 "[ . 1 . 2 . 3 ]" 1 104 1 7 LYS QB 1 10 THR HB . . 5.080 4.026 3.149 5.282 0.202 20 0 "[ . 1 . 2 . 3 ]" 1 105 1 7 LYS HB2 1 7 LYS QE . . 4.250 3.603 2.000 4.319 0.069 22 0 "[ . 1 . 2 . 3 ]" 1 106 1 7 LYS HB2 1 8 ALA H . . 4.270 3.450 2.885 4.362 0.092 13 0 "[ . 1 . 2 . 3 ]" 1 107 1 7 LYS HB3 1 7 LYS QE . . 4.250 3.361 1.875 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1 108 1 7 LYS HB3 1 8 ALA H . . 4.270 3.916 3.042 4.359 0.089 26 0 "[ . 1 . 2 . 3 ]" 1 109 1 7 LYS QD 1 7 LYS QE . . 2.280 2.066 1.968 2.119 . 0 0 "[ . 1 . 2 . 3 ]" 1 110 1 7 LYS QD 1 10 THR H . . 5.080 5.002 4.289 5.228 0.148 6 0 "[ . 1 . 2 . 3 ]" 1 111 1 8 ALA H 1 8 ALA MB . . 3.530 2.217 2.173 2.283 . 0 0 "[ . 1 . 2 . 3 ]" 1 112 1 8 ALA H 1 10 THR H . . 5.220 4.147 3.233 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1 113 1 8 ALA H 1 11 THR H . . 4.770 4.627 4.155 4.902 0.132 5 0 "[ . 1 . 2 . 3 ]" 1 114 1 8 ALA H 2 11 THR HB . . 5.220 4.286 3.554 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 115 1 8 ALA H 2 11 THR MG . . 5.220 3.108 2.175 3.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 116 1 8 ALA HA 1 11 THR H . . 4.270 3.469 2.669 3.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 117 1 8 ALA HA 1 11 THR HB . . 4.230 2.905 2.392 4.316 0.086 11 0 "[ . 1 . 2 . 3 ]" 1 118 1 8 ALA HA 1 11 THR MG . . 4.840 4.098 3.716 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1 119 1 8 ALA MB 1 9 LEU H . . 4.340 2.422 2.256 2.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 120 1 8 ALA MB 1 9 LEU QD . . 5.170 2.671 2.245 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1 121 1 8 ALA MB 2 11 THR H . . 4.590 4.032 3.648 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 122 1 8 ALA MB 2 11 THR HB . . 4.870 2.091 1.876 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 123 1 8 ALA MB 2 11 THR MG . . 4.750 2.376 2.076 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 124 1 8 ALA MB 2 12 MET H . . 4.660 3.325 2.910 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 125 1 8 ALA MB 2 12 MET HG2 . . 5.220 3.525 2.595 5.270 0.050 28 0 "[ . 1 . 2 . 3 ]" 1 126 1 8 ALA MB 2 12 MET HG3 . . 5.220 2.664 1.976 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1 127 1 9 LEU H 1 9 LEU MD1 . . 4.700 3.806 3.205 4.222 . 0 0 "[ . 1 . 2 . 3 ]" 1 128 1 9 LEU H 1 9 LEU QD . . 4.110 2.246 1.811 3.046 . 0 0 "[ . 1 . 2 . 3 ]" 1 129 1 9 LEU H 1 9 LEU MD2 . . 4.700 2.264 1.821 3.125 . 0 0 "[ . 1 . 2 . 3 ]" 1 130 1 9 LEU H 1 9 LEU HG . . 4.180 3.950 3.780 4.280 0.100 5 0 "[ . 1 . 2 . 3 ]" 1 131 1 9 LEU H 1 10 THR H . . 4.320 2.859 2.747 3.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 132 1 9 LEU H 1 11 THR H . . 4.860 4.289 3.968 4.566 . 0 0 "[ . 1 . 2 . 3 ]" 1 133 1 9 LEU H 1 12 MET H . . 5.220 4.719 4.602 4.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 134 1 9 LEU HA 1 9 LEU QD . . 4.000 1.972 1.870 2.080 . 0 0 "[ . 1 . 2 . 3 ]" 1 135 1 9 LEU HA 1 12 MET H . . 4.410 3.290 3.122 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 136 1 9 LEU HA 2 12 MET ME . . 4.270 4.052 3.375 4.362 0.092 20 0 "[ . 1 . 2 . 3 ]" 1 137 1 9 LEU QB 1 10 THR H . . 5.030 2.654 2.351 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1 138 1 9 LEU QD 1 11 THR H . . 5.170 5.109 4.930 5.213 0.043 20 0 "[ . 1 . 2 . 3 ]" 1 139 1 9 LEU QD 1 12 MET H . . 4.650 4.336 3.954 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 140 1 9 LEU QD 2 12 MET ME . . 4.240 2.128 1.649 2.443 . 0 0 "[ . 1 . 2 . 3 ]" 1 141 1 9 LEU QD 2 12 MET QG . . 5.030 3.437 2.323 4.020 . 0 0 "[ . 1 . 2 . 3 ]" 1 142 1 9 LEU QD 2 72 TYR HH . . 6.180 5.431 4.136 6.273 0.093 13 0 "[ . 1 . 2 . 3 ]" 1 143 1 9 LEU QD 2 76 LEU H . . 4.990 4.835 4.464 5.053 0.063 22 0 "[ . 1 . 2 . 3 ]" 1 144 1 9 LEU QD 2 76 LEU QB . . 4.600 2.188 1.971 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 145 1 9 LEU QD 2 76 LEU QD . . 4.920 2.221 1.855 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 1 146 1 9 LEU MD1 1 10 THR H . . 5.220 4.739 4.276 4.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 147 1 9 LEU MD2 1 10 THR H . . 5.220 4.289 3.950 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 148 1 9 LEU HG 1 10 THR H . . 5.220 5.116 4.774 5.303 0.083 2 0 "[ . 1 . 2 . 3 ]" 1 149 1 9 LEU HG 2 76 LEU QB . . 3.610 3.470 2.624 3.658 0.048 16 0 "[ . 1 . 2 . 3 ]" 1 150 1 10 THR H 1 11 THR H . . 3.600 2.939 2.688 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 151 1 10 THR HA 1 12 MET H . . 5.220 4.602 4.030 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 152 1 10 THR HA 1 13 VAL H . . 5.220 3.616 3.427 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 153 1 10 THR HA 1 13 VAL HB . . 4.970 4.996 4.894 5.072 0.102 30 0 "[ . 1 . 2 . 3 ]" 1 154 1 10 THR HA 1 13 VAL QG . . 5.170 2.009 1.903 2.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 155 1 10 THR HB 1 11 THR H . . 3.920 2.639 2.232 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 156 1 10 THR MG 1 11 THR H . . 4.610 3.432 2.942 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1 157 1 10 THR MG 1 12 MET H . . 5.220 5.191 4.984 5.298 0.078 20 0 "[ . 1 . 2 . 3 ]" 1 158 1 11 THR H 1 11 THR HB . . 3.920 2.587 2.360 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1 159 1 11 THR H 1 11 THR MG . . 4.610 3.724 2.828 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 160 1 11 THR H 1 12 MET H . . 4.270 2.798 2.627 2.920 . 0 0 "[ . 1 . 2 . 3 ]" 1 161 1 11 THR H 2 8 ALA MB . . 4.590 4.123 3.736 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1 162 1 11 THR HA 1 14 THR H . . 4.320 3.616 3.219 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1 163 1 11 THR HA 1 14 THR HB . . 4.600 2.841 2.238 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 164 1 11 THR HA 1 14 THR MG . . 4.900 3.902 2.249 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 165 1 11 THR HA 1 15 THR HG1 . . 5.650 5.193 4.088 6.034 0.384 10 0 "[ . 1 . 2 . 3 ]" 1 166 1 11 THR HB 1 12 MET H . . 4.430 2.673 2.393 3.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 167 1 11 THR HB 2 8 ALA H . . 5.220 4.159 3.368 4.794 . 0 0 "[ . 1 . 2 . 3 ]" 1 168 1 11 THR HB 2 8 ALA MB . . 4.870 2.195 1.854 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 169 1 11 THR MG 1 12 MET H . . 4.870 3.557 3.289 4.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 170 1 11 THR MG 1 14 THR H . . 5.220 4.932 4.612 5.234 0.014 12 0 "[ . 1 . 2 . 3 ]" 1 171 1 11 THR MG 1 15 THR H . . 5.670 4.171 3.837 5.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 172 1 11 THR MG 1 15 THR HG1 . . 5.910 3.495 2.512 5.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 173 1 11 THR MG 2 4 PRO HA . . 5.220 3.954 2.892 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 174 1 11 THR MG 2 4 PRO HB2 . . 5.220 3.081 2.254 4.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 175 1 11 THR MG 2 4 PRO HB3 . . 5.220 4.236 2.305 5.251 0.031 8 0 "[ . 1 . 2 . 3 ]" 1 176 1 11 THR MG 2 7 LYS H . . 4.370 4.192 3.180 4.495 0.125 22 0 "[ . 1 . 2 . 3 ]" 1 177 1 11 THR MG 2 8 ALA H . . 5.220 3.107 2.296 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 178 1 11 THR MG 2 8 ALA MB . . 4.750 2.526 2.127 3.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 179 1 12 MET H 1 12 MET ME . . 5.220 4.812 4.080 5.026 . 0 0 "[ . 1 . 2 . 3 ]" 1 180 1 12 MET H 1 12 MET HG2 . . 4.310 3.763 3.444 4.425 0.115 7 0 "[ . 1 . 2 . 3 ]" 1 181 1 12 MET H 1 12 MET HG3 . . 4.310 2.659 2.210 4.379 0.069 7 0 "[ . 1 . 2 . 3 ]" 1 182 1 12 MET H 1 13 VAL H . . 4.270 2.890 2.738 3.031 . 0 0 "[ . 1 . 2 . 3 ]" 1 183 1 12 MET H 1 14 THR H . . 5.110 4.194 3.935 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 184 1 12 MET H 2 5 LEU QD . . 6.180 4.214 3.357 5.373 . 0 0 "[ . 1 . 2 . 3 ]" 1 185 1 12 MET H 2 8 ALA MB . . 4.660 3.211 2.724 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 186 1 12 MET HA 1 12 MET ME . . 4.630 4.320 3.822 4.606 . 0 0 "[ . 1 . 2 . 3 ]" 1 187 1 12 MET HA 1 15 THR HG1 . . 5.480 3.008 2.407 4.211 . 0 0 "[ . 1 . 2 . 3 ]" 1 188 1 12 MET HA 1 72 TYR HH . . 6.270 3.359 1.840 5.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 189 1 12 MET HA 2 5 LEU QD . . 4.240 2.623 1.978 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 190 1 12 MET QB 1 12 MET ME . . 4.080 3.179 2.113 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1 191 1 12 MET QB 1 72 TYR QD . . 6.270 4.276 3.226 5.341 . 0 0 "[ . 1 . 2 . 3 ]" 1 192 1 12 MET QB 1 72 TYR QE . . 6.270 2.719 2.221 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1 193 1 12 MET QB 1 72 TYR HH . . 6.270 4.167 2.189 5.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 194 1 12 MET QB 2 5 LEU QD . . 5.960 3.641 2.988 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1 195 1 12 MET ME 1 72 TYR QD . . 6.270 4.723 3.785 5.368 . 0 0 "[ . 1 . 2 . 3 ]" 1 196 1 12 MET ME 1 72 TYR QE . . 6.270 4.194 2.642 4.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 197 1 12 MET ME 1 72 TYR HH . . 6.270 5.000 3.072 6.371 0.101 19 0 "[ . 1 . 2 . 3 ]" 1 198 1 12 MET ME 1 73 SER HA . . 3.810 3.183 2.521 3.831 0.021 8 0 "[ . 1 . 2 . 3 ]" 1 199 1 12 MET ME 1 73 SER QB . . 4.290 3.430 2.929 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 200 1 12 MET ME 1 76 LEU MD1 . . 5.180 2.264 1.924 3.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 201 1 12 MET ME 1 76 LEU QD . . 3.780 2.240 1.919 3.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 202 1 12 MET ME 1 76 LEU MD2 . . 5.180 4.112 3.789 4.605 . 0 0 "[ . 1 . 2 . 3 ]" 1 203 1 12 MET ME 2 5 LEU QD . . 5.170 3.022 2.179 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 204 1 12 MET ME 2 9 LEU HA . . 4.270 3.921 3.291 4.355 0.085 13 0 "[ . 1 . 2 . 3 ]" 1 205 1 12 MET ME 2 9 LEU QD . . 4.240 2.173 1.883 2.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 206 1 12 MET ME 2 77 THR HG1 . . 5.090 4.900 4.187 5.307 0.217 1 0 "[ . 1 . 2 . 3 ]" 1 207 1 12 MET QG 1 72 TYR QD . . 6.060 4.951 3.308 6.064 0.004 13 0 "[ . 1 . 2 . 3 ]" 1 208 1 12 MET QG 1 72 TYR QE . . 6.030 3.515 2.014 4.413 . 0 0 "[ . 1 . 2 . 3 ]" 1 209 1 12 MET QG 1 72 TYR HH . . 5.910 3.919 2.056 5.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 210 1 12 MET QG 1 76 LEU QD . . 5.970 3.056 2.295 4.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 211 1 12 MET QG 2 5 LEU QD . . 4.600 2.405 1.923 3.639 . 0 0 "[ . 1 . 2 . 3 ]" 1 212 1 12 MET QG 2 9 LEU QD . . 5.030 3.459 2.943 4.605 . 0 0 "[ . 1 . 2 . 3 ]" 1 213 1 12 MET HG2 2 8 ALA MB . . 5.220 3.317 2.544 5.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 214 1 12 MET HG3 2 8 ALA MB . . 5.220 2.464 1.958 4.618 . 0 0 "[ . 1 . 2 . 3 ]" 1 215 1 13 VAL H 1 13 VAL HB . . 3.750 3.714 3.682 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 216 1 13 VAL H 1 13 VAL QG . . 2.890 2.024 1.951 2.078 . 0 0 "[ . 1 . 2 . 3 ]" 1 217 1 13 VAL H 1 14 THR H . . 4.270 2.694 2.565 2.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 218 1 13 VAL HA 1 16 PHE H . . 4.310 3.474 3.132 3.762 . 0 0 "[ . 1 . 2 . 3 ]" 1 219 1 13 VAL HB 1 14 THR H . . 4.250 3.943 3.800 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 220 1 13 VAL QG 1 14 THR H . . 4.220 2.421 2.256 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 221 1 13 VAL QG 1 14 THR HA . . 5.170 3.472 3.338 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 222 1 13 VAL QG 1 14 THR MG . . 6.180 4.314 2.730 4.578 . 0 0 "[ . 1 . 2 . 3 ]" 1 223 1 13 VAL QG 1 16 PHE H . . 5.170 4.683 4.467 4.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 224 1 13 VAL QG 2 80 CYS HA . . 6.180 5.380 4.932 6.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 225 1 13 VAL QG 2 80 CYS QB . . 4.600 3.955 3.371 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 226 1 13 VAL QG 2 84 ASN QB . . 5.970 3.940 2.917 5.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 227 1 13 VAL QG 2 84 ASN QD . . 4.270 3.099 1.963 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 228 1 13 VAL QG 2 87 PHE QD . . 6.180 3.633 2.428 5.176 . 0 0 "[ . 1 . 2 . 3 ]" 1 229 1 13 VAL QG 2 87 PHE QE . . 5.340 2.876 1.996 4.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 230 1 13 VAL QG 2 87 PHE HZ . . 6.180 3.392 1.961 5.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 231 1 13 VAL MG1 1 14 THR H . . 4.840 4.129 4.026 4.219 . 0 0 "[ . 1 . 2 . 3 ]" 1 232 1 13 VAL MG1 2 87 PHE QE . . 6.270 3.317 2.000 5.411 . 0 0 "[ . 1 . 2 . 3 ]" 1 233 1 13 VAL MG2 1 14 THR H . . 4.840 2.438 2.267 2.696 . 0 0 "[ . 1 . 2 . 3 ]" 1 234 1 13 VAL MG2 2 87 PHE QE . . 6.270 3.669 2.393 6.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 235 1 14 THR H 1 14 THR MG . . 3.980 3.666 2.512 3.796 . 0 0 "[ . 1 . 2 . 3 ]" 1 236 1 14 THR H 1 15 THR H . . 4.270 2.747 2.638 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 237 1 14 THR H 1 15 THR HG1 . . 5.940 5.498 5.071 5.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 238 1 14 THR H 1 16 PHE H . . 5.220 4.201 3.836 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 239 1 14 THR HA 1 17 HIS H . . 5.220 3.757 3.426 4.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 240 1 14 THR HA 1 17 HIS HB2 . . 4.710 3.793 2.485 4.690 . 0 0 "[ . 1 . 2 . 3 ]" 1 241 1 14 THR HA 1 17 HIS QB . . 3.970 2.973 2.464 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 242 1 14 THR HA 1 17 HIS HB3 . . 4.710 3.279 2.660 4.738 0.028 10 0 "[ . 1 . 2 . 3 ]" 1 243 1 14 THR HB 1 15 THR H . . 4.080 2.653 2.286 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 244 1 14 THR MG 1 15 THR H . . 5.750 3.444 2.346 4.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 245 1 14 THR MG 1 15 THR HA . . 5.220 3.685 3.235 5.329 0.109 14 0 "[ . 1 . 2 . 3 ]" 1 246 1 15 THR H 1 15 THR HG1 . . 4.430 3.275 3.093 3.450 . 0 0 "[ . 1 . 2 . 3 ]" 1 247 1 15 THR H 1 15 THR MG . . 4.700 2.807 2.250 3.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 248 1 15 THR H 1 16 PHE H . . 4.270 2.737 2.563 2.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 249 1 15 THR H 2 5 LEU QD . . 6.180 4.358 3.643 5.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 250 1 15 THR HA 1 18 LYS H . . 4.410 3.535 3.154 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 251 1 15 THR HA 1 18 LYS HB2 . . 5.220 3.102 2.291 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 252 1 15 THR HA 1 18 LYS QB . . 4.590 2.906 2.251 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 253 1 15 THR HA 1 18 LYS HB3 . . 5.220 3.727 2.548 5.313 0.093 9 0 "[ . 1 . 2 . 3 ]" 1 254 1 15 THR HA 1 18 LYS QG . . 4.620 3.956 2.956 4.780 0.160 2 0 "[ . 1 . 2 . 3 ]" 1 255 1 15 THR HA 1 19 TYR QE . . 5.030 4.389 3.912 5.093 0.063 13 0 "[ . 1 . 2 . 3 ]" 1 256 1 15 THR HB 1 16 PHE H . . 4.420 3.352 2.437 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 257 1 15 THR HB 1 72 TYR HH . . 4.510 3.628 2.624 4.813 0.303 10 0 "[ . 1 . 2 . 3 ]" 1 258 1 15 THR HB 2 5 LEU QD . . 5.170 2.877 2.028 5.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 259 1 15 THR HG1 1 16 PHE H . . 5.700 3.944 3.142 4.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 260 1 15 THR HG1 2 5 LEU H . . 6.270 5.037 3.897 5.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 261 1 15 THR HG1 2 5 LEU QD . . 6.180 2.094 1.439 3.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 262 1 15 THR MG 1 16 PHE H . . 5.220 4.027 3.452 4.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 263 1 15 THR MG 1 19 TYR QD . . 5.220 4.884 3.429 5.308 0.088 18 0 "[ . 1 . 2 . 3 ]" 1 264 1 15 THR MG 1 19 TYR QE . . 5.090 4.112 2.350 4.883 . 0 0 "[ . 1 . 2 . 3 ]" 1 265 1 15 THR MG 1 37 LEU MD1 . . 5.220 3.201 1.820 4.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 266 1 15 THR MG 1 37 LEU MD2 . . 5.220 4.376 1.953 5.238 0.018 17 0 "[ . 1 . 2 . 3 ]" 1 267 1 15 THR MG 1 41 GLU QB . . 5.220 2.925 2.117 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 268 1 15 THR MG 1 41 GLU HG2 . . 5.220 3.763 2.196 5.252 0.032 3 0 "[ . 1 . 2 . 3 ]" 1 269 1 15 THR MG 1 41 GLU HG3 . . 5.220 3.741 2.437 5.304 0.084 14 0 "[ . 1 . 2 . 3 ]" 1 270 1 15 THR MG 1 72 TYR HH . . 6.270 4.218 2.281 5.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 271 1 15 THR MG 2 5 LEU QB . . 5.080 2.473 2.144 3.260 . 0 0 "[ . 1 . 2 . 3 ]" 1 272 1 15 THR MG 2 5 LEU MD1 . . 5.220 2.991 2.117 5.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 273 1 15 THR MG 2 5 LEU MD2 . . 5.220 3.485 2.170 4.663 . 0 0 "[ . 1 . 2 . 3 ]" 1 274 1 16 PHE H 1 16 PHE QD . . 5.210 4.163 4.087 4.231 . 0 0 "[ . 1 . 2 . 3 ]" 1 275 1 16 PHE H 1 17 HIS H . . 4.530 2.823 2.679 3.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 276 1 16 PHE H 1 37 LEU QD . . 3.790 3.697 3.125 3.902 0.112 25 0 "[ . 1 . 2 . 3 ]" 1 277 1 16 PHE H 1 72 TYR HH . . 4.700 3.857 2.791 5.351 0.651 22 1 "[ . 1 . 2 + . 3 ]" 1 278 1 16 PHE HA 1 16 PHE QD . . 4.270 2.981 2.143 3.245 . 0 0 "[ . 1 . 2 . 3 ]" 1 279 1 16 PHE HA 1 16 PHE QE . . 5.220 4.820 4.510 4.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 280 1 16 PHE HA 1 19 TYR H . . 4.660 3.808 3.402 4.282 . 0 0 "[ . 1 . 2 . 3 ]" 1 281 1 16 PHE HA 1 19 TYR QD . . 4.780 3.511 2.653 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 282 1 16 PHE HA 1 19 TYR QE . . 5.450 5.335 4.358 5.599 0.149 10 0 "[ . 1 . 2 . 3 ]" 1 283 1 16 PHE HA 1 29 LEU QD . . 5.170 3.677 3.248 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1 284 1 16 PHE HA 1 37 LEU QD . . 5.070 2.348 2.066 2.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 285 1 16 PHE HA 1 72 TYR HH . . 5.000 4.456 3.825 5.247 0.247 22 0 "[ . 1 . 2 . 3 ]" 1 286 1 16 PHE QB 1 37 LEU QD . . 5.030 3.307 2.752 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 287 1 16 PHE QB 1 72 TYR HH . . 5.330 3.564 2.766 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 288 1 16 PHE QD 1 72 TYR HH . . 6.270 4.619 3.938 5.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 289 1 16 PHE HZ 1 27 LEU HA . . 5.310 4.420 3.264 5.366 0.056 23 0 "[ . 1 . 2 . 3 ]" 1 290 1 16 PHE HZ 1 28 THR HA . . 4.270 2.453 2.159 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 291 1 16 PHE HZ 1 28 THR HB . . 4.830 4.803 4.382 4.976 0.146 24 0 "[ . 1 . 2 . 3 ]" 1 292 1 16 PHE HZ 1 28 THR MG . . 6.270 4.039 3.219 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1 293 1 16 PHE HZ 1 29 LEU MD1 . . 6.270 4.584 3.674 5.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 294 1 16 PHE HZ 1 29 LEU MD2 . . 6.270 2.657 2.376 3.433 . 0 0 "[ . 1 . 2 . 3 ]" 1 295 1 16 PHE HZ 1 68 ASP HA . . 4.600 3.061 2.019 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 296 1 16 PHE HZ 1 68 ASP QB . . 5.750 4.711 3.737 5.820 0.070 11 0 "[ . 1 . 2 . 3 ]" 1 297 1 16 PHE HZ 1 69 PHE H . . 5.900 3.396 2.757 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1 298 1 16 PHE HZ 1 69 PHE HA . . 5.590 3.689 3.004 4.322 . 0 0 "[ . 1 . 2 . 3 ]" 1 299 1 17 HIS H 1 17 HIS QB . . 3.500 2.201 2.067 2.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 300 1 17 HIS H 1 18 LYS H . . 3.700 2.811 2.633 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1 301 1 17 HIS HA 1 17 HIS HD2 . . 4.270 3.332 2.209 4.352 0.082 8 0 "[ . 1 . 2 . 3 ]" 1 302 1 17 HIS HA 1 19 TYR H . . 5.220 3.700 2.916 4.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 303 1 17 HIS HA 1 21 GLY H . . 5.220 3.176 2.347 5.357 0.137 8 0 "[ . 1 . 2 . 3 ]" 1 304 1 17 HIS HB2 1 18 LYS H . . 4.840 4.008 2.920 4.331 . 0 0 "[ . 1 . 2 . 3 ]" 1 305 1 17 HIS HB3 1 18 LYS H . . 4.840 3.091 2.704 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 306 1 17 HIS HD2 1 26 LYS HA . . 4.920 4.268 2.476 5.017 0.097 30 0 "[ . 1 . 2 . 3 ]" 1 307 1 18 LYS H 1 18 LYS QB . . 3.560 2.141 1.953 2.474 . 0 0 "[ . 1 . 2 . 3 ]" 1 308 1 18 LYS H 1 18 LYS QD . . 5.220 4.236 3.384 4.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 309 1 18 LYS H 1 18 LYS HG2 . . 5.220 4.097 3.127 4.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 310 1 18 LYS H 1 18 LYS HG3 . . 5.220 3.878 2.120 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 311 1 18 LYS H 1 19 TYR H . . 4.460 2.809 2.628 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 312 1 18 LYS H 1 19 TYR QD . . 5.000 3.866 3.113 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 313 1 18 LYS QB 1 19 TYR QD . . 4.350 2.586 2.185 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 314 1 18 LYS HB2 1 19 TYR H . . 4.930 3.834 2.904 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 315 1 18 LYS HB2 1 19 TYR QE . . 4.780 4.206 2.754 4.823 0.043 3 0 "[ . 1 . 2 . 3 ]" 1 316 1 18 LYS HB3 1 19 TYR H . . 4.930 3.386 2.543 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1 317 1 18 LYS HB3 1 19 TYR QE . . 4.780 3.283 2.565 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 318 1 18 LYS QD 1 19 TYR QD . . 5.170 3.756 2.825 4.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 319 1 18 LYS QD 1 19 TYR QE . . 4.820 3.004 2.162 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 320 1 18 LYS QE 1 18 LYS QG . . 3.200 2.293 2.075 2.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 321 1 18 LYS HG2 1 19 TYR QE . . 6.270 4.962 3.131 6.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 322 1 18 LYS HG3 1 19 TYR QE . . 6.270 4.692 3.024 5.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 323 1 19 TYR H 1 19 TYR QD . . 4.020 2.702 2.276 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 324 1 19 TYR H 1 19 TYR QE . . 5.040 4.809 4.388 5.067 0.027 28 0 "[ . 1 . 2 . 3 ]" 1 325 1 19 TYR H 1 20 SER H . . 4.590 2.253 1.995 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 326 1 19 TYR H 1 21 GLY H . . 5.220 3.941 3.238 5.552 0.332 8 0 "[ . 1 . 2 . 3 ]" 1 327 1 19 TYR H 1 29 LEU MD1 . . 6.270 4.124 3.795 4.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 328 1 19 TYR H 1 29 LEU QD . . 4.960 4.041 3.732 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 329 1 19 TYR H 1 29 LEU MD2 . . 6.270 5.864 5.075 6.303 0.033 20 0 "[ . 1 . 2 . 3 ]" 1 330 1 19 TYR H 1 37 LEU QD . . 4.920 3.949 3.532 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 331 1 19 TYR HA 1 19 TYR QD . . 4.270 2.998 2.675 3.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 332 1 19 TYR HA 1 19 TYR QE . . 4.940 4.659 4.462 4.958 0.018 29 0 "[ . 1 . 2 . 3 ]" 1 333 1 19 TYR HA 1 22 ARG QD . . 4.200 3.041 2.006 4.313 0.113 17 0 "[ . 1 . 2 . 3 ]" 1 334 1 19 TYR HA 1 22 ARG HE . . 5.160 3.943 2.387 5.295 0.135 23 0 "[ . 1 . 2 . 3 ]" 1 335 1 19 TYR QB 1 29 LEU QD . . 4.240 2.112 1.947 2.421 . 0 0 "[ . 1 . 2 . 3 ]" 1 336 1 19 TYR QB 1 37 LEU QD . . 5.430 2.698 2.217 3.555 . 0 0 "[ . 1 . 2 . 3 ]" 1 337 1 19 TYR HB2 1 29 LEU MD1 . . 5.690 2.440 2.176 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 338 1 19 TYR HB2 1 29 LEU MD2 . . 5.690 4.545 4.026 4.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 339 1 19 TYR HB3 1 29 LEU MD1 . . 5.690 2.352 2.102 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 340 1 19 TYR HB3 1 29 LEU MD2 . . 5.690 4.884 4.376 5.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 341 1 19 TYR QD 1 20 SER H . . 5.580 4.400 4.055 5.000 . 0 0 "[ . 1 . 2 . 3 ]" 1 342 1 19 TYR QD 1 22 ARG QD . . 4.730 4.245 2.955 4.810 0.080 2 0 "[ . 1 . 2 . 3 ]" 1 343 1 19 TYR QD 1 29 LEU QD . . 5.840 3.653 3.354 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 344 1 19 TYR QD 1 36 GLU HG2 . . 5.690 4.893 2.648 5.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 345 1 19 TYR QD 1 36 GLU QG . . 4.940 4.465 2.517 5.026 0.086 29 0 "[ . 1 . 2 . 3 ]" 1 346 1 19 TYR QD 1 36 GLU HG3 . . 5.690 5.282 3.146 5.756 0.066 22 0 "[ . 1 . 2 . 3 ]" 1 347 1 19 TYR QD 1 37 LEU H . . 5.300 4.402 3.244 5.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 348 1 19 TYR QD 1 37 LEU HA . . 5.170 4.132 3.486 4.835 . 0 0 "[ . 1 . 2 . 3 ]" 1 349 1 19 TYR QD 1 37 LEU QD . . 5.170 2.276 1.898 2.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 350 1 19 TYR QD 1 37 LEU HG . . 5.240 4.677 3.008 5.288 0.048 11 0 "[ . 1 . 2 . 3 ]" 1 351 1 19 TYR QE 1 29 LEU QD . . 6.180 5.127 4.702 5.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 352 1 19 TYR QE 1 36 GLU QB . . 4.600 3.754 2.193 4.652 0.052 14 0 "[ . 1 . 2 . 3 ]" 1 353 1 19 TYR QE 1 36 GLU HG2 . . 4.670 3.883 2.212 4.805 0.135 29 0 "[ . 1 . 2 . 3 ]" 1 354 1 19 TYR QE 1 36 GLU QG . . 4.040 3.331 2.195 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 355 1 19 TYR QE 1 36 GLU HG3 . . 4.670 3.827 2.300 4.673 0.003 18 0 "[ . 1 . 2 . 3 ]" 1 356 1 19 TYR QE 1 37 LEU H . . 5.400 4.350 3.312 5.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 357 1 19 TYR QE 1 37 LEU HA . . 4.370 3.159 2.619 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 358 1 19 TYR QE 1 37 LEU QD . . 5.170 2.296 1.970 3.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 359 1 19 TYR QE 1 37 LEU HG . . 4.870 4.646 2.727 5.003 0.133 11 0 "[ . 1 . 2 . 3 ]" 1 360 1 19 TYR QE 1 40 LYS QD . . 4.740 4.321 2.440 4.807 0.067 2 0 "[ . 1 . 2 . 3 ]" 1 361 1 19 TYR QE 1 40 LYS QE . . 6.230 4.392 2.601 5.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 362 1 19 TYR QE 1 41 GLU H . . 5.800 4.922 4.247 5.863 0.063 11 0 "[ . 1 . 2 . 3 ]" 1 363 1 19 TYR QE 1 41 GLU QG . . 4.540 3.350 2.037 4.657 0.117 12 0 "[ . 1 . 2 . 3 ]" 1 364 1 20 SER H 1 21 GLY H . . 5.220 2.695 2.098 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1 365 1 20 SER HA 1 28 THR H . . 6.270 4.993 3.685 6.357 0.087 26 0 "[ . 1 . 2 . 3 ]" 1 366 1 20 SER HA 1 29 LEU HB2 . . 5.220 3.401 2.178 4.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 367 1 20 SER HA 1 29 LEU HB3 . . 5.220 2.737 2.002 3.847 . 0 0 "[ . 1 . 2 . 3 ]" 1 368 1 20 SER HA 1 29 LEU MD1 . . 5.670 3.752 3.035 5.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 369 1 20 SER HA 1 29 LEU QD . . 4.670 3.557 2.948 4.672 0.002 20 0 "[ . 1 . 2 . 3 ]" 1 370 1 20 SER HA 1 29 LEU MD2 . . 5.670 4.541 3.649 5.683 0.013 20 0 "[ . 1 . 2 . 3 ]" 1 371 1 20 SER QB 1 28 THR H . . 5.150 3.316 2.331 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 372 1 21 GLY H 1 22 ARG H . . 4.870 3.062 1.785 4.270 . 0 0 "[ . 1 . 2 . 3 ]" 1 373 1 22 ARG H 1 22 ARG QD . . 4.660 3.916 2.350 4.783 0.123 5 0 "[ . 1 . 2 . 3 ]" 1 374 1 22 ARG H 1 22 ARG HG2 . . 4.620 3.477 1.791 4.667 0.047 25 0 "[ . 1 . 2 . 3 ]" 1 375 1 22 ARG H 1 22 ARG QG . . 4.060 2.652 1.770 4.078 0.018 25 0 "[ . 1 . 2 . 3 ]" 1 376 1 22 ARG H 1 22 ARG HG3 . . 4.620 2.980 2.116 4.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 377 1 22 ARG H 1 23 GLU H . . 4.270 2.453 1.656 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1 378 1 22 ARG H 1 23 GLU HA . . 5.220 4.983 4.249 5.414 0.194 8 0 "[ . 1 . 2 . 3 ]" 1 379 1 22 ARG H 1 23 GLU QB . . 5.080 4.590 3.546 5.228 0.148 8 0 "[ . 1 . 2 . 3 ]" 1 380 1 22 ARG HA 1 22 ARG QD . . 4.530 4.097 2.138 4.591 0.061 30 0 "[ . 1 . 2 . 3 ]" 1 381 1 22 ARG HA 1 22 ARG HE . . 5.220 4.973 4.068 5.453 0.233 21 0 "[ . 1 . 2 . 3 ]" 1 382 1 22 ARG HA 1 22 ARG QG . . 3.550 2.873 2.225 3.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 383 1 22 ARG HB2 1 22 ARG QD . . 3.620 2.570 1.996 3.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 384 1 22 ARG HB2 1 22 ARG HE . . 5.220 3.338 2.153 4.793 . 0 0 "[ . 1 . 2 . 3 ]" 1 385 1 22 ARG HB3 1 22 ARG QD . . 3.620 2.876 2.242 3.649 0.029 29 0 "[ . 1 . 2 . 3 ]" 1 386 1 22 ARG HB3 1 22 ARG HE . . 5.220 3.595 2.184 5.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 387 1 22 ARG QD 1 23 GLU H . . 5.220 4.538 3.422 5.384 0.164 26 0 "[ . 1 . 2 . 3 ]" 1 388 1 23 GLU H 1 23 GLU QG . . 4.210 3.343 1.685 4.233 0.023 28 0 "[ . 1 . 2 . 3 ]" 1 389 1 23 GLU H 1 24 GLY H . . 4.840 3.229 1.719 4.527 . 0 0 "[ . 1 . 2 . 3 ]" 1 390 1 23 GLU HA 1 23 GLU QG . . 3.720 2.530 2.231 3.368 . 0 0 "[ . 1 . 2 . 3 ]" 1 391 1 23 GLU HB2 1 24 GLY H . . 3.950 2.975 2.009 3.978 0.028 16 0 "[ . 1 . 2 . 3 ]" 1 392 1 23 GLU HB3 1 24 GLY H . . 3.950 2.848 1.769 4.061 0.111 5 0 "[ . 1 . 2 . 3 ]" 1 393 1 23 GLU QG 1 24 GLY H . . 5.220 4.058 3.445 4.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 394 1 25 SER H 1 25 SER QB . . 3.340 2.838 2.174 3.435 0.095 26 0 "[ . 1 . 2 . 3 ]" 1 395 1 25 SER H 1 26 LYS H . . 5.220 4.183 2.873 4.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 396 1 25 SER HA 1 27 LEU H . . 4.430 3.911 2.912 4.516 0.086 26 0 "[ . 1 . 2 . 3 ]" 1 397 1 25 SER QB 1 26 LYS H . . 4.470 3.524 2.335 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 398 1 25 SER QB 1 28 THR H . . 4.460 3.125 2.061 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 399 1 25 SER HB2 1 26 LYS H . . 5.220 4.054 2.357 4.660 . 0 0 "[ . 1 . 2 . 3 ]" 1 400 1 25 SER HB2 1 28 THR H . . 5.100 3.996 2.640 5.181 0.081 16 0 "[ . 1 . 2 . 3 ]" 1 401 1 25 SER HB3 1 26 LYS H . . 5.220 3.994 3.007 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 402 1 25 SER HB3 1 28 THR H . . 5.100 3.523 2.070 5.151 0.051 14 0 "[ . 1 . 2 . 3 ]" 1 403 1 26 LYS H 1 26 LYS QD . . 4.600 3.660 1.718 4.625 0.025 17 0 "[ . 1 . 2 . 3 ]" 1 404 1 26 LYS H 1 26 LYS QG . . 4.630 2.626 1.938 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 405 1 26 LYS H 1 27 LEU H . . 4.410 2.629 1.731 3.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 406 1 26 LYS H 1 27 LEU QD . . 5.170 3.657 1.722 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 407 1 26 LYS H 1 28 THR H . . 5.260 4.225 3.163 4.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 408 1 26 LYS H 2 88 LEU MD1 . . 5.500 5.373 3.788 5.712 0.212 23 0 "[ . 1 . 2 . 3 ]" 1 409 1 26 LYS H 2 88 LEU MD2 . . 5.500 4.756 2.934 5.732 0.232 23 0 "[ . 1 . 2 . 3 ]" 1 410 1 26 LYS HA 1 26 LYS QD . . 4.620 4.005 3.355 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 411 1 26 LYS HA 1 28 THR H . . 4.730 4.138 3.618 4.817 0.087 18 0 "[ . 1 . 2 . 3 ]" 1 412 1 26 LYS QB 1 26 LYS QE . . 3.760 2.417 1.849 3.766 0.006 10 0 "[ . 1 . 2 . 3 ]" 1 413 1 26 LYS HB2 1 26 LYS QE . . 4.330 2.607 1.860 4.200 . 0 0 "[ . 1 . 2 . 3 ]" 1 414 1 26 LYS HB3 1 26 LYS QE . . 4.330 3.225 1.979 4.472 0.142 24 0 "[ . 1 . 2 . 3 ]" 1 415 1 26 LYS QE 1 27 LEU QD . . 5.170 4.264 2.806 5.221 0.051 24 0 "[ . 1 . 2 . 3 ]" 1 416 1 26 LYS QE 2 88 LEU QD . . 5.170 3.626 1.810 5.184 0.014 10 0 "[ . 1 . 2 . 3 ]" 1 417 1 27 LEU H 1 27 LEU MD1 . . 4.660 4.017 3.758 4.331 . 0 0 "[ . 1 . 2 . 3 ]" 1 418 1 27 LEU H 1 27 LEU QD . . 4.020 2.798 1.590 3.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 419 1 27 LEU H 1 27 LEU MD2 . . 4.660 2.984 1.591 4.346 . 0 0 "[ . 1 . 2 . 3 ]" 1 420 1 27 LEU H 1 27 LEU HG . . 4.190 3.063 2.170 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 421 1 27 LEU H 1 28 THR H . . 4.050 2.130 1.753 2.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 422 1 27 LEU H 1 28 THR MG . . 6.180 4.070 3.362 4.556 . 0 0 "[ . 1 . 2 . 3 ]" 1 423 1 27 LEU HA 1 27 LEU QD . . 4.190 2.612 1.957 3.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 424 1 27 LEU HA 1 28 THR MG . . 6.270 4.481 3.955 4.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 425 1 27 LEU QB 1 28 THR H . . 4.080 3.494 2.673 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1 426 1 27 LEU QB 1 28 THR MG . . 4.750 3.227 2.522 4.297 . 0 0 "[ . 1 . 2 . 3 ]" 1 427 1 27 LEU HB2 1 28 THR H . . 4.670 3.754 2.746 4.581 . 0 0 "[ . 1 . 2 . 3 ]" 1 428 1 27 LEU HB3 1 28 THR H . . 4.670 4.246 3.665 4.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 429 1 27 LEU QD 2 87 PHE HA . . 5.600 4.993 3.368 5.720 0.120 17 0 "[ . 1 . 2 . 3 ]" 1 430 1 27 LEU QD 2 87 PHE QD . . 4.980 3.595 2.590 4.932 . 0 0 "[ . 1 . 2 . 3 ]" 1 431 1 27 LEU MD1 1 28 THR H . . 5.220 4.915 3.829 5.344 0.124 9 0 "[ . 1 . 2 . 3 ]" 1 432 1 27 LEU MD1 2 87 PHE QD . . 6.270 4.609 3.391 5.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 433 1 27 LEU MD1 2 87 PHE QE . . 6.270 5.540 2.854 6.304 0.034 5 0 "[ . 1 . 2 . 3 ]" 1 434 1 27 LEU MD2 1 28 THR H . . 5.220 4.144 2.174 5.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 435 1 27 LEU MD2 2 87 PHE QD . . 6.270 3.970 2.605 5.274 . 0 0 "[ . 1 . 2 . 3 ]" 1 436 1 27 LEU MD2 2 87 PHE QE . . 6.270 5.130 2.293 6.321 0.051 22 0 "[ . 1 . 2 . 3 ]" 1 437 1 27 LEU HG 1 28 THR H . . 5.010 4.174 2.281 5.186 0.176 24 0 "[ . 1 . 2 . 3 ]" 1 438 1 28 THR H 1 28 THR MG . . 4.400 3.090 2.517 3.425 . 0 0 "[ . 1 . 2 . 3 ]" 1 439 1 28 THR H 1 29 LEU H . . 5.130 4.458 4.342 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 440 1 28 THR HA 1 66 GLU QB . . 