NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
437999 | 2k42 | 16824 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k42 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 1473 _Distance_constraint_stats_list.Viol_count 2494 _Distance_constraint_stats_list.Viol_total 6798.265 _Distance_constraint_stats_list.Viol_max 0.912 _Distance_constraint_stats_list.Viol_rms 0.0587 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0115 _Distance_constraint_stats_list.Viol_average_violations_only 0.1363 _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 4 SER 1.859 0.237 6 0 "[ . 1 . 2]" 1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 PHE 1.520 0.266 3 0 "[ . 1 . 2]" 1 7 LYS 1.367 0.173 4 0 "[ . 1 . 2]" 1 8 HIS 3.777 0.250 19 0 "[ . 1 . 2]" 1 9 VAL 11.392 0.758 10 9 "[ ** .* -*+ * ** 2]" 1 10 SER 5.225 0.912 20 2 "[- . 1 . +]" 1 11 HIS 7.649 0.388 19 0 "[ . 1 . 2]" 1 12 VAL 11.708 0.912 20 2 "[- . 1 . +]" 1 13 GLY 0.839 0.149 17 0 "[ . 1 . 2]" 1 14 TRP 6.696 0.571 16 2 "[ . 1 - .+ 2]" 1 15 ASP 6.671 0.633 5 3 "[ +- 1 * 2]" 1 16 PRO 5.613 0.633 5 3 "[ +- 1 * 2]" 1 17 GLN 4.095 0.165 18 0 "[ . 1 . 2]" 1 18 ASN 3.418 0.563 9 4 "[ * . -+* . 2]" 1 19 GLY 5.038 0.571 16 2 "[ . 1 - .+ 2]" 1 20 PHE 3.184 0.174 2 0 "[ . 1 . 2]" 1 21 ASP 0.849 0.293 20 0 "[ . 1 . 2]" 1 22 VAL 4.834 0.287 16 0 "[ . 1 . 2]" 1 23 ASN 1.242 0.487 7 0 "[ . 1 . 2]" 1 24 ASN 2.655 0.487 7 0 "[ . 1 . 2]" 1 25 LEU 8.193 0.392 13 0 "[ . 1 . 2]" 1 26 ASP 1.040 0.178 1 0 "[ . 1 . 2]" 1 27 PRO 1.449 0.567 10 1 "[ . + . 2]" 1 28 ASP 5.893 0.345 9 0 "[ . 1 . 2]" 1 29 LEU 6.144 0.280 1 0 "[ . 1 . 2]" 1 30 ARG 12.121 0.888 15 12 "[ *. ***** *+***-2]" 1 31 SER 7.044 0.408 20 0 "[ . 1 . 2]" 1 32 LEU 21.067 0.606 20 3 "[- .* 1 . +]" 1 33 PHE 6.779 0.321 7 0 "[ . 1 . 2]" 1 34 SER 0.756 0.078 7 0 "[ . 1 . 2]" 1 35 ARG 10.594 0.485 5 0 "[ . 1 . 2]" 1 36 ALA 2.612 0.169 14 0 "[ . 1 . 2]" 1 37 GLY 0.878 0.136 1 0 "[ . 1 . 2]" 1 38 ILE 6.141 0.384 5 0 "[ . 1 . 2]" 1 39 SER 6.887 0.570 12 1 "[ . 1 + . 2]" 1 40 GLU 1.034 0.122 15 0 "[ . 1 . 2]" 1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 GLN 10.035 0.638 4 3 "[ +. 