4.980 4.502 4.080 5.021 0.041 12 0 "[ . 1 . 2 . 3 ]" 1 441 1 28 THR HA 1 67 ILE H . . 5.140 4.368 3.991 4.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 442 1 28 THR HA 1 68 ASP HA . . 4.270 2.764 2.202 3.344 . 0 0 "[ . 1 . 2 . 3 ]" 1 443 1 28 THR HB 1 29 LEU H . . 4.270 2.394 2.024 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 444 1 28 THR HB 1 66 GLU QB . . 4.770 2.335 1.962 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 445 1 28 THR HB 1 67 ILE H . . 4.860 3.359 2.636 4.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 446 1 28 THR HB 1 68 ASP HA . . 4.650 4.134 3.759 4.681 0.031 3 0 "[ . 1 . 2 . 3 ]" 1 447 1 28 THR MG 1 29 LEU H . . 4.650 3.621 3.349 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1 448 1 28 THR MG 1 66 GLU QB . . 4.720 3.089 2.467 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 449 1 28 THR MG 1 67 ILE H . . 6.270 4.207 3.527 4.862 . 0 0 "[ . 1 . 2 . 3 ]" 1 450 1 28 THR MG 1 68 ASP H . . 5.220 3.868 3.235 4.873 . 0 0 "[ . 1 . 2 . 3 ]" 1 451 1 28 THR MG 1 68 ASP HA . . 4.830 2.409 2.017 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1 452 1 28 THR MG 1 68 ASP HB2 . . 5.220 3.250 2.385 4.477 . 0 0 "[ . 1 . 2 . 3 ]" 1 453 1 28 THR MG 1 68 ASP HB3 . . 5.220 3.199 2.329 5.216 . 0 0 "[ . 1 . 2 . 3 ]" 1 454 1 29 LEU H 1 29 LEU MD1 . . 5.220 4.478 4.304 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 455 1 29 LEU H 1 29 LEU QD . . 4.490 2.202 1.922 2.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 456 1 29 LEU H 1 29 LEU MD2 . . 5.220 2.207 1.924 2.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 457 1 29 LEU H 1 29 LEU HG . . 4.290 3.868 3.397 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 458 1 29 LEU H 1 30 SER H . . 5.120 4.427 4.351 4.484 . 0 0 "[ . 1 . 2 . 3 ]" 1 459 1 29 LEU H 1 66 GLU HB2 . . 5.220 5.316 5.168 5.442 0.222 26 0 "[ . 1 . 2 . 3 ]" 1 460 1 29 LEU H 1 66 GLU QB . . 4.600 3.551 3.397 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 461 1 29 LEU H 1 66 GLU HB3 . . 5.220 3.607 3.445 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 462 1 29 LEU H 1 67 ILE H . . 4.490 2.609 2.336 3.154 . 0 0 "[ . 1 . 2 . 3 ]" 1 463 1 29 LEU H 1 68 ASP HA . . 4.800 4.291 3.743 4.847 0.047 2 0 "[ . 1 . 2 . 3 ]" 1 464 1 29 LEU QB 1 30 SER H . . 4.020 2.488 2.193 2.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 465 1 29 LEU QB 1 33 GLU QG . . 4.540 3.294 2.172 3.881 . 0 0 "[ . 1 . 2 . 3 ]" 1 466 1 29 LEU HB2 1 30 SER H . . 4.700 2.516 2.209 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 467 1 29 LEU HB2 1 33 GLU QG . . 5.150 3.371 2.190 4.047 . 0 0 "[ . 1 . 2 . 3 ]" 1 468 1 29 LEU HB3 1 30 SER H . . 4.700 3.940 3.717 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1 469 1 29 LEU HB3 1 33 GLU QG . . 5.150 4.694 3.564 5.307 0.157 30 0 "[ . 1 . 2 . 3 ]" 1 470 1 29 LEU QD 1 30 SER H . . 4.590 3.658 3.240 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 471 1 29 LEU QD 1 33 GLU H . . 5.170 4.333 3.996 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 472 1 29 LEU QD 1 33 GLU QG . . 5.170 2.875 2.072 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1 473 1 29 LEU QD 1 34 LEU H . . 4.330 2.999 2.511 3.417 . 0 0 "[ . 1 . 2 . 3 ]" 1 474 1 29 LEU QD 1 34 LEU HA . . 4.780 2.488 1.968 3.328 . 0 0 "[ . 1 . 2 . 3 ]" 1 475 1 29 LEU QD 1 34 LEU QB . . 5.970 2.345 1.917 2.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 476 1 29 LEU QD 1 34 LEU QD . . 5.110 2.425 1.771 3.605 . 0 0 "[ . 1 . 2 . 3 ]" 1 477 1 29 LEU QD 1 67 ILE H . . 5.170 3.351 2.961 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 478 1 29 LEU QD 1 67 ILE HB . . 5.040 3.381 2.295 4.347 . 0 0 "[ . 1 . 2 . 3 ]" 1 479 1 29 LEU MD1 1 30 SER H . . 5.220 4.031 3.591 4.379 . 0 0 "[ . 1 . 2 . 3 ]" 1 480 1 29 LEU MD1 1 34 LEU HA . . 6.270 2.559 1.985 3.757 . 0 0 "[ . 1 . 2 . 3 ]" 1 481 1 29 LEU MD2 1 30 SER H . . 5.220 4.220 3.688 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 482 1 29 LEU MD2 1 34 LEU HA . . 6.270 3.678 3.025 4.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 483 1 29 LEU HG 1 30 SER H . . 4.530 3.221 2.409 3.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 484 1 30 SER H 1 31 ARG H . . 5.220 4.688 4.583 4.773 . 0 0 "[ . 1 . 2 . 3 ]" 1 485 1 30 SER H 1 33 GLU H . . 5.020 4.121 3.500 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1 486 1 30 SER H 1 33 GLU HB2 . . 5.220 3.489 2.315 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 487 1 30 SER H 1 33 GLU HB3 . . 5.220 3.750 2.314 5.368 0.148 24 0 "[ . 1 . 2 . 3 ]" 1 488 1 30 SER H 1 33 GLU QG . . 4.600 3.893 2.154 4.723 0.123 6 0 "[ . 1 . 2 . 3 ]" 1 489 1 30 SER HA 1 66 GLU H . . 5.220 4.574 4.209 5.235 0.015 28 0 "[ . 1 . 2 . 3 ]" 1 490 1 30 SER HA 1 66 GLU HA . . 4.360 2.433 2.049 3.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 491 1 30 SER HA 1 66 GLU QG . . 4.740 3.636 2.813 4.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 492 1 30 SER HA 1 67 ILE H . . 4.730 3.628 3.322 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 493 1 30 SER QB 1 64 ASP HA . . 4.070 3.070 1.971 4.179 0.109 18 0 "[ . 1 . 2 . 3 ]" 1 494 1 30 SER HB2 1 31 ARG H . . 5.160 2.956 2.326 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 495 1 30 SER HB2 1 64 ASP HA . . 4.730 3.308 2.040 4.601 . 0 0 "[ . 1 . 2 . 3 ]" 1 496 1 30 SER HB3 1 31 ARG H . . 5.160 3.848 2.864 4.111 . 0 0 "[ . 1 . 2 . 3 ]" 1 497 1 30 SER HB3 1 64 ASP HA . . 4.730 4.090 2.178 4.861 0.131 17 0 "[ . 1 . 2 . 3 ]" 1 498 1 31 ARG H 1 31 ARG HD2 . . 5.220 3.817 2.589 4.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 499 1 31 ARG H 1 31 ARG HD3 . . 5.220 4.284 2.975 5.453 0.233 17 0 "[ . 1 . 2 . 3 ]" 1 500 1 31 ARG H 1 31 ARG QG . . 4.370 2.654 1.786 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 501 1 31 ARG HA 1 31 ARG HD2 . . 5.220 3.500 2.106 5.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 502 1 31 ARG HA 1 31 ARG HD3 . . 5.220 4.337 3.006 5.363 0.143 6 0 "[ . 1 . 2 . 3 ]" 1 503 1 31 ARG HA 1 33 GLU H . . 5.220 4.393 3.735 4.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 504 1 31 ARG HA 1 34 LEU H . . 4.560 3.523 3.033 3.861 . 0 0 "[ . 1 . 2 . 3 ]" 1 505 1 31 ARG HA 1 34 LEU QB . . 4.740 2.714 2.147 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1 506 1 31 ARG HA 1 34 LEU QD . . 5.170 3.426 2.234 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 507 1 31 ARG HA 1 35 LYS H . . 5.030 4.222 3.807 4.874 . 0 0 "[ . 1 . 2 . 3 ]" 1 508 1 31 ARG HA 1 67 ILE MD . . 5.120 2.396 1.789 4.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 509 1 31 ARG QB 1 34 LEU H . . 5.340 5.055 4.625 5.326 . 0 0 "[ . 1 . 2 . 3 ]" 1 510 1 31 ARG QB 1 63 SER QB . . 5.080 3.918 2.822 5.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 511 1 31 ARG HB2 1 31 ARG HE . . 5.220 3.912 2.121 4.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 512 1 31 ARG HB3 1 31 ARG HE . . 5.220 3.498 1.975 5.034 . 0 0 "[ . 1 . 2 . 3 ]" 1 513 1 31 ARG QD 1 34 LEU QD . . 5.030 4.420 2.747 5.105 0.075 17 0 "[ . 1 . 2 . 3 ]" 1 514 1 31 ARG QD 1 59 LEU HA . . 4.330 3.779 2.280 4.447 0.117 15 0 "[ . 1 . 2 . 3 ]" 1 515 1 31 ARG QD 1 59 LEU QD . . 4.600 3.384 2.475 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 516 1 31 ARG QD 1 63 SER HA . . 4.530 4.185 3.249 4.728 0.198 19 0 "[ . 1 . 2 . 3 ]" 1 517 1 31 ARG QD 1 67 ILE MD . . 5.080 2.961 2.008 4.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 518 1 31 ARG HD2 1 59 LEU HA . . 5.050 4.547 2.531 5.197 0.147 9 0 "[ . 1 . 2 . 3 ]" 1 519 1 31 ARG HD2 1 63 SER HA . . 5.220 4.946 3.560 5.353 0.133 19 0 "[ . 1 . 2 . 3 ]" 1 520 1 31 ARG HD2 1 65 GLN H . . 5.220 4.964 3.537 5.606 0.386 31 0 "[ . 1 . 2 . 3 ]" 1 521 1 31 ARG HD3 1 59 LEU HA . . 5.050 4.220 2.590 5.146 0.096 3 0 "[ . 1 . 2 . 3 ]" 1 522 1 31 ARG HD3 1 63 SER HA . . 5.220 4.600 3.326 5.301 0.081 4 0 "[ . 1 . 2 . 3 ]" 1 523 1 31 ARG HD3 1 65 GLN H . . 5.220 4.668 3.320 5.623 0.403 4 0 "[ . 1 . 2 . 3 ]" 1 524 1 31 ARG HE 1 59 LEU QD . . 5.170 3.050 1.621 5.364 0.194 11 0 "[ . 1 . 2 . 3 ]" 1 525 1 31 ARG QG 1 63 SER HA . . 4.290 2.695 2.051 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 526 1 31 ARG QG 1 63 SER QB . . 4.340 4.210 3.579 4.441 0.101 21 0 "[ . 1 . 2 . 3 ]" 1 527 1 31 ARG HG2 1 63 SER H . . 5.220 3.882 1.799 5.342 0.122 14 0 "[ . 1 . 2 . 3 ]" 1 528 1 31 ARG HG3 1 63 SER H . . 5.220 3.758 1.921 5.445 0.225 22 0 "[ . 1 . 2 . 3 ]" 1 529 1 32 LYS H 1 32 LYS QB . . 3.490 2.186 1.949 2.566 . 0 0 "[ . 1 . 2 . 3 ]" 1 530 1 32 LYS H 1 32 LYS QG . . 4.250 3.406 1.870 4.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 531 1 32 LYS H 1 33 GLU H . . 4.410 2.830 2.512 3.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 532 1 32 LYS H 1 63 SER QB . . 5.220 4.025 2.892 5.369 0.149 9 0 "[ . 1 . 2 . 3 ]" 1 533 1 32 LYS HA 1 32 LYS QD . . 3.830 3.130 2.079 4.014 0.184 1 0 "[ . 1 . 2 . 3 ]" 1 534 1 32 LYS HA 1 32 LYS QE . . 4.500 3.999 1.971 4.589 0.089 25 0 "[ . 1 . 2 . 3 ]" 1 535 1 32 LYS HA 1 32 LYS QG . . 3.820 2.528 2.063 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1 536 1 32 LYS HA 1 35 LYS H . . 4.860 3.774 3.123 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 537 1 32 LYS HA 1 36 GLU H . . 5.020 4.658 3.941 5.107 0.087 4 0 "[ . 1 . 2 . 3 ]" 1 538 1 32 LYS HB2 1 33 GLU H . . 4.470 3.398 2.366 4.320 . 0 0 "[ . 1 . 2 . 3 ]" 1 539 1 32 LYS HB3 1 33 GLU H . . 4.470 3.007 2.395 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1 540 1 32 LYS QD 1 32 LYS QE . . 2.280 2.078 2.001 2.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 541 1 32 LYS QD 1 63 SER QB . . 4.630 3.591 1.904 4.726 0.096 27 0 "[ . 1 . 2 . 3 ]" 1 542 1 32 LYS QG 1 33 GLU H . . 4.950 4.119 3.103 4.781 . 0 0 "[ . 1 . 2 . 3 ]" 1 543 1 32 LYS QG 1 63 SER QB . . 4.700 3.546 2.051 4.804 0.104 19 0 "[ . 1 . 2 . 3 ]" 1 544 1 33 GLU H 1 33 GLU QG . . 4.190 3.511 2.027 4.114 . 0 0 "[ . 1 . 2 . 3 ]" 1 545 1 33 GLU H 1 34 LEU H . . 4.040 2.719 2.492 3.002 . 0 0 "[ . 1 . 2 . 3 ]" 1 546 1 33 GLU HA 1 35 LYS H . . 5.220 4.418 3.915 4.841 . 0 0 "[ . 1 . 2 . 3 ]" 1 547 1 33 GLU HA 1 36 GLU H . . 4.270 3.259 2.803 3.672 . 0 0 "[ . 1 . 2 . 3 ]" 1 548 1 33 GLU HA 1 36 GLU QB . . 3.640 2.576 2.151 3.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 549 1 33 GLU QG 1 34 LEU H . . 4.650 4.095 3.512 4.667 0.017 22 0 "[ . 1 . 2 . 3 ]" 1 550 1 34 LEU H 1 34 LEU MD1 . . 4.740 4.107 3.571 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1 551 1 34 LEU H 1 34 LEU MD2 . . 4.740 4.264 4.115 4.422 . 0 0 "[ . 1 . 2 . 3 ]" 1 552 1 34 LEU H 1 34 LEU HG . . 4.510 4.417 4.272 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 553 1 34 LEU H 1 35 LYS H . . 4.440 2.894 2.658 3.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 554 1 34 LEU H 1 35 LYS QB . . 4.970 4.544 4.121 5.032 0.062 6 0 "[ . 1 . 2 . 3 ]" 1 555 1 34 LEU H 1 36 GLU H . . 5.220 4.205 3.914 4.678 . 0 0 "[ . 1 . 2 . 3 ]" 1 556 1 34 LEU H 1 67 ILE MD . . 5.040 3.891 2.825 5.071 0.031 9 0 "[ . 1 . 2 . 3 ]" 1 557 1 34 LEU HA 1 37 LEU H . . 5.220 3.465 3.094 3.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 558 1 34 LEU HA 1 37 LEU HB2 . . 4.870 3.586 2.457 4.084 . 0 0 "[ . 1 . 2 . 3 ]" 1 559 1 34 LEU HA 1 37 LEU HB3 . . 4.870 2.584 2.166 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 560 1 34 LEU HA 1 37 LEU QD . . 5.170 2.794 2.172 3.400 . 0 0 "[ . 1 . 2 . 3 ]" 1 561 1 34 LEU HA 1 38 ILE H . . 5.220 4.226 3.855 4.866 . 0 0 "[ . 1 . 2 . 3 ]" 1 562 1 34 LEU QB 1 35 LYS H . . 4.410 2.557 2.340 2.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 563 1 34 LEU QD 1 35 LYS H . . 4.350 3.805 3.534 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 564 1 34 LEU QD 1 37 LEU QD . . 5.110 2.404 1.671 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 565 1 34 LEU QD 1 38 ILE H . . 6.040 3.973 3.216 4.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 566 1 34 LEU QD 1 38 ILE QG . . 5.500 2.861 2.219 3.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 567 1 34 LEU QD 1 67 ILE HB . . 5.170 3.465 2.523 4.213 . 0 0 "[ . 1 . 2 . 3 ]" 1 568 1 34 LEU QD 1 67 ILE MD . . 4.570 1.886 1.677 2.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 569 1 34 LEU QD 1 67 ILE QG . . 5.030 3.307 2.153 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 570 1 34 LEU QD 1 67 ILE MG . . 5.170 2.882 1.724 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1 571 1 34 LEU QD 1 72 TYR H . . 5.170 3.650 3.036 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 572 1 34 LEU QD 1 72 TYR HA . . 4.150 2.316 1.877 2.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 573 1 34 LEU QD 1 72 TYR QB . . 5.960 2.290 1.968 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 574 1 34 LEU QD 1 75 PHE QB . . 4.690 3.042 2.301 3.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 575 1 34 LEU QD 1 75 PHE QD . . 4.830 3.591 2.704 4.581 . 0 0 "[ . 1 . 2 . 3 ]" 1 576 1 34 LEU QD 1 75 PHE QE . . 5.260 4.273 3.728 5.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 577 1 34 LEU MD1 1 35 LYS H . . 5.220 4.436 4.000 5.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 578 1 34 LEU MD1 1 38 ILE MD . . 5.220 2.505 2.041 3.677 . 0 0 "[ . 1 . 2 . 3 ]" 1 579 1 34 LEU MD1 1 67 ILE MD . . 5.220 3.276 1.830 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 580 1 34 LEU MD1 1 72 TYR HA . . 4.840 2.788 1.991 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 581 1 34 LEU MD1 1 75 PHE QD . . 5.790 4.585 3.312 5.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 582 1 34 LEU MD1 1 75 PHE QE . . 6.270 5.413 4.446 6.297 0.027 16 0 "[ . 1 . 2 . 3 ]" 1 583 1 34 LEU MD2 1 35 LYS H . . 5.220 4.161 3.751 4.479 . 0 0 "[ . 1 . 2 . 3 ]" 1 584 1 34 LEU MD2 1 38 ILE MD . . 5.220 3.120 2.173 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 585 1 34 LEU MD2 1 67 ILE MD . . 5.220 1.933 1.721 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 1 586 1 34 LEU MD2 1 72 TYR HA . . 4.840 2.741 2.004 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 587 1 34 LEU MD2 1 75 PHE QD . . 5.790 3.791 2.755 4.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 588 1 34 LEU MD2 1 75 PHE QE . . 6.270 4.508 3.841 5.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 589 1 34 LEU HG 1 75 PHE QD . . 5.530 4.906 3.421 5.612 0.082 12 0 "[ . 1 . 2 . 3 ]" 1 590 1 34 LEU HG 1 75 PHE QE . . 5.540 5.151 3.859 5.627 0.087 12 0 "[ . 1 . 2 . 3 ]" 1 591 1 35 LYS H 1 35 LYS HB2 . . 3.900 2.767 2.073 3.641 . 0 0 "[ . 1 . 2 . 3 ]" 1 592 1 35 LYS H 1 35 LYS QB . . 3.420 2.130 1.944 2.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 593 1 35 LYS H 1 35 LYS HB3 . . 3.900 2.327 1.967 2.931 . 0 0 "[ . 1 . 2 . 3 ]" 1 594 1 35 LYS H 1 35 LYS QD . . 4.800 4.435 3.379 4.838 0.038 24 0 "[ . 1 . 2 . 3 ]" 1 595 1 35 LYS H 1 35 LYS QE . . 5.220 4.460 3.412 5.426 0.206 19 0 "[ . 1 . 2 . 3 ]" 1 596 1 35 LYS H 1 35 LYS HG2 . . 4.520 4.023 2.501 4.466 . 0 0 "[ . 1 . 2 . 3 ]" 1 597 1 35 LYS H 1 35 LYS QG . . 3.920 3.630 2.421 3.959 0.039 20 0 "[ . 1 . 2 . 3 ]" 1 598 1 35 LYS H 1 35 LYS HG3 . . 4.520 4.229 2.467 4.542 0.022 18 0 "[ . 1 . 2 . 3 ]" 1 599 1 35 LYS H 1 36 GLU H . . 4.220 2.761 2.635 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 600 1 35 LYS H 1 36 GLU HB2 . . 5.220 4.917 4.396 5.401 0.181 22 0 "[ . 1 . 2 . 3 ]" 1 601 1 35 LYS H 1 36 GLU HB3 . . 5.220 5.123 4.457 5.416 0.196 24 0 "[ . 1 . 2 . 3 ]" 1 602 1 35 LYS H 1 38 ILE MD . . 5.220 4.580 3.879 5.232 0.012 26 0 "[ . 1 . 2 . 3 ]" 1 603 1 35 LYS HA 1 35 LYS QD . . 4.630 4.130 2.892 4.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 604 1 35 LYS HA 1 35 LYS QE . . 5.220 4.077 3.567 5.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 605 1 35 LYS HA 1 38 ILE H . . 4.670 3.812 3.175 4.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 606 1 35 LYS HA 1 38 ILE HB . . 5.220 3.211 2.494 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 607 1 35 LYS HA 1 38 ILE MD . . 5.220 3.023 2.082 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 608 1 35 LYS HA 1 38 ILE QG . . 4.620 4.139 2.495 4.644 0.024 9 0 "[ . 1 . 2 . 3 ]" 1 609 1 35 LYS HA 1 38 ILE MG . . 5.220 4.432 3.553 5.238 0.018 20 0 "[ . 1 . 2 . 3 ]" 1 610 1 35 LYS HA 1 39 LYS H . . 5.220 4.735 3.890 5.275 0.055 19 0 "[ . 1 . 2 . 3 ]" 1 611 1 35 LYS HA 1 56 MET ME . . 4.090 2.629 1.748 3.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 612 1 35 LYS QB 1 35 LYS QD . . 3.350 2.345 2.143 2.980 . 0 0 "[ . 1 . 2 . 3 ]" 1 613 1 35 LYS QB 1 36 GLU H . . 3.790 2.977 2.423 3.817 0.027 11 0 "[ . 1 . 2 . 3 ]" 1 614 1 35 LYS HB2 1 36 GLU H . . 4.360 4.095 3.563 4.407 0.047 25 0 "[ . 1 . 2 . 3 ]" 1 615 1 35 LYS HB3 1 36 GLU H . . 4.360 3.092 2.451 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 616 1 35 LYS QD 1 36 GLU H . . 4.590 4.249 2.610 4.721 0.131 29 0 "[ . 1 . 2 . 3 ]" 1 617 1 35 LYS QE 1 35 LYS QG . . 3.380 2.297 2.041 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 618 1 35 LYS QE 1 56 MET ME . . 3.700 3.527 2.086 3.863 0.163 12 0 "[ . 1 . 2 . 3 ]" 1 619 1 35 LYS QG 1 36 GLU H . . 4.530 3.551 2.458 4.529 . 0 0 "[ . 1 . 2 . 3 ]" 1 620 1 35 LYS QG 1 56 MET ME . . 3.430 2.705 1.786 3.574 0.144 23 0 "[ . 1 . 2 . 3 ]" 1 621 1 35 LYS HG2 1 36 GLU H . . 5.220 3.868 2.576 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 622 1 35 LYS HG3 1 36 GLU H . . 5.220 4.441 2.479 5.261 0.041 31 0 "[ . 1 . 2 . 3 ]" 1 623 1 36 GLU H 1 36 GLU HB2 . . 3.980 2.397 2.049 2.820 . 0 0 "[ . 1 . 2 . 3 ]" 1 624 1 36 GLU H 1 36 GLU QB . . 3.490 2.183 2.014 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 625 1 36 GLU H 1 36 GLU HB3 . . 3.980 2.610 2.176 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 626 1 36 GLU H 1 36 GLU HG2 . . 4.660 4.540 4.229 4.661 0.001 9 0 "[ . 1 . 2 . 3 ]" 1 627 1 36 GLU H 1 36 GLU QG . . 4.010 4.000 3.847 4.062 0.052 11 0 "[ . 1 . 2 . 3 ]" 1 628 1 36 GLU H 1 36 GLU HG3 . . 4.660 4.448 4.260 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 629 1 36 GLU H 1 37 LEU H . . 4.220 2.662 2.487 2.925 . 0 0 "[ . 1 . 2 . 3 ]" 1 630 1 36 GLU H 1 37 LEU HA . . 5.220 5.284 5.133 5.470 0.250 3 0 "[ . 1 . 2 . 3 ]" 1 631 1 36 GLU H 1 38 ILE H . . 4.970 4.252 3.875 4.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 632 1 36 GLU HA 1 36 GLU QG . . 3.640 2.693 2.264 3.042 . 0 0 "[ . 1 . 2 . 3 ]" 1 633 1 36 GLU HA 1 39 LYS H . . 4.510 3.510 2.993 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 634 1 36 GLU HB2 1 37 LEU H . . 4.270 3.758 3.166 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 635 1 36 GLU HB3 1 37 LEU H . . 4.270 2.552 2.173 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 636 1 36 GLU QG 1 37 LEU H . . 4.390 3.761 3.046 4.173 . 0 0 "[ . 1 . 2 . 3 ]" 1 637 1 36 GLU QG 1 40 LYS QE . . 3.680 2.702 1.739 3.744 0.064 17 0 "[ . 1 . 2 . 3 ]" 1 638 1 36 GLU QG 1 40 LYS QG . . 3.930 2.757 1.884 3.947 0.017 15 0 "[ . 1 . 2 . 3 ]" 1 639 1 36 GLU HG2 1 37 LEU H . . 5.050 4.571 3.160 5.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 640 1 36 GLU HG2 1 40 LYS QD . . 4.190 4.082 2.724 4.490 0.300 8 0 "[ . 1 . 2 . 3 ]" 1 641 1 36 GLU HG3 1 37 LEU H . . 5.050 4.075 3.171 4.672 . 0 0 "[ . 1 . 2 . 3 ]" 1 642 1 36 GLU HG3 1 40 LYS QD . . 4.190 2.950 2.172 4.251 0.061 2 0 "[ . 1 . 2 . 3 ]" 1 643 1 37 LEU H 1 37 LEU MD1 . . 4.380 4.270 3.876 4.396 0.016 28 0 "[ . 1 . 2 . 3 ]" 1 644 1 37 LEU H 1 37 LEU MD2 . . 4.380 4.085 3.891 4.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 645 1 37 LEU H 1 37 LEU HG . . 5.160 4.191 3.376 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1 646 1 37 LEU H 1 38 ILE H . . 4.630 2.954 2.787 3.143 . 0 0 "[ . 1 . 2 . 3 ]" 1 647 1 37 LEU H 1 39 LYS H . . 5.100 4.364 4.103 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 648 1 37 LEU HA 1 40 LYS H . . 5.200 3.523 2.984 4.074 . 0 0 "[ . 1 . 2 . 3 ]" 1 649 1 37 LEU HA 1 40 LYS HB2 . . 4.990 2.750 2.110 3.397 . 0 0 "[ . 1 . 2 . 3 ]" 1 650 1 37 LEU HA 1 40 LYS HB3 . . 4.990 4.203 3.540 4.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 651 1 37 LEU HA 1 41 GLU H . . 4.960 3.633 3.071 4.382 . 0 0 "[ . 1 . 2 . 3 ]" 1 652 1 37 LEU HA 1 41 GLU HG2 . . 5.220 4.354 2.709 5.306 0.086 11 0 "[ . 1 . 2 . 3 ]" 1 653 1 37 LEU HA 1 41 GLU HG3 . . 5.220 4.194 3.474 5.293 0.073 5 0 "[ . 1 . 2 . 3 ]" 1 654 1 37 LEU QB 1 38 ILE H . . 4.190 2.643 2.369 3.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 655 1 37 LEU QD 1 38 ILE H . . 4.270 3.627 2.956 4.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 656 1 37 LEU QD 1 38 ILE HA . . 4.800 3.730 2.694 4.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 657 1 37 LEU QD 1 41 GLU H . . 4.950 3.342 2.849 3.882 . 0 0 "[ . 1 . 2 . 3 ]" 1 658 1 37 LEU QD 1 41 GLU QG . . 5.900 2.194 1.849 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 659 1 37 LEU QD 1 72 TYR HH . . 6.180 2.871 1.916 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 660 1 37 LEU HG 1 41 GLU H . . 5.220 5.006 4.396 5.336 0.116 24 0 "[ . 1 . 2 . 3 ]" 1 661 1 38 ILE H 1 38 ILE MD . . 4.520 3.359 2.650 3.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 662 1 38 ILE H 1 38 ILE HG12 . . 4.270 3.543 2.029 3.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 663 1 38 ILE H 1 38 ILE QG . . 3.730 2.187 2.018 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 664 1 38 ILE H 1 38 ILE HG13 . . 4.270 2.257 2.035 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 665 1 38 ILE H 1 38 ILE MG . . 4.470 3.749 3.690 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 666 1 38 ILE H 1 39 LYS H . . 4.220 2.801 2.437 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 667 1 38 ILE HA 1 38 ILE MD . . 4.740 3.791 2.438 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 668 1 38 ILE HA 1 40 LYS H . . 5.220 4.143 3.582 4.862 . 0 0 "[ . 1 . 2 . 3 ]" 1 669 1 38 ILE HA 1 41 GLU H . . 5.050 4.048 3.244 4.739 . 0 0 "[ . 1 . 2 . 3 ]" 1 670 1 38 ILE HA 1 42 LEU H . . 4.660 3.509 2.737 4.807 0.147 23 0 "[ . 1 . 2 . 3 ]" 1 671 1 38 ILE HB 1 39 LYS H . . 4.710 3.057 2.656 3.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 672 1 38 ILE HB 1 39 LYS HA . . 5.220 4.865 4.502 5.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 673 1 38 ILE HB 1 75 PHE QD . . 6.270 5.219 4.438 5.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 674 1 38 ILE HB 1 75 PHE QE . . 4.440 4.287 3.257 4.522 0.082 23 0 "[ . 1 . 2 . 3 ]" 1 675 1 38 ILE MD 1 39 LYS H . . 4.950 4.869 4.516 5.050 0.100 31 0 "[ . 1 . 2 . 3 ]" 1 676 1 38 ILE MD 1 56 MET ME . . 4.360 3.314 1.977 4.387 0.027 15 0 "[ . 1 . 2 . 3 ]" 1 677 1 38 ILE MD 1 75 PHE QD . . 4.870 2.387 1.993 2.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 678 1 38 ILE MD 1 75 PHE QE . . 4.920 2.564 1.952 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1 679 1 38 ILE QG 1 39 LYS H . . 4.410 4.305 4.053 4.426 0.016 31 0 "[ . 1 . 2 . 3 ]" 1 680 1 38 ILE QG 1 75 PHE QD . . 4.950 4.039 3.083 4.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 681 1 38 ILE QG 1 75 PHE QE . . 4.880 4.379 2.714 4.895 0.015 20 0 "[ . 1 . 2 . 3 ]" 1 682 1 38 ILE HG12 1 75 PHE QD . . 5.710 4.320 3.392 5.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 683 1 38 ILE HG12 1 75 PHE QE . . 5.560 4.793 3.462 5.529 . 0 0 "[ . 1 . 2 . 3 ]" 1 684 1 38 ILE HG13 1 75 PHE QD . . 5.710 5.019 3.136 5.527 . 0 0 "[ . 1 . 2 . 3 ]" 1 685 1 38 ILE HG13 1 75 PHE QE . . 5.560 5.183 2.739 5.598 0.038 2 0 "[ . 1 . 2 . 3 ]" 1 686 1 38 ILE MG 1 39 LYS H . . 4.660 3.599 3.150 4.190 . 0 0 "[ . 1 . 2 . 3 ]" 1 687 1 39 LYS H 1 39 LYS HB2 . . 3.390 2.175 2.012 2.379 . 0 0 "[ . 1 . 2 . 3 ]" 1 688 1 39 LYS H 1 39 LYS HB3 . . 3.390 3.415 2.919 3.572 0.182 24 0 "[ . 1 . 2 . 3 ]" 1 689 1 39 LYS H 1 39 LYS QD . . 4.440 3.928 2.673 4.577 0.137 13 0 "[ . 1 . 2 . 3 ]" 1 690 1 39 LYS H 1 39 LYS QE . . 5.220 4.914 4.586 5.374 0.154 12 0 "[ . 1 . 2 . 3 ]" 1 691 1 39 LYS H 1 39 LYS HG2 . . 4.520 3.619 2.504 4.582 0.062 30 0 "[ . 1 . 2 . 3 ]" 1 692 1 39 LYS H 1 39 LYS QG . . 3.730 3.341 2.459 3.974 0.244 30 0 "[ . 1 . 2 . 3 ]" 1 693 1 39 LYS H 1 39 LYS HG3 . . 4.520 4.149 2.959 4.538 0.018 23 0 "[ . 1 . 2 . 3 ]" 1 694 1 39 LYS H 1 40 LYS H . . 4.190 2.541 2.144 2.938 . 0 0 "[ . 1 . 2 . 3 ]" 1 695 1 39 LYS H 1 41 GLU H . . 5.220 4.411 4.097 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 696 1 39 LYS H 1 56 MET ME . . 4.800 4.058 2.921 4.856 0.056 9 0 "[ . 1 . 2 . 3 ]" 1 697 1 39 LYS HA 1 39 LYS QD . . 3.560 2.347 1.949 3.755 0.195 10 0 "[ . 1 . 2 . 3 ]" 1 698 1 39 LYS HA 1 39 LYS QE . . 4.020 3.292 2.058 4.088 0.068 10 0 "[ . 1 . 2 . 3 ]" 1 699 1 39 LYS HA 1 39 LYS HG2 . . 3.840 2.865 2.102 3.655 . 0 0 "[ . 1 . 2 . 3 ]" 1 700 1 39 LYS HA 1 39 LYS QG . . 3.300 2.477 1.932 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1 701 1 39 LYS HA 1 39 LYS HG3 . . 3.840 3.212 2.087 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 702 1 39 LYS HA 1 41 GLU H . . 5.220 4.842 4.056 5.340 0.120 31 0 "[ . 1 . 2 . 3 ]" 1 703 1 39 LYS HA 1 42 LEU H . . 5.220 4.143 3.251 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 704 1 39 LYS QB 1 39 LYS QD . . 2.990 2.611 2.116 2.994 0.004 21 0 "[ . 1 . 2 . 3 ]" 1 705 1 39 LYS QB 1 40 LYS H . . 3.900 3.329 2.979 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 706 1 39 LYS HB2 1 40 LYS H . . 4.510 3.650 3.072 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 707 1 39 LYS HB3 1 40 LYS H . . 4.510 3.886 3.182 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1 708 1 39 LYS QD 1 39 LYS QE . . 2.300 2.081 2.000 2.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 709 1 39 LYS QE 1 39 LYS QG . . 3.170 2.314 2.017 2.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 710 1 40 LYS H 1 40 LYS QB . . 3.490 2.276 2.073 2.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 711 1 40 LYS H 1 40 LYS QD . . 4.300 3.657 2.777 4.434 0.134 15 0 "[ . 1 . 2 . 3 ]" 1 712 1 40 LYS H 1 40 LYS HG2 . . 4.340 3.509 2.417 4.355 0.015 27 0 "[ . 1 . 2 . 3 ]" 1 713 1 40 LYS H 1 40 LYS QG . . 3.790 3.165 2.386 3.878 0.088 7 0 "[ . 1 . 2 . 3 ]" 1 714 1 40 LYS H 1 40 LYS HG3 . . 4.340 3.945 2.896 4.431 0.091 16 0 "[ . 1 . 2 . 3 ]" 1 715 1 40 LYS H 1 41 GLU H . . 4.140 2.398 2.063 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 716 1 40 LYS H 1 41 GLU QG . . 5.080 4.165 3.465 5.188 0.108 5 0 "[ . 1 . 2 . 3 ]" 1 717 1 40 LYS H 1 42 LEU H . . 4.930 3.620 2.843 4.419 . 0 0 "[ . 1 . 2 . 3 ]" 1 718 1 40 LYS HA 1 40 LYS QD . . 3.700 2.539 1.940 3.857 0.157 31 0 "[ . 1 . 2 . 3 ]" 1 719 1 40 LYS HA 1 40 LYS QE . . 4.560 3.879 2.115 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1 720 1 40 LYS HA 1 40 LYS HG2 . . 3.800 3.119 2.239 3.669 . 0 0 "[ . 1 . 2 . 3 ]" 1 721 1 40 LYS HA 1 40 LYS QG . . 3.110 2.631 2.151 3.187 0.077 10 0 "[ . 1 . 2 . 3 ]" 1 722 1 40 LYS HA 1 40 LYS HG3 . . 3.800 3.184 2.373 3.844 0.044 8 0 "[ . 1 . 2 . 3 ]" 1 723 1 40 LYS HA 1 42 LEU H . . 5.220 4.752 4.157 5.514 0.294 10 0 "[ . 1 . 2 . 3 ]" 1 724 1 40 LYS QB 1 40 LYS QE . . 3.540 3.438 1.865 3.640 0.100 3 0 "[ . 1 . 2 . 3 ]" 1 725 1 40 LYS QB 1 41 GLU H . . 3.960 2.477 1.982 2.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 726 1 40 LYS HB2 1 40 LYS QE . . 4.360 3.972 3.381 4.380 0.020 23 0 "[ . 1 . 2 . 3 ]" 1 727 1 40 LYS HB2 1 41 GLU H . . 4.670 2.594 2.008 3.143 . 0 0 "[ . 1 . 2 . 3 ]" 1 728 1 40 LYS HB3 1 40 LYS QE . . 4.360 3.842 1.874 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1 729 1 40 LYS HB3 1 41 GLU H . . 4.670 3.253 2.863 3.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 730 1 40 LYS QD 1 41 GLU H . . 4.620 4.709 4.531 4.924 0.304 25 0 "[ . 1 . 2 . 3 ]" 1 731 1 40 LYS QE 1 40 LYS HG2 . . 3.520 2.462 2.006 3.466 . 0 0 "[ . 1 . 2 . 3 ]" 1 732 1 40 LYS QE 1 40 LYS QG . . 2.840 2.127 1.928 2.419 . 0 0 "[ . 1 . 2 . 3 ]" 1 733 1 40 LYS QE 1 40 LYS HG3 . . 3.520 2.490 2.223 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 1 734 1 40 LYS HG2 1 41 GLU H . . 5.220 4.729 3.935 5.352 0.132 11 0 "[ . 1 . 2 . 3 ]" 1 735 1 40 LYS HG3 1 41 GLU H . . 5.220 4.839 4.340 5.283 0.063 25 0 "[ . 1 . 2 . 3 ]" 1 736 1 41 GLU H 1 41 GLU HG2 . . 5.050 3.121 2.062 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 737 1 41 GLU H 1 41 GLU QG . . 4.370 2.455 2.050 3.219 . 0 0 "[ . 1 . 2 . 3 ]" 1 738 1 41 GLU H 1 41 GLU HG3 . . 5.050 3.030 2.082 3.801 . 0 0 "[ . 1 . 2 . 3 ]" 1 739 1 41 GLU H 1 42 LEU H . . 4.060 2.466 1.952 2.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 740 1 41 GLU QB 1 42 LEU H . . 5.220 3.295 2.726 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1 741 1 41 GLU QG 1 42 LEU H . . 5.080 3.599 2.176 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 742 1 42 LEU H 1 42 LEU MD1 . . 4.720 4.342 3.153 4.774 0.054 2 0 "[ . 1 . 2 . 3 ]" 1 743 1 42 LEU H 1 42 LEU MD2 . . 4.720 4.204 3.150 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 744 1 42 LEU H 1 42 LEU HG . . 4.460 4.331 3.943 4.711 0.251 23 0 "[ . 1 . 2 . 3 ]" 1 745 1 42 LEU H 1 43 CYS H . . 4.340 4.266 2.216 4.624 0.284 10 0 "[ . 1 . 2 . 3 ]" 1 746 1 42 LEU HA 1 42 LEU QD . . 4.100 2.189 1.932 2.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 747 1 42 LEU QB 1 43 CYS H . . 4.060 3.302 2.280 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 748 1 42 LEU QB 1 43 CYS HA . . 4.880 4.331 3.315 4.890 0.010 14 0 "[ . 1 . 2 . 3 ]" 1 749 1 42 LEU QB 1 44 LEU QD . . 5.030 3.293 2.003 5.047 0.017 30 0 "[ . 1 . 2 . 3 ]" 1 750 1 42 LEU HB2 1 43 CYS H . . 4.810 4.314 3.538 4.730 . 0 0 "[ . 1 . 2 . 3 ]" 1 751 1 42 LEU HB3 1 43 CYS H . . 4.810 3.461 2.308 4.430 . 0 0 "[ . 1 . 2 . 3 ]" 1 752 1 42 LEU QD 1 43 CYS H . . 4.550 2.375 1.688 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1 753 1 42 LEU QD 1 43 CYS QB . . 4.600 3.902 2.911 4.638 0.038 13 0 "[ . 1 . 2 . 3 ]" 1 754 1 42 LEU QD 2 3 THR H . . 5.170 4.412 3.411 5.170 . 0 0 "[ . 1 . 2 . 3 ]" 1 755 1 42 LEU QD 2 3 THR HG1 . . 6.180 2.736 1.621 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 756 1 42 LEU QD 2 6 GLU H . . 4.410 3.107 2.092 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 757 1 42 LEU QD 2 6 GLU HA . . 4.090 2.833 2.073 3.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 758 1 42 LEU QD 2 6 GLU QB . . 5.030 2.255 1.917 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 759 1 42 LEU QD 2 6 GLU QG . . 4.310 3.194 2.193 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 760 1 42 LEU MD1 2 6 GLU HA . . 5.220 3.306 2.219 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 1 761 1 42 LEU MD1 2 6 GLU HG2 . . 5.940 4.629 3.124 5.742 . 0 0 "[ . 1 . 2 . 3 ]" 1 762 1 42 LEU MD1 2 6 GLU HG3 . . 5.940 4.818 2.712 5.945 0.005 19 0 "[ . 1 . 2 . 3 ]" 1 763 1 42 LEU MD2 2 6 GLU HA . . 5.220 3.422 2.145 5.238 0.018 25 0 "[ . 1 . 2 . 3 ]" 1 764 1 42 LEU MD2 2 6 GLU HG2 . . 5.940 4.014 2.298 5.970 0.030 25 0 "[ . 1 . 2 . 3 ]" 1 765 1 42 LEU MD2 2 6 GLU HG3 . . 5.940 4.170 2.362 5.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 766 1 42 LEU HG 1 43 CYS H . . 4.290 4.017 2.301 4.565 0.275 8 0 "[ . 1 . 2 . 3 ]" 1 767 1 43 CYS H 1 44 LEU H . . 4.600 3.521 2.345 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 768 1 43 CYS H 2 3 THR MG . . 5.610 2.761 1.823 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1 769 1 43 CYS HA 1 44 LEU HA . . 5.040 4.748 4.416 5.316 0.276 28 0 "[ . 1 . 2 . 3 ]" 1 770 1 43 CYS HA 1 45 GLY H . . 5.070 4.114 3.261 5.307 0.237 8 0 "[ . 1 . 2 . 3 ]" 1 771 1 43 CYS QB 1 44 LEU H . . 4.110 3.287 1.682 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 772 1 43 CYS QB 1 45 GLY H . . 5.080 4.576 3.519 5.225 0.145 27 0 "[ . 1 . 2 . 3 ]" 1 773 1 43 CYS QB 2 3 THR MG . . 3.980 2.890 1.987 4.043 0.063 3 0 "[ . 1 . 2 . 3 ]" 1 774 1 43 CYS HB2 1 44 LEU H . . 4.680 4.157 3.319 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 775 1 43 CYS HB2 2 3 THR MG . . 4.630 3.429 2.006 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 776 1 43 CYS HB3 1 44 LEU H . . 4.680 3.565 1.687 4.691 0.011 16 0 "[ . 1 . 2 . 3 ]" 1 777 1 43 CYS HB3 2 3 THR MG . . 4.630 3.393 2.075 4.662 0.032 28 0 "[ . 1 . 2 . 3 ]" 1 778 1 44 LEU H 1 44 LEU MD1 . . 5.030 3.487 1.968 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 779 1 44 LEU H 1 44 LEU MD2 . . 5.030 3.894 1.942 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1 780 1 44 LEU H 1 44 LEU HG . . 