1 - . *]" 1 43 LEU 5.094 0.392 13 0 "[ . 1 . 2]" 1 44 THR 7.520 0.859 12 7 "[ * . **+**. - 2]" 1 45 ASP 12.366 0.859 12 7 "[ * . **+**. - 2]" 1 46 ALA 1.159 0.140 16 0 "[ . 1 . 2]" 1 47 GLU 1.597 0.824 12 1 "[ . 1 + . 2]" 1 48 THR 11.979 0.638 4 1 "[ +. 1 . 2]" 1 49 SER 2.394 0.510 17 1 "[ . 1 . + 2]" 1 50 LYS 5.966 0.533 19 1 "[ . 1 . +2]" 1 51 LEU 10.931 0.673 3 4 "[ *+ . 1 - . *]" 1 52 ILE 7.214 0.233 13 0 "[ . 1 . 2]" 1 53 TYR 2.393 0.238 11 0 "[ . 1 . 2]" 1 54 ASP 0.691 0.099 17 0 "[ . 1 . 2]" 1 55 PHE 24.723 0.878 2 11 "[ +* * -* 1** *** *]" 1 56 ILE 8.308 0.280 1 0 "[ . 1 . 2]" 1 57 GLU 3.617 0.368 5 0 "[ . 1 . 2]" 1 58 ASP 7.096 0.428 2 0 "[ . 1 . 2]" 1 59 GLN 3.957 0.715 16 2 "[- . 1 .+ 2]" 1 60 GLY 0.121 0.061 11 0 "[ . 1 . 2]" 1 61 GLY 1.212 0.153 14 0 "[ . 1 . 2]" 1 62 LEU 7.524 0.280 1 0 "[ . 1 . 2]" 1 63 GLU 9.052 0.853 19 3 "[ . 1* - . +2]" 1 64 ALA 1.226 0.853 19 1 "[ . 1 . +2]" 1 65 VAL 3.586 0.312 11 0 "[ . 1 . 2]" 1 66 ARG 8.896 0.613 11 2 "[ . 1+ - . 2]" 1 67 GLN 9.339 0.712 19 5 "[* *. -1 . * +2]" 1 68 GLU 13.947 0.784 6 6 "[* .+ *- ** . 2]" 1 69 MET 14.199 0.472 8 0 "[ . 1 . 2]" 1 70 ARG 8.298 0.808 12 8 "[* **.* *-1 + .* 2]" 1 71 ARG 12.334 0.783 19 9 "[ * *- * 1 * .** +*]" 1 72 GLN 3.276 0.225 5 0 "[ . 1 . 2]" 2 2 HIS 2.699 0.184 15 0 "[ . 1 . 2]" 2 3 MET 0.937 0.227 11 0 "[ . 1 . 2]" 2 4 LEU 5.342 0.280 11 0 "[ . 1 . 2]" 2 5 PRO 4.788 0.321 7 0 "[ . 1 . 2]" 2 6 ASP 4.542 0.321 7 0 "[ . 1 . 2]" 2 7 VAL 31.595 0.784 6 7 "[- .+ ** ** . *]" 2 8 ALA 11.326 0.397 7 0 "[ . 1 . 2]" 2 9 GLN 2.330 0.199 7 0 "[ . 1 . 2]" 2 10 ARG 14.268 0.878 2 10 "[ +* * -* 1** ** *]" 2 11 LEU 13.404 0.715 16 1 "[ . 1 .+ 2]" 2 12 MET 3.256 0.285 9 0 "[ . 1 . 2]" 2 13 GLN 3.946 0.531 5 1 "[ + 1 . 2]" 2 14 HIS 4.792 0.531 5 1 "[ + 1 . 2]" 2 15 LEU 4.383 0.445 20 0 "[ . 1 . 2]" 2 16 ALA 1.993 0.130 2 0 "[ . 1 . 2]" 2 17 GLU 3.011 0.531 5 1 "[ + 1 . 2]" 2 18 HIS 2.846 0.228 5 0 "[ . 1 . 2]" 2 19 GLY 1.330 0.824 12 1 "[ . 1 + . 2]" 2 20 ILE 18.582 0.673 3 4 "[ *+ . 1 - . *]" 2 21 GLN 8.229 0.824 12 1 "[ . 1 + . 2]" 2 22 PRO 5.820 0.391 13 0 "[ . 1 . 2]" 2 23 ALA 4.287 0.570 12 1 "[ . 1 + . 2]" 2 24 ARG 6.225 0.330 14 0 "[ . 1 . 2]" 2 25 ASN 3.002 0.412 18 0 "[ . 1 . 2]" 2 26 MET 0.375 0.179 20 0 "[ . 1 . 2]" 2 27 ALA 0.375 0.179 20 0 "[ . 1 . 2]" 2 28 GLU 0.243 0.200 9 0 "[ . 1 . 2]" 2 29 HIS 3.650 0.248 5 0 "[ . 1 . 2]" 2 30 ILE 0.518 0.185 3 0 "[ . 1 . 2]" 2 31 PRO 0.105 0.075 4 0 "[ . 1 . 2]" 2 32 PRO 0.412 0.095 6 0 "[ . 1 . 2]" 2 33 ALA 3.332 0.567 16 2 "[ . 1 .+ -2]" 2 34 PRO 3.336 0.567 16 2 "[ . 1 .+ -2]" 2 35 ASN 0.288 0.067 16 0 "[ . 1 . 2]" 2 36 TRP 0.001 0.001 7 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 4 SER HA 1 4 SER HB2 2.193 . 2.794 2.751 2.469 3.031 0.237 6 0 "[ . 1 . 2]" 1 2 1 5 GLY H 1 5 GLY HA3 2.603 . 3.450 2.263 2.042 2.578 . 0 0 "[ . 1 . 2]" 1 3 1 5 GLY HA2 1 6 PHE H 3.160 . 4.408 2.881 2.137 3.558 . 0 0 "[ . 1 . 2]" 1 4 1 5 GLY HA2 1 6 PHE HD1 7.405 . 14.259 6.009 3.335 7.235 . 0 0 "[ . 1 . 2]" 1 5 1 5 GLY HA2 1 6 PHE QD 4.366 . 6.748 5.157 3.329 6.612 . 0 0 "[ . 1 . 2]" 1 6 1 6 PHE H 1 6 PHE HB3 3.253 . 4.576 3.039 2.371 3.734 . 0 0 "[ . 1 . 2]" 1 7 1 6 PHE HA 1 6 PHE HB2 2.174 . 2.765 2.692 2.423 3.031 0.266 3 0 "[ . 1 . 2]" 1 8 1 6 PHE HA 1 6 PHE HB3 2.424 . 3.159 2.734 2.295 3.029 . 0 0 "[ . 1 . 2]" 1 9 1 6 PHE HA 1 7 LYS H 2.800 . 3.780 2.463 2.108 3.523 . 0 0 "[ . 1 . 2]" 1 10 1 6 PHE HB2 1 6 PHE QD 3.787 . 5.580 2.447 2.281 2.672 . 0 0 "[ . 1 . 2]" 1 11 1 6 PHE HB2 1 6 PHE QE 4.184 . 6.372 4.418 4.370 4.479 . 0 0 "[ . 1 . 2]" 1 12 1 6 PHE HB3 1 6 PHE QE 4.559 . 7.157 4.408 4.371 4.492 . 0 0 "[ . 1 . 2]" 1 13 1 6 PHE QD 1 7 LYS HA 5.107 . 8.367 5.239 4.200 6.205 . 0 0 "[ . 1 . 2]" 1 14 1 6 PHE QD 1 7 LYS QG 4.896 . 7.893 5.504 3.242 6.472 . 0 0 "[ . 1 . 2]" 1 15 1 6 PHE HD2 1 9 VAL QG 6.295 . 11.249 4.362 2.290 7.730 . 0 0 "[ . 1 . 2]" 1 16 1 6 PHE HD2 1 10 SER QB 7.498 . 14.526 8.765 2.961 12.335 . 0 0 "[ . 1 . 2]" 1 17 1 6 PHE HD2 1 11 HIS HA 7.055 . 13.277 9.714 5.413 12.422 . 0 0 "[ . 1 . 2]" 1 18 1 6 PHE QE 1 9 VAL QG 4.471 . 6.970 3.653 1.957 6.759 0.015 5 0 "[ . 1 . 2]" 1 19 1 6 PHE QE 1 14 TRP HE3 5.365 . 8.963 7.782 4.292 8.981 0.018 17 0 "[ . 1 . 2]" 1 20 1 7 LYS H 1 7 LYS HB3 3.482 . 4.998 3.309 2.504 3.785 . 0 0 "[ . 1 . 2]" 1 21 1 7 LYS HA 1 7 LYS HB2 2.234 . 