4.190 3.335 1.842 4.349 0.159 16 0 "[ . 1 . 2 . 3 ]" 1 781 1 44 LEU H 1 47 MET ME . . 4.710 4.526 3.531 5.000 0.290 19 0 "[ . 1 . 2 . 3 ]" 1 782 1 44 LEU HA 1 44 LEU QD . . 4.090 2.460 1.965 3.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 783 1 44 LEU QB 1 45 GLY H . . 4.000 3.434 1.869 4.060 0.060 7 0 "[ . 1 . 2 . 3 ]" 1 784 1 44 LEU QB 1 47 MET ME . . 4.480 3.470 1.796 4.513 0.033 10 0 "[ . 1 . 2 . 3 ]" 1 785 1 44 LEU HB2 1 45 GLY H . . 4.560 3.857 1.949 4.682 0.122 22 0 "[ . 1 . 2 . 3 ]" 1 786 1 44 LEU HB3 1 45 GLY H . . 4.560 4.017 2.350 4.648 0.088 7 0 "[ . 1 . 2 . 3 ]" 1 787 1 44 LEU QD 1 45 GLY H . . 4.470 3.881 1.818 4.715 0.245 20 0 "[ . 1 . 2 . 3 ]" 1 788 1 44 LEU QD 1 47 MET ME . . 5.170 2.220 1.626 3.408 . 0 0 "[ . 1 . 2 . 3 ]" 1 789 1 44 LEU QD 1 47 MET QG . . 5.970 4.057 1.998 5.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 790 1 44 LEU QD 1 83 TYR QD . . 5.260 3.874 2.820 5.283 0.023 5 0 "[ . 1 . 2 . 3 ]" 1 791 1 44 LEU QD 1 83 TYR QE . . 4.910 2.595 2.006 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 792 1 44 LEU MD1 1 45 GLY H . . 5.220 4.547 1.819 5.545 0.325 20 0 "[ . 1 . 2 . 3 ]" 1 793 1 44 LEU MD1 1 83 TYR QD . . 5.970 4.902 3.479 6.014 0.044 27 0 "[ . 1 . 2 . 3 ]" 1 794 1 44 LEU MD1 1 83 TYR QE . . 5.960 3.394 2.046 5.035 . 0 0 "[ . 1 . 2 . 3 ]" 1 795 1 44 LEU MD2 1 45 GLY H . . 5.220 4.658 2.665 5.392 0.172 12 0 "[ . 1 . 2 . 3 ]" 1 796 1 44 LEU MD2 1 83 TYR QD . . 5.970 4.397 2.886 5.991 0.021 20 0 "[ . 1 . 2 . 3 ]" 1 797 1 44 LEU MD2 1 83 TYR QE . . 5.960 3.098 2.079 4.813 . 0 0 "[ . 1 . 2 . 3 ]" 1 798 1 44 LEU HG 1 45 GLY H . . 4.810 4.541 3.488 5.211 0.401 14 0 "[ . 1 . 2 . 3 ]" 1 799 1 44 LEU HG 1 47 MET ME . . 3.710 3.307 2.016 3.863 0.153 27 0 "[ . 1 . 2 . 3 ]" 1 800 1 45 GLY H 1 46 GLU QB . . 5.080 4.753 3.732 5.453 0.373 20 0 "[ . 1 . 2 . 3 ]" 1 801 1 45 GLY H 1 46 GLU QG . . 5.080 4.375 2.735 5.473 0.393 20 0 "[ . 1 . 2 . 3 ]" 1 802 1 46 GLU H 1 46 GLU HG2 . . 4.170 2.959 1.817 4.321 0.151 8 0 "[ . 1 . 2 . 3 ]" 1 803 1 46 GLU H 1 46 GLU HG3 . . 4.170 3.774 2.465 4.422 0.252 1 0 "[ . 1 . 2 . 3 ]" 1 804 1 46 GLU H 1 47 MET H . . 4.330 2.458 1.615 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 805 1 46 GLU HA 1 46 GLU QG . . 3.500 3.463 3.320 3.587 0.087 4 0 "[ . 1 . 2 . 3 ]" 1 806 1 46 GLU QG 1 47 MET H . . 4.240 3.330 1.771 4.418 0.178 11 0 "[ . 1 . 2 . 3 ]" 1 807 1 47 MET H 1 47 MET QB . . 3.670 2.584 2.176 3.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 808 1 47 MET H 1 47 MET HG2 . . 4.660 3.675 1.911 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 809 1 47 MET H 1 47 MET QG . . 4.040 2.904 1.822 4.162 0.122 10 0 "[ . 1 . 2 . 3 ]" 1 810 1 47 MET H 1 47 MET HG3 . . 4.660 3.298 1.832 4.996 0.336 25 0 "[ . 1 . 2 . 3 ]" 1 811 1 47 MET H 1 48 LYS H . . 4.300 3.185 1.834 4.463 0.163 20 0 "[ . 1 . 2 . 3 ]" 1 812 1 47 MET HA 1 47 MET ME . . 4.270 4.250 2.288 4.426 0.156 29 0 "[ . 1 . 2 . 3 ]" 1 813 1 47 MET QB 1 48 LYS H . . 3.880 2.799 1.871 4.033 0.153 12 0 "[ . 1 . 2 . 3 ]" 1 814 1 47 MET ME 1 83 TYR QD . . 4.520 4.186 2.975 4.606 0.086 22 0 "[ . 1 . 2 . 3 ]" 1 815 1 47 MET ME 1 83 TYR QE . . 4.780 3.497 2.247 4.833 0.053 3 0 "[ . 1 . 2 . 3 ]" 1 816 1 47 MET HG2 1 48 LYS H . . 5.220 4.512 2.088 5.309 0.089 4 0 "[ . 1 . 2 . 3 ]" 1 817 1 47 MET HG3 1 48 LYS H . . 5.220 4.404 2.527 5.363 0.143 31 0 "[ . 1 . 2 . 3 ]" 1 818 1 48 LYS H 1 48 LYS HB2 . . 3.690 2.687 1.986 3.969 0.279 12 0 "[ . 1 . 2 . 3 ]" 1 819 1 48 LYS H 1 48 LYS HB3 . . 3.690 3.434 2.480 4.012 0.322 17 0 "[ . 1 . 2 . 3 ]" 1 820 1 48 LYS H 1 48 LYS QD . . 4.200 3.368 1.440 4.532 0.332 24 0 "[ . 1 . 2 . 3 ]" 1 821 1 48 LYS H 1 48 LYS HG2 . . 4.240 3.736 2.553 4.803 0.563 1 1 "[+ . 1 . 2 . 3 ]" 1 822 1 48 LYS H 1 48 LYS HG3 . . 4.240 3.924 2.524 4.751 0.511 20 1 "[ . 1 . + . 3 ]" 1 823 1 48 LYS H 1 49 GLU H . . 4.570 4.277 2.010 4.694 0.124 27 0 "[ . 1 . 2 . 3 ]" 1 824 1 48 LYS HA 1 48 LYS QD . . 3.690 2.937 1.949 4.214 0.524 12 1 "[ . 1 + . 2 . 3 ]" 1 825 1 48 LYS HA 1 48 LYS QE . . 4.700 3.613 2.035 4.839 0.139 13 0 "[ . 1 . 2 . 3 ]" 1 826 1 48 LYS HA 1 48 LYS QG . . 3.640 2.669 2.102 3.532 . 0 0 "[ . 1 . 2 . 3 ]" 1 827 1 48 LYS QB 1 48 LYS QE . . 3.040 2.273 1.957 3.250 0.210 23 0 "[ . 1 . 2 . 3 ]" 1 828 1 48 LYS QB 1 49 GLU H . . 3.980 3.047 1.850 4.011 0.031 24 0 "[ . 1 . 2 . 3 ]" 1 829 1 48 LYS QB 1 83 TYR QE . . 4.490 4.112 2.707 4.577 0.087 4 0 "[ . 1 . 2 . 3 ]" 1 830 1 48 LYS HB2 1 48 LYS QE . . 3.630 2.792 1.985 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1 831 1 48 LYS HB2 1 49 GLU H . . 4.610 3.916 2.236 4.669 0.059 21 0 "[ . 1 . 2 . 3 ]" 1 832 1 48 LYS HB2 1 83 TYR QD . . 5.300 3.785 2.132 5.016 . 0 0 "[ . 1 . 2 . 3 ]" 1 833 1 48 LYS HB2 1 83 TYR QE . . 5.150 4.569 2.763 5.275 0.125 24 0 "[ . 1 . 2 . 3 ]" 1 834 1 48 LYS HB3 1 48 LYS QE . . 3.630 2.990 1.972 3.891 0.261 1 0 "[ . 1 . 2 . 3 ]" 1 835 1 48 LYS HB3 1 49 GLU H . . 4.610 3.333 1.861 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 836 1 48 LYS HB3 1 83 TYR QD . . 5.300 3.799 2.609 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1 837 1 48 LYS HB3 1 83 TYR QE . . 5.150 4.894 3.857 5.293 0.143 31 0 "[ . 1 . 2 . 3 ]" 1 838 1 48 LYS QD 1 83 TYR QD . . 5.430 3.870 2.731 5.604 0.174 12 0 "[ . 1 . 2 . 3 ]" 1 839 1 48 LYS QD 1 83 TYR QE . . 5.720 4.955 2.400 5.888 0.168 24 0 "[ . 1 . 2 . 3 ]" 1 840 1 48 LYS QE 1 48 LYS QG . . 3.390 2.433 1.854 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1 841 1 48 LYS QE 1 83 TYR QD . . 5.530 3.569 2.030 5.611 0.081 13 0 "[ . 1 . 2 . 3 ]" 1 842 1 48 LYS QE 1 83 TYR QE . . 5.830 4.636 2.023 5.894 0.064 23 0 "[ . 1 . 2 . 3 ]" 1 843 1 48 LYS QG 1 49 GLU H . . 4.520 3.836 1.693 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 844 1 48 LYS HG2 1 49 GLU H . . 5.220 4.690 2.994 5.542 0.322 21 0 "[ . 1 . 2 . 3 ]" 1 845 1 48 LYS HG3 1 49 GLU H . . 5.220 4.264 1.697 5.368 0.148 20 0 "[ . 1 . 2 . 3 ]" 1 846 1 49 GLU H 1 49 GLU QB . . 3.620 2.774 2.000 3.371 . 0 0 "[ . 1 . 2 . 3 ]" 1 847 1 49 GLU H 1 49 GLU HG2 . . 4.560 3.829 3.334 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 848 1 49 GLU H 1 49 GLU HG3 . . 4.560 2.995 2.027 4.806 0.246 24 0 "[ . 1 . 2 . 3 ]" 1 849 1 49 GLU HA 1 49 GLU QG . . 3.450 2.906 2.130 3.562 0.112 17 0 "[ . 1 . 2 . 3 ]" 1 850 1 49 GLU HB2 1 50 SER H . . 4.270 2.977 1.704 4.277 0.007 20 0 "[ . 1 . 2 . 3 ]" 1 851 1 49 GLU HB3 1 50 SER H . . 4.270 3.241 1.791 4.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 852 1 49 GLU QG 1 50 SER H . . 4.540 3.560 2.795 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1 853 1 49 GLU HG2 1 50 SER H . . 5.220 3.984 2.863 5.229 0.009 30 0 "[ . 1 . 2 . 3 ]" 1 854 1 49 GLU HG3 1 50 SER H . . 5.220 4.137 3.127 5.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 855 1 50 SER H 1 50 SER HB2 . . 3.870 2.929 2.284 3.906 0.036 7 0 "[ . 1 . 2 . 3 ]" 1 856 1 50 SER H 1 50 SER HB3 . . 3.870 3.262 2.460 4.130 0.260 20 0 "[ . 1 . 2 . 3 ]" 1 857 1 50 SER H 1 50 SER HG . . 5.220 4.096 3.111 5.260 0.040 30 0 "[ . 1 . 2 . 3 ]" 1 858 1 50 SER H 1 51 SER H . . 4.610 3.838 2.211 4.648 0.038 10 0 "[ . 1 . 2 . 3 ]" 1 859 1 50 SER H 1 52 ILE H . . 5.220 4.420 2.370 5.429 0.209 12 0 "[ . 1 . 2 . 3 ]" 1 860 1 50 SER HA 1 53 ASP H . . 4.140 3.461 2.699 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 861 1 50 SER HA 1 53 ASP HB2 . . 4.460 3.691 2.040 4.528 0.068 15 0 "[ . 1 . 2 . 3 ]" 1 862 1 50 SER HA 1 53 ASP QB . . 3.910 3.225 2.030 3.975 0.065 6 0 "[ . 1 . 2 . 3 ]" 1 863 1 50 SER HA 1 53 ASP HB3 . . 4.460 3.872 2.176 4.631 0.171 3 0 "[ . 1 . 2 . 3 ]" 1 864 1 50 SER QB 1 51 SER H . . 4.150 2.915 2.001 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 865 1 50 SER HB2 1 51 SER H . . 4.950 3.583 2.343 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 866 1 50 SER HB3 1 51 SER H . . 4.950 3.314 2.014 4.630 . 0 0 "[ . 1 . 2 . 3 ]" 1 867 1 51 SER H 1 52 ILE H . . 4.700 3.159 1.810 3.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 868 1 51 SER HA 1 53 ASP H . . 5.220 4.103 3.399 5.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 869 1 51 SER HA 1 54 ASP H . . 5.010 3.553 2.629 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 870 1 51 SER HA 1 54 ASP HB2 . . 4.280 4.048 2.487 4.398 0.118 28 0 "[ . 1 . 2 . 3 ]" 1 871 1 51 SER HA 1 54 ASP QB . . 3.710 3.392 2.266 3.832 0.122 11 0 "[ . 1 . 2 . 3 ]" 1 872 1 51 SER HA 1 54 ASP HB3 . . 4.280 3.704 2.358 4.321 0.041 5 0 "[ . 1 . 2 . 3 ]" 1 873 1 51 SER QB 1 52 ILE H . . 4.650 2.958 2.271 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 874 1 52 ILE H 1 52 ILE MD . . 5.160 3.953 3.172 4.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 875 1 52 ILE H 1 52 ILE HG12 . . 4.680 3.736 3.058 4.600 . 0 0 "[ . 1 . 2 . 3 ]" 1 876 1 52 ILE H 1 52 ILE HG13 . . 4.680 2.899 2.024 4.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 877 1 52 ILE H 1 53 ASP H . . 4.350 2.605 1.950 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 878 1 52 ILE H 1 54 ASP H . . 5.220 4.387 3.697 4.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 879 1 52 ILE HA 1 55 LEU QD . . 4.980 2.650 2.104 4.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 880 1 52 ILE HB 1 53 ASP H . . 4.800 4.166 3.729 4.477 . 0 0 "[ . 1 . 2 . 3 ]" 1 881 1 52 ILE MD 1 53 ASP H . . 5.110 3.310 2.170 4.890 . 0 0 "[ . 1 . 2 . 3 ]" 1 882 1 52 ILE MD 1 53 ASP HA . . 5.220 3.101 2.364 5.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 883 1 52 ILE MD 1 56 MET H . . 5.220 4.307 3.225 5.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 884 1 52 ILE MD 1 56 MET HB2 . . 5.220 4.154 3.082 5.299 0.079 19 0 "[ . 1 . 2 . 3 ]" 1 885 1 52 ILE MD 1 56 MET HB3 . . 5.220 4.875 3.998 5.324 0.104 30 0 "[ . 1 . 2 . 3 ]" 1 886 1 52 ILE QG 1 53 ASP H . . 5.080 2.895 2.100 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1 887 1 52 ILE MG 1 53 ASP H . . 5.020 3.685 2.373 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 888 1 52 ILE MG 1 79 LEU HA . . 5.220 4.177 2.677 5.281 0.061 23 0 "[ . 1 . 2 . 3 ]" 1 889 1 52 ILE MG 1 83 TYR QD . . 5.220 3.985 2.162 5.342 0.122 19 0 "[ . 1 . 2 . 3 ]" 1 890 1 52 ILE MG 1 83 TYR QE . . 5.870 4.042 1.993 5.878 0.008 13 0 "[ . 1 . 2 . 3 ]" 1 891 1 53 ASP H 1 53 ASP HB2 . . 3.890 2.474 2.106 2.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 892 1 53 ASP H 1 53 ASP HB3 . . 3.890 2.812 2.322 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 893 1 53 ASP H 1 54 ASP H . . 3.960 2.700 2.250 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 894 1 53 ASP HA 1 55 LEU H . . 5.220 4.312 3.842 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 895 1 53 ASP HA 1 56 MET H . . 4.270 3.196 2.401 3.991 . 0 0 "[ . 1 . 2 . 3 ]" 1 896 1 53 ASP HA 1 56 MET HB2 . . 5.220 2.484 1.934 5.227 0.007 19 0 "[ . 1 . 2 . 3 ]" 1 897 1 53 ASP HA 1 56 MET HB3 . . 5.220 4.003 3.587 4.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 898 1 53 ASP HA 1 56 MET QG . . 4.190 2.860 1.959 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 899 1 53 ASP QB 1 54 ASP H . . 3.520 2.884 2.395 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 900 1 53 ASP HB2 1 54 ASP H . . 4.260 3.887 2.651 4.268 0.008 10 0 "[ . 1 . 2 . 3 ]" 1 901 1 53 ASP HB3 1 54 ASP H . . 4.260 3.089 2.418 4.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 902 1 54 ASP H 1 54 ASP HB2 . . 3.590 2.551 2.222 2.873 . 0 0 "[ . 1 . 2 . 3 ]" 1 903 1 54 ASP H 1 54 ASP HB3 . . 3.590 2.665 2.352 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 904 1 54 ASP H 1 55 LEU H . . 3.810 2.747 2.553 3.068 . 0 0 "[ . 1 . 2 . 3 ]" 1 905 1 54 ASP HA 1 57 LYS H . . 4.390 3.308 2.566 3.881 . 0 0 "[ . 1 . 2 . 3 ]" 1 906 1 54 ASP HA 1 58 SER H . . 4.660 4.079 3.507 4.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 907 1 54 ASP QB 1 55 LEU QD . . 5.620 3.555 3.043 4.241 . 0 0 "[ . 1 . 2 . 3 ]" 1 908 1 54 ASP HB2 1 55 LEU H . . 4.080 3.945 3.748 4.192 0.112 30 0 "[ . 1 . 2 . 3 ]" 1 909 1 54 ASP HB3 1 55 LEU H . . 4.080 2.735 2.314 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 910 1 55 LEU H 1 55 LEU QB . . 3.530 2.477 2.204 2.719 . 0 0 "[ . 1 . 2 . 3 ]" 1 911 1 55 LEU H 1 55 LEU MD1 . . 5.220 3.598 3.357 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 912 1 55 LEU H 1 55 LEU QD . . 3.810 2.955 2.291 3.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 913 1 55 LEU H 1 55 LEU MD2 . . 5.220 3.181 2.303 3.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 914 1 55 LEU H 1 55 LEU HG . . 3.790 2.207 2.028 3.786 . 0 0 "[ . 1 . 2 . 3 ]" 1 915 1 55 LEU H 1 56 MET H . . 4.030 2.781 2.611 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 916 1 55 LEU H 1 56 MET QG . . 5.080 4.550 4.078 5.053 . 0 0 "[ . 1 . 2 . 3 ]" 1 917 1 55 LEU H 1 75 PHE HZ . . 5.220 5.065 4.607 5.375 0.155 20 0 "[ . 1 . 2 . 3 ]" 1 918 1 55 LEU HA 1 55 LEU QD . . 4.090 2.107 2.006 2.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 919 1 55 LEU HA 1 75 PHE QE . . 4.750 3.525 2.896 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 920 1 55 LEU HA 1 75 PHE HZ . . 5.120 4.436 3.899 5.088 . 0 0 "[ . 1 . 2 . 3 ]" 1 921 1 55 LEU HA 1 78 MET ME . . 5.220 4.730 4.140 5.288 0.068 16 0 "[ . 1 . 2 . 3 ]" 1 922 1 55 LEU QB 1 56 MET H . . 3.540 2.542 2.210 2.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 923 1 55 LEU QB 1 75 PHE QD . . 4.510 3.619 3.281 3.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 924 1 55 LEU QB 1 75 PHE QE . . 4.260 2.415 2.150 2.754 . 0 0 "[ . 1 . 2 . 3 ]" 1 925 1 55 LEU QB 1 75 PHE HZ . . 4.690 2.602 2.249 3.117 . 0 0 "[ . 1 . 2 . 3 ]" 1 926 1 55 LEU HB2 1 56 MET H . . 4.230 2.593 2.310 2.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 927 1 55 LEU HB2 1 75 PHE QD . . 5.220 4.936 4.264 5.307 0.087 29 0 "[ . 1 . 2 . 3 ]" 1 928 1 55 LEU HB3 1 56 MET H . . 4.230 3.675 2.818 3.817 . 0 0 "[ . 1 . 2 . 3 ]" 1 929 1 55 LEU HB3 1 75 PHE QD . . 5.220 3.725 3.374 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 930 1 55 LEU QD 1 56 MET H . . 4.630 4.080 3.855 4.202 . 0 0 "[ . 1 . 2 . 3 ]" 1 931 1 55 LEU QD 1 58 SER H . . 4.850 4.690 4.397 4.848 . 0 0 "[ . 1 . 2 . 3 ]" 1 932 1 55 LEU QD 1 75 PHE QD . . 4.590 3.574 2.814 3.956 . 0 0 "[ . 1 . 2 . 3 ]" 1 933 1 55 LEU QD 1 75 PHE QE . . 4.440 3.317 2.874 3.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 934 1 55 LEU QD 1 75 PHE HZ . . 5.510 3.895 3.334 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 935 1 55 LEU QD 1 78 MET QB . . 4.310 3.026 2.430 3.700 . 0 0 "[ . 1 . 2 . 3 ]" 1 936 1 55 LEU QD 1 78 MET ME . . 3.870 2.087 1.741 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 937 1 55 LEU QD 1 78 MET QG . . 4.960 2.405 1.861 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 938 1 55 LEU MD1 1 75 PHE QD . . 5.220 3.946 2.867 4.276 . 0 0 "[ . 1 . 2 . 3 ]" 1 939 1 55 LEU MD1 1 75 PHE QE . . 5.070 3.693 2.921 4.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 940 1 55 LEU MD1 1 78 MET HB2 . . 5.780 4.192 2.893 5.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 941 1 55 LEU MD1 1 78 MET HB3 . . 5.780 3.272 2.522 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 942 1 55 LEU MD2 1 75 PHE QD . . 5.220 4.222 3.269 5.242 0.022 20 0 "[ . 1 . 2 . 3 ]" 1 943 1 55 LEU MD2 1 75 PHE QE . . 5.070 3.867 2.982 4.822 . 0 0 "[ . 1 . 2 . 3 ]" 1 944 1 55 LEU MD2 1 78 MET HB2 . . 5.780 4.874 3.398 5.822 0.042 4 0 "[ . 1 . 2 . 3 ]" 1 945 1 55 LEU MD2 1 78 MET HB3 . . 5.780 4.330 3.049 5.333 . 0 0 "[ . 1 . 2 . 3 ]" 1 946 1 55 LEU HG 1 56 MET H . . 4.300 4.300 3.798 4.522 0.222 20 0 "[ . 1 . 2 . 3 ]" 1 947 1 55 LEU HG 1 75 PHE QD . . 6.210 6.121 4.880 6.295 0.085 18 0 "[ . 1 . 2 . 3 ]" 1 948 1 55 LEU HG 1 75 PHE QE . . 5.930 5.066 4.552 5.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 949 1 55 LEU HG 1 75 PHE HZ . . 6.270 5.324 4.888 5.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 950 1 56 MET H 1 56 MET ME . . 4.800 4.208 3.376 4.855 0.055 17 0 "[ . 1 . 2 . 3 ]" 1 951 1 56 MET H 1 56 MET HG2 . . 3.850 2.432 2.016 3.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 952 1 56 MET H 1 56 MET QG . . 3.370 2.295 2.002 2.648 . 0 0 "[ . 1 . 2 . 3 ]" 1 953 1 56 MET H 1 56 MET HG3 . . 3.850 3.364 2.162 3.852 0.002 12 0 "[ . 1 . 2 . 3 ]" 1 954 1 56 MET H 1 57 LYS H . . 4.200 2.877 2.557 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1 955 1 56 MET H 1 58 SER H . . 5.220 4.083 3.811 4.351 . 0 0 "[ . 1 . 2 . 3 ]" 1 956 1 56 MET H 1 75 PHE QE . . 5.560 4.207 3.791 4.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 957 1 56 MET H 1 75 PHE HZ . . 5.220 3.274 2.812 3.994 . 0 0 "[ . 1 . 2 . 3 ]" 1 958 1 56 MET HA 1 56 MET ME . . 4.210 3.136 1.958 4.280 0.070 14 0 "[ . 1 . 2 . 3 ]" 1 959 1 56 MET HA 1 58 SER H . . 5.100 4.248 3.810 4.713 . 0 0 "[ . 1 . 2 . 3 ]" 1 960 1 56 MET HA 1 59 LEU H . . 4.930 3.535 3.075 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 961 1 56 MET HA 1 59 LEU QD . . 5.170 3.025 2.315 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 962 1 56 MET HA 1 75 PHE QE . . 4.770 3.734 2.991 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 963 1 56 MET HA 1 75 PHE HZ . . 4.480 2.839 2.211 3.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 964 1 56 MET HB2 1 56 MET ME . . 4.000 3.863 2.403 4.162 0.162 12 0 "[ . 1 . 2 . 3 ]" 1 965 1 56 MET HB2 1 57 LYS H . . 5.220 2.726 2.235 3.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 966 1 56 MET HB3 1 56 MET ME . . 4.000 3.172 2.059 4.042 0.042 22 0 "[ . 1 . 2 . 3 ]" 1 967 1 56 MET HB3 1 57 LYS H . . 5.220 3.565 2.961 3.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 968 1 56 MET ME 1 59 LEU QD . . 4.510 3.379 2.025 4.577 0.067 9 0 "[ . 1 . 2 . 3 ]" 1 969 1 56 MET ME 1 75 PHE QE . . 6.000 3.233 2.183 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 970 1 56 MET QG 1 57 LYS H . . 4.640 4.119 2.324 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 971 1 57 LYS H 1 57 LYS HB2 . . 3.690 2.350 2.095 3.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 972 1 57 LYS H 1 57 LYS HB3 . . 3.690 3.048 2.220 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 973 1 57 LYS H 1 57 LYS QD . . 5.500 3.601 2.084 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 974 1 57 LYS H 1 57 LYS QG . . 4.680 3.569 2.141 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 975 1 57 LYS H 1 58 SER H . . 3.950 2.642 2.218 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 976 1 57 LYS H 1 59 LEU H . . 5.220 4.272 3.905 4.677 . 0 0 "[ . 1 . 2 . 3 ]" 1 977 1 57 LYS HA 1 57 LYS QD . . 3.560 2.676 1.779 3.760 0.200 27 0 "[ . 1 . 2 . 3 ]" 1 978 1 57 LYS HA 1 57 LYS QE . . 4.440 3.795 2.017 4.600 0.160 27 0 "[ . 1 . 2 . 3 ]" 1 979 1 57 LYS HA 1 60 ASP H . . 4.050 3.266 2.722 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 980 1 57 LYS HA 1 60 ASP HB2 . . 4.270 2.801 1.955 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 981 1 57 LYS HA 1 60 ASP HB3 . . 4.270 2.879 1.976 4.319 0.049 25 0 "[ . 1 . 2 . 3 ]" 1 982 1 57 LYS QB 1 57 LYS QE . . 3.930 3.069 1.892 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 983 1 57 LYS QB 1 58 SER H . . 3.940 2.975 2.411 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 984 1 57 LYS QD 1 57 LYS QE . . 2.280 2.072 1.988 2.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 985 1 57 LYS QD 1 57 LYS QG . . 2.280 2.066 1.984 2.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 986 1 57 LYS QD 1 58 SER H . . 4.430 4.411 3.203 4.766 0.336 15 0 "[ . 1 . 2 . 3 ]" 1 987 1 57 LYS QG 1 58 SER H . . 4.760 4.439 2.573 4.878 0.118 24 0 "[ . 1 . 2 . 3 ]" 1 988 1 58 SER H 1 58 SER HB2 . . 3.890 2.410 2.164 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 989 1 58 SER H 1 58 SER HB3 . . 3.890 3.044 2.525 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1 990 1 58 SER H 1 59 LEU H . . 4.000 2.702 2.457 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1 991 1 58 SER H 1 59 LEU MD1 . . 6.270 5.581 5.127 6.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 992 1 58 SER H 1 59 LEU QD . . 4.980 4.776 4.161 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 993 1 58 SER H 1 59 LEU MD2 . . 6.270 5.215 4.266 5.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 994 1 58 SER H 1 60 ASP H . . 5.070 4.129 3.454 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 995 1 58 SER HA 1 59 LEU QD . . 5.170 5.038 4.389 5.231 0.061 29 0 "[ . 1 . 2 . 3 ]" 1 996 1 58 SER HA 1 61 LYS HB2 . . 4.920 2.940 1.841 4.930 0.010 16 0 "[ . 1 . 2 . 3 ]" 1 997 1 58 SER HA 1 61 LYS HB3 . . 4.920 3.947 2.323 4.975 0.055 5 0 "[ . 1 . 2 . 3 ]" 1 998 1 59 LEU H 1 59 LEU MD1 . . 4.300 3.774 3.643 4.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 999 1 59 LEU H 1 59 LEU MD2 . . 4.300 3.264 2.855 3.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 1000 1 59 LEU H 1 59 LEU HG . . 3.790 2.413 2.135 2.841 . 0 0 "[ . 1 . 2 . 3 ]" 1 1001 1 59 LEU H 1 60 ASP H . . 4.270 2.569 2.115 2.845 . 0 0 "[ . 1 . 2 . 3 ]" 1 1002 1 59 LEU H 1 60 ASP HB2 . . 5.220 4.458 3.895 5.205 . 0 0 "[ . 1 . 2 . 3 ]" 1 1003 1 59 LEU H 1 60 ASP HB3 . . 5.220 5.164 4.215 5.638 0.418 16 0 "[ . 1 . 2 . 3 ]" 1 1004 1 59 LEU H 1 75 PHE HZ . . 5.150 4.959 4.175 5.211 0.061 23 0 "[ . 1 . 2 . 3 ]" 1 1005 1 59 LEU HA 1 59 LEU QD . . 4.120 2.057 1.897 2.167 . 0 0 "[ . 1 . 2 . 3 ]" 1 1006 1 59 LEU HA 1 59 LEU HG . . 3.650 3.239 3.077 3.567 . 0 0 "[ . 1 . 2 . 3 ]" 1 1007 1 59 LEU HA 1 61 LYS H . . 4.820 4.088 3.625 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1 1008 1 59 LEU HB2 1 60 ASP H . . 5.170 2.505 2.201 3.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 1009 1 59 LEU HB3 1 60 ASP H . . 5.170 3.562 3.292 4.244 . 0 0 "[ . 1 . 2 . 3 ]" 1 1010 1 59 LEU QD 1 75 PHE QD . . 4.840 2.653 2.107 3.282 . 0 0 "[ . 1 . 2 . 3 ]" 1 1011 1 59 LEU QD 1 75 PHE HZ . . 5.210 3.061 2.363 4.034 . 0 0 "[ . 1 . 2 . 3 ]" 1 1012 1 59 LEU MD1 1 60 ASP H . . 5.220 4.481 4.206 5.254 0.034 23 0 "[ . 1 . 2 . 3 ]" 1 1013 1 59 LEU MD1 1 75 PHE QD . . 5.740 3.352 2.143 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 1014 1 59 LEU MD1 1 75 PHE QE . . 5.220 2.801 2.106 3.167 . 0 0 "[ . 1 . 2 . 3 ]" 1 1015 1 59 LEU MD1 1 75 PHE HZ . . 6.130 3.121 2.416 4.143 . 0 0 "[ . 1 . 2 . 3 ]" 1 1016 1 59 LEU MD2 1 60 ASP H . . 5.220 4.614 4.355 4.773 . 0 0 "[ . 1 . 2 . 3 ]" 1 1017 1 59 LEU MD2 1 75 PHE QD . . 5.740 2.888 2.344 3.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 1018 1 59 LEU MD2 1 75 PHE QE . . 5.220 2.947 2.129 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 1019 1 59 LEU MD2 1 75 PHE HZ . . 6.130 4.492 3.344 5.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 1020 1 59 LEU HG 1 60 ASP H . . 5.170 4.284 4.117 4.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 1021 1 59 LEU HG 1 75 PHE QD . . 5.090 3.970 2.735 4.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 1022 1 59 LEU HG 1 75 PHE QE . . 4.820 2.401 2.136 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 1023 1 59 LEU HG 1 75 PHE HZ . . 5.290 3.556 2.584 4.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 1024 1 60 ASP H 1 61 LYS H . . 4.230 2.844 2.511 3.131 . 0 0 "[ . 1 . 2 . 3 ]" 1 1025 1 60 ASP HA 1 63 SER QB . . 4.060 3.152 1.764 4.181 0.121 5 0 "[ . 1 . 2 . 3 ]" 1 1026 1 60 ASP QB 1 61 LYS H . . 3.990 3.073 2.317 3.844 . 0 0 "[ . 1 . 2 . 3 ]" 1 1027 1 60 ASP HB2 1 61 LYS H . . 4.680 3.787 2.446 4.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 1028 1 60 ASP HB3 1 61 LYS H . . 4.680 3.384 2.343 4.199 . 0 0 "[ . 1 . 2 . 3 ]" 1 1029 1 61 LYS H 1 61 LYS QB . . 3.640 2.152 1.862 2.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 1030 1 61 LYS H 1 61 LYS QD . . 4.300 4.145 2.655 4.501 0.201 8 0 "[ . 1 . 2 . 3 ]" 1 1031 1 61 LYS H 1 61 LYS QG . . 4.420 3.407 2.165 4.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 1032 1 61 LYS H 1 62 ASN H . . 4.430 2.868 2.256 3.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 1033 1 61 LYS HA 1 61 LYS QD . . 3.900 2.910 2.047 4.294 0.394 6 0 "[ . 1 . 2 . 3 ]" 1 1034 1 61 LYS HA 1 61 LYS QE . . 3.960 3.421 1.675 4.225 0.265 16 0 "[ . 1 . 2 . 3 ]" 1 1035 1 61 LYS QB 1 61 LYS QE . . 2.900 2.239 1.819 3.113 0.213 25 0 "[ . 1 . 2 . 3 ]" 1 1036 1 61 LYS QB 1 62 ASN H . . 4.140 2.805 2.073 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 1037 1 61 LYS HB2 1 62 ASN H . . 4.900 3.566 2.540 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 1038 1 61 LYS HB3 1 62 ASN H . . 4.900 3.160 2.086 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 1039 1 61 LYS QD 1 61 LYS QE . . 2.280 2.036 1.962 2.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 1040 1 61 LYS QE 1 61 LYS HG2 . . 3.580 2.939 2.093 3.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 1041 1 61 LYS QE 1 61 LYS QG . . 2.960 2.642 2.068 2.995 0.035 3 0 "[ . 1 . 2 . 3 ]" 1 1042 1 61 LYS QE 1 61 LYS HG3 . . 3.580 3.283 2.375 3.613 0.033 24 0 "[ . 1 . 2 . 3 ]" 1 1043 1 61 LYS HG2 1 62 ASN H . . 5.220 4.689 2.995 5.287 0.067 26 0 "[ . 1 . 2 . 3 ]" 1 1044 1 61 LYS HG3 1 62 ASN H . . 5.220 4.526 2.540 5.448 0.228 22 0 "[ . 1 . 2 . 3 ]" 1 1045 1 62 ASN H 1 63 SER H . . 4.400 2.509 1.865 4.343 . 0 0 "[ . 1 . 2 . 3 ]" 1 1046 1 62 ASN HA 1 62 ASN QD . . 4.400 2.946 2.042 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 1047 1 62 ASN HA 1 62 ASN HD22 . . 5.220 3.969 3.405 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 1048 1 62 ASN HA 1 64 ASP H . . 4.620 4.224 3.104 4.705 0.085 9 0 "[ . 1 . 2 . 3 ]" 1 1049 1 62 ASN QB 1 64 ASP H . . 4.930 3.865 2.806 4.813 . 0 0 "[ . 1 . 2 . 3 ]" 1 1050 1 62 ASN QB 1 65 GLN H . . 5.020 4.344 3.236 5.199 0.179 14 0 "[ . 1 . 2 . 3 ]" 1 1051 1 62 ASN QB 1 65 GLN QB . . 4.310 3.642 2.272 4.354 0.044 28 0 "[ . 1 . 2 . 3 ]" 1 1052 1 62 ASN QB 1 65 GLN QG . . 4.940 2.889 2.198 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 1053 1 62 ASN HB2 1 63 SER H . . 4.740 3.247 2.038 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1 1054 1 62 ASN HB3 1 63 SER H . . 4.740 3.602 1.686 4.649 . 0 0 "[ . 1 . 2 . 3 ]" 1 1055 1 62 ASN QD 1 63 SER H . . 5.080 4.747 3.150 5.237 0.157 2 0 "[ . 1 . 2 . 3 ]" 1 1056 1 63 SER H 1 63 SER QB . . 3.820 2.914 2.121 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 1057 1 63 SER H 1 64 ASP H . . 4.270 3.215 1.932 3.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 1058 1 63 SER H 1 65 GLN H . . 4.610 4.431 3.300 4.910 0.300 14 0 "[ . 1 . 2 . 3 ]" 1 1059 1 63 SER HA 1 65 GLN H . . 5.220 4.284 3.239 5.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 1060 1 63 SER QB 1 64 ASP H . . 4.270 3.139 2.151 4.053 . 0 0 "[ . 1 . 2 . 3 ]" 1 1061 1 63 SER QB 1 65 GLN H . . 5.500 4.703 3.808 5.608 0.108 9 0 "[ . 1 . 2 . 3 ]" 1 1062 1 64 ASP H 1 64 ASP HB2 . . 3.860 2.705 2.305 3.846 . 0 0 "[ . 1 . 2 . 3 ]" 1 1063 1 64 ASP H 1 64 ASP HB3 . . 3.860 3.543 2.344 3.891 0.031 10 0 "[ . 1 . 2 . 3 ]" 1 1064 1 64 ASP H 1 65 GLN H . . 3.630 2.410 1.519 3.545 . 0 0 "[ . 1 . 2 . 3 ]" 1 1065 1 64 ASP H 1 65 GLN HB2 . . 5.220 4.435 3.367 5.314 0.094 30 0 "[ . 1 . 2 . 3 ]" 1 1066 1 64 ASP H 1 65 GLN HB3 . . 5.220 5.108 3.902 5.666 0.446 16 0 "[ . 1 . 2 . 3 ]" 1 1067 1 64 ASP HB2 1 65 GLN H . . 4.500 3.999 3.357 4.525 0.025 9 0 "[ . 1 . 2 . 3 ]" 1 1068 1 64 ASP HB3 1 65 GLN H . . 4.500 4.295 3.024 4.516 0.016 20 0 "[ . 1 . 2 . 3 ]" 1 1069 1 65 GLN H 1 65 GLN HG2 . . 4.450 3.087 2.047 4.577 0.127 27 0 "[ . 1 . 2 . 3 ]" 1 1070 1 65 GLN H 1 65 GLN HG3 . . 4.450 2.950 1.698 4.511 0.061 27 0 "[ . 1 . 2 . 3 ]" 1 1071 1 65 GLN H 1 66 GLU H . . 5.500 4.512 4.281 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1 1072 1 65 GLN HA 1 66 GLU H . . 3.320 2.348 2.203 2.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 1073 1 65 GLN QB 1 66 GLU H . . 4.130 2.797 2.452 3.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 1074 1 65 GLN QB 1 66 GLU HA . . 4.190 4.282 4.211 4.390 0.200 12 0 "[ . 1 . 2 . 3 ]" 1 1075 1 65 GLN QB 1 67 ILE H . . 5.400 5.314 4.915 5.521 0.121 12 0 "[ . 1 . 2 . 3 ]" 1 1076 1 65 GLN HG2 1 66 GLU H . . 5.500 4.701 3.220 5.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 1077 1 65 GLN HG3 1 66 GLU H . . 5.500 4.934 3.600 5.511 0.011 8 0 "[ . 1 . 2 . 3 ]" 1 1078 1 66 GLU H 1 66 GLU HG2 . . 4.180 3.736 2.588 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 1079 1 66 GLU H 1 66 GLU QG . . 3.580 2.602 2.268 2.938 . 0 0 "[ . 1 . 2 . 3 ]" 1 1080 1 66 GLU H 1 66 GLU HG3 . . 4.180 2.697 2.297 3.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 1081 1 66 GLU H 1 67 ILE H . . 5.120 4.586 4.518 4.660 . 0 0 "[ . 1 . 2 . 3 ]" 1 1082 1 66 GLU HA 1 67 ILE MD . . 6.270 5.045 4.003 5.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 1083 1 66 GLU HA 1 67 ILE MG . . 6.270 4.731 3.685 5.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 1084 1 66 GLU QB 1 67 ILE H . . 4.150 2.692 2.217 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 1085 1 66 GLU HB2 1 67 ILE H . . 4.740 3.928 3.518 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1 1086 1 66 GLU HB3 1 67 ILE H . . 4.740 2.745 2.237 3.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 1087 1 66 GLU QG 1 67 ILE H . . 5.040 3.779 3.437 4.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 1088 1 67 ILE H 1 67 ILE MD . . 5.110 3.953 2.357 4.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 1089 1 67 ILE H 1 67 ILE HG12 . . 4.630 3.177 2.183 4.417 . 0 0 "[ . 1 . 2 . 3 ]" 1 1090 1 67 ILE H 1 67 ILE HG13 . . 4.630 2.729 2.143 3.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 1091 1 67 ILE H 1 67 ILE MG . . 4.760 3.511 2.794 3.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 1092 1 67 ILE H 1 68 ASP H . . 5.220 4.407 4.284 4.497 . 0 0 "[ . 1 . 2 . 3 ]" 1 1093 1 67 ILE HA 1 71 GLU QB . . 4.580 4.110 3.247 4.580 . 5 0 "[ . 1 . 2 . 3 ]" 1 1094 1 67 ILE HB 1 68 ASP H . . 4.550 3.227 2.305 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 1095 1 67 ILE MD 1 68 ASP H . . 5.040 4.641 3.435 5.076 0.036 28 0 "[ . 1 . 2 . 3 ]" 1 1096 1 67 ILE MD 1 71 GLU QB . . 5.080 2.968 2.317 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 1097 1 67 ILE MD 1 71 GLU QG . . 5.200 4.245 3.410 4.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 1098 1 67 ILE QG 1 68 ASP H . . 4.530 4.073 3.147 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 1099 1 67 ILE HG12 1 68 ASP H . . 5.220 4.696 3.212 5.266 0.046 28 0 "[ . 1 . 2 . 3 ]" 1 1100 1 67 ILE HG13 1 68 ASP H . . 5.220 4.633 3.900 5.234 0.014 10 0 "[ . 1 . 2 . 3 ]" 1 1101 1 67 ILE MG 1 68 ASP H . . 4.410 2.940 2.144 3.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 1102 1 67 ILE MG 1 71 GLU H . . 4.830 4.042 3.084 4.750 . 0 0 "[ . 1 . 2 . 3 ]" 1 1103 1 67 ILE MG 1 71 GLU HB2 . . 5.220 2.400 1.828 2.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 1104 1 67 ILE MG 1 71 GLU QB . . 4.440 2.189 1.818 2.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 1105 1 67 ILE MG 1 71 GLU HB3 . . 5.220 2.810 1.975 3.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 1106 1 67 ILE MG 1 71 GLU HG2 . . 5.220 3.690 2.839 4.587 . 0 0 "[ . 1 . 2 . 3 ]" 1 1107 1 67 ILE MG 1 71 GLU QG . . 4.600 2.357 1.795 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 1108 1 67 ILE MG 1 71 GLU HG3 . . 5.220 2.404 1.802 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1 1109 1 67 ILE MG 1 72 TYR H . . 4.720 4.150 2.511 4.828 0.108 3 0 "[ . 1 . 2 . 3 ]" 1 1110 1 67 ILE MG 1 72 TYR QB . . 5.110 4.429 2.834 5.230 0.120 7 0 "[ . 1 . 2 . 3 ]" 1 1111 1 68 ASP H 1 71 GLU QB . . 4.400 3.522 2.172 4.552 0.152 12 0 "[ . 1 . 2 . 3 ]" 1 1112 1 68 ASP H 1 71 GLU HG2 . . 5.220 4.448 2.553 5.428 0.208 3 0 "[ . 1 . 2 . 3 ]" 1 1113 1 68 ASP H 1 71 GLU QG . . 4.350 3.176 2.321 4.138 . 0 0 "[ . 1 . 2 . 3 ]" 1 1114 1 68 ASP H 1 71 GLU HG3 . . 5.220 3.307 2.426 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1 1115 1 68 ASP HA 1 70 LYS H . . 5.220 4.282 3.874 4.540 . 0 0 "[ . 1 . 2 . 3 ]" 1 1116 1 68 ASP QB 1 69 PHE H . . 4.460 2.657 2.138 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 1117 1 68 ASP QB 1 70 LYS H . . 5.010 3.367 2.806 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1 1118 1 68 ASP HB2 1 69 PHE H . . 5.120 2.792 2.153 4.529 . 0 0 "[ . 1 . 2 . 3 ]" 1 1119 1 68 ASP HB3 1 69 PHE H . . 5.120 3.834 3.636 4.669 . 0 0 "[ . 1 . 2 . 3 ]" 1 1120 1 69 PHE H 1 70 LYS H . . 5.030 3.001 2.800 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 1121 1 69 PHE HA 1 72 TYR H . . 4.850 3.518 3.119 4.035 . 0 0 "[ . 1 . 2 . 3 ]" 1 1122 1 69 PHE HB2 1 70 LYS H . . 4.860 3.961 3.082 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 1123 1 69 PHE HB3 1 70 LYS H . . 4.860 3.386 2.827 4.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 1124 1 69 PHE QD 1 70 LYS H . . 5.220 4.420 2.999 4.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 1125 1 69 PHE QD 2 77 THR MG . . 6.270 2.337 1.848 3.648 . 0 0 "[ . 1 . 2 . 3 ]" 1 1126 1 69 PHE QE 2 77 THR MG . . 5.720 3.447 2.272 5.048 . 0 0 "[ . 1 . 2 . 3 ]" 1 1127 1 69 PHE HZ 2 77 THR MG . . 6.270 4.993 3.535 6.327 0.057 30 0 "[ . 1 . 2 . 3 ]" 1 1128 1 70 LYS H 1 70 LYS QB . . 3.550 2.159 2.032 2.373 . 0 0 "[ . 1 . 2 . 3 ]" 1 1129 1 70 LYS H 1 70 LYS QD . . 5.000 4.153 1.949 4.799 . 0 0 "[ . 1 . 2 . 3 ]" 1 1130 1 70 LYS H 1 70 LYS HG2 . . 4.670 4.297 3.670 4.618 . 0 0 "[ . 1 . 2 . 3 ]" 1 1131 1 70 LYS H 1 70 LYS QG . . 4.070 3.604 2.303 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 1132 1 70 LYS H 1 70 LYS HG3 . . 4.670 3.961 2.325 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1 1133 1 70 LYS H 1 71 GLU H . . 3.940 2.640 2.370 2.825 . 0 0 "[ . 1 . 2 . 3 ]" 1 1134 1 70 LYS H 1 71 GLU HA . . 5.220 5.249 4.847 5.420 0.200 26 0 "[ . 1 . 2 . 3 ]" 1 1135 1 70 LYS H 1 71 GLU HG2 . . 5.220 4.997 3.614 5.432 0.212 6 0 "[ . 1 . 2 . 3 ]" 1 1136 1 70 LYS H 1 71 GLU HG3 . . 5.220 5.098 3.968 5.520 0.300 27 0 "[ . 1 . 2 . 3 ]" 1 1137 1 70 LYS H 1 72 TYR H . . 5.030 3.730 2.995 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 1138 1 70 LYS H 1 73 SER H . . 5.170 4.508 4.109 4.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 1139 1 70 LYS H 2 77 THR MG . . 5.220 3.563 3.123 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1 1140 1 70 LYS HA 1 70 LYS QD . . 4.840 4.012 2.400 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 1141 1 70 LYS HA 1 73 SER H . . 5.120 3.293 2.706 3.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 1142 1 70 LYS HA 1 73 SER QB . . 4.880 3.458 2.387 4.180 . 0 0 "[ . 1 . 2 . 3 ]" 1 1143 1 70 LYS HA 1 74 VAL H . . 5.220 3.907 3.607 4.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 1144 1 70 LYS HA 2 74 VAL QG . . 5.170 3.866 3.044 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1 1145 1 70 LYS HA 2 77 THR MG . . 4.270 2.117 1.633 2.719 . 0 0 "[ . 1 . 2 . 3 ]" 1 1146 1 70 LYS QB 1 70 LYS QD . . 2.300 2.200 1.995 2.369 0.069 30 0 "[ . 1 . 2 . 3 ]" 1 1147 1 70 LYS QB 1 70 LYS QE . . 3.390 2.856 1.928 3.588 0.198 24 0 "[ . 1 . 2 . 3 ]" 1 1148 1 70 LYS QB 1 71 GLU H . . 3.790 2.292 2.106 2.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 1149 1 70 LYS QB 1 71 GLU HA . . 4.270 4.086 3.776 4.350 0.080 22 0 "[ . 1 . 2 . 3 ]" 1 1150 1 70 LYS QB 1 72 TYR H . . 4.270 4.415 4.322 4.510 0.240 28 0 "[ . 1 . 2 . 3 ]" 1 1151 1 70 LYS QB 2 77 THR MG . . 4.270 3.280 2.382 4.277 0.007 6 0 "[ . 1 . 2 . 3 ]" 1 1152 1 70 LYS QD 1 70 LYS HG2 . . 2.520 2.303 2.167 2.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 1153 1 70 LYS QD 1 70 LYS HG3 . . 2.520 2.352 2.170 2.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 1154 1 70 LYS QD 2 77 THR MG . . 6.270 4.302 2.651 5.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 1155 1 70 LYS QE 1 70 LYS HG2 . . 3.890 2.823 2.148 3.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 1156 1 70 LYS QE 1 70 LYS QG . . 3.250 2.293 1.885 3.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 1157 1 70 LYS QE 1 70 LYS HG3 . . 3.890 2.664 1.924 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1 1158 1 70 LYS QE 2 74 VAL QG . . 5.170 4.189 2.539 5.221 0.051 24 0 "[ . 1 . 2 . 3 ]" 1 1159 1 70 LYS QE 2 77 THR MG . . 5.220 4.318 2.227 5.272 0.052 19 0 "[ . 1 . 2 . 3 ]" 1 1160 1 70 LYS HG2 1 71 GLU H . . 5.220 4.195 3.079 5.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 1161 1 70 LYS HG3 1 71 GLU H . . 5.220 4.697 3.954 4.988 . 0 0 "[ . 1 . 2 . 3 ]" 1 1162 1 71 GLU H 1 71 GLU HB2 . . 3.970 2.476 2.027 2.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 1163 1 71 GLU H 1 71 GLU QB . . 3.420 2.428 2.012 2.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 1164 1 71 GLU H 1 71 GLU HB3 . . 3.970 3.578 3.398 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 1165 1 71 GLU H 1 71 GLU HG2 . . 3.860 2.628 1.810 3.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 1166 1 71 GLU H 1 71 GLU QG . . 3.380 2.342 1.803 2.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 1167 1 71 GLU H 1 71 GLU HG3 . . 3.860 2.960 1.930 3.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 1168 1 71 GLU H 1 72 TYR H . . 4.230 2.694 2.427 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 1169 1 71 GLU H 1 72 TYR HB2 . . 5.220 5.233 4.893 5.536 0.316 15 0 "[ . 1 . 2 . 3 ]" 1 1170 1 71 GLU H 1 72 TYR HB3 . . 5.220 4.564 4.025 5.054 . 0 0 "[ . 1 . 2 . 3 ]" 1 1171 1 71 GLU HA 1 71 GLU QG . . 3.570 2.516 2.126 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 1172 1 71 GLU HA 1 74 VAL H . . 4.330 3.689 2.972 4.009 . 0 0 "[ . 1 . 2 . 3 ]" 1 1173 1 71 GLU HA 1 74 VAL HB . . 5.220 5.013 4.661 5.234 0.014 3 0 "[ . 1 . 2 . 3 ]" 1 1174 1 71 GLU HA 1 74 VAL MG1 . . 4.750 3.834 2.895 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 1175 1 71 GLU HA 1 74 VAL QG . . 4.010 2.018 1.821 2.224 . 0 0 "[ . 1 . 2 . 3 ]" 1 1176 1 71 GLU HA 1 74 VAL MG2 . . 4.750 2.026 1.841 2.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 1177 1 71 GLU QB 1 72 TYR H . . 4.040 2.661 2.426 2.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 1178 1 71 GLU QG 1 72 TYR H . . 4.570 4.067 3.490 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 1179 1 71 GLU HG2 1 72 TYR H . . 5.220 4.590 3.614 4.920 . 0 0 "[ . 1 . 2 . 3 ]" 1 1180 1 71 GLU HG3 1 72 TYR H . . 5.220 4.644 3.952 5.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 1181 1 72 TYR H 1 73 SER H . . 4.270 2.821 2.686 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 1182 1 72 TYR H 1 73 SER QB . . 5.080 4.911 4.331 5.180 0.100 31 0 "[ . 1 . 2 . 3 ]" 1 1183 1 72 TYR HA 1 75 PHE H . . 4.270 3.687 3.340 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1 1184 1 72 TYR HA 1 75 PHE HB2 . . 5.060 3.690 3.213 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1 1185 1 72 TYR HA 1 75 PHE QB . . 4.460 2.874 2.488 3.221 . 0 0 "[ . 1 . 2 . 3 ]" 1 1186 1 72 TYR HA 1 75 PHE HB3 . . 5.060 3.007 2.591 3.413 . 0 0 "[ . 1 . 2 . 3 ]" 1 1187 1 72 TYR HA 1 75 PHE QD . . 4.770 4.706 4.077 4.822 0.052 17 0 "[ . 1 . 2 . 3 ]" 1 1188 1 72 TYR HA 1 76 LEU H . . 5.220 4.005 3.662 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 1189 1 72 TYR HA 1 76 LEU QD . . 5.170 4.239 3.263 4.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 1190 1 72 TYR QB 1 73 SER H . . 3.990 2.630 2.474 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1 1191 1 72 TYR HB2 1 73 SER H . . 4.560 4.027 3.903 4.157 . 0 0 "[ . 1 . 2 . 3 ]" 1 1192 1 72 TYR HB3 1 73 SER H . . 4.560 2.666 2.501 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 1 1193 1 72 TYR HH 1 76 LEU QD . . 6.180 3.259 2.503 4.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 1194 1 72 TYR HH 2 5 LEU QD . . 6.180 2.361 1.719 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 1195 1 72 TYR HH 2 9 LEU QD . . 6.180 5.507 4.873 6.022 . 0 0 "[ . 1 . 2 . 3 ]" 1 1196 1 73 SER H 1 74 VAL H . . 4.790 2.827 2.712 2.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 1197 1 73 SER H 1 74 VAL MG1 . . 5.220 4.519 4.287 4.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 1198 1 73 SER H 1 74 VAL MG2 . . 5.220 4.299 4.091 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 1199 1 73 SER H 1 75 PHE H . . 4.270 4.152 3.985 4.259 . 0 0 "[ . 1 . 2 . 3 ]" 1 1200 1 73 SER H 1 76 LEU QD . . 5.900 4.555 4.076 4.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 1201 1 73 SER H 2 77 THR MG . . 5.220 3.808 3.431 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 1202 1 73 SER HA 1 76 LEU H . . 4.790 3.584 3.324 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 1203 1 73 SER HA 1 76 LEU HB2 . . 4.720 2.740 2.402 3.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 1204 1 73 SER HA 1 76 LEU QB . . 3.970 2.712 2.385 3.009 . 0 0 "[ . 1 . 2 . 3 ]" 1 1205 1 73 SER HA 1 76 LEU HB3 . . 4.720 4.353 3.943 4.721 0.001 19 0 "[ . 1 . 2 . 3 ]" 1 1206 1 73 SER HA 1 76 LEU MD1 . . 5.220 2.981 2.331 5.265 0.045 9 0 "[ . 1 . 2 . 3 ]" 1 1207 1 73 SER HA 1 76 LEU QD . . 4.570 2.878 2.326 3.958 . 0 0 "[ . 1 . 2 . 3 ]" 1 1208 1 73 SER HA 1 76 LEU MD2 . . 5.220 5.018 3.869 5.235 0.015 11 0 "[ . 1 . 2 . 3 ]" 1 1209 1 73 SER HA 1 76 LEU HG . . 5.220 4.015 3.422 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1 1210 1 73 SER HA 1 77 THR H . . 5.220 3.903 3.694 4.182 . 0 0 "[ . 1 . 2 . 3 ]" 1 1211 1 73 SER HA 1 77 THR HB . . 5.220 5.291 5.131 5.407 0.187 28 0 "[ . 1 . 2 . 3 ]" 1 1212 1 73 SER HA 1 77 THR HG1 . . 5.410 4.784 4.358 5.225 . 0 0 "[ . 1 . 2 . 3 ]" 1 1213 1 73 SER HA 2 77 THR HG1 . . 5.220 4.284 3.693 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 1214 1 73 SER HA 2 77 THR MG . . 5.220 5.019 4.215 5.302 0.082 19 0 "[ . 1 . 2 . 3 ]" 1 1215 1 73 SER QB 1 74 VAL H . . 4.040 3.318 2.502 3.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 1216 1 73 SER QB 1 74 VAL QG . . 5.350 3.867 3.198 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 1217 1 73 SER QB 2 74 VAL QG . . 4.920 4.154 2.922 4.922 0.002 22 0 "[ . 1 . 2 . 3 ]" 1 1218 1 73 SER QB 2 77 THR HB . . 3.880 3.806 3.190 4.015 0.135 26 0 "[ . 1 . 2 . 3 ]" 1 1219 1 73 SER HB2 1 74 VAL H . . 4.610 3.885 3.645 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1 1220 1 73 SER HB2 2 77 THR HG1 . . 5.220 2.281 1.729 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 1221 1 73 SER HB2 2 77 THR MG . . 5.220 3.609 2.109 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 1222 1 73 SER HB3 1 74 VAL H . . 4.610 3.764 2.531 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 1223 1 73 SER HB3 2 77 THR HG1 . . 5.220 2.285 2.044 2.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 1224 1 73 SER HB3 2 77 THR MG . . 5.220 3.063 2.131 3.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 1225 1 74 VAL H 1 74 VAL HB . . 3.700 3.721 3.696 3.736 0.036 10 0 "[ . 1 . 2 . 3 ]" 1 1226 1 74 VAL H 1 74 VAL MG1 . . 3.700 2.320 2.136 2.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 1227 1 74 VAL H 1 74 VAL MG2 . . 3.700 2.327 2.149 2.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 1228 1 74 VAL H 1 77 THR HB . . 5.220 4.903 4.685 5.255 0.035 2 0 "[ . 1 . 2 . 3 ]" 1 1229 1 74 VAL HA 1 76 LEU H . . 5.220 4.697 4.450 5.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 1230 1 74 VAL HA 1 77 THR H . . 5.030 3.384 3.164 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 1231 1 74 VAL HA 1 77 THR HB . . 4.270 2.340 2.097 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 1232 1 74 VAL HA 1 77 THR HG1 . . 4.280 3.447 3.036 4.342 0.062 2 0 "[ . 1 . 2 . 3 ]" 1 1233 1 74 VAL HA 1 77 THR MG . . 5.190 3.714 3.262 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 1234 1 74 VAL HA 1 78 MET H . . 4.590 3.634 3.392 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 1235 1 74 VAL HB 1 75 PHE H . . 4.200 3.975 3.843 4.105 . 0 0 "[ . 1 . 2 . 3 ]" 1 1236 1 74 VAL HB 1 77 THR H . . 5.500 5.297 5.048 5.554 0.054 13 0 "[ . 1 . 2 . 3 ]" 1 1237 1 74 VAL QG 1 75 PHE H . . 4.100 2.450 2.271 2.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 1238 1 74 VAL QG 1 75 PHE HA . . 4.730 3.367 3.069 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1 1239 1 74 VAL QG 1 75 PHE QB . . 4.590 3.129 2.635 3.388 . 0 0 "[ . 1 . 2 . 3 ]" 1 1240 1 74 VAL QG 1 75 PHE QD . . 6.180 4.236 3.677 4.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 1241 1 74 VAL QG 1 75 PHE QE . . 6.180 5.993 5.488 6.188 0.008 18 0 "[ . 1 . 2 . 3 ]" 1 1242 1 74 VAL QG 1 77 THR H . . 5.370 4.586 4.434 4.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 1243 1 74 VAL QG 1 77 THR HB . . 5.730 3.885 3.663 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 1244 1 74 VAL QG 1 77 THR HG1 . . 6.180 4.365 4.058 5.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 1245 1 74 VAL QG 1 78 MET H . . 4.930 4.427 4.295 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 1246 1 74 VAL QG 1 78 MET QB . . 4.430 3.969 3.596 4.441 0.011 28 0 "[ . 1 . 2 . 3 ]" 1 1247 1 74 VAL QG 1 78 MET ME . . 5.170 3.223 2.495 3.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 1248 1 74 VAL QG 2 70 LYS HA . . 5.170 3.799 2.852 4.848 . 0 0 "[ . 1 . 2 . 3 ]" 1 1249 1 74 VAL QG 2 70 LYS QE . . 5.170 3.925 2.244 5.204 0.034 17 0 "[ . 1 . 2 . 3 ]" 1 1250 1 74 VAL QG 2 73 SER QB . . 4.920 4.061 2.536 4.933 0.013 23 0 "[ . 1 . 2 . 3 ]" 1 1251 1 75 PHE H 1 75 PHE QB . . 3.590 2.192 2.111 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 1252 1 75 PHE H 1 75 PHE QD . . 4.270 4.165 4.094 4.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 1253 1 75 PHE HA 1 75 PHE QD . . 4.270 3.056 2.494 3.186 . 0 0 "[ . 1 . 2 . 3 ]" 1 1254 1 75 PHE HA 1 75 PHE QE . . 4.760 4.721 4.552 4.814 0.054 19 0 "[ . 1 . 2 . 3 ]" 1 1255 1 75 PHE HA 1 78 MET H . . 4.270 3.484 3.155 3.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 1256 1 75 PHE HA 1 78 MET QB . . 4.760 2.483 2.330 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 1257 1 75 PHE HA 1 78 MET ME . . 3.810 2.646 2.103 3.928 0.118 20 0 "[ . 1 . 2 . 3 ]" 1 1258 1 75 PHE HA 1 78 MET HG2 . . 5.220 4.393 4.128 5.282 0.062 9 0 "[ . 1 . 2 . 3 ]" 1 1259 1 75 PHE HA 1 78 MET QG . . 4.350 4.026 2.837 4.379 0.029 16 0 "[ . 1 . 2 . 3 ]" 1 1260 1 75 PHE HA 1 78 MET HG3 . . 5.220 5.027 2.870 5.334 0.114 26 0 "[ . 1 . 2 . 3 ]" 1 1261 1 75 PHE QB 1 76 LEU H . . 4.080 2.447 2.215 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 1262 1 75 PHE QB 1 76 LEU QD . . 4.600 3.917 2.835 4.241 . 0 0 "[ . 1 . 2 . 3 ]" 1 1263 1 75 PHE HB2 1 76 LEU H . . 4.740 3.773 3.570 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 1264 1 75 PHE HB3 1 76 LEU H . . 4.740 2.479 2.237 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1 1265 1 75 PHE QD 1 76 LEU H . . 4.820 3.550 3.280 4.125 . 0 0 "[ . 1 . 2 . 3 ]" 1 1266 1 75 PHE QD 1 76 LEU HA . . 4.700 3.402 3.130 4.307 . 0 0 "[ . 1 . 2 . 3 ]" 1 1267 1 75 PHE QD 1 76 LEU QD . . 5.150 3.378 2.478 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1 1268 1 75 PHE QD 1 79 LEU H . . 5.010 4.479 3.386 4.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 1269 1 75 PHE QD 1 79 LEU QB . . 5.030 3.474 2.515 4.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 1270 1 75 PHE QD 1 79 LEU QD . . 6.180 3.238 2.216 4.935 . 0 0 "[ . 1 . 2 . 3 ]" 1 1271 1 75 PHE QD 1 79 LEU HG . . 5.420 5.270 4.098 5.506 0.086 16 0 "[ . 1 . 2 . 3 ]" 1 1272 1 75 PHE QE 1 76 LEU HA . . 5.820 5.220 4.776 5.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 1273 1 75 PHE QE 1 76 LEU QD . . 6.180 4.604 4.063 5.224 . 0 0 "[ . 1 . 2 . 3 ]" 1 1274 1 75 PHE QE 1 79 LEU QB . . 5.220 3.942 3.036 5.161 . 0 0 "[ . 1 . 2 . 3 ]" 1 1275 1 75 PHE QE 1 79 LEU QD . . 6.180 2.671 2.078 4.691 . 0 0 "[ . 1 . 2 . 3 ]" 1 1276 1 75 PHE QE 1 79 LEU HG . . 5.480 4.955 3.683 5.510 0.030 11 0 "[ . 1 . 2 . 3 ]" 1 1277 1 76 LEU H 1 76 LEU MD1 . . 4.940 3.618 3.382 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1 1278 1 76 LEU H 1 76 LEU QD . . 4.230 3.117 2.495 3.274 . 0 0 "[ . 1 . 2 . 3 ]" 1 1279 1 76 LEU H 1 76 LEU MD2 . . 4.940 3.465 2.519 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 1280 1 76 LEU H 1 76 LEU HG . . 3.990 2.528 2.242 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 1281 1 76 LEU H 1 77 THR H . . 4.290 2.803 2.693 2.920 . 0 0 "[ . 1 . 2 . 3 ]" 1 1282 1 76 LEU H 1 77 THR HB . . 5.220 4.908 4.563 5.260 0.040 16 0 "[ . 1 . 2 . 3 ]" 1 1283 1 76 LEU H 1 77 THR HG1 . . 5.220 5.846 5.430 6.045 0.825 29 29 [****.********-**************+3*] 1 1284 1 76 LEU H 2 9 LEU QD . . 4.990 4.719 4.439 5.009 0.019 20 0 "[ . 1 . 2 . 3 ]" 1 1285 1 76 LEU HA 1 76 LEU QD . . 4.050 2.026 1.870 2.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 1286 1 76 LEU HA 1 77 THR HG1 . . 6.270 6.796 6.620 6.906 0.636 19 22 "[- **** ******* * +** **.** *3*]" 1 1287 1 76 LEU QB 2 9 LEU QD . . 4.600 2.077 1.910 2.307 . 0 0 "[ . 1 . 2 . 3 ]" 1 1288 1 76 LEU QB 2 9 LEU HG . . 3.610 3.459 2.798 3.658 0.048 8 0 "[ . 1 . 2 . 3 ]" 1 1289 1 76 LEU HB2 1 77 THR H . . 4.650 2.634 2.400 2.924 . 0 0 "[ . 1 . 2 . 3 ]" 1 1290 1 76 LEU HB3 1 77 THR H . . 4.650 3.460 3.185 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1 1291 1 76 LEU QD 2 5 LEU QD . . 4.600 1.888 1.498 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 1292 1 76 LEU QD 2 9 LEU QD . . 4.920 2.140 1.809 2.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 1293 1 76 LEU MD1 1 77 THR H . . 5.220 4.485 4.244 4.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 1294 1 76 LEU MD2 1 77 THR H . . 5.220 4.727 4.443 4.840 . 0 0 "[ . 1 . 2 . 3 ]" 1 1295 1 76 LEU HG 1 77 THR H . . 5.220 4.587 4.383 5.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 1296 1 77 THR H 1 77 THR HG1 . . 4.180 3.394 3.182 3.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 1297 1 77 THR H 1 77 THR MG . . 4.710 3.744 3.678 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 1298 1 77 THR HA 1 80 CYS H . . 4.310 3.497 3.055 3.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 1299 1 77 THR HA 1 80 CYS HB2 . . 5.040 3.487 2.850 3.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 1300 1 77 THR HA 1 80 CYS QB . . 4.390 2.705 2.085 3.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 1301 1 77 THR HA 1 80 CYS HB3 . . 5.040 2.845 2.117 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1 1302 1 77 THR HA 1 81 MET H . . 5.220 4.154 3.806 5.255 0.035 28 0 "[ . 1 . 2 . 3 ]" 1 1303 1 77 THR HB 1 78 MET H . . 4.270 2.552 2.335 2.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 1304 1 77 THR HB 2 73 SER QB . . 3.880 3.741 3.149 3.992 0.112 19 0 "[ . 1 . 2 . 3 ]" 1 1305 1 77 THR HG1 1 78 MET H . . 5.080 4.730 4.567 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 1306 1 77 THR HG1 2 12 MET ME . . 5.090 4.769 3.466 5.180 0.090 10 0 "[ . 1 . 2 . 3 ]" 1 1307 1 77 THR HG1 2 73 SER HA . . 5.220 4.236 3.793 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 1308 1 77 THR HG1 2 73 SER HB2 . . 5.220 2.252 1.636 2.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 1309 1 77 THR HG1 2 73 SER HB3 . . 5.220 2.300 1.846 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 1 1310 1 77 THR MG 1 78 MET H . . 5.050 3.326 2.993 3.731 . 0 0 "[ . 1 . 2 . 3 ]" 1 1311 1 77 THR MG 1 81 MET ME . . 5.040 4.262 2.197 5.083 0.043 6 0 "[ . 1 . 2 . 3 ]" 1 1312 1 77 THR MG 2 69 PHE QD . . 6.270 2.504 1.770 3.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 1313 1 77 THR MG 2 69 PHE QE . . 5.720 3.949 2.348 5.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 1314 1 77 THR MG 2 69 PHE HZ . . 6.270 5.588 4.134 6.353 0.083 7 0 "[ . 1 . 2 . 3 ]" 1 1315 1 77 THR MG 2 70 LYS H . . 5.220 3.577 3.158 4.319 . 0 0 "[ . 1 . 2 . 3 ]" 1 1316 1 77 THR MG 2 70 LYS HA . . 4.270 2.205 1.682 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 1317 1 77 THR MG 2 70 LYS QB . . 4.270 3.436 2.423 4.286 0.016 2 0 "[ . 1 . 2 . 3 ]" 1 1318 1 77 THR MG 2 70 LYS QD . . 6.270 4.015 2.164 5.685 . 0 0 "[ . 1 . 2 . 3 ]" 1 1319 1 77 THR MG 2 70 LYS QE . . 5.220 4.399 2.180 5.293 0.073 6 0 "[ . 1 . 2 . 3 ]" 1 1320 1 77 THR MG 2 73 SER H . . 5.220 3.735 3.325 4.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 1321 1 77 THR MG 2 73 SER HA . . 5.220 4.950 4.396 5.301 0.081 10 0 "[ . 1 . 2 . 3 ]" 1 1322 1 77 THR MG 2 73 SER HB2 . . 5.220 3.513 2.373 4.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 1323 1 77 THR MG 2 73 SER HB3 . . 5.220 3.002 2.320 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 1324 1 78 MET H 1 78 MET ME . . 4.280 3.993 3.713 4.400 0.120 21 0 "[ . 1 . 2 . 3 ]" 1 1325 1 78 MET H 1 78 MET QG . . 4.020 3.732 2.172 4.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 1326 1 78 MET HA 1 78 MET QG . . 3.650 2.427 2.124 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 1327 1 78 MET HA 1 81 MET H . . 4.680 3.578 3.139 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1 1328 1 78 MET QB 1 78 MET ME . . 3.850 2.119 1.980 2.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 1329 1 78 MET QG 1 79 LEU H . . 4.000 3.657 3.326 4.080 0.080 21 0 "[ . 1 . 2 . 3 ]" 1 1330 1 78 MET HG2 1 79 LEU H . . 4.560 3.944 3.471 4.836 0.276 9 0 "[ . 1 . 2 . 3 ]" 1 1331 1 78 MET HG3 1 79 LEU H . . 4.560 4.470 4.047 4.651 0.091 16 0 "[ . 1 . 2 . 3 ]" 1 1332 1 79 LEU H 1 79 LEU MD1 . . 4.660 3.989 2.542 4.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 1333 1 79 LEU H 1 79 LEU MD2 . . 4.660 3.822 2.813 4.228 . 0 0 "[ . 1 . 2 . 3 ]" 1 1334 1 79 LEU H 1 79 LEU HG . . 5.500 4.433 4.204 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 1335 1 79 LEU H 1 80 CYS H . . 4.090 2.781 2.636 2.992 . 0 0 "[ . 1 . 2 . 3 ]" 1 1336 1 79 LEU H 1 80 CYS HB2 . . 5.220 4.989 4.489 5.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 1337 1 79 LEU H 1 80 CYS HB3 . . 5.220 4.986 4.320 5.272 0.052 1 0 "[ . 1 . 2 . 3 ]" 1 1338 1 79 LEU H 1 81 MET H . . 5.220 4.254 3.925 4.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 1339 1 79 LEU HA 1 79 LEU MD1 . . 4.670 2.095 1.806 3.330 . 0 0 "[ . 1 . 2 . 3 ]" 1 1340 1 79 LEU HA 1 79 LEU QD . . 3.980 1.990 1.755 2.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 1341 1 79 LEU HA 1 79 LEU MD2 . . 4.670 3.183 2.064 3.898 . 0 0 "[ . 1 . 2 . 3 ]" 1 1342 1 79 LEU HA 1 79 LEU HG . . 3.920 3.340 2.520 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 1343 1 79 LEU HA 1 82 ALA H . . 5.010 3.344 3.002 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 1344 1 79 LEU HA 1 82 ALA MB . . 5.220 2.524 2.120 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 1345 1 79 LEU HA 1 83 TYR QD . . 5.030 4.760 4.115 5.137 0.107 4 0 "[ . 1 . 2 . 3 ]" 1 1346 1 79 LEU HA 1 83 TYR QE . . 5.220 4.481 3.736 5.310 0.090 27 0 "[ . 1 . 2 . 3 ]" 1 1347 1 79 LEU QB 1 80 CYS H . . 4.260 2.638 2.346 3.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 1348 1 79 LEU QB 1 83 TYR QD . . 6.060 5.265 4.151 6.061 0.001 4 0 "[ . 1 . 2 . 3 ]" 1 1349 1 79 LEU QB 1 83 TYR QE . . 4.490 3.991 2.429 4.556 0.066 8 0 "[ . 1 . 2 . 3 ]" 1 1350 1 79 LEU QD 1 80 CYS H . . 4.970 3.901 3.034 4.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 1351 1 79 LEU QD 1 82 ALA H . . 5.170 4.035 3.578 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 1352 1 79 LEU QD 1 82 ALA HA . . 5.170 5.151 4.443 5.258 0.088 6 0 "[ . 1 . 2 . 3 ]" 1 1353 1 79 LEU QD 1 83 TYR QD . . 4.780 3.270 2.302 4.830 0.050 26 0 "[ . 1 . 2 . 3 ]" 1 1354 1 79 LEU QD 1 83 TYR QE . . 4.520 2.496 1.944 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 1355 1 79 LEU MD1 1 80 CYS H . . 6.070 4.260 3.106 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1 1356 1 79 LEU MD1 1 83 TYR QD . . 5.790 3.341 2.508 5.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 1357 1 79 LEU MD1 1 83 TYR QE . . 5.430 2.603 1.947 4.930 . 0 0 "[ . 1 . 2 . 3 ]" 1 1358 1 79 LEU MD2 1 80 CYS H . . 6.070 4.601 4.153 5.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 1359 1 79 LEU MD2 1 83 TYR QD . . 5.790 5.293 2.659 5.833 0.043 4 0 "[ . 1 . 2 . 3 ]" 1 1360 1 79 LEU MD2 1 83 TYR QE . . 5.430 4.227 3.558 5.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 1361 1 79 LEU HG 1 83 TYR QD . . 5.170 4.927 4.033 5.321 0.151 7 0 "[ . 1 . 2 . 3 ]" 1 1362 1 79 LEU HG 1 83 TYR QE . . 5.100 3.347 2.236 5.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 1363 1 80 CYS H 1 81 MET H . . 4.270 2.859 2.723 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 1364 1 80 CYS HA 1 83 TYR H . . 5.120 4.104 3.576 4.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 1365 1 80 CYS HA 1 83 TYR QD . . 6.270 4.067 2.650 4.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 1366 1 80 CYS HA 1 83 TYR QE . . 6.270 3.287 2.262 5.195 . 0 0 "[ . 1 . 2 . 3 ]" 1 1367 1 80 CYS HA 2 13 VAL QG . . 6.180 5.216 4.565 5.807 . 0 0 "[ . 1 . 2 . 3 ]" 1 1368 1 80 CYS QB 1 81 MET H . . 4.120 2.621 2.415 3.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 1369 1 80 CYS QB 2 13 VAL QG . . 4.600 3.874 3.581 4.325 . 0 0 "[ . 1 . 2 . 3 ]" 1 1370 1 80 CYS HB2 1 81 MET H . . 4.740 3.898 3.433 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 1371 1 80 CYS HB3 1 81 MET H . . 4.740 2.667 2.444 3.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 1372 1 81 MET H 1 81 MET ME . . 4.710 4.223 2.705 4.763 0.053 1 0 "[ . 1 . 2 . 3 ]" 1 1373 1 81 MET H 1 81 MET QG . . 4.370 2.885 2.020 4.141 . 0 0 "[ . 1 . 2 . 3 ]" 1 1374 1 81 MET H 1 82 ALA H . . 4.270 2.701 2.060 2.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 1375 1 81 MET H 1 82 ALA HA . . 5.220 5.263 4.714 5.346 0.126 26 0 "[ . 1 . 2 . 3 ]" 1 1376 1 81 MET H 1 82 ALA MB . . 5.220 4.328 3.735 4.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 1377 1 81 MET HA 1 81 MET ME . . 3.810 3.661 2.506 3.999 0.189 4 0 "[ . 1 . 2 . 3 ]" 1 1378 1 81 MET HA 1 84 ASN H . . 5.180 3.470 2.741 5.393 0.213 8 0 "[ . 1 . 2 . 3 ]" 1 1379 1 81 MET HB2 1 82 ALA H . . 5.220 3.918 2.822 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 1380 1 81 MET HB3 1 82 ALA H . . 5.220 3.962 2.891 4.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 1381 1 81 MET QG 1 82 ALA H . . 5.220 3.930 2.418 5.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 1382 1 82 ALA H 1 83 TYR H . . 4.110 2.742 2.422 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 1383 1 82 ALA MB 1 83 TYR H . . 4.250 3.332 2.908 3.603 . 0 0 "[ . 1 . 2 . 3 ]" 1 1384 1 82 ALA MB 1 83 TYR HA . . 6.170 4.505 4.237 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 1385 1 83 TYR H 1 83 TYR QD . . 4.550 3.342 2.478 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 1386 1 83 TYR H 1 84 ASN H . . 4.250 2.235 1.757 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 1387 1 83 TYR HB2 1 84 ASN H . . 5.500 4.232 2.982 4.555 . 0 0 "[ . 1 . 2 . 3 ]" 1 1388 1 83 TYR HB3 1 84 ASN H . . 5.500 4.547 4.082 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 1389 1 83 TYR QD 1 84 ASN H . . 5.120 3.866 2.406 4.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 1390 1 83 TYR QD 1 84 ASN HA . . 4.530 3.607 2.789 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1 1391 1 83 TYR QD 1 84 ASN QB . . 5.350 4.417 2.800 5.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 1392 1 83 TYR QE 1 84 ASN HA . . 5.300 5.023 3.073 5.401 0.101 8 0 "[ . 1 . 2 . 3 ]" 1 1393 1 83 TYR QE 1 84 ASN QB . . 5.620 5.041 3.098 5.741 0.121 24 0 "[ . 1 . 2 . 3 ]" 1 1394 1 84 ASN H 1 85 ASP H . . 5.220 3.292 2.158 4.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 1395 1 84 ASN HA 1 85 ASP HA . . 4.550 4.638 4.374 4.817 0.267 13 0 "[ . 1 . 2 . 3 ]" 1 1396 1 84 ASN QB 1 87 PHE QD . . 3.940 2.658 2.046 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 1397 1 84 ASN QB 1 87 PHE QE . . 4.610 2.990 2.079 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 1398 1 84 ASN QB 2 13 VAL QG . . 5.970 3.885 2.903 4.839 . 0 0 "[ . 1 . 2 . 3 ]" 1 1399 1 84 ASN HB2 1 87 PHE QD . . 4.610 3.396 2.064 4.623 0.013 27 0 "[ . 1 . 2 . 3 ]" 1 1400 1 84 ASN HB2 1 87 PHE QE . . 5.430 3.634 2.128 5.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 1401 1 84 ASN HB3 1 87 PHE QD . . 4.610 3.316 2.223 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 1402 1 84 ASN HB3 1 87 PHE QE . . 5.430 3.518 2.088 5.468 0.038 8 0 "[ . 1 . 2 . 3 ]" 1 1403 1 84 ASN QD 2 13 VAL QG . . 4.270 2.961 1.894 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1 1404 1 85 ASP H 1 85 ASP QB . . 3.910 2.520 2.043 3.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 1405 1 85 ASP HA 1 87 PHE H . . 5.220 3.443 2.772 4.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 1406 1 85 ASP HA 1 88 LEU H . . 4.270 3.368 2.496 4.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 1407 1 85 ASP HA 1 88 LEU HB2 . . 4.270 2.816 2.054 4.390 0.120 16 0 "[ . 1 . 2 . 3 ]" 1 1408 1 85 ASP HA 1 88 LEU HB3 . . 4.270 3.993 2.691 4.434 0.164 31 0 "[ . 1 . 2 . 3 ]" 1 1409 1 85 ASP HA 1 88 LEU MD1 . . 5.540 3.985 1.882 5.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 1410 1 85 ASP HA 1 88 LEU QD . . 4.210 2.730 1.861 4.125 . 0 0 "[ . 1 . 2 . 3 ]" 1 1411 1 85 ASP HA 1 88 LEU MD2 . . 5.540 3.432 1.874 5.322 . 0 0 "[ . 1 . 2 . 3 ]" 1 1412 1 85 ASP HA 1 88 LEU HG . . 4.270 3.514 2.065 4.418 0.148 27 0 "[ . 1 . 2 . 3 ]" 1 1413 1 85 ASP QB 1 86 PHE H . . 4.440 3.321 2.181 3.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 1414 1 85 ASP QB 1 88 LEU H . . 5.080 4.457 3.733 4.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 1415 1 85 ASP QB 1 88 LEU QB . . 5.080 3.539 2.481 4.347 . 0 0 "[ . 1 . 2 . 3 ]" 1 1416 1 86 PHE H 1 87 PHE H . . 4.870 2.921 2.676 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 1417 1 86 PHE H 1 88 LEU H . . 5.220 4.339 3.377 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 1418 1 86 PHE QB 1 87 PHE H . . 5.030 3.210 2.731 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 1419 1 86 PHE QD 1 87 PHE H . . 5.220 4.556 3.873 4.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 1420 1 87 PHE H 1 87 PHE QE . . 5.220 4.685 4.162 5.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 1421 1 87 PHE H 1 88 LEU QD . . 5.170 3.543 2.454 5.186 0.016 6 0 "[ . 1 . 2 . 3 ]" 1 1422 1 87 PHE HA 1 87 PHE QD . . 4.270 2.681 2.155 3.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 1423 1 87 PHE HA 1 87 PHE QE . . 5.860 4.771 4.428 5.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 1424 1 87 PHE HA 2 27 LEU QD . . 5.600 4.957 2.059 5.709 0.109 27 0 "[ . 1 . 2 . 3 ]" 1 1425 1 87 PHE QB 1 88 LEU H . . 4.310 3.562 3.145 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 1426 1 87 PHE QB 1 88 LEU QD . . 5.030 3.338 1.922 5.046 0.016 23 0 "[ . 1 . 2 . 3 ]" 1 1427 1 87 PHE HB2 1 88 LEU H . . 4.940 3.789 3.275 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1 1428 1 87 PHE HB3 1 88 LEU H . . 4.940 4.396 3.940 4.642 . 0 0 "[ . 1 . 2 . 3 ]" 1 1429 1 87 PHE QD 2 13 VAL QG . . 6.180 3.887 2.900 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 1430 1 87 PHE QD 2 27 LEU MD1 . . 6.270 4.654 2.923 5.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 1431 1 87 PHE QD 2 27 LEU QD . . 4.980 3.317 2.161 4.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 1432 1 87 PHE QD 2 27 LEU MD2 . . 6.270 3.511 2.164 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 1433 1 87 PHE QE 2 13 VAL MG1 . . 6.270 3.451 2.247 5.407 . 0 0 "[ . 1 . 2 . 3 ]" 1 1434 1 87 PHE QE 2 13 VAL QG . . 5.340 2.973 2.200 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1 1435 1 87 PHE QE 2 13 VAL MG2 . . 6.270 3.543 2.337 6.302 0.032 21 0 "[ . 1 . 2 . 3 ]" 1 1436 1 87 PHE QE 2 27 LEU MD1 . . 6.270 5.947 3.483 6.308 0.038 6 0 "[ . 1 . 2 . 3 ]" 1 1437 1 87 PHE QE 2 27 LEU MD2 . . 6.270 4.852 2.270 6.293 0.023 17 0 "[ . 1 . 2 . 3 ]" 1 1438 1 87 PHE HZ 2 13 VAL QG . . 6.180 3.210 2.017 6.188 0.008 20 0 "[ . 1 . 2 . 3 ]" 1 1439 1 88 LEU H 1 88 LEU HB2 . . 3.750 2.462 1.954 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 1440 1 88 LEU H 1 88 LEU QB . . 3.210 2.286 1.940 2.888 . 0 0 "[ . 1 . 2 . 3 ]" 1 1441 1 88 LEU H 1 88 LEU HB3 . . 3.750 3.372 2.134 3.852 0.102 22 0 "[ . 1 . 2 . 3 ]" 1 1442 1 88 LEU H 1 88 LEU MD1 . . 4.400 3.830 1.935 4.388 . 0 0 "[ . 1 . 2 . 3 ]" 1 1443 1 88 LEU H 1 88 LEU MD2 . . 4.400 3.281 2.463 4.369 . 0 0 "[ . 1 . 2 . 3 ]" 1 1444 1 88 LEU H 1 88 LEU HG . . 4.110 3.819 2.266 4.289 0.179 13 0 "[ . 1 . 2 . 3 ]" 1 1445 1 88 LEU H 1 89 GLU H . . 5.500 4.154 2.420 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1 1446 1 88 LEU HA 1 88 LEU MD1 . . 4.620 2.822 1.948 3.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 1447 1 88 LEU HA 1 88 LEU QD . . 3.930 2.214 1.887 3.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 1448 1 88 LEU HA 1 88 LEU MD2 . . 4.620 2.598 1.893 4.074 . 0 0 "[ . 1 . 2 . 3 ]" 1 1449 1 88 LEU HA 1 89 GLU H . . 3.150 2.789 2.219 3.469 0.319 28 0 "[ . 1 . 2 . 3 ]" 1 1450 1 88 LEU HA 1 90 ASP H . . 