2.858 2.705 2.421 3.031 0.173 4 0 "[ . 1 . 2]" 1 22 1 7 LYS HA 1 7 LYS QB 2.232 . 2.855 2.312 2.154 2.439 . 0 0 "[ . 1 . 2]" 1 23 1 7 LYS HA 1 7 LYS QD 3.386 . 4.819 3.534 1.898 4.517 0.055 5 0 "[ . 1 . 2]" 1 24 1 7 LYS HA 1 7 LYS QG 2.621 . 3.480 2.855 2.308 3.366 . 0 0 "[ . 1 . 2]" 1 25 1 7 LYS HA 1 8 HIS HD2 5.278 . 8.760 6.180 4.182 6.963 . 0 0 "[ . 1 . 2]" 1 26 1 7 LYS HD2 1 7 LYS HE2 2.468 . 3.229 2.159 2.024 2.296 . 0 0 "[ . 1 . 2]" 1 27 1 7 LYS QD 1 7 LYS HE2 2.513 . 3.302 2.316 2.172 2.415 . 0 0 "[ . 1 . 2]" 1 28 1 7 LYS QE 1 7 LYS HG2 2.600 . 3.445 2.414 2.253 2.854 . 0 0 "[ . 1 . 2]" 1 29 1 8 HIS H 1 62 LEU H 3.601 . 5.222 5.002 4.220 5.371 0.149 14 0 "[ . 1 . 2]" 1 30 1 8 HIS HA 1 8 HIS HB2 1.857 . 2.288 2.135 2.036 2.332 0.044 4 0 "[ . 1 . 2]" 1 31 1 8 HIS HA 1 8 HIS HB3 1.784 . 2.182 2.183 2.013 2.351 0.169 7 0 "[ . 1 . 2]" 1 32 1 8 HIS HA 1 9 VAL H 2.127 . 2.692 2.442 2.195 2.750 0.058 18 0 "[ . 1 . 2]" 1 33 1 8 HIS HB3 1 9 VAL H 3.405 . 4.854 4.187 2.318 4.667 . 0 0 "[ . 1 . 2]" 1 34 1 8 HIS HD2 1 9 VAL HA 5.025 . 8.181 5.294 3.359 7.800 . 0 0 "[ . 1 . 2]" 1 35 1 8 HIS HD2 1 10 SER HB2 4.570 . 7.180 6.580 4.922 7.325 0.145 8 0 "[ . 1 . 2]" 1 36 1 8 HIS HD2 1 10 SER QB 4.338 . 6.691 5.941 4.404 6.839 0.148 12 0 "[ . 1 . 2]" 1 37 1 8 HIS HD2 1 12 VAL QG 2.914 . 3.976 3.404 2.098 4.075 0.099 3 0 "[ . 1 . 2]" 1 38 1 8 HIS HD2 1 56 ILE MG 3.276 . 4.618 4.468 3.798 4.783 0.165 4 0 "[ . 1 . 2]" 1 39 1 8 HIS HE1 1 9 VAL QG 4.337 . 6.688 5.578 3.702 6.689 0.001 1 0 "[ . 1 . 2]" 1 40 1 8 HIS HE1 1 10 SER QB 5.381 . 9.001 8.110 4.626 9.251 0.250 19 0 "[ . 1 . 2]" 1 41 1 9 VAL H 1 9 VAL HA 2.977 . 4.085 2.822 2.264 2.951 . 0 0 "[ . 1 . 2]" 1 42 1 9 VAL H 1 9 VAL HB 2.669 . 3.559 3.296 2.539 3.749 0.190 9 0 "[ . 1 . 2]" 1 43 1 9 VAL H 1 9 VAL MG1 2.560 . 3.379 2.975 1.908 4.137 0.758 10 3 "[ .* - + . 2]" 1 44 1 9 VAL H 1 12 VAL H 3.277 . 4.619 4.703 3.959 4.882 0.263 19 0 "[ . 1 . 2]" 1 45 1 9 VAL HA 1 9 VAL HB 2.364 . 3.062 2.650 2.434 3.034 . 0 0 "[ . 1 . 2]" 1 46 1 9 VAL HA 1 9 VAL MG2 2.017 . 2.525 2.627 2.280 3.218 0.693 17 6 "[ ** . -1 * +* 2]" 1 47 1 9 VAL HA 1 11 HIS HE1 5.932 . 