5.140 4.406 3.779 5.110 . 0 0 "[ . 1 . 2 . 3 ]" 1 1451 1 88 LEU HB2 1 89 GLU H . . 3.980 3.131 2.060 4.064 0.084 4 0 "[ . 1 . 2 . 3 ]" 1 1452 1 88 LEU HB3 1 89 GLU H . . 3.980 2.376 1.690 3.874 . 0 0 "[ . 1 . 2 . 3 ]" 1 1453 1 88 LEU QD 1 89 GLU H . . 3.760 3.010 1.984 3.841 0.081 28 0 "[ . 1 . 2 . 3 ]" 1 1454 1 88 LEU QD 1 90 ASP H . . 5.170 3.464 2.028 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 1455 1 88 LEU QD 1 92 LYS H . . 5.170 3.867 2.375 5.215 0.045 20 0 "[ . 1 . 2 . 3 ]" 1 1456 1 88 LEU QD 2 26 LYS QE . . 5.170 3.171 1.853 4.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 1457 1 88 LEU MD1 1 89 GLU H . . 5.220 3.573 2.452 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1 1458 1 88 LEU MD1 2 26 LYS H . . 5.500 4.732 3.345 5.296 . 0 0 "[ . 1 . 2 . 3 ]" 1 1459 1 88 LEU MD2 1 89 GLU H . . 5.220 3.743 1.997 4.596 . 0 0 "[ . 1 . 2 . 3 ]" 1 1460 1 88 LEU MD2 2 26 LYS H . . 5.500 4.688 2.831 5.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 1461 1 88 LEU HG 1 89 GLU H . . 5.220 4.383 3.787 4.817 . 0 0 "[ . 1 . 2 . 3 ]" 1 1462 1 88 LEU HG 1 90 ASP H . . 5.060 4.917 3.980 5.251 0.191 20 0 "[ . 1 . 2 . 3 ]" 1 1463 1 89 GLU H 1 89 GLU HB2 . . 3.890 2.712 2.126 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1 1464 1 89 GLU H 1 89 GLU QB . . 3.280 2.580 2.105 3.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 1465 1 89 GLU H 1 89 GLU HB3 . . 3.890 3.559 2.494 4.078 0.188 29 0 "[ . 1 . 2 . 3 ]" 1 1466 1 89 GLU H 1 89 GLU QG . . 4.270 3.621 2.322 4.309 0.039 10 0 "[ . 1 . 2 . 3 ]" 1 1467 1 89 GLU HA 1 90 ASP QB . . 4.700 4.396 3.527 4.784 0.084 31 0 "[ . 1 . 2 . 3 ]" 1 1468 1 89 GLU QB 1 90 ASP H . . 3.600 3.066 2.077 3.739 0.139 14 0 "[ . 1 . 2 . 3 ]" 1 1469 1 89 GLU HB2 1 90 ASP H . . 4.120 3.424 2.353 4.400 0.280 14 0 "[ . 1 . 2 . 3 ]" 1 1470 1 89 GLU HB3 1 90 ASP H . . 4.120 3.726 2.090 4.362 0.242 4 0 "[ . 1 . 2 . 3 ]" 1 1471 1 89 GLU QG 1 90 ASP H . . 4.620 4.423 2.562 4.814 0.194 5 0 "[ . 1 . 2 . 3 ]" 1 1472 1 90 ASP H 1 90 ASP HB2 . . 3.730 3.467 2.878 4.013 0.283 17 0 "[ . 1 . 2 . 3 ]" 1 1473 1 90 ASP H 1 90 ASP QB . . 3.250 2.992 2.624 3.296 0.046 17 0 "[ . 1 . 2 . 3 ]" 1 1474 1 90 ASP H 1 90 ASP HB3 . . 3.730 3.408 2.863 4.001 0.271 16 0 "[ . 1 . 2 . 3 ]" 1 1475 1 90 ASP HA 1 92 LYS H . . 5.150 4.452 3.215 5.460 0.310 25 0 "[ . 1 . 2 . 3 ]" 1 1476 1 91 ASN H 1 91 ASN QB . . 3.610 2.473 2.024 3.293 . 0 0 "[ . 1 . 2 . 3 ]" 1 1477 1 91 ASN H 1 92 LYS H . . 4.110 2.966 1.675 4.216 0.106 23 0 "[ . 1 . 2 . 3 ]" 1 1478 1 91 ASN HB2 1 92 LYS H . . 4.790 4.159 2.223 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 1479 1 91 ASN HB3 1 92 LYS H . . 4.790 3.763 2.442 4.708 . 0 0 "[ . 1 . 2 . 3 ]" 1 1480 1 92 LYS H 1 92 LYS QB . . 3.510 2.974 1.951 3.533 0.023 3 0 "[ . 1 . 2 . 3 ]" 1 1481 1 92 LYS H 1 92 LYS QD . . 3.730 3.197 1.815 4.057 0.327 13 0 "[ . 1 . 2 . 3 ]" 1 1482 1 92 LYS H 1 92 LYS QG . . 3.820 3.256 1.897 4.027 0.207 5 0 "[ . 1 . 2 . 3 ]" 1 1483 1 92 LYS HA 1 92 LYS QD . . 4.200 3.204 1.908 4.290 0.090 13 0 "[ . 1 . 2 . 3 ]" 1 1484 1 92 LYS HA 1 92 LYS QE . . 4.610 3.970 1.897 4.646 0.036 12 0 "[ . 1 . 2 . 3 ]" 1 1485 1 92 LYS QB 1 92 LYS QE . . 4.140 3.122 1.882 3.857 . 0 0 "[ . 1 . 2 . 3 ]" 1 1486 1 92 LYS HB2 1 92 LYS QE . . 4.900 3.471 1.893 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1 1487 1 92 LYS HB3 1 92 LYS QE . . 4.900 3.800 2.528 4.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 1488 1 92 LYS QD 1 92 LYS QE . . 2.280 2.071 1.966 2.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 1489 2 1 MET HA 2 1 MET ME . . 4.780 3.950 2.057 5.103 0.323 1 0 "[ . 1 . 2 . 3 ]" 1 1490 2 1 MET QB 2 3 THR H . . 4.270 4.241 3.264 4.585 0.315 28 0 "[ . 1 . 2 . 3 ]" 1 1491 2 2 GLU HA 2 2 GLU QG . . 3.610 2.775 2.238 3.632 0.022 18 0 "[ . 1 . 2 . 3 ]" 1 1492 2 2 GLU HA 2 3 THR MG . . 4.950 4.200 3.206 5.007 0.057 23 0 "[ . 1 . 2 . 3 ]" 1 1493 2 2 GLU HA 2 6 GLU QB . . 6.060 4.932 2.983 6.188 0.128 26 0 "[ . 1 . 2 . 3 ]" 1 1494 2 2 GLU QB 2 3 THR H . . 3.980 3.127 1.906 3.993 0.013 2 0 "[ . 1 . 2 . 3 ]" 1 1495 2 2 GLU HB2 2 3 THR H . . 4.520 3.587 1.956 4.590 0.070 5 0 "[ . 1 . 2 . 3 ]" 1 1496 2 2 GLU HB3 2 3 THR H . . 4.520 3.718 1.995 4.526 0.006 6 0 "[ . 1 . 2 . 3 ]" 1 1497 2 2 GLU QG 2 3 THR H . . 4.360 3.977 1.698 4.616 0.256 19 0 "[ . 1 . 2 . 3 ]" 1 1498 2 3 THR H 2 3 THR MG . . 4.040 2.541 1.709 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 1499 2 3 THR H 2 4 PRO HD2 . . 5.220 4.954 4.708 5.247 0.027 13 0 "[ . 1 . 2 . 3 ]" 1 1500 2 3 THR H 2 4 PRO HD3 . . 5.220 5.079 4.696 5.262 0.042 3 0 "[ . 1 . 2 . 3 ]" 1 1501 2 3 THR H 2 6 GLU H . . 4.980 4.345 3.590 4.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 1502 2 3 THR H 2 6 GLU HB2 . . 4.720 4.006 3.081 4.787 0.067 11 0 "[ . 1 . 2 . 3 ]" 1 1503 2 3 THR H 2 6 GLU QB . . 4.110 2.935 2.424 3.708 . 0 0 "[ . 1 . 2 . 3 ]" 1 1504 2 3 THR H 2 6 GLU HB3 . . 4.720 3.030 2.463 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 1505 2 3 THR H 2 6 GLU HG2 . . 5.220 3.793 1.727 5.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 1506 2 3 THR H 2 6 GLU QG . . 4.360 3.478 1.711 4.505 0.145 20 0 "[ . 1 . 2 . 3 ]" 1 1507 2 3 THR H 2 6 GLU HG3 . . 5.220 4.261 2.324 5.344 0.124 29 0 "[ . 1 . 2 . 3 ]" 1 1508 2 3 THR H 2 7 LYS H . . 5.220 4.833 4.084 5.271 0.051 15 0 "[ . 1 . 2 . 3 ]" 1 1509 2 3 THR HA 2 5 LEU H . . 5.170 4.683 4.256 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 1510 2 3 THR HB 2 4 PRO HD2 . . 4.670 2.162 1.883 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 1511 2 3 THR HB 2 4 PRO HD3 . . 4.670 3.316 2.236 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 1512 2 3 THR HB 2 4 PRO QG . . 5.080 3.955 3.410 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 1513 2 3 THR HB 2 5 LEU H . . 4.840 3.652 2.499 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 1514 2 3 THR HG1 2 6 GLU H . . 6.270 3.179 2.192 4.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 1515 2 3 THR MG 2 4 PRO QD . . 4.230 3.340 2.410 3.903 . 0 0 "[ . 1 . 2 . 3 ]" 1 1516 2 3 THR MG 2 5 LEU H . . 5.220 4.811 4.145 5.237 0.017 24 0 "[ . 1 . 2 . 3 ]" 1 1517 2 3 THR MG 2 6 GLU H . . 5.220 4.392 3.344 5.226 0.006 1 0 "[ . 1 . 2 . 3 ]" 1 1518 2 4 PRO HA 2 7 LYS H . . 5.170 3.458 2.625 4.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 1519 2 4 PRO HA 2 7 LYS QD . . 4.280 4.189 3.253 4.382 0.102 12 0 "[ . 1 . 2 . 3 ]" 1 1520 2 4 PRO QB 2 5 LEU H . . 4.050 3.268 2.468 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 1521 2 4 PRO QD 2 5 LEU H . . 4.820 2.868 2.313 3.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 1522 2 4 PRO QG 2 5 LEU H . . 4.870 2.459 2.042 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 1523 2 5 LEU H 2 5 LEU MD1 . . 5.080 4.168 3.957 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 1524 2 5 LEU H 2 5 LEU QD . . 4.470 3.733 3.589 3.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 1525 2 5 LEU H 2 5 LEU MD2 . . 5.080 4.220 4.055 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 1526 2 5 LEU H 2 5 LEU HG . . 4.810 4.460 4.203 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1 1527 2 5 LEU H 2 6 GLU H . . 4.400 2.716 2.449 2.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 1528 2 5 LEU H 2 7 LYS H . . 5.220 4.140 3.417 4.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 1529 2 5 LEU HA 2 5 LEU QD . . 4.050 2.257 1.954 2.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 1530 2 5 LEU HA 2 5 LEU HG . . 4.000 3.102 2.115 3.723 . 0 0 "[ . 1 . 2 . 3 ]" 1 1531 2 5 LEU QB 2 6 GLU H . . 4.390 2.764 2.267 3.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 1532 2 5 LEU HB2 2 6 GLU H . . 5.220 4.027 3.699 4.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 1533 2 5 LEU HB3 2 6 GLU H . . 5.220 2.818 2.285 3.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 1534 2 5 LEU QD 2 8 ALA MB . . 5.710 2.435 1.779 3.353 . 0 0 "[ . 1 . 2 . 3 ]" 1 1535 2 5 LEU HG 2 6 GLU H . . 5.220 4.210 3.234 5.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 1536 2 5 LEU HG 2 9 LEU H . . 5.220 4.842 3.800 5.349 0.129 31 0 "[ . 1 . 2 . 3 ]" 1 1537 2 6 GLU H 2 6 GLU QG . . 4.460 3.736 2.354 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1 1538 2 6 GLU H 2 7 LYS H . . 4.180 2.900 2.690 3.167 . 0 0 "[ . 1 . 2 . 3 ]" 1 1539 2 6 GLU H 2 8 ALA H . . 5.220 4.350 4.005 4.578 . 0 0 "[ . 1 . 2 . 3 ]" 1 1540 2 6 GLU HA 2 8 ALA H . . 4.960 4.108 3.558 4.595 . 0 0 "[ . 1 . 2 . 3 ]" 1 1541 2 6 GLU HA 2 9 LEU H . . 5.130 3.305 2.632 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 1542 2 6 GLU HA 2 9 LEU QD . . 5.350 2.988 2.307 4.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 1543 2 6 GLU HA 2 9 LEU HG . . 4.550 4.176 3.735 4.590 0.040 22 0 "[ . 1 . 2 . 3 ]" 1 1544 2 6 GLU QB 2 7 LYS H . . 3.710 2.985 2.319 3.746 0.036 7 0 "[ . 1 . 2 . 3 ]" 1 1545 2 6 GLU HB2 2 7 LYS H . . 4.270 4.139 3.642 4.373 0.103 23 0 "[ . 1 . 2 . 3 ]" 1 1546 2 6 GLU HB3 2 7 LYS H . . 4.270 3.096 2.346 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 1547 2 6 GLU QG 2 7 LYS H . . 4.010 3.491 2.128 4.224 0.214 4 0 "[ . 1 . 2 . 3 ]" 1 1548 2 7 LYS H 2 7 LYS QB . . 3.610 2.477 1.991 2.752 . 0 0 "[ . 1 . 2 . 3 ]" 1 1549 2 7 LYS H 2 7 LYS QD . . 4.300 3.015 2.342 4.330 0.030 5 0 "[ . 1 . 2 . 3 ]" 1 1550 2 7 LYS H 2 7 LYS QG . . 4.270 2.711 1.926 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 1551 2 7 LYS H 2 8 ALA H . . 4.170 2.769 2.485 3.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 1552 2 7 LYS H 2 8 ALA MB . . 6.270 4.415 4.096 4.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 1553 2 7 LYS HA 2 7 LYS QD . . 3.830 2.566 2.013 3.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 1554 2 7 LYS HA 2 7 LYS QE . . 4.280 3.213 1.776 4.345 0.065 29 0 "[ . 1 . 2 . 3 ]" 1 1555 2 7 LYS HA 2 7 LYS QG . . 3.570 3.010 2.279 3.562 . 0 0 "[ . 1 . 2 . 3 ]" 1 1556 2 7 LYS HA 2 10 THR H . . 5.050 3.390 2.825 4.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 1557 2 7 LYS QB 2 7 LYS QE . . 3.480 2.984 1.861 3.661 0.181 24 0 "[ . 1 . 2 . 3 ]" 1 1558 2 7 LYS QB 2 10 THR HB . . 5.080 4.323 3.563 5.336 0.256 22 0 "[ . 1 . 2 . 3 ]" 1 1559 2 7 LYS HB2 2 7 LYS QE . . 4.250 3.752 1.973 4.356 0.106 10 0 "[ . 1 . 2 . 3 ]" 1 1560 2 7 LYS HB2 2 8 ALA H . . 4.270 3.337 2.772 4.331 0.061 5 0 "[ . 1 . 2 . 3 ]" 1 1561 2 7 LYS HB3 2 7 LYS QE . . 4.250 3.333 1.868 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 1562 2 7 LYS HB3 2 8 ALA H . . 4.270 3.917 2.970 4.453 0.183 8 0 "[ . 1 . 2 . 3 ]" 1 1563 2 7 LYS QD 2 7 LYS QE . . 2.280 2.076 2.016 2.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 1564 2 7 LYS QD 2 10 THR H . . 5.080 5.028 4.426 5.179 0.099 13 0 "[ . 1 . 2 . 3 ]" 1 1565 2 8 ALA H 2 8 ALA MB . . 3.530 2.215 2.152 2.300 . 0 0 "[ . 1 . 2 . 3 ]" 1 1566 2 8 ALA H 2 10 THR H . . 5.220 4.197 3.746 4.683 . 0 0 "[ . 1 . 2 . 3 ]" 1 1567 2 8 ALA H 2 11 THR H . . 4.770 4.701 4.444 5.021 0.251 6 0 "[ . 1 . 2 . 3 ]" 1 1568 2 8 ALA HA 2 11 THR H . . 4.270 3.592 3.021 4.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 1569 2 8 ALA HA 2 11 THR HB . . 4.230 2.970 2.408 3.668 . 0 0 "[ . 1 . 2 . 3 ]" 1 1570 2 8 ALA HA 2 11 THR MG . . 4.840 4.221 3.746 4.781 . 0 0 "[ . 1 . 2 . 3 ]" 1 1571 2 8 ALA MB 2 9 LEU H . . 4.340 2.394 2.153 2.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 1572 2 8 ALA MB 2 9 LEU QD . . 5.170 2.569 2.059 3.313 . 0 0 "[ . 1 . 2 . 3 ]" 1 1573 2 9 LEU H 2 9 LEU MD1 . . 4.700 3.695 3.396 4.163 . 0 0 "[ . 1 . 2 . 3 ]" 1 1574 2 9 LEU H 2 9 LEU QD . . 4.110 2.143 1.936 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 1575 2 9 LEU H 2 9 LEU MD2 . . 4.700 2.158 1.946 2.699 . 0 0 "[ . 1 . 2 . 3 ]" 1 1576 2 9 LEU H 2 9 LEU HG . . 4.180 3.938 3.809 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 1577 2 9 LEU H 2 10 THR H . . 4.320 2.880 2.737 3.032 . 0 0 "[ . 1 . 2 . 3 ]" 1 1578 2 9 LEU H 2 11 THR H . . 4.860 4.340 4.079 4.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 1579 2 9 LEU H 2 12 MET H . . 5.220 4.780 4.583 5.092 . 0 0 "[ . 1 . 2 . 3 ]" 1 1580 2 9 LEU HA 2 9 LEU QD . . 4.000 1.976 1.860 2.078 . 0 0 "[ . 1 . 2 . 3 ]" 1 1581 2 9 LEU HA 2 12 MET H . . 4.410 3.373 3.105 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 1582 2 9 LEU QB 2 10 THR H . . 5.030 2.610 2.387 2.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 1583 2 9 LEU QD 2 11 THR H . . 5.170 5.136 5.008 5.211 0.041 8 0 "[ . 1 . 2 . 3 ]" 1 1584 2 9 LEU QD 2 12 MET H . . 4.650 4.438 4.095 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 1585 2 9 LEU MD1 2 10 THR H . . 5.220 4.742 4.573 4.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 1586 2 9 LEU MD2 2 10 THR H . . 5.220 4.215 4.019 4.654 . 0 0 "[ . 1 . 2 . 3 ]" 1 1587 2 9 LEU HG 2 10 THR H . . 5.220 5.079 4.847 5.281 0.061 8 0 "[ . 1 . 2 . 3 ]" 1 1588 2 10 THR H 2 11 THR H . . 3.600 2.932 2.692 3.182 . 0 0 "[ . 1 . 2 . 3 ]" 1 1589 2 10 THR HA 2 12 MET H . . 5.220 4.581 4.026 4.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 1590 2 10 THR HA 2 13 VAL H . . 5.220 3.587 2.882 3.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 1591 2 10 THR HA 2 13 VAL HB . . 4.970 4.998 4.715 5.078 0.108 27 0 "[ . 1 . 2 . 3 ]" 1 1592 2 10 THR HA 2 13 VAL QG . . 5.170 2.013 1.946 2.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 1593 2 10 THR HB 2 11 THR H . . 3.920 2.767 2.276 3.994 0.074 20 0 "[ . 1 . 2 . 3 ]" 1 1594 2 10 THR MG 2 11 THR H . . 4.610 3.439 2.409 4.348 . 0 0 "[ . 1 . 2 . 3 ]" 1 1595 2 10 THR MG 2 12 MET H . . 5.220 5.183 4.649 5.370 0.150 22 0 "[ . 1 . 2 . 3 ]" 1 1596 2 11 THR H 2 11 THR HB . . 3.920 2.558 2.305 2.836 . 0 0 "[ . 1 . 2 . 3 ]" 1 1597 2 11 THR H 2 11 THR MG . . 4.610 3.771 3.682 3.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 1598 2 11 THR H 2 12 MET H . . 4.270 2.803 2.678 2.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 1599 2 11 THR HA 2 14 THR H . . 4.320 3.648 3.316 3.932 . 0 0 "[ . 1 . 2 . 3 ]" 1 1600 2 11 THR HA 2 14 THR HB . . 4.600 2.898 2.387 4.670 0.070 10 0 "[ . 1 . 2 . 3 ]" 1 1601 2 11 THR HA 2 14 THR MG . . 4.900 3.976 3.588 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 1602 2 11 THR HA 2 15 THR HG1 . . 5.650 5.124 4.383 5.792 0.142 5 0 "[ . 1 . 2 . 3 ]" 1 1603 2 11 THR HB 2 12 MET H . . 4.430 2.609 2.359 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 1604 2 11 THR MG 2 12 MET H . . 4.870 3.532 2.942 3.940 . 0 0 "[ . 1 . 2 . 3 ]" 1 1605 2 11 THR MG 2 14 THR H . . 5.220 4.929 4.661 5.288 0.068 20 0 "[ . 1 . 2 . 3 ]" 1 1606 2 11 THR MG 2 15 THR H . . 5.670 4.214 3.816 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 1607 2 11 THR MG 2 15 THR HG1 . . 5.910 3.330 2.688 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1 1608 2 12 MET H 2 12 MET ME . . 5.220 4.796 3.940 4.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 1609 2 12 MET H 2 12 MET HG2 . . 4.310 3.716 3.381 4.425 0.115 11 0 "[ . 1 . 2 . 3 ]" 1 1610 2 12 MET H 2 12 MET HG3 . . 4.310 2.577 2.129 4.371 0.061 28 0 "[ . 1 . 2 . 3 ]" 1 1611 2 12 MET H 2 13 VAL H . . 4.270 2.891 2.659 3.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 1612 2 12 MET H 2 14 THR H . . 5.110 4.211 3.895 4.423 . 0 0 "[ . 1 . 2 . 3 ]" 1 1613 2 12 MET HA 2 12 MET ME . . 4.630 4.298 3.932 4.643 0.013 13 0 "[ . 1 . 2 . 3 ]" 1 1614 2 12 MET HA 2 15 THR HG1 . . 5.480 3.118 2.459 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 1615 2 12 MET HA 2 72 TYR HH . . 6.270 3.406 2.125 6.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 1616 2 12 MET QB 2 12 MET ME . . 4.080 3.132 2.089 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 1617 2 12 MET QB 2 72 TYR QD . . 6.270 4.381 3.730 5.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 1618 2 12 MET QB 2 72 TYR QE . . 6.270 2.679 2.107 4.084 . 0 0 "[ . 1 . 2 . 3 ]" 1 1619 2 12 MET QB 2 72 TYR HH . . 6.270 4.061 1.917 6.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 1620 2 12 MET ME 2 72 TYR QD . . 6.270 4.646 3.733 5.119 . 0 0 "[ . 1 . 2 . 3 ]" 1 1621 2 12 MET ME 2 72 TYR QE . . 6.270 3.996 2.545 4.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 1622 2 12 MET ME 2 72 TYR HH . . 6.270 4.717 3.060 6.885 0.615 13 1 "[ . 1 + . 2 . 3 ]" 1 1623 2 12 MET ME 2 73 SER HA . . 3.810 3.170 2.695 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1 1624 2 12 MET ME 2 73 SER QB . . 4.290 3.434 2.742 4.383 0.093 18 0 "[ . 1 . 2 . 3 ]" 1 1625 2 12 MET ME 2 76 LEU MD1 . . 5.180 2.384 1.878 4.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 1626 2 12 MET ME 2 76 LEU QD . . 3.780 2.286 1.874 3.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 1627 2 12 MET ME 2 76 LEU MD2 . . 5.180 4.076 2.007 5.200 0.020 13 0 "[ . 1 . 2 . 3 ]" 1 1628 2 12 MET QG 2 72 TYR QD . . 6.060 5.111 3.060 6.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 1629 2 12 MET QG 2 72 TYR QE . . 6.030 3.581 2.027 4.495 . 0 0 "[ . 1 . 2 . 3 ]" 1 1630 2 12 MET QG 2 72 TYR HH . . 5.910 3.780 2.021 5.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 1631 2 12 MET QG 2 76 LEU QD . . 5.970 3.172 2.257 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1 1632 2 13 VAL H 2 13 VAL HB . . 3.750 3.714 3.692 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 1633 2 13 VAL H 2 13 VAL QG . . 2.890 2.022 1.936 2.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 1634 2 13 VAL H 2 14 THR H . . 4.270 2.697 2.525 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 1635 2 13 VAL HA 2 16 PHE H . . 4.310 3.545 3.235 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 1636 2 13 VAL HB 2 14 THR H . . 4.250 3.953 3.814 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 1637 2 13 VAL QG 2 14 THR H . . 4.220 2.427 2.278 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 1638 2 13 VAL QG 2 14 THR HA . . 5.170 3.474 3.327 3.685 . 0 0 "[ . 1 . 2 . 3 ]" 1 1639 2 13 VAL QG 2 14 THR MG . . 6.180 4.273 2.710 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 1640 2 13 VAL QG 2 16 PHE H . . 5.170 4.740 4.558 5.042 . 0 0 "[ . 1 . 2 . 3 ]" 1 1641 2 13 VAL MG1 2 14 THR H . . 4.840 4.117 4.043 4.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 1642 2 13 VAL MG2 2 14 THR H . . 4.840 2.445 2.289 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 1643 2 14 THR H 2 14 THR MG . . 3.980 3.655 2.381 3.804 . 0 0 "[ . 1 . 2 . 3 ]" 1 1644 2 14 THR H 2 15 THR H . . 4.270 2.725 2.600 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 1645 2 14 THR H 2 15 THR HG1 . . 5.940 5.488 5.039 5.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 1646 2 14 THR H 2 16 PHE H . . 5.220 4.315 3.957 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 1647 2 14 THR HA 2 17 HIS H . . 5.220 3.871 3.362 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 1648 2 14 THR HA 2 17 HIS HB2 . . 4.710 3.850 2.405 4.719 0.009 20 0 "[ . 1 . 2 . 3 ]" 1 1649 2 14 THR HA 2 17 HIS QB . . 3.970 3.058 2.384 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 1650 2 14 THR HA 2 17 HIS HB3 . . 4.710 3.400 2.517 4.771 0.061 26 0 "[ . 1 . 2 . 3 ]" 1 1651 2 14 THR HB 2 15 THR H . . 4.080 2.769 2.323 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 1652 2 14 THR MG 2 15 THR H . . 5.750 3.591 3.207 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 1653 2 14 THR MG 2 15 THR HA . . 5.220 3.824 3.208 5.378 0.158 10 0 "[ . 1 . 2 . 3 ]" 1 1654 2 15 THR H 2 15 THR HG1 . . 4.430 3.294 3.071 3.820 . 0 0 "[ . 1 . 2 . 3 ]" 1 1655 2 15 THR H 2 15 THR MG . . 4.700 2.994 2.388 3.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 1656 2 15 THR H 2 16 PHE H . . 4.270 2.696 2.354 2.909 . 0 0 "[ . 1 . 2 . 3 ]" 1 1657 2 15 THR HA 2 18 LYS H . . 4.410 3.611 2.678 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 1658 2 15 THR HA 2 18 LYS HB2 . . 5.220 3.418 2.153 4.092 . 0 0 "[ . 1 . 2 . 3 ]" 1 1659 2 15 THR HA 2 18 LYS QB . . 4.590 3.171 2.102 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 1660 2 15 THR HA 2 18 LYS HB3 . . 5.220 3.960 2.641 5.286 0.066 14 0 "[ . 1 . 2 . 3 ]" 1 1661 2 15 THR HA 2 18 LYS QG . . 4.620 3.965 2.227 4.864 0.244 8 0 "[ . 1 . 2 . 3 ]" 1 1662 2 15 THR HA 2 19 TYR QE . . 5.030 4.177 3.328 5.151 0.121 6 0 "[ . 1 . 2 . 3 ]" 1 1663 2 15 THR HB 2 16 PHE H . . 4.420 3.138 2.419 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1 1664 2 15 THR HB 2 72 TYR HH . . 4.510 3.762 2.550 5.702 1.192 18 3 "[ . * . + 2 .- 3 ]" 1 1665 2 15 THR HG1 2 16 PHE H . . 5.700 3.953 3.168 5.031 . 0 0 "[ . 1 . 2 . 3 ]" 1 1666 2 15 THR MG 2 16 PHE H . . 5.220 3.931 3.395 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 1667 2 15 THR MG 2 19 TYR QD . . 5.220 4.780 3.394 5.306 0.086 15 0 "[ . 1 . 2 . 3 ]" 1 1668 2 15 THR MG 2 19 TYR QE . . 5.090 3.768 2.128 4.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 1669 2 15 THR MG 2 37 LEU MD1 . . 5.220 3.219 1.944 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 1670 2 15 THR MG 2 37 LEU MD2 . . 5.220 4.523 2.184 5.265 0.045 8 0 "[ . 1 . 2 . 3 ]" 1 1671 2 15 THR MG 2 41 GLU QB . . 5.220 3.154 1.900 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 1672 2 15 THR MG 2 41 GLU HG2 . . 5.220 3.248 2.054 4.696 . 0 0 "[ . 1 . 2 . 3 ]" 1 1673 2 15 THR MG 2 41 GLU HG3 . . 5.220 3.532 2.090 5.270 0.050 31 0 "[ . 1 . 2 . 3 ]" 1 1674 2 15 THR MG 2 72 TYR HH . . 6.270 4.269 2.735 5.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 1675 2 16 PHE H 2 16 PHE QD . . 5.210 4.155 4.067 4.210 . 0 0 "[ . 1 . 2 . 3 ]" 1 1676 2 16 PHE H 2 17 HIS H . . 4.530 2.882 2.679 3.046 . 0 0 "[ . 1 . 2 . 3 ]" 1 1677 2 16 PHE H 2 37 LEU QD . . 3.790 3.612 3.097 3.916 0.126 2 0 "[ . 1 . 2 . 3 ]" 1 1678 2 16 PHE H 2 72 TYR HH . . 4.700 3.927 2.619 6.203 1.503 18 1 "[ . 1 . + 2 . 3 ]" 1 1679 2 16 PHE HA 2 16 PHE QD . . 4.270 3.090 2.676 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 1680 2 16 PHE HA 2 16 PHE QE . . 5.220 4.862 4.685 5.048 . 0 0 "[ . 1 . 2 . 3 ]" 1 1681 2 16 PHE HA 2 19 TYR H . . 4.660 3.873 3.527 4.681 0.021 15 0 "[ . 1 . 2 . 3 ]" 1 1682 2 16 PHE HA 2 19 TYR QD . . 4.780 3.296 2.506 3.847 . 0 0 "[ . 1 . 2 . 3 ]" 1 1683 2 16 PHE HA 2 19 TYR QE . . 5.450 4.967 4.108 5.552 0.102 31 0 "[ . 1 . 2 . 3 ]" 1 1684 2 16 PHE HA 2 29 LEU QD . . 5.170 3.665 3.243 4.030 . 0 0 "[ . 1 . 2 . 3 ]" 1 1685 2 16 PHE HA 2 37 LEU QD . . 5.070 2.303 2.017 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 1686 2 16 PHE HA 2 72 TYR HH . . 5.000 4.549 3.639 5.490 0.490 10 0 "[ . 1 . 2 . 3 ]" 1 1687 2 16 PHE QB 2 37 LEU QD . . 5.030 3.164 2.636 3.732 . 0 0 "[ . 1 . 2 . 3 ]" 1 1688 2 16 PHE QB 2 72 TYR HH . . 5.330 3.543 2.445 5.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 1689 2 16 PHE QD 2 72 TYR HH . . 6.270 4.427 3.789 5.138 . 0 0 "[ . 1 . 2 . 3 ]" 1 1690 2 16 PHE HZ 2 27 LEU HA . . 5.310 4.393 3.552 5.395 0.085 3 0 "[ . 1 . 2 . 3 ]" 1 1691 2 16 PHE HZ 2 28 THR HA . . 4.270 2.481 2.045 2.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 1692 2 16 PHE HZ 2 28 THR HB . . 4.830 4.821 4.512 4.943 0.113 13 0 "[ . 1 . 2 . 3 ]" 1 1693 2 16 PHE HZ 2 28 THR MG . . 6.270 4.113 3.700 4.546 . 0 0 "[ . 1 . 2 . 3 ]" 1 1694 2 16 PHE HZ 2 29 LEU MD1 . . 6.270 4.417 3.643 5.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 1695 2 16 PHE HZ 2 29 LEU MD2 . . 6.270 2.612 2.263 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 1696 2 16 PHE HZ 2 68 ASP HA . . 4.600 3.158 2.208 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 1697 2 16 PHE HZ 2 68 ASP QB . . 5.750 4.824 3.623 5.838 0.088 23 0 "[ . 1 . 2 . 3 ]" 1 1698 2 16 PHE HZ 2 69 PHE H . . 5.900 3.487 2.947 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 1699 2 16 PHE HZ 2 69 PHE HA . . 5.590 3.761 2.884 4.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 1700 2 17 HIS H 2 17 HIS QB . . 3.500 2.203 1.988 2.417 . 0 0 "[ . 1 . 2 . 3 ]" 1 1701 2 17 HIS H 2 18 LYS H . . 3.700 2.854 2.716 3.075 . 0 0 "[ . 1 . 2 . 3 ]" 1 1702 2 17 HIS HA 2 17 HIS HD2 . . 4.270 3.255 2.367 4.413 0.143 15 0 "[ . 1 . 2 . 3 ]" 1 1703 2 17 HIS HA 2 19 TYR H . . 5.220 3.690 3.071 4.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 1704 2 17 HIS HA 2 21 GLY H . . 5.220 3.265 2.404 4.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 1705 2 17 HIS HB2 2 18 LYS H . . 4.840 4.032 3.089 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 1706 2 17 HIS HB3 2 18 LYS H . . 4.840 3.149 2.571 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1 1707 2 17 HIS HD2 2 26 LYS HA . . 4.920 4.336 2.251 5.038 0.118 28 0 "[ . 1 . 2 . 3 ]" 1 1708 2 18 LYS H 2 18 LYS QB . . 3.560 2.227 1.977 2.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 1709 2 18 LYS H 2 18 LYS QD . . 5.220 4.202 3.537 4.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 1710 2 18 LYS H 2 18 LYS HG2 . . 5.220 3.984 2.044 4.565 . 0 0 "[ . 1 . 2 . 3 ]" 1 1711 2 18 LYS H 2 18 LYS HG3 . . 5.220 3.799 2.069 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 1712 2 18 LYS H 2 19 TYR H . . 4.460 2.788 2.509 3.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 1713 2 18 LYS H 2 19 TYR QD . . 5.000 3.635 2.855 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 1714 2 18 LYS QB 2 19 TYR QD . . 4.350 2.573 2.151 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 1715 2 18 LYS HB2 2 19 TYR H . . 4.930 3.820 2.944 4.430 . 0 0 "[ . 1 . 2 . 3 ]" 1 1716 2 18 LYS HB2 2 19 TYR QE . . 4.780 3.927 2.363 4.836 0.056 3 0 "[ . 1 . 2 . 3 ]" 1 1717 2 18 LYS HB3 2 19 TYR H . . 4.930 3.452 2.621 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 1718 2 18 LYS HB3 2 19 TYR QE . . 4.780 3.281 2.554 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 1719 2 18 LYS QD 2 19 TYR QD . . 5.170 3.840 2.798 5.253 0.083 15 0 "[ . 1 . 2 . 3 ]" 1 1720 2 18 LYS QD 2 19 TYR QE . . 4.820 3.146 2.240 4.889 0.069 22 0 "[ . 1 . 2 . 3 ]" 1 1721 2 18 LYS QE 2 18 LYS QG . . 3.200 2.318 2.053 2.900 . 0 0 "[ . 1 . 2 . 3 ]" 1 1722 2 18 LYS HG2 2 19 TYR QE . . 6.270 4.788 3.114 6.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 1723 2 18 LYS HG3 2 19 TYR QE . . 6.270 4.517 3.085 5.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 1724 2 19 TYR H 2 19 TYR QD . . 4.020 2.559 2.016 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 1 1725 2 19 TYR H 2 19 TYR QE . . 5.040 4.671 4.137 5.107 0.067 15 0 "[ . 1 . 2 . 3 ]" 1 1726 2 19 TYR H 2 20 SER H . . 4.590 2.326 1.958 3.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 1727 2 19 TYR H 2 21 GLY H . . 5.220 3.720 3.063 5.371 0.151 15 0 "[ . 1 . 2 . 3 ]" 1 1728 2 19 TYR H 2 29 LEU MD1 . . 6.270 4.141 3.566 4.432 . 0 0 "[ . 1 . 2 . 3 ]" 1 1729 2 19 TYR H 2 29 LEU QD . . 4.960 4.069 3.512 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 1730 2 19 TYR H 2 29 LEU MD2 . . 6.270 6.023 5.269 6.326 0.056 9 0 "[ . 1 . 2 . 3 ]" 1 1731 2 19 TYR H 2 37 LEU QD . . 4.920 3.972 3.472 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 1732 2 19 TYR HA 2 19 TYR QD . . 4.270 3.076 2.824 3.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 1733 2 19 TYR HA 2 19 TYR QE . . 4.940 4.758 4.467 4.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 1734 2 19 TYR HA 2 22 ARG QD . . 4.200 2.975 2.001 4.306 0.106 7 0 "[ . 1 . 2 . 3 ]" 1 1735 2 19 TYR HA 2 22 ARG HE . . 5.160 4.252 1.923 5.324 0.164 19 0 "[ . 1 . 2 . 3 ]" 1 1736 2 19 TYR QB 2 29 LEU QD . . 4.240 2.133 1.923 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 1737 2 19 TYR QB 2 37 LEU QD . . 5.430 2.757 2.253 3.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 1738 2 19 TYR HB2 2 29 LEU MD1 . . 5.690 2.406 2.146 2.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 1739 2 19 TYR HB2 2 29 LEU MD2 . . 5.690 4.627 4.129 5.167 . 0 0 "[ . 1 . 2 . 3 ]" 1 1740 2 19 TYR HB3 2 29 LEU MD1 . . 5.690 2.446 2.053 3.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 1741 2 19 TYR HB3 2 29 LEU MD2 . . 5.690 5.030 4.479 5.718 0.028 1 0 "[ . 1 . 2 . 3 ]" 1 1742 2 19 TYR QD 2 20 SER H . . 5.580 4.215 3.554 4.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 1743 2 19 TYR QD 2 22 ARG QD . . 4.730 4.301 3.415 4.843 0.113 29 0 "[ . 1 . 2 . 3 ]" 1 1744 2 19 TYR QD 2 29 LEU QD . . 5.840 3.655 3.256 4.175 . 0 0 "[ . 1 . 2 . 3 ]" 1 1745 2 19 TYR QD 2 36 GLU HG2 . . 5.690 4.589 2.985 5.699 0.009 20 0 "[ . 1 . 2 . 3 ]" 1 1746 2 19 TYR QD 2 36 GLU QG . . 4.940 4.215 2.639 5.032 0.092 20 0 "[ . 1 . 2 . 3 ]" 1 1747 2 19 TYR QD 2 36 GLU HG3 . . 5.690 5.090 2.940 5.795 0.105 23 0 "[ . 1 . 2 . 3 ]" 1 1748 2 19 TYR QD 2 37 LEU H . . 5.300 4.364 3.306 5.397 0.097 16 0 "[ . 1 . 2 . 3 ]" 1 1749 2 19 TYR QD 2 37 LEU HA . . 5.170 4.014 3.305 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 1750 2 19 TYR QD 2 37 LEU QD . . 5.170 2.273 1.976 2.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 1751 2 19 TYR QD 2 37 LEU HG . . 5.240 4.822 2.868 5.307 0.067 16 0 "[ . 1 . 2 . 3 ]" 1 1752 2 19 TYR QE 2 29 LEU QD . . 6.180 5.100 4.532 5.755 . 0 0 "[ . 1 . 2 . 3 ]" 1 1753 2 19 TYR QE 2 36 GLU QB . . 4.600 3.774 2.359 4.633 0.033 28 0 "[ . 1 . 2 . 3 ]" 1 1754 2 19 TYR QE 2 36 GLU HG2 . . 4.670 3.670 2.165 4.773 0.103 12 0 "[ . 1 . 2 . 3 ]" 1 1755 2 19 TYR QE 2 36 GLU QG . . 4.040 3.141 2.115 4.125 0.085 23 0 "[ . 1 . 2 . 3 ]" 1 1756 2 19 TYR QE 2 36 GLU HG3 . . 4.670 3.766 2.158 4.761 0.091 23 0 "[ . 1 . 2 . 3 ]" 1 1757 2 19 TYR QE 2 37 LEU H . . 5.400 4.417 3.420 5.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 1758 2 19 TYR QE 2 37 LEU HA . . 4.370 3.162 2.623 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 1759 2 19 TYR QE 2 37 LEU QD . . 5.170 2.336 1.831 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 1760 2 19 TYR QE 2 37 LEU HG . . 4.870 4.720 2.526 5.024 0.154 6 0 "[ . 1 . 2 . 3 ]" 1 1761 2 19 TYR QE 2 40 LYS QD . . 4.740 4.251 2.007 4.919 0.179 25 0 "[ . 1 . 2 . 3 ]" 1 1762 2 19 TYR QE 2 40 LYS QE . . 6.230 4.451 3.340 5.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 1763 2 19 TYR QE 2 41 GLU H . . 5.800 5.042 3.912 5.897 0.097 14 0 "[ . 1 . 2 . 3 ]" 1 1764 2 19 TYR QE 2 41 GLU QG . . 4.540 3.561 2.141 4.660 0.120 23 0 "[ . 1 . 2 . 3 ]" 1 1765 2 20 SER H 2 21 GLY H . . 5.220 2.760 2.104 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 1766 2 20 SER HA 2 28 THR H . . 6.270 5.056 3.882 6.392 0.122 18 0 "[ . 1 . 2 . 3 ]" 1 1767 2 20 SER HA 2 29 LEU HB2 . . 5.220 3.266 2.275 4.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 1768 2 20 SER HA 2 29 LEU HB3 . . 5.220 2.797 2.191 3.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 1769 2 20 SER HA 2 29 LEU MD1 . . 5.670 3.803 2.379 4.898 . 0 0 "[ . 1 . 2 . 3 ]" 1 1770 2 20 SER HA 2 29 LEU QD . . 4.670 3.613 2.364 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1 1771 2 20 SER HA 2 29 LEU MD2 . . 5.670 4.654 4.097 5.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 1772 2 20 SER QB 2 28 THR H . . 5.150 3.358 2.579 4.861 . 0 0 "[ . 1 . 2 . 3 ]" 1 1773 2 21 GLY H 2 22 ARG H . . 4.870 3.028 1.799 4.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 1774 2 22 ARG H 2 22 ARG QD . . 4.660 3.786 2.158 5.041 0.381 8 0 "[ . 1 . 2 . 3 ]" 1 1775 2 22 ARG H 2 22 ARG HG2 . . 4.620 3.833 2.087 4.772 0.152 19 0 "[ . 1 . 2 . 3 ]" 1 1776 2 22 ARG H 2 22 ARG QG . . 4.060 2.888 1.892 3.957 . 0 0 "[ . 1 . 2 . 3 ]" 1 1777 2 22 ARG H 2 22 ARG HG3 . . 4.620 3.110 1.995 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 1778 2 22 ARG H 2 23 GLU H . . 4.270 2.555 1.912 3.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 1779 2 22 ARG H 2 23 GLU HA . . 5.220 4.993 4.045 5.435 0.215 30 0 "[ . 1 . 2 . 3 ]" 1 1780 2 22 ARG H 2 23 GLU QB . . 5.080 4.587 3.682 5.205 0.125 6 0 "[ . 1 . 2 . 3 ]" 1 1781 2 22 ARG HA 2 22 ARG QD . . 4.530 3.971 2.146 4.537 0.007 15 0 "[ . 1 . 2 . 3 ]" 1 1782 2 22 ARG HA 2 22 ARG HE . . 5.220 4.832 1.991 5.496 0.276 30 0 "[ . 1 . 2 . 3 ]" 1 1783 2 22 ARG HA 2 22 ARG QG . . 3.550 2.692 2.172 3.497 . 0 0 "[ . 1 . 2 . 3 ]" 1 1784 2 22 ARG HB2 2 22 ARG QD . . 3.620 2.595 2.035 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 1785 2 22 ARG HB2 2 22 ARG HE . . 5.220 3.223 1.804 4.759 . 0 0 "[ . 1 . 2 . 3 ]" 1 1786 2 22 ARG HB3 2 22 ARG QD . . 3.620 3.082 2.370 3.681 0.061 12 0 "[ . 1 . 2 . 3 ]" 1 1787 2 22 ARG HB3 2 22 ARG HE . . 5.220 3.481 1.961 5.184 . 0 0 "[ . 1 . 2 . 3 ]" 1 1788 2 22 ARG QD 2 23 GLU H . . 5.220 4.602 3.173 5.423 0.203 30 0 "[ . 1 . 2 . 3 ]" 1 1789 2 23 GLU H 2 23 GLU QG . . 4.210 3.377 2.179 4.253 0.043 2 0 "[ . 1 . 2 . 3 ]" 1 1790 2 23 GLU H 2 24 GLY H . . 4.840 3.655 1.939 4.700 . 0 0 "[ . 1 . 2 . 3 ]" 1 1791 2 23 GLU HA 2 23 GLU QG . . 3.720 2.459 2.135 3.464 . 0 0 "[ . 1 . 2 . 3 ]" 1 1792 2 23 GLU HB2 2 24 GLY H . . 3.950 3.320 2.414 4.080 0.130 15 0 "[ . 1 . 2 . 3 ]" 1 1793 2 23 GLU HB3 2 24 GLY H . . 3.950 2.802 1.850 4.021 0.071 4 0 "[ . 1 . 2 . 3 ]" 1 1794 2 23 GLU QG 2 24 GLY H . . 5.220 3.958 3.337 4.799 . 0 0 "[ . 1 . 2 . 3 ]" 1 1795 2 25 SER H 2 25 SER QB . . 3.340 2.726 2.241 3.326 . 0 0 "[ . 1 . 2 . 3 ]" 1 1796 2 25 SER H 2 26 LYS H . . 5.220 4.181 3.243 4.672 . 0 0 "[ . 1 . 2 . 3 ]" 1 1797 2 25 SER HA 2 27 LEU H . . 4.430 3.878 3.470 4.630 0.200 18 0 "[ . 1 . 2 . 3 ]" 1 1798 2 25 SER QB 2 26 LYS H . . 4.470 3.620 2.140 4.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 1799 2 25 SER QB 2 28 THR H . . 4.460 3.143 2.631 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 1800 2 25 SER HB2 2 26 LYS H . . 5.220 4.171 3.456 4.610 . 0 0 "[ . 1 . 2 . 3 ]" 1 1801 2 25 SER HB2 2 28 THR H . . 5.100 4.012 3.095 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 1802 2 25 SER HB3 2 26 LYS H . . 5.220 4.052 2.161 4.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 1803 2 25 SER HB3 2 28 THR H . . 5.100 3.647 2.652 5.237 0.137 30 0 "[ . 1 . 2 . 3 ]" 1 1804 2 26 LYS H 2 26 LYS QD . . 4.600 3.556 1.575 4.689 0.089 12 0 "[ . 1 . 2 . 3 ]" 1 1805 2 26 LYS H 2 26 LYS QG . . 4.630 2.481 1.780 3.298 . 0 0 "[ . 1 . 2 . 3 ]" 1 1806 2 26 LYS H 2 27 LEU H . . 4.410 2.710 2.029 3.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 1807 2 26 LYS H 2 27 LEU QD . . 5.170 4.162 1.894 5.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 1808 2 26 LYS H 2 28 THR H . . 5.260 4.268 2.662 4.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 1809 2 26 LYS HA 2 26 LYS QD . . 4.620 3.962 3.145 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1 1810 2 26 LYS HA 2 28 THR H . . 4.730 4.039 3.108 4.708 . 0 0 "[ . 1 . 2 . 3 ]" 1 1811 2 26 LYS QB 2 26 LYS QE . . 3.760 2.383 1.905 3.710 . 0 0 "[ . 1 . 2 . 3 ]" 1 1812 2 26 LYS HB2 2 26 LYS QE . . 4.330 2.609 1.917 4.372 0.042 13 0 "[ . 1 . 2 . 3 ]" 1 1813 2 26 LYS HB3 2 26 LYS QE . . 4.330 3.164 2.051 4.318 . 0 0 "[ . 1 . 2 . 3 ]" 1 1814 2 26 LYS QE 2 27 LEU QD . . 5.170 4.598 2.283 5.247 0.077 23 0 "[ . 1 . 2 . 3 ]" 1 1815 2 27 LEU H 2 27 LEU MD1 . . 4.660 3.990 1.508 4.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 1816 2 27 LEU H 2 27 LEU QD . . 4.020 3.094 1.507 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1 1817 2 27 LEU H 2 27 LEU MD2 . . 4.660 3.410 1.524 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 1818 2 27 LEU H 2 27 LEU HG . . 4.190 3.045 2.244 4.402 0.212 16 0 "[ . 1 . 2 . 3 ]" 1 1819 2 27 LEU H 2 28 THR H . . 4.050 2.181 1.765 2.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 1820 2 27 LEU H 2 28 THR MG . . 6.180 4.069 3.400 4.630 . 0 0 "[ . 1 . 2 . 3 ]" 1 1821 2 27 LEU HA 2 27 LEU QD . . 4.190 2.360 1.986 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 1822 2 27 LEU HA 2 28 THR MG . . 6.270 4.520 4.070 4.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 1823 2 27 LEU QB 2 28 THR H . . 4.080 3.353 2.665 3.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 1824 2 27 LEU QB 2 28 THR MG . . 4.750 3.146 2.251 3.992 . 0 0 "[ . 1 . 2 . 3 ]" 1 1825 2 27 LEU HB2 2 28 THR H . . 4.670 3.606 2.855 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 1826 2 27 LEU HB3 2 28 THR H . . 4.670 4.154 2.706 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 1827 2 27 LEU MD1 2 28 THR H . . 5.220 5.023 3.764 5.351 0.131 11 0 "[ . 1 . 2 . 3 ]" 1 1828 2 27 LEU MD2 2 28 THR H . . 5.220 4.556 3.126 5.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 1829 2 27 LEU HG 2 28 THR H . . 5.010 4.528 2.911 5.329 0.319 2 0 "[ . 1 . 2 . 3 ]" 1 1830 2 28 THR H 2 28 THR MG . . 4.400 3.030 2.375 3.372 . 0 0 "[ . 1 . 2 . 3 ]" 1 1831 2 28 THR H 2 29 LEU H . . 5.130 4.481 4.370 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 1832 2 28 THR HA 2 66 GLU QB . . 4.980 4.468 4.014 4.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 1833 2 28 THR HA 2 67 ILE H . . 5.140 4.394 3.931 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 1834 2 28 THR HA 2 68 ASP HA . . 4.270 2.764 2.109 3.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 1835 2 28 THR HB 2 29 LEU H . . 4.270 2.432 2.142 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1 1836 2 28 THR HB 2 66 GLU QB . . 4.770 2.354 2.041 2.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 1837 2 28 THR HB 2 67 ILE H . . 4.860 3.401 2.562 4.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 1838 2 28 THR HB 2 68 ASP HA . . 4.650 4.078 3.197 4.703 0.053 15 0 "[ . 1 . 2 . 3 ]" 1 1839 2 28 THR MG 2 29 LEU H . . 4.650 3.654 3.377 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 1840 2 28 THR MG 2 66 GLU QB . . 4.720 3.118 2.413 3.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 1841 2 28 THR MG 2 67 ILE H . . 6.270 4.273 3.410 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 1842 2 28 THR MG 2 68 ASP H . . 5.220 3.989 3.406 5.054 . 0 0 "[ . 1 . 2 . 3 ]" 1 1843 2 28 THR MG 2 68 ASP HA . . 4.830 2.426 2.005 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 1844 2 28 THR MG 2 68 ASP HB2 . . 5.220 3.048 2.437 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 1845 2 28 THR MG 2 68 ASP HB3 . . 5.220 3.370 2.209 5.216 . 0 0 "[ . 1 . 2 . 3 ]" 1 1846 2 29 LEU H 2 29 LEU MD1 . . 5.220 4.452 4.161 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 1847 2 29 LEU H 2 29 LEU QD . . 4.490 2.184 1.883 2.570 . 0 0 "[ . 1 . 2 . 3 ]" 1 1848 2 29 LEU H 2 29 LEU MD2 . . 5.220 2.190 1.886 2.582 . 0 0 "[ . 1 . 2 . 3 ]" 1 1849 2 29 LEU H 2 29 LEU HG . . 4.290 3.920 3.564 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1 1850 2 29 LEU H 2 30 SER H . . 5.120 4.443 4.371 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 1851 2 29 LEU H 2 66 GLU HB2 . . 5.220 5.222 3.775 5.451 0.231 9 0 "[ . 1 . 2 . 3 ]" 1 1852 2 29 LEU H 2 66 GLU QB . . 4.600 3.506 2.528 4.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 1853 2 29 LEU H 2 66 GLU HB3 . . 5.220 3.565 2.568 4.263 . 0 0 "[ . 1 . 2 . 3 ]" 1 1854 2 29 LEU H 2 67 ILE H . . 4.490 2.622 2.182 2.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 1855 2 29 LEU H 2 68 ASP HA . . 4.800 4.231 3.814 4.806 0.006 7 0 "[ . 1 . 2 . 3 ]" 1 1856 2 29 LEU QB 2 30 SER H . . 4.020 2.537 2.225 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 1857 2 29 LEU QB 2 33 GLU QG . . 4.540 3.213 2.264 3.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 1858 2 29 LEU HB2 2 30 SER H . . 4.700 2.568 2.242 2.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 1859 2 29 LEU HB2 2 33 GLU QG . . 5.150 3.287 2.289 4.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 1860 2 29 LEU HB3 2 30 SER H . . 4.700 3.976 3.731 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 1861 2 29 LEU HB3 2 33 GLU QG . . 5.150 4.603 3.593 5.270 0.120 3 0 "[ . 1 . 2 . 3 ]" 1 1862 2 29 LEU QD 2 30 SER H . . 4.590 3.669 3.301 4.027 . 0 0 "[ . 1 . 2 . 3 ]" 1 1863 2 29 LEU QD 2 33 GLU H . . 5.170 4.443 4.027 4.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 1864 2 29 LEU QD 2 33 GLU QG . . 5.170 2.781 2.041 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 1865 2 29 LEU QD 2 34 LEU H . . 4.330 3.154 2.819 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 1866 2 29 LEU QD 2 34 LEU HA . . 4.780 2.536 2.018 3.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 1867 2 29 LEU QD 2 34 LEU QB . . 5.970 2.380 2.040 3.423 . 0 0 "[ . 1 . 2 . 3 ]" 1 1868 2 29 LEU QD 2 34 LEU QD . . 5.110 2.464 1.857 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 1869 2 29 LEU QD 2 67 ILE H . . 5.170 3.240 2.837 3.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 1870 2 29 LEU QD 2 67 ILE HB . . 5.040 3.091 2.140 4.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 1871 2 29 LEU MD1 2 30 SER H . . 5.220 4.080 3.651 4.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 1872 2 29 LEU MD1 2 34 LEU HA . . 6.270 2.627 2.045 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 1873 2 29 LEU MD2 2 30 SER H . . 5.220 4.172 3.739 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 1874 2 29 LEU MD2 2 34 LEU HA . . 6.270 3.635 2.740 4.466 . 0 0 "[ . 1 . 2 . 3 ]" 1 1875 2 29 LEU HG 2 30 SER H . . 4.530 3.187 2.475 3.811 . 0 0 "[ . 1 . 2 . 3 ]" 1 1876 2 30 SER H 2 31 ARG H . . 5.220 4.703 4.605 4.786 . 0 0 "[ . 1 . 2 . 3 ]" 1 1877 2 30 SER H 2 33 GLU H . . 5.020 4.033 3.417 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 1878 2 30 SER H 2 33 GLU HB2 . . 5.220 3.457 2.283 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1 1879 2 30 SER H 2 33 GLU HB3 . . 5.220 3.582 2.414 5.369 0.149 16 0 "[ . 1 . 2 . 3 ]" 1 1880 2 30 SER H 2 33 GLU QG . . 4.600 3.797 2.111 4.682 0.082 29 0 "[ . 1 . 2 . 3 ]" 1 1881 2 30 SER HA 2 66 GLU H . . 5.220 4.545 3.843 5.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 1882 2 30 SER HA 2 66 GLU HA . . 4.360 2.431 2.034 3.272 . 0 0 "[ . 1 . 2 . 3 ]" 1 1883 2 30 SER HA 2 66 GLU QG . . 4.740 3.707 2.588 4.554 . 0 0 "[ . 1 . 2 . 3 ]" 1 1884 2 30 SER HA 2 67 ILE H . . 4.730 3.657 3.284 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1 1885 2 30 SER QB 2 64 ASP HA . . 4.070 3.066 1.918 4.202 0.132 21 0 "[ . 1 . 2 . 3 ]" 1 1886 2 30 SER HB2 2 31 ARG H . . 5.160 3.004 2.397 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 1887 2 30 SER HB2 2 64 ASP HA . . 4.730 3.296 1.943 4.761 0.031 3 0 "[ . 1 . 2 . 3 ]" 1 1888 2 30 SER HB3 2 31 ARG H . . 5.160 3.882 2.941 4.391 . 0 0 "[ . 1 . 2 . 3 ]" 1 1889 2 30 SER HB3 2 64 ASP HA . . 4.730 4.199 2.074 4.925 0.195 21 0 "[ . 1 . 2 . 3 ]" 1 1890 2 31 ARG H 2 31 ARG HD2 . . 5.220 3.947 2.628 4.814 . 0 0 "[ . 1 . 2 . 3 ]" 1 1891 2 31 ARG H 2 31 ARG HD3 . . 5.220 4.456 3.366 5.463 0.243 20 0 "[ . 1 . 2 . 3 ]" 1 1892 2 31 ARG H 2 31 ARG QG . . 4.370 2.701 1.648 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1 1893 2 31 ARG HA 2 31 ARG HD2 . . 5.220 3.734 1.968 5.219 . 0 0 "[ . 1 . 2 . 3 ]" 1 1894 2 31 ARG HA 2 31 ARG HD3 . . 5.220 4.473 2.900 5.058 . 0 0 "[ . 1 . 2 . 3 ]" 1 1895 2 31 ARG HA 2 33 GLU H . . 5.220 4.466 3.867 5.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 1896 2 31 ARG HA 2 34 LEU H . . 4.560 3.474 3.086 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 1897 2 31 ARG HA 2 34 LEU QB . . 4.740 2.750 2.157 3.295 . 0 0 "[ . 1 . 2 . 3 ]" 1 1898 2 31 ARG HA 2 34 LEU QD . . 5.170 3.543 2.641 4.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 1899 2 31 ARG HA 2 35 LYS H . . 5.030 4.300 3.857 4.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 1900 2 31 ARG HA 2 67 ILE MD . . 5.120 2.258 1.843 4.270 . 0 0 "[ . 1 . 2 . 3 ]" 1 1901 2 31 ARG QB 2 34 LEU H . . 5.340 5.042 4.692 5.399 0.059 12 0 "[ . 1 . 2 . 3 ]" 1 1902 2 31 ARG QB 2 63 SER QB . . 5.080 3.949 3.358 4.549 . 0 0 "[ . 1 . 2 . 3 ]" 1 1903 2 31 ARG HB2 2 31 ARG HE . . 5.220 3.971 2.676 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 1904 2 31 ARG HB3 2 31 ARG HE . . 5.220 3.579 2.011 5.280 0.060 6 0 "[ . 1 . 2 . 3 ]" 1 1905 2 31 ARG QD 2 34 LEU QD . . 5.030 4.680 3.085 5.090 0.060 25 0 "[ . 1 . 2 . 3 ]" 1 1906 2 31 ARG QD 2 59 LEU HA . . 4.330 3.539 2.459 4.440 0.110 28 0 "[ . 1 . 2 . 3 ]" 1 1907 2 31 ARG QD 2 59 LEU QD . . 4.600 3.448 2.126 4.109 . 0 0 "[ . 1 . 2 . 3 ]" 1 1908 2 31 ARG QD 2 63 SER HA . . 4.530 4.022 2.613 4.668 0.138 7 0 "[ . 1 . 2 . 3 ]" 1 1909 2 31 ARG QD 2 67 ILE MD . . 5.080 2.921 1.881 5.094 0.014 19 0 "[ . 1 . 2 . 3 ]" 1 1910 2 31 ARG HD2 2 59 LEU HA . . 5.050 4.325 3.220 5.200 0.150 20 0 "[ . 1 . 2 . 3 ]" 1 1911 2 31 ARG HD2 2 63 SER HA . . 5.220 4.843 2.661 5.301 0.081 17 0 "[ . 1 . 2 . 3 ]" 1 1912 2 31 ARG HD2 2 65 GLN H . . 5.220 4.893 4.053 5.645 0.425 25 0 "[ . 1 . 2 . 3 ]" 1 1913 2 31 ARG HD3 2 59 LEU HA . . 5.050 3.975 2.490 5.142 0.092 28 0 "[ . 1 . 2 . 3 ]" 1 1914 2 31 ARG HD3 2 63 SER HA . . 5.220 4.402 2.694 5.298 0.078 9 0 "[ . 1 . 2 . 3 ]" 1 1915 2 31 ARG HD3 2 65 GLN H . . 5.220 4.687 3.597 5.456 0.236 30 0 "[ . 1 . 2 . 3 ]" 1 1916 2 31 ARG HE 2 59 LEU QD . . 5.170 3.157 1.883 5.295 0.125 15 0 "[ . 1 . 2 . 3 ]" 1 1917 2 31 ARG QG 2 63 SER HA . . 4.290 2.683 1.975 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 1918 2 31 ARG QG 2 63 SER QB . . 4.340 4.168 3.579 4.482 0.142 6 0 "[ . 1 . 2 . 3 ]" 1 1919 2 31 ARG HG2 2 63 SER H . . 5.220 3.872 2.207 5.330 0.110 16 0 "[ . 1 . 2 . 3 ]" 1 1920 2 31 ARG HG3 2 63 SER H . . 5.220 3.568 1.805 5.530 0.310 29 0 "[ . 1 . 2 . 3 ]" 1 1921 2 32 LYS H 2 32 LYS QB . . 3.490 2.207 1.991 2.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 1922 2 32 LYS H 2 32 LYS QG . . 4.250 3.342 1.975 4.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 1923 2 32 LYS H 2 33 GLU H . . 4.410 2.752 2.430 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1 1924 2 32 LYS H 2 63 SER QB . . 5.220 4.154 2.959 5.334 0.114 29 0 "[ . 1 . 2 . 3 ]" 1 1925 2 32 LYS HA 2 32 LYS QD . . 3.830 3.376 2.157 3.993 0.163 16 0 "[ . 1 . 2 . 3 ]" 1 1926 2 32 LYS HA 2 32 LYS QE . . 4.500 4.229 2.168 4.663 0.163 9 0 "[ . 1 . 2 . 3 ]" 1 1927 2 32 LYS HA 2 32 LYS QG . . 3.820 2.408 2.044 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 1928 2 32 LYS HA 2 35 LYS H . . 4.860 3.648 2.823 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 1929 2 32 LYS HA 2 36 GLU H . . 5.020 4.594 4.002 5.050 0.030 17 0 "[ . 1 . 2 . 3 ]" 1 1930 2 32 LYS HB2 2 33 GLU H . . 4.470 3.401 2.348 4.202 . 0 0 "[ . 1 . 2 . 3 ]" 1 1931 2 32 LYS HB3 2 33 GLU H . . 4.470 3.106 2.320 4.538 0.068 9 0 "[ . 1 . 2 . 3 ]" 1 1932 2 32 LYS QD 2 32 LYS QE . . 2.280 2.073 1.978 2.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 1933 2 32 LYS QD 2 63 SER QB . . 4.630 3.482 2.174 4.730 0.100 26 0 "[ . 1 . 2 . 3 ]" 1 1934 2 32 LYS QG 2 33 GLU H . . 4.950 4.201 3.340 4.628 . 0 0 "[ . 1 . 2 . 3 ]" 1 1935 2 32 LYS QG 2 63 SER QB . . 4.700 3.329 2.048 4.748 0.048 30 0 "[ . 1 . 2 . 3 ]" 1 1936 2 33 GLU H 2 33 GLU QG . . 4.190 3.561 2.370 4.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 1937 2 33 GLU H 2 34 LEU H . . 4.040 2.771 2.375 3.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 1938 2 33 GLU HA 2 35 LYS H . . 5.220 4.403 3.914 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 1939 2 33 GLU HA 2 36 GLU H . . 4.270 3.205 2.666 3.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 1940 2 33 GLU HA 2 36 GLU QB . . 3.640 2.572 2.015 3.336 . 0 0 "[ . 1 . 2 . 3 ]" 1 1941 2 33 GLU QG 2 34 LEU H . . 4.650 4.124 3.472 4.705 0.055 4 0 "[ . 1 . 2 . 3 ]" 1 1942 2 34 LEU H 2 34 LEU MD1 . . 4.740 4.154 3.933 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 1943 2 34 LEU H 2 34 LEU MD2 . . 4.740 4.266 4.074 4.429 . 0 0 "[ . 1 . 2 . 3 ]" 1 1944 2 34 LEU H 2 34 LEU HG . . 4.510 4.431 4.227 4.510 0.000 18 0 "[ . 1 . 2 . 3 ]" 1 1945 2 34 LEU H 2 35 LYS H . . 4.440 2.871 2.738 3.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 1946 2 34 LEU H 2 35 LYS QB . . 4.970 4.599 4.276 5.006 0.036 17 0 "[ . 1 . 2 . 3 ]" 1 1947 2 34 LEU H 2 36 GLU H . . 5.220 4.191 3.996 4.612 . 0 0 "[ . 1 . 2 . 3 ]" 1 1948 2 34 LEU H 2 67 ILE MD . . 5.040 4.091 2.700 5.093 0.053 19 0 "[ . 1 . 2 . 3 ]" 1 1949 2 34 LEU HA 2 37 LEU H . . 5.220 3.342 3.090 3.639 . 0 0 "[ . 1 . 2 . 3 ]" 1 1950 2 34 LEU HA 2 37 LEU HB2 . . 4.870 3.347 2.291 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 1951 2 34 LEU HA 2 37 LEU HB3 . . 4.870 2.442 2.138 3.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 1952 2 34 LEU HA 2 37 LEU QD . . 5.170 2.771 2.290 3.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 1953 2 34 LEU HA 2 38 ILE H . . 5.220 4.087 3.666 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 1954 2 34 LEU QB 2 35 LYS H . . 4.410 2.622 2.250 2.906 . 0 0 "[ . 1 . 2 . 3 ]" 1 1955 2 34 LEU QD 2 35 LYS H . . 4.350 3.820 2.975 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1 1956 2 34 LEU QD 2 37 LEU QD . . 5.110 2.255 1.810 3.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 1957 2 34 LEU QD 2 38 ILE H . . 6.040 3.723 3.088 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 1958 2 34 LEU QD 2 38 ILE QG . . 5.500 2.781 2.190 3.489 . 0 0 "[ . 1 . 2 . 3 ]" 1 1959 2 34 LEU QD 2 67 ILE HB . . 5.170 3.425 2.312 4.425 . 0 0 "[ . 1 . 2 . 3 ]" 1 1960 2 34 LEU QD 2 67 ILE MD . . 4.570 1.932 1.590 2.526 . 0 0 "[ . 1 . 2 . 3 ]" 1 1961 2 34 LEU QD 2 67 ILE QG . . 5.030 3.433 2.105 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 1962 2 34 LEU QD 2 67 ILE MG . . 5.170 2.576 1.791 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 1963 2 34 LEU QD 2 72 TYR H . . 5.170 3.763 3.170 4.283 . 0 0 "[ . 1 . 2 . 3 ]" 1 1964 2 34 LEU QD 2 72 TYR HA . . 4.150 2.409 1.955 2.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 1965 2 34 LEU QD 2 72 TYR QB . . 5.960 2.394 2.025 3.100 . 0 0 "[ . 1 . 2 . 3 ]" 1 1966 2 34 LEU QD 2 75 PHE QB . . 4.690 3.011 2.330 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 1967 2 34 LEU QD 2 75 PHE QD . . 4.830 3.480 2.731 4.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 1968 2 34 LEU QD 2 75 PHE QE . . 5.260 4.111 3.249 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 1969 2 34 LEU MD1 2 35 LYS H . . 5.220 4.412 3.101 4.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 1970 2 34 LEU MD1 2 38 ILE MD . . 5.220 2.567 2.025 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 1971 2 34 LEU MD1 2 67 ILE MD . . 5.220 3.528 1.916 4.596 . 0 0 "[ . 1 . 2 . 3 ]" 1 1972 2 34 LEU MD1 2 72 TYR HA . . 4.840 2.817 2.055 4.211 . 0 0 "[ . 1 . 2 . 3 ]" 1 1973 2 34 LEU MD1 2 75 PHE QD . . 5.790 4.468 2.762 5.742 . 0 0 "[ . 1 . 2 . 3 ]" 1 1974 2 34 LEU MD1 2 75 PHE QE . . 6.270 5.234 3.279 6.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 1975 2 34 LEU MD2 2 35 LYS H . . 5.220 4.256 3.004 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 1976 2 34 LEU MD2 2 38 ILE MD . . 5.220 3.221 2.091 5.016 . 0 0 "[ . 1 . 2 . 3 ]" 1 1977 2 34 LEU MD2 2 67 ILE MD . . 5.220 1.984 1.698 3.380 . 0 0 "[ . 1 . 2 . 3 ]" 1 1978 2 34 LEU MD2 2 72 TYR HA . . 4.840 2.805 2.145 3.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 1979 2 34 LEU MD2 2 75 PHE QD . . 5.790 3.705 2.889 5.000 . 0 0 "[ . 1 . 2 . 3 ]" 1 1980 2 34 LEU MD2 2 75 PHE QE . . 6.270 4.391 3.371 5.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 1981 2 34 LEU HG 2 75 PHE QD . . 5.530 4.952 4.250 5.558 0.028 18 0 "[ . 1 . 2 . 3 ]" 1 1982 2 34 LEU HG 2 75 PHE QE . . 5.540 5.143 4.497 5.710 0.170 25 0 "[ . 1 . 2 . 3 ]" 1 1983 2 35 LYS H 2 35 LYS HB2 . . 3.900 2.922 1.982 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1 1984 2 35 LYS H 2 35 LYS QB . . 3.420 2.165 1.942 2.501 . 0 0 "[ . 1 . 2 . 3 ]" 1 1985 2 35 LYS H 2 35 LYS HB3 . . 3.900 2.333 1.976 2.789 . 0 0 "[ . 1 . 2 . 3 ]" 1 1986 2 35 LYS H 2 35 LYS QD . . 4.800 4.268 3.245 4.827 0.027 14 0 "[ . 1 . 2 . 3 ]" 1 1987 2 35 LYS H 2 35 LYS QE . . 5.220 4.656 3.778 5.441 0.221 20 0 "[ . 1 . 2 . 3 ]" 1 1988 2 35 LYS H 2 35 LYS HG2 . . 4.520 3.728 1.927 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1 1989 2 35 LYS H 2 35 LYS QG . . 3.920 3.433 1.911 3.961 0.041 20 0 "[ . 1 . 2 . 3 ]" 1 1990 2 35 LYS H 2 35 LYS HG3 . . 4.520 4.213 2.496 4.523 0.003 16 0 "[ . 1 . 2 . 3 ]" 1 1991 2 35 LYS H 2 36 GLU H . . 4.220 2.759 2.598 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 1 1992 2 35 LYS H 2 36 GLU HB2 . . 5.220 4.996 4.521 5.393 0.173 26 0 "[ . 1 . 2 . 3 ]" 1 1993 2 35 LYS H 2 36 GLU HB3 . . 5.220 5.116 4.746 5.465 0.245 21 0 "[ . 1 . 2 . 3 ]" 1 1994 2 35 LYS H 2 38 ILE MD . . 5.220 4.739 3.594 5.264 0.044 26 0 "[ . 1 . 2 . 3 ]" 1 1995 2 35 LYS HA 2 35 LYS QD . . 4.630 4.186 3.089 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 1996 2 35 LYS HA 2 35 LYS QE . . 5.220 4.126 2.923 5.319 0.099 31 0 "[ . 1 . 2 . 3 ]" 1 1997 2 35 LYS HA 2 38 ILE H . . 4.670 3.799 3.253 4.200 . 0 0 "[ . 1 . 2 . 3 ]" 1 1998 2 35 LYS HA 2 38 ILE HB . . 5.220 3.457 2.315 5.288 0.068 26 0 "[ . 1 . 2 . 3 ]" 1 1999 2 35 LYS HA 2 38 ILE MD . . 5.220 3.119 2.033 4.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 2000 2 35 LYS HA 2 38 ILE QG . . 4.620 4.067 2.300 4.694 0.074 6 0 "[ . 1 . 2 . 3 ]" 1 2001 2 35 LYS HA 2 38 ILE MG . . 5.220 4.479 3.375 5.240 0.020 2 0 "[ . 1 . 2 . 3 ]" 1 2002 2 35 LYS HA 2 39 LYS H . . 5.220 4.633 3.915 5.271 0.051 28 0 "[ . 1 . 2 . 3 ]" 1 2003 2 35 LYS HA 2 56 MET ME . . 4.090 2.678 1.763 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 2004 2 35 LYS QB 2 35 LYS QD . . 3.350 2.294 2.030 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 2005 2 35 LYS QB 2 36 GLU H . . 3.790 3.114 2.632 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 2006 2 35 LYS HB2 2 36 GLU H . . 4.360 4.131 3.629 4.419 0.059 28 0 "[ . 1 . 2 . 3 ]" 1 2007 2 35 LYS HB3 2 36 GLU H . . 4.360 3.272 2.678 4.187 . 0 0 "[ . 1 . 2 . 3 ]" 1 2008 2 35 LYS QD 2 36 GLU H . . 4.590 4.397 2.792 4.704 0.114 19 0 "[ . 1 . 2 . 3 ]" 1 2009 2 35 LYS QE 2 35 LYS QG . . 3.380 2.313 2.027 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 1 2010 2 35 LYS QE 2 56 MET ME . . 3.700 3.429 1.986 3.835 0.135 20 0 "[ . 1 . 2 . 3 ]" 1 2011 2 35 LYS QG 2 36 GLU H . . 4.530 3.311 2.417 4.537 0.007 9 0 "[ . 1 . 2 . 3 ]" 1 2012 2 35 LYS QG 2 56 MET ME . . 3.430 2.896 2.076 3.506 0.076 22 0 "[ . 1 . 2 . 3 ]" 1 2013 2 35 LYS HG2 2 36 GLU H . . 5.220 3.552 2.506 5.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 2014 2 35 LYS HG3 2 36 GLU H . . 5.220 4.228 2.579 5.280 0.060 25 0 "[ . 1 . 2 . 3 ]" 1 2015 2 36 GLU H 2 36 GLU HB2 . . 3.980 2.439 2.070 2.801 . 0 0 "[ . 1 . 2 . 3 ]" 1 2016 2 36 GLU H 2 36 GLU QB . . 3.490 2.214 2.036 2.397 . 0 0 "[ . 1 . 2 . 3 ]" 1 2017 2 36 GLU H 2 36 GLU HB3 . . 3.980 2.613 2.311 3.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 2018 2 36 GLU H 2 36 GLU HG2 . . 4.660 4.533 4.390 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 1 2019 2 36 GLU H 2 36 GLU QG . . 4.010 3.992 3.888 4.052 0.042 22 0 "[ . 1 . 2 . 3 ]" 1 2020 2 36 GLU H 2 36 GLU HG3 . . 4.660 4.434 4.326 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1 2021 2 36 GLU H 2 37 LEU H . . 4.220 2.664 2.403 2.867 . 0 0 "[ . 1 . 2 . 3 ]" 1 2022 2 36 GLU H 2 37 LEU HA . . 5.220 5.288 5.093 5.413 0.193 13 0 "[ . 1 . 2 . 3 ]" 1 2023 2 36 GLU H 2 38 ILE H . . 4.970 4.376 3.916 4.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 2024 2 36 GLU HA 2 36 GLU QG . . 3.640 2.610 2.155 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 1 2025 2 36 GLU HA 2 39 LYS H . . 4.510 3.629 2.875 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1 2026 2 36 GLU HB2 2 37 LEU H . . 4.270 3.797 3.442 4.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 2027 2 36 GLU HB3 2 37 LEU H . . 4.270 2.575 2.239 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1 2028 2 36 GLU QG 2 37 LEU H . . 4.390 3.737 3.185 4.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 2029 2 36 GLU QG 2 40 LYS QE . . 3.680 2.878 1.714 3.777 0.097 1 0 "[ . 1 . 2 . 3 ]" 1 2030 2 36 GLU QG 2 40 LYS QG . . 3.930 2.894 1.905 3.984 0.054 11 0 "[ . 1 . 2 . 3 ]" 1 2031 2 36 GLU HG2 2 37 LEU H . . 5.050 4.444 3.321 5.143 0.093 21 0 "[ . 1 . 2 . 3 ]" 1 2032 2 36 GLU HG2 2 40 LYS QD . . 4.190 4.042 2.045 4.443 0.253 25 0 "[ . 1 . 2 . 3 ]" 1 2033 2 36 GLU HG3 2 37 LEU H . . 5.050 4.170 3.452 5.018 . 0 0 "[ . 1 . 2 . 3 ]" 1 2034 2 36 GLU HG3 2 40 LYS QD . . 4.190 3.032 2.352 4.265 0.075 8 0 "[ . 1 . 2 . 3 ]" 1 2035 2 37 LEU H 2 37 LEU MD1 . . 4.380 4.229 3.581 4.389 0.009 28 0 "[ . 1 . 2 . 3 ]" 1 2036 2 37 LEU H 2 37 LEU MD2 . . 4.380 4.118 3.938 4.353 . 0 0 "[ . 1 . 2 . 3 ]" 1 2037 2 37 LEU H 2 37 LEU HG . . 5.160 4.261 3.345 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 2038 2 37 LEU H 2 38 ILE H . . 4.630 2.986 2.815 3.152 . 0 0 "[ . 1 . 2 . 3 ]" 1 2039 2 37 LEU H 2 39 LYS H . . 5.100 4.397 4.004 4.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 2040 2 37 LEU HA 2 40 LYS H . . 5.200 3.612 3.198 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 2041 2 37 LEU HA 2 40 LYS HB2 . . 4.990 2.912 2.361 3.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 2042 2 37 LEU HA 2 40 LYS HB3 . . 4.990 4.394 3.847 5.003 0.013 5 0 "[ . 1 . 2 . 3 ]" 1 2043 2 37 LEU HA 2 41 GLU H . . 4.960 3.774 2.961 4.272 . 0 0 "[ . 1 . 2 . 3 ]" 1 2044 2 37 LEU HA 2 41 GLU HG2 . . 5.220 4.358 2.682 5.342 0.122 10 0 "[ . 1 . 2 . 3 ]" 1 2045 2 37 LEU HA 2 41 GLU HG3 . . 5.220 4.120 3.535 5.279 0.059 31 0 "[ . 1 . 2 . 3 ]" 1 2046 2 37 LEU QB 2 38 ILE H . . 4.190 2.553 2.350 2.958 . 0 0 "[ . 1 . 2 . 3 ]" 1 2047 2 37 LEU QD 2 38 ILE H . . 4.270 3.626 3.203 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 2048 2 37 LEU QD 2 38 ILE HA . . 4.800 3.847 2.852 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 2049 2 37 LEU QD 2 41 GLU H . . 4.950 3.613 2.844 4.297 . 0 0 "[ . 1 . 2 . 3 ]" 1 2050 2 37 LEU QD 2 41 GLU QG . . 5.900 2.105 1.809 3.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 2051 2 37 LEU QD 2 72 TYR HH . . 6.180 2.881 1.521 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 2052 2 37 LEU HG 2 41 GLU H . . 5.220 4.824 3.867 5.314 0.094 23 0 "[ . 1 . 2 . 3 ]" 1 2053 2 38 ILE H 2 38 ILE MD . . 4.520 3.426 2.986 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 2054 2 38 ILE H 2 38 ILE HG12 . . 4.270 3.459 1.988 3.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 2055 2 38 ILE H 2 38 ILE QG . . 3.730 2.172 1.970 2.320 . 0 0 "[ . 1 . 2 . 3 ]" 1 2056 2 38 ILE H 2 38 ILE HG13 . . 4.270 2.271 2.027 3.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 2057 2 38 ILE H 2 38 ILE MG . . 4.470 3.601 2.174 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 2058 2 38 ILE H 2 39 LYS H . . 4.220 2.850 2.682 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 2059 2 38 ILE HA 2 38 ILE MD . . 4.740 3.849 3.743 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 2060 2 38 ILE HA 2 40 LYS H . . 5.220 4.142 3.453 4.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 2061 2 38 ILE HA 2 41 GLU H . . 5.050 3.779 3.215 4.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 2062 2 38 ILE HA 2 42 LEU H . . 4.660 3.629 2.953 4.775 0.115 6 0 "[ . 1 . 2 . 3 ]" 1 2063 2 38 ILE HB 2 39 LYS H . . 4.710 3.116 2.601 4.211 . 0 0 "[ . 1 . 2 . 3 ]" 1 2064 2 38 ILE HB 2 39 LYS HA . . 5.220 4.827 4.548 5.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 2065 2 38 ILE HB 2 75 PHE QD . . 6.270 5.209 4.140 5.883 . 0 0 "[ . 1 . 2 . 3 ]" 1 2066 2 38 ILE HB 2 75 PHE QE . . 4.440 4.420 3.643 4.544 0.104 3 0 "[ . 1 . 2 . 3 ]" 1 2067 2 38 ILE MD 2 39 LYS H . . 4.950 4.780 3.124 5.047 0.097 19 0 "[ . 1 . 2 . 3 ]" 1 2068 2 38 ILE MD 2 56 MET ME . . 4.360 3.281 1.897 4.409 0.049 18 0 "[ . 1 . 2 . 3 ]" 1 2069 2 38 ILE MD 2 75 PHE QD . . 4.870 2.501 2.064 4.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 2070 2 38 ILE MD 2 75 PHE QE . . 4.920 2.537 2.165 3.000 . 0 0 "[ . 1 . 2 . 3 ]" 1 2071 2 38 ILE QG 2 39 LYS H . . 4.410 4.157 2.652 4.439 0.029 27 0 "[ . 1 . 2 . 3 ]" 1 2072 2 38 ILE QG 2 75 PHE QD . . 4.950 4.109 3.213 4.968 0.018 25 0 "[ . 1 . 2 . 3 ]" 1 2073 2 38 ILE QG 2 75 PHE QE . . 4.880 4.393 3.245 4.916 0.036 17 0 "[ . 1 . 2 . 3 ]" 1 2074 2 38 ILE HG12 2 75 PHE QD . . 5.710 4.360 3.268 5.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 2075 2 38 ILE HG12 2 75 PHE QE . . 5.560 4.785 3.315 5.585 0.025 10 0 "[ . 1 . 2 . 3 ]" 1 2076 2 38 ILE HG13 2 75 PHE QD . . 5.710 5.125 4.570 5.732 0.022 26 0 "[ . 1 . 2 . 3 ]" 1 2077 2 38 ILE HG13 2 75 PHE QE . . 5.560 5.233 4.628 5.598 0.038 6 0 "[ . 1 . 2 . 3 ]" 1 2078 2 38 ILE MG 2 39 LYS H . . 4.660 3.596 3.107 4.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 2079 2 39 LYS H 2 39 LYS HB2 . . 3.390 2.175 2.028 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 2080 2 39 LYS H 2 39 LYS HB3 . . 3.390 3.390 2.325 3.580 0.190 14 0 "[ . 1 . 2 . 3 ]" 1 2081 2 39 LYS H 2 39 LYS QD . . 4.440 4.051 2.570 4.647 0.207 14 0 "[ . 1 . 2 . 3 ]" 1 2082 2 39 LYS H 2 39 LYS QE . . 5.220 4.756 2.561 5.354 0.134 19 0 "[ . 1 . 2 . 3 ]" 1 2083 2 39 LYS H 2 39 LYS HG2 . . 4.520 3.496 2.564 4.560 0.040 3 0 "[ . 1 . 2 . 3 ]" 1 2084 2 39 LYS H 2 39 LYS QG . . 3.730 3.219 2.524 3.939 0.209 30 0 "[ . 1 . 2 . 3 ]" 1 2085 2 39 LYS H 2 39 LYS HG3 . . 4.520 4.019 2.761 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 2086 2 39 LYS H 2 40 LYS H . . 4.190 2.590 2.182 2.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 2087 2 39 LYS H 2 41 GLU H . . 5.220 4.269 3.776 4.754 . 0 0 "[ . 1 . 2 . 3 ]" 1 2088 2 39 LYS H 2 56 MET ME . . 4.800 3.950 2.606 4.839 0.039 28 0 "[ . 1 . 2 . 3 ]" 1 2089 2 39 LYS HA 2 39 LYS QD . . 3.560 2.462 1.959 3.777 0.217 31 0 "[ . 1 . 2 . 3 ]" 1 2090 2 39 LYS HA 2 39 LYS QE . . 4.020 3.290 1.891 4.083 0.063 28 0 "[ . 1 . 2 . 3 ]" 1 2091 2 39 LYS HA 2 39 LYS HG2 . . 3.840 2.834 2.124 3.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 2092 2 39 LYS HA 2 39 LYS QG . . 3.300 2.505 1.936 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1 2093 2 39 LYS HA 2 39 LYS HG3 . . 3.840 3.273 2.118 3.780 . 0 0 "[ . 1 . 2 . 3 ]" 1 2094 2 39 LYS HA 2 41 GLU H . . 5.220 4.661 3.899 5.321 0.101 27 0 "[ . 1 . 2 . 3 ]" 1 2095 2 39 LYS HA 2 42 LEU H . . 5.220 3.858 3.107 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 2096 2 39 LYS QB 2 39 LYS QD . . 2.990 2.506 2.198 3.012 0.022 7 0 "[ . 1 . 2 . 3 ]" 1 2097 2 39 LYS QB 2 40 LYS H . . 3.900 3.310 2.788 3.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 2098 2 39 LYS HB2 2 40 LYS H . . 4.510 3.632 2.992 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 2099 2 39 LYS HB3 2 40 LYS H . . 4.510 3.891 3.283 4.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 2100 2 39 LYS QD 2 39 LYS QE . . 2.300 2.081 1.969 2.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 2101 2 39 LYS QE 2 39 LYS QG . . 3.170 2.307 2.029 2.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 2102 2 40 LYS H 2 40 LYS QB . . 3.490 2.278 2.125 2.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 2103 2 40 LYS H 2 40 LYS QD . . 4.300 3.403 2.575 4.360 0.060 22 0 "[ . 1 . 2 . 3 ]" 1 2104 2 40 LYS H 2 40 LYS HG2 . . 4.340 3.611 2.210 4.390 0.050 28 0 "[ . 1 . 2 . 3 ]" 1 2105 2 40 LYS H 2 40 LYS QG . . 3.790 3.211 2.194 3.927 0.137 12 0 "[ . 1 . 2 . 3 ]" 1 2106 2 40 LYS H 2 40 LYS HG3 . . 4.340 3.944 2.567 4.477 0.137 12 0 "[ . 1 . 2 . 3 ]" 1 2107 2 40 LYS H 2 41 GLU H . . 4.140 2.323 1.990 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 2108 2 40 LYS H 2 41 GLU QG . . 5.080 4.104 3.164 4.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 2109 2 40 LYS H 2 42 LEU H . . 4.930 3.694 2.895 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 2110 2 40 LYS HA 2 40 LYS QD . . 3.700 2.613 1.973 3.915 0.215 23 0 "[ . 1 . 2 . 3 ]" 1 2111 2 40 LYS HA 2 40 LYS QE . . 4.560 3.958 2.184 4.650 0.090 23 0 "[ . 1 . 2 . 3 ]" 1 2112 2 40 LYS HA 2 40 LYS HG2 . . 3.800 3.245 2.287 3.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 2113 2 40 LYS HA 2 40 LYS QG . . 3.110 2.631 2.226 3.176 0.066 14 0 "[ . 1 . 2 . 3 ]" 1 2114 2 40 LYS HA 2 40 LYS HG3 . . 3.800 3.066 2.308 3.832 0.032 26 0 "[ . 1 . 2 . 3 ]" 1 2115 2 40 LYS HA 2 42 LEU H . . 5.220 4.576 3.717 5.225 0.005 18 0 "[ . 1 . 2 . 3 ]" 1 2116 2 40 LYS QB 2 40 LYS QE . . 3.540 3.530 3.156 3.720 0.180 8 0 "[ . 1 . 2 . 3 ]" 1 2117 2 40 LYS QB 2 41 GLU H . . 3.960 2.616 2.148 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 2118 2 40 LYS HB2 2 40 LYS QE . . 4.360 4.044 3.371 4.407 0.047 3 0 "[ . 1 . 2 . 3 ]" 1 2119 2 40 LYS HB2 2 41 GLU H . . 4.670 2.732 2.190 3.154 . 0 0 "[ . 1 . 2 . 3 ]" 1 2120 2 40 LYS HB3 2 40 LYS QE . . 4.360 3.959 3.341 4.231 . 0 0 "[ . 1 . 2 . 3 ]" 1 2121 2 40 LYS HB3 2 41 GLU H . . 4.670 3.428 2.972 3.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 2122 2 40 LYS QD 2 41 GLU H . . 4.620 4.647 4.307 4.830 0.210 6 0 "[ . 1 . 2 . 3 ]" 1 2123 2 40 LYS QE 2 40 LYS HG2 . . 3.520 2.489 2.116 3.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 2124 2 40 LYS QE 2 40 LYS QG . . 2.840 2.132 1.895 2.353 . 0 0 "[ . 1 . 2 . 3 ]" 1 2125 2 40 LYS QE 2 40 LYS HG3 . . 3.520 2.492 2.138 3.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 2126 2 40 LYS HG2 2 41 GLU H . . 