10.331 6.179 5.043 7.449 . 0 0 "[ . 1 . 2]" 1 48 1 9 VAL HA 1 53 TYR QE 4.422 . 6.866 5.844 3.485 6.831 . 0 0 "[ . 1 . 2]" 1 49 1 9 VAL HB 1 9 VAL QG 1.861 . 2.294 1.895 1.892 1.900 . 0 0 "[ . 1 . 2]" 1 50 1 9 VAL QG 1 10 SER H 3.330 . 4.716 2.831 2.096 3.749 . 0 0 "[ . 1 . 2]" 1 51 1 9 VAL QG 1 11 HIS HE1 3.853 . 5.709 5.183 3.477 5.850 0.141 13 0 "[ . 1 . 2]" 1 52 1 9 VAL MG1 1 12 VAL H 4.709 . 7.481 3.443 2.301 4.360 . 0 0 "[ . 1 . 2]" 1 53 1 10 SER HB2 1 12 VAL MG1 2.832 . 3.835 4.008 3.541 4.747 0.912 20 2 "[- . 1 . +]" 1 54 1 10 SER QB 1 20 PHE QD 5.262 . 8.724 7.954 7.105 8.787 0.063 17 0 "[ . 1 . 2]" 1 55 1 10 SER QB 1 53 TYR QD 4.691 . 7.441 6.167 4.433 7.267 . 0 0 "[ . 1 . 2]" 1 56 1 11 HIS HA 1 11 HIS HB2 2.092 . 2.639 2.946 2.464 3.027 0.388 19 0 "[ . 1 . 2]" 1 57 1 11 HIS HA 1 11 HIS HB3 2.323 . 2.997 2.607 2.467 3.028 0.031 17 0 "[ . 1 . 2]" 1 58 1 11 HIS HA 1 12 VAL QG 3.280 . 4.625 3.483 3.017 4.042 . 0 0 "[ . 1 . 2]" 1 59 1 11 HIS HD2 1 12 VAL QG 2.790 . 3.763 3.710 3.369 3.904 0.141 17 0 "[ . 1 . 2]" 1 60 1 11 HIS HD2 1 13 GLY HA2 4.348 . 6.712 5.288 4.661 6.052 . 0 0 "[ . 1 . 2]" 1 61 1 11 HIS HD2 1 14 TRP HB2 5.347 . 8.921 6.038 5.535 6.571 . 0 0 "[ . 1 . 2]" 1 62 1 11 HIS HD2 1 14 TRP HE3 4.164 . 6.331 4.988 3.126 6.285 . 0 0 "[ . 1 . 2]" 1 63 1 11 HIS HD2 1 14 TRP HZ3 4.717 . 7.498 6.071 3.594 7.521 0.023 5 0 "[ . 1 . 2]" 1 64 1 11 HIS HD2 1 15 ASP HA 4.370 . 6.757 5.333 3.788 5.859 . 0 0 "[ . 1 . 2]" 1 65 1 11 HIS HE1 1 12 VAL QG 4.886 . 7.870 7.455 6.529 7.995 0.125 12 0 "[ . 1 . 2]" 1 66 1 12 VAL H 1 12 VAL HA 2.997 . 4.120 2.310 2.207 2.837 . 0 0 "[ . 1 . 2]" 1 67 1 12 VAL H 1 12 VAL HB 3.182 . 4.448 3.383 2.593 3.982 . 0 0 "[ . 1 . 2]" 1 68 1 12 VAL H 1 12 VAL QG 3.017 . 4.155 2.671 1.807 3.299 0.072 10 0 "[ . 1 . 2]" 1 69 1 12 VAL HA 1 12 VAL HB 2.269 . 2.912 2.792 2.372 3.012 0.100 17 0 "[ . 1 . 2]" 1 70 1 12 VAL HA 1 12 VAL QG 1.972 . 2.458 2.176 2.092 2.326 . 0 0 "[ . 1 . 2]" 1 71 1 12 VAL HA 1 53 TYR QE 4.294 . 6.599 5.238 4.755 6.027 . 0 0 "[ . 1 . 2]" 1 72 1 12 VAL HA 1 20 PHE QD 4.628 . 7.306 5.522 2.924 6.532 . 0 0 "[ . 1 . 2]" 1 73 1 12 VAL HA 1 20 PHE QE 4.473 . 