5.220 4.852 3.960 5.360 0.140 25 0 "[ . 1 . 2 . 3 ]" 1 2127 2 40 LYS HG3 2 41 GLU H . . 5.220 4.964 4.366 5.272 0.052 31 0 "[ . 1 . 2 . 3 ]" 1 2128 2 41 GLU H 2 41 GLU HG2 . . 5.050 3.137 2.148 4.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 2129 2 41 GLU H 2 41 GLU QG . . 4.370 2.448 2.055 3.541 . 0 0 "[ . 1 . 2 . 3 ]" 1 2130 2 41 GLU H 2 41 GLU HG3 . . 5.050 2.974 2.131 4.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 2131 2 41 GLU H 2 42 LEU H . . 4.060 2.569 2.073 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 2132 2 41 GLU QB 2 42 LEU H . . 5.220 3.071 2.173 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 2133 2 41 GLU QG 2 42 LEU H . . 5.080 3.774 2.053 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1 2134 2 42 LEU H 2 42 LEU MD1 . . 4.720 4.343 3.874 4.756 0.036 10 0 "[ . 1 . 2 . 3 ]" 1 2135 2 42 LEU H 2 42 LEU MD2 . . 4.720 4.319 3.133 4.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 2136 2 42 LEU H 2 42 LEU HG . . 4.460 4.292 3.327 4.646 0.186 8 0 "[ . 1 . 2 . 3 ]" 1 2137 2 42 LEU H 2 43 CYS H . . 4.340 4.287 3.406 4.593 0.253 21 0 "[ . 1 . 2 . 3 ]" 1 2138 2 42 LEU HA 2 42 LEU QD . . 4.100 2.225 1.895 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1 2139 2 42 LEU QB 2 43 CYS H . . 4.060 3.363 2.344 4.088 0.028 10 0 "[ . 1 . 2 . 3 ]" 1 2140 2 42 LEU QB 2 43 CYS HA . . 4.880 4.424 3.626 4.935 0.055 27 0 "[ . 1 . 2 . 3 ]" 1 2141 2 42 LEU QB 2 44 LEU QD . . 5.030 3.197 1.974 5.068 0.038 11 0 "[ . 1 . 2 . 3 ]" 1 2142 2 42 LEU HB2 2 43 CYS H . . 4.810 4.341 3.747 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 2143 2 42 LEU HB3 2 43 CYS H . . 4.810 3.544 2.365 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1 2144 2 42 LEU QD 2 43 CYS H . . 4.550 2.586 1.637 3.654 . 0 0 "[ . 1 . 2 . 3 ]" 1 2145 2 42 LEU QD 2 43 CYS QB . . 4.600 4.078 3.282 4.667 0.067 11 0 "[ . 1 . 2 . 3 ]" 1 2146 2 42 LEU HG 2 43 CYS H . . 4.290 3.800 2.057 4.538 0.248 29 0 "[ . 1 . 2 . 3 ]" 1 2147 2 43 CYS H 2 44 LEU H . . 4.600 3.565 1.990 4.549 . 0 0 "[ . 1 . 2 . 3 ]" 1 2148 2 43 CYS HA 2 44 LEU HA . . 5.040 4.719 4.329 5.303 0.263 21 0 "[ . 1 . 2 . 3 ]" 1 2149 2 43 CYS HA 2 45 GLY H . . 5.070 4.288 3.014 5.279 0.209 1 0 "[ . 1 . 2 . 3 ]" 1 2150 2 43 CYS QB 2 44 LEU H . . 4.110 3.335 1.921 4.114 0.004 2 0 "[ . 1 . 2 . 3 ]" 1 2151 2 43 CYS QB 2 45 GLY H . . 5.080 4.579 3.224 5.326 0.246 9 0 "[ . 1 . 2 . 3 ]" 1 2152 2 43 CYS HB2 2 44 LEU H . . 4.680 4.067 2.623 4.720 0.040 6 0 "[ . 1 . 2 . 3 ]" 1 2153 2 43 CYS HB3 2 44 LEU H . . 4.680 3.720 1.930 4.717 0.037 2 0 "[ . 1 . 2 . 3 ]" 1 2154 2 44 LEU H 2 44 LEU MD1 . . 5.030 3.330 1.833 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 2155 2 44 LEU H 2 44 LEU MD2 . . 5.030 3.789 2.002 5.010 . 0 0 "[ . 1 . 2 . 3 ]" 1 2156 2 44 LEU H 2 44 LEU HG . . 4.190 3.397 2.063 4.317 0.127 21 0 "[ . 1 . 2 . 3 ]" 1 2157 2 44 LEU H 2 47 MET ME . . 4.710 4.506 3.029 4.869 0.159 17 0 "[ . 1 . 2 . 3 ]" 1 2158 2 44 LEU HA 2 44 LEU QD . . 4.090 2.722 1.924 3.465 . 0 0 "[ . 1 . 2 . 3 ]" 1 2159 2 44 LEU QB 2 45 GLY H . . 4.000 3.434 1.847 4.167 0.167 4 0 "[ . 1 . 2 . 3 ]" 1 2160 2 44 LEU QB 2 47 MET ME . . 4.480 3.067 1.746 4.528 0.048 3 0 "[ . 1 . 2 . 3 ]" 1 2161 2 44 LEU HB2 2 45 GLY H . . 4.560 3.979 2.003 4.806 0.246 4 0 "[ . 1 . 2 . 3 ]" 1 2162 2 44 LEU HB3 2 45 GLY H . . 4.560 3.909 1.855 4.644 0.084 26 0 "[ . 1 . 2 . 3 ]" 1 2163 2 44 LEU QD 2 45 GLY H . . 4.470 3.883 2.097 4.561 0.091 11 0 "[ . 1 . 2 . 3 ]" 1 2164 2 44 LEU QD 2 47 MET ME . . 5.170 2.369 1.662 3.750 . 0 0 "[ . 1 . 2 . 3 ]" 1 2165 2 44 LEU QD 2 47 MET QG . . 5.970 4.038 2.255 5.369 . 0 0 "[ . 1 . 2 . 3 ]" 1 2166 2 44 LEU QD 2 83 TYR QD . . 5.260 3.608 2.506 4.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 2167 2 44 LEU QD 2 83 TYR QE . . 4.910 2.553 1.935 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 2168 2 44 LEU MD1 2 45 GLY H . . 5.220 4.659 2.674 5.512 0.292 4 0 "[ . 1 . 2 . 3 ]" 1 2169 2 44 LEU MD1 2 83 TYR QD . . 5.970 4.691 2.511 5.985 0.015 25 0 "[ . 1 . 2 . 3 ]" 1 2170 2 44 LEU MD1 2 83 TYR QE . . 5.960 3.398 1.937 4.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 2171 2 44 LEU MD2 2 45 GLY H . . 5.220 4.461 2.101 5.378 0.158 24 0 "[ . 1 . 2 . 3 ]" 1 2172 2 44 LEU MD2 2 83 TYR QD . . 5.970 4.200 3.005 6.038 0.068 5 0 "[ . 1 . 2 . 3 ]" 1 2173 2 44 LEU MD2 2 83 TYR QE . . 5.960 3.132 2.059 5.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 2174 2 44 LEU HG 2 45 GLY H . . 4.810 4.514 3.353 4.963 0.153 24 0 "[ . 1 . 2 . 3 ]" 1 2175 2 44 LEU HG 2 47 MET ME . . 3.710 3.239 1.853 3.945 0.235 17 0 "[ . 1 . 2 . 3 ]" 1 2176 2 45 GLY H 2 46 GLU QB . . 5.080 4.609 3.466 5.405 0.325 23 0 "[ . 1 . 2 . 3 ]" 1 2177 2 45 GLY H 2 46 GLU QG . . 5.080 4.217 2.757 5.173 0.093 12 0 "[ . 1 . 2 . 3 ]" 1 2178 2 46 GLU H 2 46 GLU HG2 . . 4.170 3.061 1.780 4.312 0.142 30 0 "[ . 1 . 2 . 3 ]" 1 2179 2 46 GLU H 2 46 GLU HG3 . . 4.170 3.720 2.595 4.446 0.276 14 0 "[ . 1 . 2 . 3 ]" 1 2180 2 46 GLU H 2 47 MET H . . 4.330 2.526 1.647 4.524 0.194 17 0 "[ . 1 . 2 . 3 ]" 1 2181 2 46 GLU HA 2 46 GLU QG . . 3.500 3.485 3.341 3.592 0.092 2 0 "[ . 1 . 2 . 3 ]" 1 2182 2 46 GLU QG 2 47 MET H . . 4.240 3.109 1.800 4.340 0.100 17 0 "[ . 1 . 2 . 3 ]" 1 2183 2 47 MET H 2 47 MET QB . . 3.670 2.625 2.102 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 2184 2 47 MET H 2 47 MET HG2 . . 4.660 3.704 1.886 4.703 0.043 9 0 "[ . 1 . 2 . 3 ]" 1 2185 2 47 MET H 2 47 MET QG . . 4.040 2.876 1.877 4.133 0.093 4 0 "[ . 1 . 2 . 3 ]" 1 2186 2 47 MET H 2 47 MET HG3 . . 4.660 3.178 2.068 4.732 0.072 4 0 "[ . 1 . 2 . 3 ]" 1 2187 2 47 MET H 2 48 LYS H . . 4.300 3.004 1.842 4.487 0.187 19 0 "[ . 1 . 2 . 3 ]" 1 2188 2 47 MET HA 2 47 MET ME . . 4.270 4.093 1.881 4.437 0.167 14 0 "[ . 1 . 2 . 3 ]" 1 2189 2 47 MET QB 2 48 LYS H . . 3.880 2.650 1.789 4.009 0.129 27 0 "[ . 1 . 2 . 3 ]" 1 2190 2 47 MET ME 2 83 TYR QD . . 4.520 4.335 3.296 4.611 0.091 7 0 "[ . 1 . 2 . 3 ]" 1 2191 2 47 MET ME 2 83 TYR QE . . 4.780 3.746 2.372 4.866 0.086 28 0 "[ . 1 . 2 . 3 ]" 1 2192 2 47 MET HG2 2 48 LYS H . . 5.220 4.461 2.121 5.300 0.080 28 0 "[ . 1 . 2 . 3 ]" 1 2193 2 47 MET HG3 2 48 LYS H . . 5.220 4.224 2.564 5.220 0.000 23 0 "[ . 1 . 2 . 3 ]" 1 2194 2 48 LYS H 2 48 LYS HB2 . . 3.690 2.364 1.898 3.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 2195 2 48 LYS H 2 48 LYS HB3 . . 3.690 3.508 2.632 3.923 0.233 5 0 "[ . 1 . 2 . 3 ]" 1 2196 2 48 LYS H 2 48 LYS QD . . 4.200 3.695 2.036 4.400 0.200 21 0 "[ . 1 . 2 . 3 ]" 1 2197 2 48 LYS H 2 48 LYS HG2 . . 4.240 3.794 2.083 4.852 0.612 21 1 "[ . 1 . 2+ . 3 ]" 1 2198 2 48 LYS H 2 48 LYS HG3 . . 4.240 3.976 2.288 4.660 0.420 21 0 "[ . 1 . 2 . 3 ]" 1 2199 2 48 LYS H 2 49 GLU H . . 4.570 4.080 2.140 4.728 0.158 6 0 "[ . 1 . 2 . 3 ]" 1 2200 2 48 LYS HA 2 48 LYS QD . . 3.690 2.755 1.945 3.921 0.231 28 0 "[ . 1 . 2 . 3 ]" 1 2201 2 48 LYS HA 2 48 LYS QE . . 4.700 3.330 1.716 4.748 0.048 27 0 "[ . 1 . 2 . 3 ]" 1 2202 2 48 LYS HA 2 48 LYS QG . . 3.640 2.533 2.047 3.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 2203 2 48 LYS QB 2 48 LYS QE . . 3.040 2.410 1.856 3.196 0.156 15 0 "[ . 1 . 2 . 3 ]" 1 2204 2 48 LYS QB 2 49 GLU H . . 3.980 3.260 2.161 4.013 0.033 30 0 "[ . 1 . 2 . 3 ]" 1 2205 2 48 LYS QB 2 83 TYR QE . . 4.490 4.168 3.432 4.583 0.093 15 0 "[ . 1 . 2 . 3 ]" 1 2206 2 48 LYS HB2 2 48 LYS QE . . 3.630 2.915 2.051 3.688 0.058 15 0 "[ . 1 . 2 . 3 ]" 1 2207 2 48 LYS HB2 2 49 GLU H . . 4.610 4.179 3.247 4.648 0.038 20 0 "[ . 1 . 2 . 3 ]" 1 2208 2 48 LYS HB2 2 83 TYR QD . . 5.300 3.723 2.221 5.342 0.042 28 0 "[ . 1 . 2 . 3 ]" 1 2209 2 48 LYS HB2 2 83 TYR QE . . 5.150 4.459 3.486 5.281 0.131 12 0 "[ . 1 . 2 . 3 ]" 1 2210 2 48 LYS HB3 2 48 LYS QE . . 3.630 3.075 1.865 3.786 0.156 6 0 "[ . 1 . 2 . 3 ]" 1 2211 2 48 LYS HB3 2 49 GLU H . . 4.610 3.461 2.178 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1 2212 2 48 LYS HB3 2 83 TYR QD . . 5.300 3.954 3.280 5.397 0.097 28 0 "[ . 1 . 2 . 3 ]" 1 2213 2 48 LYS HB3 2 83 TYR QE . . 5.150 5.134 4.667 5.336 0.186 15 0 "[ . 1 . 2 . 3 ]" 1 2214 2 48 LYS QD 2 83 TYR QD . . 5.430 3.694 2.151 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 2215 2 48 LYS QD 2 83 TYR QE . . 5.720 4.911 2.508 5.802 0.082 6 0 "[ . 1 . 2 . 3 ]" 1 2216 2 48 LYS QE 2 48 LYS QG . . 3.390 2.330 2.013 2.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 2217 2 48 LYS QE 2 83 TYR QD . . 5.530 3.248 2.063 5.563 0.033 28 0 "[ . 1 . 2 . 3 ]" 1 2218 2 48 LYS QE 2 83 TYR QE . . 5.830 4.336 2.142 5.859 0.029 16 0 "[ . 1 . 2 . 3 ]" 1 2219 2 48 LYS QG 2 49 GLU H . . 4.520 4.095 2.785 5.008 0.488 18 0 "[ . 1 . 2 . 3 ]" 1 2220 2 48 LYS HG2 2 49 GLU H . . 5.220 4.904 3.822 5.470 0.250 22 0 "[ . 1 . 2 . 3 ]" 1 2221 2 48 LYS HG3 2 49 GLU H . . 5.220 4.559 2.818 5.907 0.687 18 1 "[ . 1 . + 2 . 3 ]" 1 2222 2 49 GLU H 2 49 GLU QB . . 3.620 2.633 1.997 3.384 . 0 0 "[ . 1 . 2 . 3 ]" 1 2223 2 49 GLU H 2 49 GLU HG2 . . 4.560 3.837 2.279 4.592 0.032 13 0 "[ . 1 . 2 . 3 ]" 1 2224 2 49 GLU H 2 49 GLU HG3 . . 4.560 3.504 1.795 4.837 0.277 15 0 "[ . 1 . 2 . 3 ]" 1 2225 2 49 GLU HA 2 49 GLU QG . . 3.450 2.692 2.106 3.507 0.057 7 0 "[ . 1 . 2 . 3 ]" 1 2226 2 49 GLU HB2 2 50 SER H . . 4.270 3.228 1.786 4.400 0.130 22 0 "[ . 1 . 2 . 3 ]" 1 2227 2 49 GLU HB3 2 50 SER H . . 4.270 3.100 1.950 4.226 . 0 0 "[ . 1 . 2 . 3 ]" 1 2228 2 49 GLU QG 2 50 SER H . . 4.540 3.469 1.820 4.105 . 0 0 "[ . 1 . 2 . 3 ]" 1 2229 2 49 GLU HG2 2 50 SER H . . 5.220 3.909 2.103 5.371 0.151 22 0 "[ . 1 . 2 . 3 ]" 1 2230 2 49 GLU HG3 2 50 SER H . . 5.220 4.116 1.828 5.157 . 0 0 "[ . 1 . 2 . 3 ]" 1 2231 2 50 SER H 2 50 SER HB2 . . 3.870 3.135 2.256 4.026 0.156 13 0 "[ . 1 . 2 . 3 ]" 1 2232 2 50 SER H 2 50 SER HB3 . . 3.870 3.419 2.440 4.123 0.253 23 0 "[ . 1 . 2 . 3 ]" 1 2233 2 50 SER H 2 50 SER HG . . 5.220 4.192 3.009 5.179 . 0 0 "[ . 1 . 2 . 3 ]" 1 2234 2 50 SER H 2 51 SER H . . 4.610 3.819 1.847 4.665 0.055 15 0 "[ . 1 . 2 . 3 ]" 1 2235 2 50 SER H 2 52 ILE H . . 5.220 4.177 2.528 5.380 0.160 19 0 "[ . 1 . 2 . 3 ]" 1 2236 2 50 SER HA 2 53 ASP H . . 4.140 3.586 2.224 4.302 0.162 30 0 "[ . 1 . 2 . 3 ]" 1 2237 2 50 SER HA 2 53 ASP HB2 . . 4.460 3.949 2.437 4.586 0.126 30 0 "[ . 1 . 2 . 3 ]" 1 2238 2 50 SER HA 2 53 ASP QB . . 3.910 3.433 2.065 3.986 0.076 31 0 "[ . 1 . 2 . 3 ]" 1 2239 2 50 SER HA 2 53 ASP HB3 . . 4.460 3.882 2.230 4.687 0.227 11 0 "[ . 1 . 2 . 3 ]" 1 2240 2 50 SER QB 2 51 SER H . . 4.150 2.951 1.946 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 2241 2 50 SER HB2 2 51 SER H . . 4.950 3.612 2.222 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 2242 2 50 SER HB3 2 51 SER H . . 4.950 3.377 1.955 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 2243 2 51 SER H 2 52 ILE H . . 4.700 3.001 1.713 3.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 2244 2 51 SER HA 2 53 ASP H . . 5.220 4.051 3.413 4.678 . 0 0 "[ . 1 . 2 . 3 ]" 1 2245 2 51 SER HA 2 54 ASP H . . 5.010 3.658 2.962 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 2246 2 51 SER HA 2 54 ASP HB2 . . 4.280 4.111 2.968 4.408 0.128 18 0 "[ . 1 . 2 . 3 ]" 1 2247 2 51 SER HA 2 54 ASP QB . . 3.710 3.565 2.696 3.897 0.187 25 0 "[ . 1 . 2 . 3 ]" 1 2248 2 51 SER HA 2 54 ASP HB3 . . 4.280 3.981 3.039 4.419 0.139 29 0 "[ . 1 . 2 . 3 ]" 1 2249 2 51 SER QB 2 52 ILE H . . 4.650 3.120 2.333 3.953 . 0 0 "[ . 1 . 2 . 3 ]" 1 2250 2 52 ILE H 2 52 ILE MD . . 5.160 3.768 2.663 4.559 . 0 0 "[ . 1 . 2 . 3 ]" 1 2251 2 52 ILE H 2 52 ILE HG12 . . 4.680 3.685 2.636 4.566 . 0 0 "[ . 1 . 2 . 3 ]" 1 2252 2 52 ILE H 2 52 ILE HG13 . . 4.680 2.727 2.055 4.737 0.057 27 0 "[ . 1 . 2 . 3 ]" 1 2253 2 52 ILE H 2 53 ASP H . . 4.350 2.482 1.872 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1 2254 2 52 ILE H 2 54 ASP H . . 5.220 4.308 3.509 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 2255 2 52 ILE HA 2 55 LEU QD . . 4.980 2.740 2.067 3.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 2256 2 52 ILE HB 2 53 ASP H . . 4.800 4.166 3.923 4.429 . 0 0 "[ . 1 . 2 . 3 ]" 1 2257 2 52 ILE MD 2 53 ASP H . . 5.110 3.092 2.136 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 1 2258 2 52 ILE MD 2 53 ASP HA . . 5.220 2.951 2.351 5.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 2259 2 52 ILE MD 2 56 MET H . . 5.220 4.394 3.697 5.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 2260 2 52 ILE MD 2 56 MET HB2 . . 5.220 4.145 3.286 5.269 0.049 2 0 "[ . 1 . 2 . 3 ]" 1 2261 2 52 ILE MD 2 56 MET HB3 . . 5.220 4.960 3.739 5.295 0.075 24 0 "[ . 1 . 2 . 3 ]" 1 2262 2 52 ILE QG 2 53 ASP H . . 5.080 2.896 2.219 4.336 . 0 0 "[ . 1 . 2 . 3 ]" 1 2263 2 52 ILE MG 2 53 ASP H . . 5.020 3.885 2.464 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 2264 2 52 ILE MG 2 79 LEU HA . . 5.220 3.960 2.548 5.258 0.038 22 0 "[ . 1 . 2 . 3 ]" 1 2265 2 52 ILE MG 2 83 TYR QD . . 5.220 3.857 2.134 5.254 0.034 18 0 "[ . 1 . 2 . 3 ]" 1 2266 2 52 ILE MG 2 83 TYR QE . . 5.870 4.194 2.406 5.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 2267 2 53 ASP H 2 53 ASP HB2 . . 3.890 2.536 2.153 3.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 2268 2 53 ASP H 2 53 ASP HB3 . . 3.890 2.692 2.197 3.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 2269 2 53 ASP H 2 54 ASP H . . 3.960 2.718 2.246 3.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 2270 2 53 ASP HA 2 55 LEU H . . 5.220 4.238 3.662 4.785 . 0 0 "[ . 1 . 2 . 3 ]" 1 2271 2 53 ASP HA 2 56 MET H . . 4.270 3.099 2.423 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 2272 2 53 ASP HA 2 56 MET HB2 . . 5.220 2.459 1.925 5.261 0.041 18 0 "[ . 1 . 2 . 3 ]" 1 2273 2 53 ASP HA 2 56 MET HB3 . . 5.220 4.010 3.494 5.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 2274 2 53 ASP HA 2 56 MET QG . . 4.190 2.957 1.988 4.217 0.027 14 0 "[ . 1 . 2 . 3 ]" 1 2275 2 53 ASP QB 2 54 ASP H . . 3.520 2.976 2.402 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 2276 2 53 ASP HB2 2 54 ASP H . . 4.260 4.103 3.814 4.343 0.083 1 0 "[ . 1 . 2 . 3 ]" 1 2277 2 53 ASP HB3 2 54 ASP H . . 4.260 3.079 2.426 3.979 . 0 0 "[ . 1 . 2 . 3 ]" 1 2278 2 54 ASP H 2 54 ASP HB2 . . 3.590 2.527 2.239 2.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 2279 2 54 ASP H 2 54 ASP HB3 . . 3.590 2.640 2.333 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 2280 2 54 ASP H 2 55 LEU H . . 3.810 2.777 2.587 3.236 . 0 0 "[ . 1 . 2 . 3 ]" 1 2281 2 54 ASP HA 2 57 LYS H . . 4.390 3.344 2.647 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 2282 2 54 ASP HA 2 58 SER H . . 4.660 4.087 3.503 4.688 0.028 24 0 "[ . 1 . 2 . 3 ]" 1 2283 2 54 ASP QB 2 55 LEU QD . . 5.620 3.477 2.430 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1 2284 2 54 ASP HB2 2 55 LEU H . . 4.080 3.923 3.638 4.181 0.101 15 0 "[ . 1 . 2 . 3 ]" 1 2285 2 54 ASP HB3 2 55 LEU H . . 4.080 2.682 2.193 3.168 . 0 0 "[ . 1 . 2 . 3 ]" 1 2286 2 55 LEU H 2 55 LEU QB . . 3.530 2.506 2.378 2.675 . 0 0 "[ . 1 . 2 . 3 ]" 1 2287 2 55 LEU H 2 55 LEU MD1 . . 5.220 3.584 3.357 3.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 2288 2 55 LEU H 2 55 LEU QD . . 3.810 2.916 2.632 3.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 2289 2 55 LEU H 2 55 LEU MD2 . . 5.220 3.109 2.699 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 2290 2 55 LEU H 2 55 LEU HG . . 3.790 2.100 1.905 2.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 2291 2 55 LEU H 2 56 MET H . . 4.030 2.774 2.624 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1 2292 2 55 LEU H 2 56 MET QG . . 5.080 4.540 4.218 4.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 2293 2 55 LEU H 2 75 PHE HZ . . 5.220 4.984 4.509 5.275 0.055 17 0 "[ . 1 . 2 . 3 ]" 1 2294 2 55 LEU HA 2 55 LEU QD . . 4.090 2.128 1.991 2.315 . 0 0 "[ . 1 . 2 . 3 ]" 1 2295 2 55 LEU HA 2 75 PHE QE . . 4.750 3.605 3.005 4.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 2296 2 55 LEU HA 2 75 PHE HZ . . 5.120 4.465 4.103 4.727 . 0 0 "[ . 1 . 2 . 3 ]" 1 2297 2 55 LEU HA 2 78 MET ME . . 5.220 4.699 3.928 5.274 0.054 21 0 "[ . 1 . 2 . 3 ]" 1 2298 2 55 LEU QB 2 56 MET H . . 3.540 2.505 2.111 2.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 2299 2 55 LEU QB 2 75 PHE QD . . 4.510 3.609 3.305 3.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 2300 2 55 LEU QB 2 75 PHE QE . . 4.260 2.507 2.153 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 2301 2 55 LEU QB 2 75 PHE HZ . . 4.690 2.585 2.242 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 2302 2 55 LEU HB2 2 56 MET H . . 4.230 2.549 2.132 2.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 2303 2 55 LEU HB2 2 75 PHE QD . . 5.220 4.844 4.535 5.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 2304 2 55 LEU HB3 2 56 MET H . . 4.230 3.696 3.377 3.923 . 0 0 "[ . 1 . 2 . 3 ]" 1 2305 2 55 LEU HB3 2 75 PHE QD . . 5.220 3.727 3.383 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 2306 2 55 LEU QD 2 56 MET H . . 4.630 4.047 3.830 4.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 2307 2 55 LEU QD 2 58 SER H . . 4.850 4.751 4.498 4.877 0.027 14 0 "[ . 1 . 2 . 3 ]" 1 2308 2 55 LEU QD 2 75 PHE QD . . 4.590 3.665 3.299 3.879 . 0 0 "[ . 1 . 2 . 3 ]" 1 2309 2 55 LEU QD 2 75 PHE QE . . 4.440 3.394 2.966 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 2310 2 55 LEU QD 2 75 PHE HZ . . 5.510 3.884 3.586 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1 2311 2 55 LEU QD 2 78 MET QB . . 4.310 3.021 2.313 3.494 . 0 0 "[ . 1 . 2 . 3 ]" 1 2312 2 55 LEU QD 2 78 MET ME . . 3.870 2.109 1.790 3.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 2313 2 55 LEU QD 2 78 MET QG . . 4.960 2.179 1.793 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 2314 2 55 LEU MD1 2 75 PHE QD . . 5.220 3.964 3.382 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1 2315 2 55 LEU MD1 2 75 PHE QE . . 5.070 3.680 3.020 4.126 . 0 0 "[ . 1 . 2 . 3 ]" 1 2316 2 55 LEU MD1 2 78 MET HB2 . . 5.780 4.269 3.091 4.672 . 0 0 "[ . 1 . 2 . 3 ]" 1 2317 2 55 LEU MD1 2 78 MET HB3 . . 5.780 3.218 2.393 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1 2318 2 55 LEU MD2 2 75 PHE QD . . 5.220 4.387 3.752 5.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 2319 2 55 LEU MD2 2 75 PHE QE . . 5.070 4.064 3.373 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1 2320 2 55 LEU MD2 2 78 MET HB2 . . 5.780 4.924 4.116 5.786 0.006 6 0 "[ . 1 . 2 . 3 ]" 1 2321 2 55 LEU MD2 2 78 MET HB3 . . 5.780 4.391 3.210 5.417 . 0 0 "[ . 1 . 2 . 3 ]" 1 2322 2 55 LEU HG 2 56 MET H . . 4.300 4.210 3.896 4.422 0.122 22 0 "[ . 1 . 2 . 3 ]" 1 2323 2 55 LEU HG 2 75 PHE QD . . 6.210 6.179 5.893 6.291 0.081 7 0 "[ . 1 . 2 . 3 ]" 1 2324 2 55 LEU HG 2 75 PHE QE . . 5.930 5.133 4.897 5.354 . 0 0 "[ . 1 . 2 . 3 ]" 1 2325 2 55 LEU HG 2 75 PHE HZ . . 6.270 5.262 4.788 5.673 . 0 0 "[ . 1 . 2 . 3 ]" 1 2326 2 56 MET H 2 56 MET ME . . 4.800 4.568 3.478 4.847 0.047 19 0 "[ . 1 . 2 . 3 ]" 1 2327 2 56 MET H 2 56 MET HG2 . . 3.850 2.482 2.055 3.460 . 0 0 "[ . 1 . 2 . 3 ]" 1 2328 2 56 MET H 2 56 MET QG . . 3.370 2.302 2.039 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 2329 2 56 MET H 2 56 MET HG3 . . 3.850 3.330 2.301 3.889 0.039 29 0 "[ . 1 . 2 . 3 ]" 1 2330 2 56 MET H 2 57 LYS H . . 4.200 2.832 2.632 3.168 . 0 0 "[ . 1 . 2 . 3 ]" 1 2331 2 56 MET H 2 58 SER H . . 5.220 4.060 3.879 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1 2332 2 56 MET H 2 75 PHE QE . . 5.560 4.126 3.740 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 2333 2 56 MET H 2 75 PHE HZ . . 5.220 3.157 2.800 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 2334 2 56 MET HA 2 56 MET ME . . 4.210 3.648 2.084 4.261 0.051 10 0 "[ . 1 . 2 . 3 ]" 1 2335 2 56 MET HA 2 58 SER H . . 5.100 4.203 3.916 4.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 2336 2 56 MET HA 2 59 LEU H . . 4.930 3.301 2.933 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 2337 2 56 MET HA 2 59 LEU QD . . 5.170 2.772 2.311 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1 2338 2 56 MET HA 2 75 PHE QE . . 4.770 3.533 2.825 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 2339 2 56 MET HA 2 75 PHE HZ . . 4.480 2.756 2.242 3.250 . 0 0 "[ . 1 . 2 . 3 ]" 1 2340 2 56 MET HB2 2 56 MET ME . . 4.000 3.813 2.244 4.175 0.175 29 0 "[ . 1 . 2 . 3 ]" 1 2341 2 56 MET HB2 2 57 LYS H . . 5.220 2.841 2.460 4.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 2342 2 56 MET HB3 2 56 MET ME . . 4.000 3.099 2.008 4.061 0.061 16 0 "[ . 1 . 2 . 3 ]" 1 2343 2 56 MET HB3 2 57 LYS H . . 5.220 3.665 2.984 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 2344 2 56 MET ME 2 59 LEU QD . . 4.510 3.548 1.797 4.576 0.066 29 0 "[ . 1 . 2 . 3 ]" 1 2345 2 56 MET ME 2 75 PHE QE . . 6.000 3.652 2.268 5.195 . 0 0 "[ . 1 . 2 . 3 ]" 1 2346 2 56 MET QG 2 57 LYS H . . 4.640 4.160 2.222 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 2347 2 57 LYS H 2 57 LYS HB2 . . 3.690 2.422 2.082 3.688 . 0 0 "[ . 1 . 2 . 3 ]" 1 2348 2 57 LYS H 2 57 LYS HB3 . . 3.690 2.953 2.113 3.692 0.002 22 0 "[ . 1 . 2 . 3 ]" 1 2349 2 57 LYS H 2 57 LYS QD . . 5.500 3.679 2.158 4.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 2350 2 57 LYS H 2 57 LYS QG . . 4.680 3.687 2.086 4.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 2351 2 57 LYS H 2 58 SER H . . 3.950 2.628 2.407 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 2352 2 57 LYS H 2 59 LEU H . . 5.220 4.159 3.685 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 2353 2 57 LYS HA 2 57 LYS QD . . 3.560 2.580 1.810 3.728 0.168 30 0 "[ . 1 . 2 . 3 ]" 1 2354 2 57 LYS HA 2 57 LYS QE . . 4.440 3.680 1.896 4.602 0.162 28 0 "[ . 1 . 2 . 3 ]" 1 2355 2 57 LYS HA 2 60 ASP H . . 4.050 3.162 2.152 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 2356 2 57 LYS HA 2 60 ASP HB2 . . 4.270 2.773 1.852 3.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 2357 2 57 LYS HA 2 60 ASP HB3 . . 4.270 2.787 1.978 3.762 . 0 0 "[ . 1 . 2 . 3 ]" 1 2358 2 57 LYS QB 2 57 LYS QE . . 3.930 3.307 1.930 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 2359 2 57 LYS QB 2 58 SER H . . 3.940 2.973 2.399 3.950 0.010 29 0 "[ . 1 . 2 . 3 ]" 1 2360 2 57 LYS QD 2 57 LYS QE . . 2.280 2.065 1.985 2.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 2361 2 57 LYS QD 2 57 LYS QG . . 2.280 2.061 1.964 2.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 2362 2 57 LYS QD 2 58 SER H . . 4.430 4.342 2.733 4.736 0.306 9 0 "[ . 1 . 2 . 3 ]" 1 2363 2 57 LYS QG 2 58 SER H . . 4.760 4.392 3.515 4.781 0.021 23 0 "[ . 1 . 2 . 3 ]" 1 2364 2 58 SER H 2 58 SER HB2 . . 3.890 2.431 2.131 3.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 2365 2 58 SER H 2 58 SER HB3 . . 3.890 3.093 2.317 3.641 . 0 0 "[ . 1 . 2 . 3 ]" 1 2366 2 58 SER H 2 59 LEU H . . 4.000 2.717 2.529 2.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 2367 2 58 SER H 2 59 LEU MD1 . . 6.270 5.572 5.052 6.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 2368 2 58 SER H 2 59 LEU QD . . 4.980 4.766 4.469 5.092 0.112 29 0 "[ . 1 . 2 . 3 ]" 1 2369 2 58 SER H 2 59 LEU MD2 . . 6.270 5.190 4.770 5.469 . 0 0 "[ . 1 . 2 . 3 ]" 1 2370 2 58 SER H 2 60 ASP H . . 5.070 4.179 3.779 4.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 2371 2 58 SER HA 2 59 LEU QD . . 5.170 5.000 4.656 5.219 0.049 2 0 "[ . 1 . 2 . 3 ]" 1 2372 2 58 SER HA 2 61 LYS HB2 . . 4.920 2.775 1.835 4.422 . 0 0 "[ . 1 . 2 . 3 ]" 1 2373 2 58 SER HA 2 61 LYS HB3 . . 4.920 3.964 2.674 4.971 0.051 5 0 "[ . 1 . 2 . 3 ]" 1 2374 2 59 LEU H 2 59 LEU MD1 . . 4.300 3.753 3.573 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 2375 2 59 LEU H 2 59 LEU MD2 . . 4.300 3.250 2.959 3.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 2376 2 59 LEU H 2 59 LEU HG . . 3.790 2.366 2.095 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1 2377 2 59 LEU H 2 60 ASP H . . 4.270 2.556 2.263 2.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 2378 2 59 LEU H 2 60 ASP HB2 . . 5.220 4.418 3.684 5.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 2379 2 59 LEU H 2 60 ASP HB3 . . 5.220 5.139 4.397 5.566 0.346 9 0 "[ . 1 . 2 . 3 ]" 1 2380 2 59 LEU H 2 75 PHE HZ . . 5.150 4.986 4.467 5.200 0.050 30 0 "[ . 1 . 2 . 3 ]" 1 2381 2 59 LEU HA 2 59 LEU QD . . 4.120 2.062 1.916 2.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 2382 2 59 LEU HA 2 59 LEU HG . . 3.650 3.242 3.093 3.388 . 0 0 "[ . 1 . 2 . 3 ]" 1 2383 2 59 LEU HA 2 61 LYS H . . 4.820 4.044 3.446 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 2384 2 59 LEU HB2 2 60 ASP H . . 5.170 2.484 2.233 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 2385 2 59 LEU HB3 2 60 ASP H . . 5.170 3.570 3.305 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1 2386 2 59 LEU QD 2 75 PHE QD . . 4.840 2.662 2.143 3.008 . 0 0 "[ . 1 . 2 . 3 ]" 1 2387 2 59 LEU QD 2 75 PHE HZ . . 5.210 3.028 2.667 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1 2388 2 59 LEU MD1 2 60 ASP H . . 5.220 4.437 4.181 5.272 0.052 5 0 "[ . 1 . 2 . 3 ]" 1 2389 2 59 LEU MD1 2 75 PHE QD . . 5.740 3.464 2.165 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 2390 2 59 LEU MD1 2 75 PHE QE . . 5.220 2.797 2.239 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 2391 2 59 LEU MD1 2 75 PHE HZ . . 6.130 3.086 2.709 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 2392 2 59 LEU MD2 2 60 ASP H . . 5.220 4.579 4.403 4.780 . 0 0 "[ . 1 . 2 . 3 ]" 1 2393 2 59 LEU MD2 2 75 PHE QD . . 5.740 2.838 2.370 3.418 . 0 0 "[ . 1 . 2 . 3 ]" 1 2394 2 59 LEU MD2 2 75 PHE QE . . 5.220 2.812 2.182 4.017 . 0 0 "[ . 1 . 2 . 3 ]" 1 2395 2 59 LEU MD2 2 75 PHE HZ . . 6.130 4.451 3.830 6.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 2396 2 59 LEU HG 2 60 ASP H . . 5.170 4.218 3.834 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1 2397 2 59 LEU HG 2 75 PHE QD . . 5.090 4.025 2.819 4.625 . 0 0 "[ . 1 . 2 . 3 ]" 1 2398 2 59 LEU HG 2 75 PHE QE . . 4.820 2.337 2.065 2.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 2399 2 59 LEU HG 2 75 PHE HZ . . 5.290 3.577 2.929 4.824 . 0 0 "[ . 1 . 2 . 3 ]" 1 2400 2 60 ASP H 2 61 LYS H . . 4.230 2.829 2.162 3.155 . 0 0 "[ . 1 . 2 . 3 ]" 1 2401 2 60 ASP HA 2 63 SER QB . . 4.060 3.054 1.934 4.134 0.074 19 0 "[ . 1 . 2 . 3 ]" 1 2402 2 60 ASP QB 2 61 LYS H . . 3.990 3.149 2.482 3.742 . 0 0 "[ . 1 . 2 . 3 ]" 1 2403 2 60 ASP HB2 2 61 LYS H . . 4.680 3.861 2.730 4.477 . 0 0 "[ . 1 . 2 . 3 ]" 1 2404 2 60 ASP HB3 2 61 LYS H . . 4.680 3.468 2.511 4.194 . 0 0 "[ . 1 . 2 . 3 ]" 1 2405 2 61 LYS H 2 61 LYS QB . . 3.640 2.111 1.856 2.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 2406 2 61 LYS H 2 61 LYS QD . . 4.300 4.150 2.624 4.513 0.213 6 0 "[ . 1 . 2 . 3 ]" 1 2407 2 61 LYS H 2 61 LYS QG . . 4.420 3.444 2.062 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 2408 2 61 LYS H 2 62 ASN H . . 4.430 2.818 2.407 3.371 . 0 0 "[ . 1 . 2 . 3 ]" 1 2409 2 61 LYS HA 2 61 LYS QD . . 3.900 2.956 2.144 4.065 0.165 2 0 "[ . 1 . 2 . 3 ]" 1 2410 2 61 LYS HA 2 61 LYS QE . . 3.960 3.365 1.717 4.274 0.314 28 0 "[ . 1 . 2 . 3 ]" 1 2411 2 61 LYS QB 2 61 LYS QE . . 2.900 2.203 1.785 2.993 0.093 27 0 "[ . 1 . 2 . 3 ]" 1 2412 2 61 LYS QB 2 62 ASN H . . 4.140 2.759 2.237 3.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 2413 2 61 LYS HB2 2 62 ASN H . . 4.900 3.489 2.268 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 2414 2 61 LYS HB3 2 62 ASN H . . 4.900 3.103 2.363 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1 2415 2 61 LYS QD 2 61 LYS QE . . 2.280 2.043 1.961 2.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 2416 2 61 LYS QE 2 61 LYS HG2 . . 3.580 2.909 2.182 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 2417 2 61 LYS QE 2 61 LYS QG . . 2.960 2.641 2.154 2.997 0.037 16 0 "[ . 1 . 2 . 3 ]" 1 2418 2 61 LYS QE 2 61 LYS HG3 . . 3.580 3.307 2.231 3.611 0.031 16 0 "[ . 1 . 2 . 3 ]" 1 2419 2 61 LYS HG2 2 62 ASN H . . 5.220 4.771 3.384 5.327 0.107 18 0 "[ . 1 . 2 . 3 ]" 1 2420 2 61 LYS HG3 2 62 ASN H . . 5.220 4.810 4.026 5.399 0.179 5 0 "[ . 1 . 2 . 3 ]" 1 2421 2 62 ASN H 2 63 SER H . . 4.400 2.464 1.811 4.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 2422 2 62 ASN HA 2 62 ASN QD . . 4.400 3.012 2.125 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1 2423 2 62 ASN HA 2 62 ASN HD22 . . 5.220 4.048 3.468 5.393 0.173 19 0 "[ . 1 . 2 . 3 ]" 1 2424 2 62 ASN HA 2 64 ASP H . . 4.620 4.340 3.639 4.788 0.168 6 0 "[ . 1 . 2 . 3 ]" 1 2425 2 62 ASN QB 2 64 ASP H . . 4.930 3.891 2.971 5.076 0.146 2 0 "[ . 1 . 2 . 3 ]" 1 2426 2 62 ASN QB 2 65 GLN H . . 5.020 4.200 2.693 5.240 0.220 3 0 "[ . 1 . 2 . 3 ]" 1 2427 2 62 ASN QB 2 65 GLN QB . . 4.310 3.487 2.435 4.417 0.107 6 0 "[ . 1 . 2 . 3 ]" 1 2428 2 62 ASN QB 2 65 GLN QG . . 4.940 2.890 1.982 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 2429 2 62 ASN HB2 2 63 SER H . . 4.740 3.008 2.139 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 2430 2 62 ASN HB3 2 63 SER H . . 4.740 3.677 1.868 4.548 . 0 0 "[ . 1 . 2 . 3 ]" 1 2431 2 62 ASN QD 2 63 SER H . . 5.080 4.811 2.869 5.259 0.179 27 0 "[ . 1 . 2 . 3 ]" 1 2432 2 63 SER H 2 63 SER QB . . 3.820 3.064 2.385 3.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 2433 2 63 SER H 2 64 ASP H . . 4.270 3.243 1.784 4.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 2434 2 63 SER H 2 65 GLN H . . 4.610 4.350 2.682 4.864 0.254 4 0 "[ . 1 . 2 . 3 ]" 1 2435 2 63 SER HA 2 65 GLN H . . 5.220 4.398 3.588 5.132 . 0 0 "[ . 1 . 2 . 3 ]" 1 2436 2 63 SER QB 2 64 ASP H . . 4.270 3.263 1.797 4.021 . 0 0 "[ . 1 . 2 . 3 ]" 1 2437 2 63 SER QB 2 65 GLN H . . 5.500 4.827 3.577 5.549 0.049 21 0 "[ . 1 . 2 . 3 ]" 1 2438 2 64 ASP H 2 64 ASP HB2 . . 3.860 2.733 2.355 3.652 . 0 0 "[ . 1 . 2 . 3 ]" 1 2439 2 64 ASP H 2 64 ASP HB3 . . 3.860 3.420 2.192 3.946 0.086 31 0 "[ . 1 . 2 . 3 ]" 1 2440 2 64 ASP H 2 65 GLN H . . 3.630 2.399 1.693 3.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 2441 2 64 ASP H 2 65 GLN HB2 . . 5.220 4.442 3.315 5.603 0.383 26 0 "[ . 1 . 2 . 3 ]" 1 2442 2 64 ASP H 2 65 GLN HB3 . . 5.220 5.119 4.097 5.527 0.307 12 0 "[ . 1 . 2 . 3 ]" 1 2443 2 64 ASP HB2 2 65 GLN H . . 4.500 3.936 3.139 4.529 0.029 10 0 "[ . 1 . 2 . 3 ]" 1 2444 2 64 ASP HB3 2 65 GLN H . . 4.500 4.141 2.385 4.554 0.054 19 0 "[ . 1 . 2 . 3 ]" 1 2445 2 65 GLN H 2 65 GLN HG2 . . 4.450 3.151 1.842 4.453 0.003 10 0 "[ . 1 . 2 . 3 ]" 1 2446 2 65 GLN H 2 65 GLN HG3 . . 4.450 3.190 1.852 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 2447 2 65 GLN H 2 66 GLU H . . 5.500 4.536 4.317 4.716 . 0 0 "[ . 1 . 2 . 3 ]" 1 2448 2 65 GLN HA 2 66 GLU H . . 3.320 2.364 2.091 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 2449 2 65 GLN QB 2 66 GLU H . . 4.130 2.713 2.018 3.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 2450 2 65 GLN QB 2 66 GLU HA . . 4.190 4.288 4.173 4.393 0.203 31 0 "[ . 1 . 2 . 3 ]" 1 2451 2 65 GLN QB 2 67 ILE H . . 5.400 5.350 4.821 5.563 0.163 7 0 "[ . 1 . 2 . 3 ]" 1 2452 2 65 GLN HG2 2 66 GLU H . . 5.500 4.458 2.415 5.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 2453 2 65 GLN HG3 2 66 GLU H . . 5.500 4.760 3.701 5.254 . 0 0 "[ . 1 . 2 . 3 ]" 1 2454 2 66 GLU H 2 66 GLU HG2 . . 4.180 3.721 3.467 3.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 2455 2 66 GLU H 2 66 GLU QG . . 3.580 2.545 2.301 2.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 2456 2 66 GLU H 2 66 GLU HG3 . . 4.180 2.594 2.335 2.940 . 0 0 "[ . 1 . 2 . 3 ]" 1 2457 2 66 GLU H 2 67 ILE H . . 5.120 4.571 4.470 4.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 2458 2 66 GLU HA 2 67 ILE MD . . 6.270 5.117 3.220 5.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 2459 2 66 GLU HA 2 67 ILE MG . . 6.270 4.960 3.772 5.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 2460 2 66 GLU QB 2 67 ILE H . . 4.150 2.653 1.980 3.114 . 0 0 "[ . 1 . 2 . 3 ]" 1 2461 2 66 GLU HB2 2 67 ILE H . . 4.740 3.829 3.113 4.242 . 0 0 "[ . 1 . 2 . 3 ]" 1 2462 2 66 GLU HB3 2 67 ILE H . . 4.740 2.712 2.003 3.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 2463 2 66 GLU QG 2 67 ILE H . . 5.040 3.844 3.488 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 2464 2 67 ILE H 2 67 ILE MD . . 5.110 4.105 2.237 4.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 2465 2 67 ILE H 2 67 ILE HG12 . . 4.630 3.590 2.205 4.680 0.050 9 0 "[ . 1 . 2 . 3 ]" 1 2466 2 67 ILE H 2 67 ILE HG13 . . 4.630 3.055 2.069 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1 2467 2 67 ILE H 2 67 ILE MG . . 4.760 3.559 2.937 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1 2468 2 67 ILE H 2 68 ASP H . . 5.220 4.397 4.162 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 1 2469 2 67 ILE HA 2 71 GLU QB . . 4.580 4.071 3.221 4.604 0.024 29 0 "[ . 1 . 2 . 3 ]" 1 2470 2 67 ILE HB 2 68 ASP H . . 4.550 3.646 2.578 4.551 0.001 26 0 "[ . 1 . 2 . 3 ]" 1 2471 2 67 ILE MD 2 68 ASP H . . 5.040 4.695 3.854 5.141 0.101 26 0 "[ . 1 . 2 . 3 ]" 1 2472 2 67 ILE MD 2 71 GLU QB . . 5.080 3.041 2.007 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 2473 2 67 ILE MD 2 71 GLU QG . . 5.200 4.305 3.216 5.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 2474 2 67 ILE QG 2 68 ASP H . . 4.530 3.852 2.227 4.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 2475 2 67 ILE HG12 2 68 ASP H . . 5.220 4.298 2.249 5.338 0.118 19 0 "[ . 1 . 2 . 3 ]" 1 2476 2 67 ILE HG13 2 68 ASP H . . 5.220 4.618 3.591 5.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 2477 2 67 ILE MG 2 68 ASP H . . 4.410 2.762 2.006 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 2478 2 67 ILE MG 2 71 GLU H . . 4.830 3.950 2.655 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 2479 2 67 ILE MG 2 71 GLU HB2 . . 5.220 2.286 1.662 2.991 . 0 0 "[ . 1 . 2 . 3 ]" 1 2480 2 67 ILE MG 2 71 GLU QB . . 4.440 2.157 1.640 2.920 . 0 0 "[ . 1 . 2 . 3 ]" 1 2481 2 67 ILE MG 2 71 GLU HB3 . . 5.220 2.943 2.215 4.078 . 0 0 "[ . 1 . 2 . 3 ]" 1 2482 2 67 ILE MG 2 71 GLU HG2 . . 5.220 4.003 3.351 5.304 0.084 3 0 "[ . 1 . 2 . 3 ]" 1 2483 2 67 ILE MG 2 71 GLU QG . . 4.600 2.795 1.873 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 2484 2 67 ILE MG 2 71 GLU HG3 . . 5.220 2.877 1.883 4.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 2485 2 67 ILE MG 2 72 TYR H . . 4.720 3.771 2.414 4.776 0.056 16 0 "[ . 1 . 2 . 3 ]" 1 2486 2 67 ILE MG 2 72 TYR QB . . 5.110 3.835 2.478 5.241 0.131 5 0 "[ . 1 . 2 . 3 ]" 1 2487 2 68 ASP H 2 71 GLU QB . . 4.400 3.392 2.299 4.277 . 0 0 "[ . 1 . 2 . 3 ]" 1 2488 2 68 ASP H 2 71 GLU HG2 . . 5.220 4.580 3.565 5.475 0.255 19 0 "[ . 1 . 2 . 3 ]" 1 2489 2 68 ASP H 2 71 GLU QG . . 4.350 3.166 2.484 4.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 2490 2 68 ASP H 2 71 GLU HG3 . . 5.220 3.261 2.501 4.369 . 0 0 "[ . 1 . 2 . 3 ]" 1 2491 2 68 ASP HA 2 70 LYS H . . 5.220 4.330 3.910 4.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 2492 2 68 ASP QB 2 69 PHE H . . 4.460 2.786 2.166 4.074 . 0 0 "[ . 1 . 2 . 3 ]" 1 2493 2 68 ASP QB 2 70 LYS H . . 5.010 3.426 2.591 4.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 2494 2 68 ASP HB2 2 69 PHE H . . 5.120 2.948 2.181 4.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 2495 2 68 ASP HB3 2 69 PHE H . . 5.120 3.852 3.577 4.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 2496 2 69 PHE H 2 70 LYS H . . 5.030 3.038 2.861 3.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 2497 2 69 PHE HA 2 72 TYR H . . 4.850 3.549 3.156 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 2498 2 69 PHE HB2 2 70 LYS H . . 4.860 3.691 2.948 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 2499 2 69 PHE HB3 2 70 LYS H . . 4.860 3.541 2.943 4.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 2500 2 69 PHE QD 2 70 LYS H . . 5.220 4.443 2.852 4.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 2501 2 70 LYS H 2 70 LYS QB . . 3.550 2.170 2.013 2.368 . 0 0 "[ . 1 . 2 . 3 ]" 1 2502 2 70 LYS H 2 70 LYS QD . . 5.000 3.800 2.017 4.691 . 0 0 "[ . 1 . 2 . 3 ]" 1 2503 2 70 LYS H 2 70 LYS HG2 . . 4.670 4.249 3.627 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1 2504 2 70 LYS H 2 70 LYS QG . . 4.070 3.529 2.332 4.022 . 0 0 "[ . 1 . 2 . 3 ]" 1 2505 2 70 LYS H 2 70 LYS HG3 . . 4.670 3.880 2.361 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1 2506 2 70 LYS H 2 71 GLU H . . 3.940 2.638 2.436 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 2507 2 70 LYS H 2 71 GLU HA . . 5.220 5.253 4.975 5.404 0.184 29 0 "[ . 1 . 2 . 3 ]" 1 2508 2 70 LYS H 2 71 GLU HG2 . . 5.220 5.085 3.862 5.450 0.230 13 0 "[ . 1 . 2 . 3 ]" 1 2509 2 70 LYS H 2 71 GLU HG3 . . 5.220 4.983 3.989 5.531 0.311 6 0 "[ . 1 . 2 . 3 ]" 1 2510 2 70 LYS H 2 72 TYR H . . 5.030 3.708 3.119 4.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 2511 2 70 LYS H 2 73 SER H . . 5.170 4.529 4.212 4.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 2512 2 70 LYS HA 2 70 LYS QD . . 4.840 3.811 2.374 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1 2513 2 70 LYS HA 2 73 SER H . . 5.120 3.274 2.826 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 2514 2 70 LYS HA 2 73 SER QB . . 4.880 3.402 2.227 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1 2515 2 70 LYS HA 2 74 VAL H . . 5.220 3.870 3.442 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 2516 2 70 LYS QB 2 70 LYS QD . . 2.300 2.199 1.994 2.363 0.063 11 0 "[ . 1 . 2 . 3 ]" 1 2517 2 70 LYS QB 2 70 LYS QE . . 3.390 2.895 1.834 3.581 0.191 19 0 "[ . 1 . 2 . 3 ]" 1 2518 2 70 LYS QB 2 71 GLU H . . 3.790 2.343 2.091 2.626 . 0 0 "[ . 1 . 2 . 3 ]" 1 2519 2 70 LYS QB 2 71 GLU HA . . 4.270 4.062 3.553 4.370 0.100 10 0 "[ . 1 . 2 . 3 ]" 1 2520 2 70 LYS QB 2 72 TYR H . . 4.270 4.408 4.327 4.499 0.229 12 0 "[ . 1 . 2 . 3 ]" 1 2521 2 70 LYS QD 2 70 LYS HG2 . . 2.520 2.385 2.181 2.547 0.027 10 0 "[ . 1 . 2 . 3 ]" 1 2522 2 70 LYS QD 2 70 LYS HG3 . . 2.520 2.300 2.157 2.497 . 0 0 "[ . 1 . 2 . 3 ]" 1 2523 2 70 LYS QE 2 70 LYS HG2 . . 3.890 2.543 2.142 3.556 . 0 0 "[ . 1 . 2 . 3 ]" 1 2524 2 70 LYS QE 2 70 LYS QG . . 3.250 2.247 1.945 3.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 2525 2 70 LYS QE 2 70 LYS HG3 . . 3.890 2.822 1.999 3.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 2526 2 70 LYS HG2 2 71 GLU H . . 5.220 4.390 3.113 5.194 . 0 0 "[ . 1 . 2 . 3 ]" 1 2527 2 70 LYS HG3 2 71 GLU H . . 5.220 4.701 4.293 4.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 2528 2 71 GLU H 2 71 GLU HB2 . . 3.970 2.485 2.208 2.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 2529 2 71 GLU H 2 71 GLU QB . . 3.420 2.440 2.187 2.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 2530 2 71 GLU H 2 71 GLU HB3 . . 3.970 3.596 3.515 3.685 . 0 0 "[ . 1 . 2 . 3 ]" 1 2531 2 71 GLU H 2 71 GLU HG2 . . 3.860 2.673 2.011 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 2532 2 71 GLU H 2 71 GLU QG . . 3.380 2.336 1.905 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 2533 2 71 GLU H 2 71 GLU HG3 . . 3.860 2.850 1.926 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 1 2534 2 71 GLU H 2 72 TYR H . . 4.230 2.709 2.421 2.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 2535 2 71 GLU H 2 72 TYR HB2 . . 5.220 5.271 4.929 5.485 0.265 22 0 "[ . 1 . 2 . 3 ]" 1 2536 2 71 GLU H 2 72 TYR HB3 . . 5.220 4.570 4.035 4.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 2537 2 71 GLU HA 2 71 GLU QG . . 3.570 2.479 2.238 3.037 . 0 0 "[ . 1 . 2 . 3 ]" 1 2538 2 71 GLU HA 2 74 VAL H . . 4.330 3.736 3.102 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 2539 2 71 GLU HA 2 74 VAL HB . . 5.220 5.036 4.784 5.211 . 0 0 "[ . 1 . 2 . 3 ]" 1 2540 2 71 GLU HA 2 74 VAL MG1 . . 4.750 3.851 3.008 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1 2541 2 71 GLU HA 2 74 VAL QG . . 4.010 2.039 1.827 2.186 . 0 0 "[ . 1 . 2 . 3 ]" 1 2542 2 71 GLU HA 2 74 VAL MG2 . . 4.750 2.047 1.835 2.195 . 0 0 "[ . 1 . 2 . 3 ]" 1 2543 2 71 GLU QB 2 72 TYR H . . 4.040 2.667 2.329 3.026 . 0 0 "[ . 1 . 2 . 3 ]" 1 2544 2 71 GLU QG 2 72 TYR H . . 4.570 4.095 3.689 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 2545 2 71 GLU HG2 2 72 TYR H . . 5.220 4.665 4.163 4.970 . 0 0 "[ . 1 . 2 . 3 ]" 1 2546 2 71 GLU HG3 2 72 TYR H . . 5.220 4.604 3.856 5.157 . 0 0 "[ . 1 . 2 . 3 ]" 1 2547 2 72 TYR H 2 73 SER H . . 4.270 2.812 2.621 2.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 2548 2 72 TYR H 2 73 SER QB . . 5.080 4.857 4.322 5.144 0.064 17 0 "[ . 1 . 2 . 3 ]" 1 2549 2 72 TYR HA 2 75 PHE H . . 4.270 3.664 3.358 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 2550 2 72 TYR HA 2 75 PHE HB2 . . 5.060 3.582 3.005 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 2551 2 72 TYR HA 2 75 PHE QB . . 4.460 2.855 2.403 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 2552 2 72 TYR HA 2 75 PHE HB3 . . 5.060 3.017 2.512 3.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 2553 2 72 TYR HA 2 75 PHE QD . . 4.770 4.709 4.256 4.851 0.081 13 0 "[ . 1 . 2 . 3 ]" 1 2554 2 72 TYR HA 2 76 LEU H . . 5.220 4.026 3.740 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 2555 2 72 TYR HA 2 76 LEU QD . . 5.170 4.272 3.179 4.790 . 0 0 "[ . 1 . 2 . 3 ]" 1 2556 2 72 TYR QB 2 73 SER H . . 3.990 2.627 2.245 2.841 . 0 0 "[ . 1 . 2 . 3 ]" 1 2557 2 72 TYR HB2 2 73 SER H . . 4.560 4.022 3.725 4.199 . 0 0 "[ . 1 . 2 . 3 ]" 1 2558 2 72 TYR HB3 2 73 SER H . . 4.560 2.664 2.263 2.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 2559 2 72 TYR HH 2 76 LEU QD . . 6.180 3.167 2.420 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 2560 2 73 SER H 2 74 VAL H . . 4.790 2.837 2.724 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 2561 2 73 SER H 2 74 VAL MG1 . . 5.220 4.516 4.338 4.726 . 0 0 "[ . 1 . 2 . 3 ]" 1 2562 2 73 SER H 2 74 VAL MG2 . . 5.220 4.335 4.105 4.508 . 0 0 "[ . 1 . 2 . 3 ]" 1 2563 2 73 SER H 2 75 PHE H . . 4.270 4.154 4.033 4.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 2564 2 73 SER H 2 76 LEU QD . . 5.900 4.612 4.122 5.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 2565 2 73 SER HA 2 76 LEU H . . 4.790 3.567 3.347 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1 2566 2 73 SER HA 2 76 LEU HB2 . . 4.720 2.739 2.295 3.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 2567 2 73 SER HA 2 76 LEU QB . . 3.970 2.711 2.278 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 2568 2 73 SER HA 2 76 LEU HB3 . . 4.720 4.340 3.831 4.734 0.014 16 0 "[ . 1 . 2 . 3 ]" 1 2569 2 73 SER HA 2 76 LEU MD1 . . 5.220 3.131 2.232 5.292 0.072 27 0 "[ . 1 . 2 . 3 ]" 1 2570 2 73 SER HA 2 76 LEU QD . . 4.570 2.954 2.227 4.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 2571 2 73 SER HA 2 76 LEU MD2 . . 5.220 4.952 2.814 5.253 0.033 31 0 "[ . 1 . 2 . 3 ]" 1 2572 2 73 SER HA 2 76 LEU HG . . 5.220 4.128 3.583 5.233 0.013 30 0 "[ . 1 . 2 . 3 ]" 1 2573 2 73 SER HA 2 77 THR H . . 5.220 3.887 3.777 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1 2574 2 73 SER HA 2 77 THR HB . . 5.220 5.289 5.119 5.386 0.166 12 0 "[ . 1 . 2 . 3 ]" 1 2575 2 73 SER HA 2 77 THR HG1 . . 5.410 4.792 4.385 5.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 2576 2 73 SER QB 2 74 VAL H . . 4.040 3.236 2.543 3.605 . 0 0 "[ . 1 . 2 . 3 ]" 1 2577 2 73 SER QB 2 74 VAL QG . . 5.350 3.799 3.135 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 2578 2 73 SER HB2 2 74 VAL H . . 4.610 3.892 3.660 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1 2579 2 73 SER HB3 2 74 VAL H . . 4.610 3.642 2.574 4.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 2580 2 74 VAL H 2 74 VAL HB . . 3.700 3.722 3.697 3.742 0.042 14 0 "[ . 1 . 2 . 3 ]" 1 2581 2 74 VAL H 2 74 VAL MG1 . . 3.700 2.311 2.148 2.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 2582 2 74 VAL H 2 74 VAL MG2 . . 3.700 2.352 2.197 2.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 2583 2 74 VAL H 2 77 THR HB . . 5.220 4.881 4.675 5.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 2584 2 74 VAL HA 2 76 LEU H . . 5.220 4.676 4.364 4.943 . 0 0 "[ . 1 . 2 . 3 ]" 1 2585 2 74 VAL HA 2 77 THR H . . 5.030 3.365 3.117 3.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 2586 2 74 VAL HA 2 77 THR HB . . 4.270 2.309 2.065 2.696 . 0 0 "[ . 1 . 2 . 3 ]" 1 2587 2 74 VAL HA 2 77 THR HG1 . . 4.280 3.426 2.981 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 2588 2 74 VAL HA 2 77 THR MG . . 5.190 3.686 3.199 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 2589 2 74 VAL HA 2 78 MET H . . 4.590 3.596 3.191 3.818 . 0 0 "[ . 1 . 2 . 3 ]" 1 2590 2 74 VAL HB 2 75 PHE H . . 4.200 3.987 3.855 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 2591 2 74 VAL HB 2 77 THR H . . 5.500 5.301 5.102 5.512 0.012 13 0 "[ . 1 . 2 . 3 ]" 1 2592 2 74 VAL QG 2 75 PHE H . . 4.100 2.463 2.310 2.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 2593 2 74 VAL QG 2 75 PHE HA . . 4.730 3.371 3.145 3.527 . 0 0 "[ . 1 . 2 . 3 ]" 1 2594 2 74 VAL QG 2 75 PHE QB . . 4.590 3.167 2.781 3.423 . 0 0 "[ . 1 . 2 . 3 ]" 1 2595 2 74 VAL QG 2 75 PHE QD . . 6.180 4.240 3.789 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 2596 2 74 VAL QG 2 75 PHE QE . . 6.180 5.972 5.548 6.186 0.006 31 0 "[ . 1 . 2 . 3 ]" 1 2597 2 74 VAL QG 2 77 THR H . . 5.370 4.591 4.424 4.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 2598 2 74 VAL QG 2 77 THR HB . . 5.730 3.863 3.642 4.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 2599 2 74 VAL QG 2 77 THR HG1 . . 6.180 4.334 4.008 5.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 2600 2 74 VAL QG 2 78 MET H . . 4.930 4.412 4.283 4.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 2601 2 74 VAL QG 2 78 MET QB . . 4.430 3.891 3.762 4.280 . 0 0 "[ . 1 . 2 . 3 ]" 1 2602 2 74 VAL QG 2 78 MET ME . . 5.170 3.143 2.851 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 2603 2 75 PHE H 2 75 PHE QB . . 3.590 2.181 2.073 2.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 2604 2 75 PHE H 2 75 PHE QD . . 4.270 4.153 4.009 4.219 . 0 0 "[ . 1 . 2 . 3 ]" 1 2605 2 75 PHE HA 2 75 PHE QD . . 4.270 3.115 2.927 3.221 . 0 0 "[ . 1 . 2 . 3 ]" 1 2606 2 75 PHE HA 2 75 PHE QE . . 4.760 4.730 4.610 4.802 0.042 1 0 "[ . 1 . 2 . 3 ]" 1 2607 2 75 PHE HA 2 78 MET H . . 4.270 3.512 3.198 4.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 2608 2 75 PHE HA 2 78 MET QB . . 4.760 2.467 2.282 3.151 . 0 0 "[ . 1 . 2 . 3 ]" 1 2609 2 75 PHE HA 2 78 MET ME . . 3.810 2.624 2.038 3.900 0.090 25 0 "[ . 1 . 2 . 3 ]" 1 2610 2 75 PHE HA 2 78 MET HG2 . . 5.220 4.323 4.135 5.318 0.098 30 0 "[ . 1 . 2 . 3 ]" 1 2611 2 75 PHE HA 2 78 MET QG . . 4.350 4.097 3.716 4.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 2612 2 75 PHE HA 2 78 MET HG3 . . 5.220 5.225 3.793 5.349 0.129 23 0 "[ . 1 . 2 . 3 ]" 1 2613 2 75 PHE QB 2 76 LEU H . . 4.080 2.442 2.325 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 2614 2 75 PHE QB 2 76 LEU QD . . 4.600 3.860 2.588 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 2615 2 75 PHE HB2 2 76 LEU H . . 4.740 3.743 3.508 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 2616 2 75 PHE HB3 2 76 LEU H . . 4.740 2.476 2.349 2.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 2617 2 75 PHE QD 2 76 LEU H . . 4.820 3.599 3.190 3.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 2618 2 75 PHE QD 2 76 LEU HA . . 4.700 3.394 2.714 3.804 . 0 0 "[ . 1 . 2 . 3 ]" 1 2619 2 75 PHE QD 2 76 LEU QD . . 5.150 3.427 2.143 4.286 . 0 0 "[ . 1 . 2 . 3 ]" 1 2620 2 75 PHE QD 2 79 LEU H . . 5.010 4.370 3.965 5.029 0.019 30 0 "[ . 1 . 2 . 3 ]" 1 2621 2 75 PHE QD 2 79 LEU QB . . 5.030 3.367 2.650 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 2622 2 75 PHE QD 2 79 LEU QD . . 6.180 3.090 2.207 4.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 2623 2 75 PHE QD 2 79 LEU HG . . 5.420 5.072 3.969 5.536 0.116 12 0 "[ . 1 . 2 . 3 ]" 1 2624 2 75 PHE QE 2 76 LEU HA . . 5.820 5.277 4.328 5.834 0.014 25 0 "[ . 1 . 2 . 3 ]" 1 2625 2 75 PHE QE 2 76 LEU QD . . 6.180 4.704 3.567 5.679 . 0 0 "[ . 1 . 2 . 3 ]" 1 2626 2 75 PHE QE 2 79 LEU QB . . 5.220 3.898 2.824 5.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 2627 2 75 PHE QE 2 79 LEU QD . . 6.180 2.557 2.065 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 2628 2 75 PHE QE 2 79 LEU HG . . 5.480 4.786 3.535 5.504 0.024 1 0 "[ . 1 . 2 . 3 ]" 1 2629 2 76 LEU H 2 76 LEU MD1 . . 4.940 3.598 2.300 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 2630 2 76 LEU H 2 76 LEU QD . . 4.230 3.091 2.272 3.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 2631 2 76 LEU H 2 76 LEU MD2 . . 4.940 3.473 2.476 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1 2632 2 76 LEU H 2 76 LEU HG . . 3.990 2.672 2.308 3.999 0.009 19 0 "[ . 1 . 2 . 3 ]" 1 2633 2 76 LEU H 2 77 THR H . . 4.290 2.809 2.681 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 2634 2 76 LEU H 2 77 THR HB . . 5.220 4.902 4.587 5.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 2635 2 76 LEU H 2 77 THR HG1 . . 5.220 5.841 5.584 6.078 0.858 15 27 "[****** *******+***** * *** *-**]" 1 2636 2 76 LEU HA 2 76 LEU QD . . 4.050 2.011 1.870 2.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 2637 2 76 LEU HA 2 77 THR HG1 . . 6.270 6.804 6.592 6.895 0.625 1 21 "[+* ** *** **-* * ** ******3*]" 1 2638 2 76 LEU HB2 2 77 THR H . . 4.650 2.636 2.495 3.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 2639 2 76 LEU HB3 2 77 THR H . . 4.650 3.400 3.191 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1 2640 2 76 LEU MD1 2 77 THR H . . 5.220 4.477 4.314 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1 2641 2 76 LEU MD2 2 77 THR H . . 5.220 4.693 4.416 4.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 2642 2 76 LEU HG 2 77 THR H . . 5.220 4.652 4.399 5.281 0.061 21 0 "[ . 1 . 2 . 3 ]" 1 2643 2 77 THR H 2 77 THR HG1 . . 4.180 3.377 3.235 3.487 . 0 0 "[ . 1 . 2 . 3 ]" 1 2644 2 77 THR H 2 77 THR MG . . 4.710 3.743 3.671 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 2645 2 77 THR HA 2 80 CYS H . . 4.310 3.550 3.094 3.886 . 0 0 "[ . 1 . 2 . 3 ]" 1 2646 2 77 THR HA 2 80 CYS HB2 . . 5.040 3.588 2.864 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 2647 2 77 THR HA 2 80 CYS QB . . 4.390 2.721 2.220 3.320 . 0 0 "[ . 1 . 2 . 3 ]" 1 2648 2 77 THR HA 2 80 CYS HB3 . . 5.040 2.826 2.312 3.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 2649 2 77 THR HA 2 81 MET H . . 5.220 4.057 3.699 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1 2650 2 77 THR HB 2 78 MET H . . 4.270 2.545 2.266 2.864 . 0 0 "[ . 1 . 2 . 3 ]" 1 2651 2 77 THR HG1 2 78 MET H . . 5.080 4.719 4.491 4.958 . 0 0 "[ . 1 . 2 . 3 ]" 1 2652 2 77 THR MG 2 78 MET H . . 5.050 3.319 2.957 3.628 . 0 0 "[ . 1 . 2 . 3 ]" 1 2653 2 77 THR MG 2 81 MET ME . . 5.040 4.346 2.396 5.085 0.045 19 0 "[ . 1 . 2 . 3 ]" 1 2654 2 78 MET H 2 78 MET ME . . 4.280 3.932 3.727 4.396 0.116 30 0 "[ . 1 . 2 . 3 ]" 1 2655 2 78 MET H 2 78 MET QG . . 4.020 3.887 2.387 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 2656 2 78 MET HA 2 78 MET QG . . 3.650 2.466 2.294 2.564 . 0 0 "[ . 1 . 2 . 3 ]" 1 2657 2 78 MET HA 2 81 MET H . . 4.680 3.621 3.310 4.002 . 0 0 "[ . 1 . 2 . 3 ]" 1 2658 2 78 MET QB 2 78 MET ME . . 3.850 2.108 1.994 2.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 2659 2 78 MET QG 2 79 LEU H . . 4.000 3.599 3.219 4.048 0.048 30 0 "[ . 1 . 2 . 3 ]" 1 2660 2 78 MET HG2 2 79 LEU H . . 4.560 3.858 3.319 4.669 0.109 30 0 "[ . 1 . 2 . 3 ]" 1 2661 2 78 MET HG3 2 79 LEU H . . 4.560 4.451 4.076 4.638 0.078 4 0 "[ . 1 . 2 . 3 ]" 1 2662 2 79 LEU H 2 79 LEU MD1 . . 4.660 4.002 2.639 4.325 . 0 0 "[ . 1 . 2 . 3 ]" 1 2663 2 79 LEU H 2 79 LEU MD2 . . 4.660 3.774 2.408 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 2664 2 79 LEU H 2 79 LEU HG . . 5.500 4.414 4.206 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1 2665 2 79 LEU H 2 80 CYS H . . 4.090 2.764 2.642 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 2666 2 79 LEU H 2 80 CYS HB2 . . 5.220 4.987 4.670 5.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 2667 2 79 LEU H 2 80 CYS HB3 . . 5.220 4.962 4.609 5.271 0.051 2 0 "[ . 1 . 2 . 3 ]" 1 2668 2 79 LEU H 2 81 MET H . . 5.220 4.231 3.860 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 2669 2 79 LEU HA 2 79 LEU MD1 . . 4.670 2.076 1.876 3.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 2670 2 79 LEU HA 2 79 LEU QD . . 3.980 1.971 1.775 2.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 2671 2 79 LEU HA 2 79 LEU MD2 . . 4.670 3.186 1.946 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 2672 2 79 LEU HA 2 79 LEU HG . . 3.920 3.336 2.519 3.716 . 0 0 "[ . 1 . 2 . 3 ]" 1 2673 2 79 LEU HA 2 82 ALA H . . 5.010 3.296 2.932 3.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 2674 2 79 LEU HA 2 82 ALA MB . . 5.220 2.439 2.064 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 2675 2 79 LEU HA 2 83 TYR QD . . 5.030 4.572 3.938 5.115 0.085 14 0 "[ . 1 . 2 . 3 ]" 1 2676 2 79 LEU HA 2 83 TYR QE . . 5.220 4.481 3.596 5.266 0.046 13 0 "[ . 1 . 2 . 3 ]" 1 2677 2 79 LEU QB 2 80 CYS H . . 4.260 2.655 2.400 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1 2678 2 79 LEU QB 2 83 TYR QD . . 6.060 5.080 4.047 5.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 2679 2 79 LEU QB 2 83 TYR QE . . 4.490 3.872 2.274 4.596 0.106 23 0 "[ . 1 . 2 . 3 ]" 1 2680 2 79 LEU QD 2 80 CYS H . . 4.970 3.950 3.479 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 2681 2 79 LEU QD 2 82 ALA H . . 5.170 4.099 3.701 4.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 2682 2 79 LEU QD 2 82 ALA HA . . 5.170 5.160 4.685 5.252 0.082 7 0 "[ . 1 . 2 . 3 ]" 1 2683 2 79 LEU QD 2 83 TYR QD . . 4.780 3.120 2.379 4.825 0.045 8 0 "[ . 1 . 2 . 3 ]" 1 2684 2 79 LEU QD 2 83 TYR QE . . 4.520 2.527 2.009 4.070 . 0 0 "[ . 1 . 2 . 3 ]" 1 2685 2 79 LEU MD1 2 80 CYS H . . 6.070 4.333 3.613 4.771 . 0 0 "[ . 1 . 2 . 3 ]" 1 2686 2 79 LEU MD1 2 83 TYR QD . . 5.790 3.177 2.386 5.155 . 0 0 "[ . 1 . 2 . 3 ]" 1 2687 2 79 LEU MD1 2 83 TYR QE . . 5.430 2.633 2.014 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 2688 2 79 LEU MD2 2 80 CYS H . . 6.070 4.600 4.277 4.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 2689 2 79 LEU MD2 2 83 TYR QD . . 5.790 5.167 3.192 5.812 0.022 8 0 "[ . 1 . 2 . 3 ]" 1 2690 2 79 LEU MD2 2 83 TYR QE . . 5.430 4.187 2.955 5.151 . 0 0 "[ . 1 . 2 . 3 ]" 1 2691 2 79 LEU HG 2 83 TYR QD . . 5.170 4.731 3.639 5.287 0.117 20 0 "[ . 1 . 2 . 3 ]" 1 2692 2 79 LEU HG 2 83 TYR QE . . 5.100 3.251 2.065 4.801 . 0 0 "[ . 1 . 2 . 3 ]" 1 2693 2 80 CYS H 2 81 MET H . . 4.270 2.834 2.649 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 2694 2 80 CYS HA 2 83 TYR H . . 5.120 4.041 3.349 5.001 . 0 0 "[ . 1 . 2 . 3 ]" 1 2695 2 80 CYS HA 2 83 TYR QD . . 6.270 4.107 3.442 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 2696 2 80 CYS HA 2 83 TYR QE . . 6.270 3.361 2.554 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 2697 2 80 CYS QB 2 81 MET H . . 4.120 2.610 2.305 3.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 2698 2 80 CYS HB2 2 81 MET H . . 4.740 3.902 3.669 4.119 . 0 0 "[ . 1 . 2 . 3 ]" 1 2699 2 80 CYS HB3 2 81 MET H . . 4.740 2.653 2.330 3.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 2700 2 81 MET H 2 81 MET ME . . 4.710 4.328 2.249 4.787 0.077 31 0 "[ . 1 . 2 . 3 ]" 1 2701 2 81 MET H 2 81 MET QG . . 4.370 3.300 2.122 4.048 . 0 0 "[ . 1 . 2 . 3 ]" 1 2702 2 81 MET H 2 82 ALA H . . 4.270 2.690 2.349 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1 2703 2 81 MET H 2 82 ALA HA . . 5.220 5.270 4.961 5.370 0.150 14 0 "[ . 1 . 2 . 3 ]" 1 2704 2 81 MET H 2 82 ALA MB . . 5.220 4.323 3.950 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1 2705 2 81 MET HA 2 81 MET ME . . 3.810 3.765 2.322 4.032 0.222 14 0 "[ . 1 . 2 . 3 ]" 1 2706 2 81 MET HA 2 84 ASN H . . 5.180 3.393 2.538 5.258 0.078 31 0 "[ . 1 . 2 . 3 ]" 1 2707 2 81 MET HB2 2 82 ALA H . . 5.220 3.963 2.753 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 2708 2 81 MET HB3 2 82 ALA H . . 5.220 3.553 2.679 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1 2709 2 81 MET QG 2 82 ALA H . . 5.220 3.983 2.757 4.866 . 0 0 "[ . 1 . 2 . 3 ]" 1 2710 2 82 ALA H 2 83 TYR H . . 4.110 2.814 2.278 3.075 . 0 0 "[ . 1 . 2 . 3 ]" 1 2711 2 82 ALA MB 2 83 TYR H . . 4.250 3.242 2.490 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1 2712 2 82 ALA MB 2 83 TYR HA . . 6.170 4.427 4.032 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1 2713 2 83 TYR H 2 83 TYR QD . . 4.550 3.348 2.786 3.622 . 0 0 "[ . 1 . 2 . 3 ]" 1 2714 2 83 TYR H 2 84 ASN H . . 4.250 2.191 1.849 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 2715 2 83 TYR HB2 2 84 ASN H . . 5.500 4.339 3.766 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 2716 2 83 TYR HB3 2 84 ASN H . . 5.500 4.594 4.461 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 2717 2 83 TYR QD 2 84 ASN H . . 5.120 3.945 3.163 4.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 2718 2 83 TYR QD 2 84 ASN HA . . 4.530 3.622 2.703 4.177 . 0 0 "[ . 1 . 2 . 3 ]" 1 2719 2 83 TYR QD 2 84 ASN QB . . 5.350 4.487 3.884 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 2720 2 83 TYR QE 2 84 ASN HA . . 5.300 5.069 4.141 5.406 0.106 27 0 "[ . 1 . 2 . 3 ]" 1 2721 2 83 TYR QE 2 84 ASN QB . . 5.620 5.089 4.040 5.641 0.021 25 0 "[ . 1 . 2 . 3 ]" 1 2722 2 84 ASN H 2 85 ASP H . . 5.220 3.623 2.460 4.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 2723 2 84 ASN HA 2 85 ASP HA . . 4.550 4.567 4.331 4.765 0.215 15 0 "[ . 1 . 2 . 3 ]" 1 2724 2 84 ASN QB 2 87 PHE QD . . 3.940 2.732 2.079 3.981 0.041 28 0 "[ . 1 . 2 . 3 ]" 1 2725 2 84 ASN QB 2 87 PHE QE . . 4.610 3.070 2.180 4.634 0.024 5 0 "[ . 1 . 2 . 3 ]" 1 2726 2 84 ASN HB2 2 87 PHE QD . . 4.610 3.628 2.100 4.696 0.086 15 0 "[ . 1 . 2 . 3 ]" 1 2727 2 84 ASN HB2 2 87 PHE QE . . 5.430 3.711 2.197 5.329 . 0 0 "[ . 1 . 2 . 3 ]" 1 2728 2 84 ASN HB3 2 87 PHE QD . . 4.610 3.118 2.232 4.648 0.038 3 0 "[ . 1 . 2 . 3 ]" 1 2729 2 84 ASN HB3 2 87 PHE QE . . 5.430 3.506 2.527 5.449 0.019 18 0 "[ . 1 . 2 . 3 ]" 1 2730 2 85 ASP H 2 85 ASP QB . . 3.910 2.519 2.056 3.338 . 0 0 "[ . 1 . 2 . 3 ]" 1 2731 2 85 ASP HA 2 87 PHE H . . 5.220 3.723 3.071 4.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 2732 2 85 ASP HA 2 88 LEU H . . 4.270 3.450 2.549 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 2733 2 85 ASP HA 2 88 LEU HB2 . . 4.270 2.818 1.954 4.380 0.110 27 0 "[ . 1 . 2 . 3 ]" 1 2734 2 85 ASP HA 2 88 LEU HB3 . . 4.270 3.590 2.205 4.409 0.139 23 0 "[ . 1 . 2 . 3 ]" 1 2735 2 85 ASP HA 2 88 LEU MD1 . . 5.540 3.508 1.803 5.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 2736 2 85 ASP HA 2 88 LEU QD . . 4.210 3.024 1.797 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1 2737 2 85 ASP HA 2 88 LEU MD2 . . 5.540 4.290 2.427 5.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 2738 2 85 ASP HA 2 88 LEU HG . . 4.270 3.819 2.118 4.422 0.152 23 0 "[ . 1 . 2 . 3 ]" 1 2739 2 85 ASP QB 2 86 PHE H . . 4.440 3.289 2.028 3.696 . 0 0 "[ . 1 . 2 . 3 ]" 1 2740 2 85 ASP QB 2 88 LEU H . . 5.080 4.561 3.971 5.148 0.068 19 0 "[ . 1 . 2 . 3 ]" 1 2741 2 85 ASP QB 2 88 LEU QB . . 5.080 3.674 2.915 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1 2742 2 86 PHE H 2 87 PHE H . . 4.870 2.900 2.336 3.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 2743 2 86 PHE H 2 88 LEU H . . 5.220 4.220 2.705 4.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 2744 2 86 PHE QB 2 87 PHE H . . 5.030 3.078 2.480 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 2745 2 86 PHE QD 2 87 PHE H . . 5.220 4.473 3.412 5.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 2746 2 87 PHE H 2 87 PHE QE . . 5.220 4.593 4.112 5.088 . 0 0 "[ . 1 . 2 . 3 ]" 1 2747 2 87 PHE H 2 88 LEU QD . . 5.170 3.912 2.389 5.287 0.117 14 0 "[ . 1 . 2 . 3 ]" 1 2748 2 87 PHE HA 2 87 PHE QD . . 4.270 2.940 2.180 3.785 . 0 0 "[ . 1 . 2 . 3 ]" 1 2749 2 87 PHE HA 2 87 PHE QE . . 5.860 4.997 4.429 5.774 . 0 0 "[ . 1 . 2 . 3 ]" 1 2750 2 87 PHE QB 2 88 LEU H . . 4.310 3.657 3.080 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 2751 2 87 PHE QB 2 88 LEU QD . . 5.030 3.923 1.993 5.084 0.054 29 0 "[ . 1 . 2 . 3 ]" 1 2752 2 87 PHE HB2 2 88 LEU H . . 4.940 3.947 3.191 4.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 2753 2 87 PHE HB3 2 88 LEU H . . 4.940 4.420 4.053 4.631 . 0 0 "[ . 1 . 2 . 3 ]" 1 2754 2 88 LEU H 2 88 LEU HB2 . . 3.750 2.588 2.173 3.567 . 0 0 "[ . 1 . 2 . 3 ]" 1 2755 2 88 LEU H 2 88 LEU QB . . 3.210 2.270 2.131 2.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 2756 2 88 LEU H 2 88 LEU HB3 . . 3.750 3.140 2.187 3.764 0.014 30 0 "[ . 1 . 2 . 3 ]" 1 2757 2 88 LEU H 2 88 LEU MD1 . . 4.400 3.600 1.793 4.380 . 0 0 "[ . 1 . 2 . 3 ]" 1 2758 2 88 LEU H 2 88 LEU MD2 . . 4.400 3.782 2.561 4.541 0.141 30 0 "[ . 1 . 2 . 3 ]" 1 2759 2 88 LEU H 2 88 LEU HG . . 4.110 3.795 2.664 4.303 0.193 7 0 "[ . 1 . 2 . 3 ]" 1 2760 2 88 LEU H 2 89 GLU H . . 5.500 4.238 3.001 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 2761 2 88 LEU HA 2 88 LEU MD1 . . 4.620 3.250 2.070 3.818 . 0 0 "[ . 1 . 2 . 3 ]" 1 2762 2 88 LEU HA 2 88 LEU QD . . 3.930 2.422 1.930 3.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 2763 2 88 LEU HA 2 88 LEU MD2 . . 4.620 2.679 1.988 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 2764 2 88 LEU HA 2 89 GLU H . . 3.150 2.760 2.048 3.519 0.369 15 0 "[ . 1 . 2 . 3 ]" 1 2765 2 88 LEU HA 2 90 ASP H . . 5.140 4.442 3.908 5.140 . 29 0 "[ . 1 . 2 . 3 ]" 1 2766 2 88 LEU HB2 2 89 GLU H . . 3.980 3.156 2.123 4.037 0.057 30 0 "[ . 1 . 2 . 3 ]" 1 2767 2 88 LEU HB3 2 89 GLU H . . 3.980 2.485 1.640 4.044 0.064 11 0 "[ . 1 . 2 . 3 ]" 1 2768 2 88 LEU QD 2 89 GLU H . . 3.760 2.772 1.632 3.791 0.031 30 0 "[ . 1 . 2 . 3 ]" 1 2769 2 88 LEU QD 2 90 ASP H . . 5.170 2.960 1.855 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 2770 2 88 LEU QD 2 92 LYS H . . 5.170 4.246 2.811 5.248 0.078 7 0 "[ . 1 . 2 . 3 ]" 1 2771 2 88 LEU MD1 2 89 GLU H . . 5.220 3.726 2.323 4.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 2772 2 88 LEU MD2 2 89 GLU H . . 5.220 3.215 1.634 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 2773 2 88 LEU HG 2 89 GLU H . . 5.220 4.272 3.596 5.002 . 0 0 "[ . 1 . 2 . 3 ]" 1 2774 2 88 LEU HG 2 90 ASP H . . 5.060 4.914 4.430 5.203 0.143 16 0 "[ . 1 . 2 . 3 ]" 1 2775 2 89 GLU H 2 89 GLU HB2 . . 3.890 2.710 2.024 3.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 2776 2 89 GLU H 2 89 GLU QB . . 3.280 2.552 2.007 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 2777 2 89 GLU H 2 89 GLU HB3 . . 3.890 3.399 2.279 4.005 0.115 25 0 "[ . 1 . 2 . 3 ]" 1 2778 2 89 GLU H 2 89 GLU QG . . 4.270 3.722 2.532 4.332 0.062 9 0 "[ . 1 . 2 . 3 ]" 1 2779 2 89 GLU HA 2 90 ASP QB . . 4.700 4.378 3.559 4.855 0.155 2 0 "[ . 1 . 2 . 3 ]" 1 2780 2 89 GLU QB 2 90 ASP H . . 3.600 2.881 2.089 3.772 0.172 16 0 "[ . 1 . 2 . 3 ]" 1 2781 2 89 GLU HB2 2 90 ASP H . . 4.120 3.399 2.269 4.399 0.279 16 0 "[ . 1 . 2 . 3 ]" 1 2782 2 89 GLU HB3 2 90 ASP H . . 4.120 3.394 2.102 4.463 0.343 6 0 "[ . 1 . 2 . 3 ]" 1 2783 2 89 GLU QG 2 90 ASP H . . 4.620 4.295 2.829 4.835 0.215 1 0 "[ . 1 . 2 . 3 ]" 1 2784 2 90 ASP H 2 90 ASP HB2 . . 3.730 3.439 2.180 3.966 0.236 6 0 "[ . 1 . 2 . 3 ]" 1 2785 2 90 ASP H 2 90 ASP QB . . 3.250 2.995 2.083 3.294 0.044 18 0 "[ . 1 . 2 . 3 ]" 1 2786 2 90 ASP H 2 90 ASP HB3 . . 3.730 3.433 2.643 4.084 0.354 31 0 "[ . 1 . 2 . 3 ]" 1 2787 2 90 ASP HA 2 92 LYS H . . 5.150 4.414 3.102 5.347 0.197 7 0 "[ . 1 . 2 . 3 ]" 1 2788 2 91 ASN H 2 91 ASN QB . . 3.610 2.734 2.131 3.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 2789 2 91 ASN H 2 92 LYS H . . 4.110 3.000 1.669 4.199 0.089 7 0 "[ . 1 . 2 . 3 ]" 1 2790 2 91 ASN HB2 2 92 LYS H . . 4.790 4.049 2.069 4.656 . 0 0 "[ . 1 . 2 . 3 ]" 1 2791 2 91 ASN HB3 2 92 LYS H . . 4.790 3.674 1.986 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 2792 2 92 LYS H 2 92 LYS QB . . 3.510 2.913 2.201 3.541 0.031 4 0 "[ . 1 . 2 . 3 ]" 1 2793 2 92 LYS H 2 92 LYS QD . . 3.730 3.149 1.901 3.956 0.226 25 0 "[ . 1 . 2 . 3 ]" 1 2794 2 92 LYS H 2 92 LYS QG . . 3.820 3.192 1.954 3.891 0.071 22 0 "[ . 1 . 2 . 3 ]" 1 2795 2 92 LYS HA 2 92 LYS QD . . 4.200 3.324 2.028 4.429 0.229 13 0 "[ . 1 . 2 . 3 ]" 1 2796 2 92 LYS HA 2 92 LYS QE . . 4.610 4.037 1.831 4.646 0.036 29 0 "[ . 1 . 2 . 3 ]" 1 2797 2 92 LYS QB 2 92 LYS QE . . 4.140 3.139 1.967 3.870 . 0 0 "[ . 1 . 2 . 3 ]" 1 2798 2 92 LYS HB2 2 92 LYS QE . . 4.900 3.660 2.043 4.555 . 0 0 "[ . 1 . 2 . 3 ]" 1 2799 2 92 LYS HB3 2 92 LYS QE . . 4.900 3.670 2.015 4.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 2800 2 92 LYS QD 2 92 LYS QE . . 2.280 2.057 1.959 2.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 stop_ save_
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