6.974 5.301 4.728 5.929 . 0 0 "[ . 1 . 2]" 1 74 1 12 VAL HA 1 29 LEU QD 2.549 . 3.361 2.784 2.099 3.432 0.071 3 0 "[ . 1 . 2]" 1 75 1 12 VAL HB 1 12 VAL QG 1.906 . 2.360 1.891 1.884 1.897 . 0 0 "[ . 1 . 2]" 1 76 1 12 VAL HB 1 13 GLY H 3.963 . 5.926 3.245 1.851 4.215 0.149 17 0 "[ . 1 . 2]" 1 77 1 12 VAL HB 1 20 PHE QD 4.145 . 6.293 4.719 3.329 6.100 . 0 0 "[ . 1 . 2]" 1 78 1 12 VAL HB 1 20 PHE QE 3.399 . 4.843 3.788 2.667 4.885 0.042 19 0 "[ . 1 . 2]" 1 79 1 12 VAL HB 1 29 LEU QD 3.038 . 4.191 2.863 1.730 3.695 0.155 7 0 "[ . 1 . 2]" 1 80 1 12 VAL QG 1 13 GLY H 3.415 . 4.873 3.145 1.869 3.735 0.088 19 0 "[ . 1 . 2]" 1 81 1 12 VAL QG 1 14 TRP H 3.171 . 4.428 3.396 2.553 3.995 . 0 0 "[ . 1 . 2]" 1 82 1 12 VAL QG 1 14 TRP HD1 4.353 . 6.721 5.089 3.934 6.380 . 0 0 "[ . 1 . 2]" 1 83 1 12 VAL QG 1 20 PHE QD 3.144 . 4.380 3.018 2.584 3.929 . 0 0 "[ . 1 . 2]" 1 84 1 12 VAL QG 1 20 PHE QE 2.556 . 3.372 2.216 1.721 3.380 0.061 4 0 "[ . 1 . 2]" 1 85 1 12 VAL QG 1 29 LEU QD 2.685 . 3.586 2.122 1.637 2.797 0.147 7 0 "[ . 1 . 2]" 1 86 1 12 VAL QG 1 29 LEU QD 2.129 . 2.695 1.518 1.359 1.732 0.204 6 0 "[ . 1 . 2]" 1 87 1 12 VAL QG 1 33 PHE QD 3.769 . 5.545 5.016 4.780 5.201 . 0 0 "[ . 1 . 2]" 1 88 1 12 VAL QG 1 33 PHE QE 2.982 . 4.093 3.449 3.115 3.670 . 0 0 "[ . 1 . 2]" 1 89 1 12 VAL QG 1 33 PHE HZ 3.307 . 4.674 3.717 3.409 3.982 . 0 0 "[ . 1 . 2]" 1 90 1 12 VAL QG 1 53 TYR QD 2.572 . 3.399 2.560 1.966 3.317 . 0 0 "[ . 1 . 2]" 1 91 1 12 VAL QG 1 56 ILE MD 2.764 . 3.719 2.947 2.295 3.474 . 0 0 "[ . 1 . 2]" 1 92 1 12 VAL QG 1 57 GLU H 3.765 . 5.537 4.678 4.432 4.834 . 0 0 "[ . 1 . 2]" 1 93 1 12 VAL QG 1 56 ILE MG 2.576 . 3.405 3.335 2.849 3.507 0.102 19 0 "[ . 1 . 2]" 1 94 1 12 VAL QG 1 62 LEU H 3.897 . 5.795 4.763 4.155 5.543 . 0 0 "[ . 1 . 2]" 1 95 1 12 VAL QG 1 62 LEU HG 3.305 . 4.670 3.075 2.374 4.482 . 0 0 "[ . 1 . 2]" 1 96 1 13 GLY H 1 13 GLY HA3 2.487 . 3.260 2.851 2.732 2.954 . 0 0 "[ . 1 . 2]" 1 97 1 13 GLY H 1 14 TRP H 2.917 . 3.981 2.229 1.782 2.774 0.071 6 0 "[ . 1 . 2]" 1 98 1 13 GLY HA2 1 14 TRP H 2.372 . 3.075 2.930 2.721 3.134 0.059 3 0 "[ . 1 . 2]" 1 99 1 13 GLY HA2 1 14 TRP HD1 4.935 . 7.979 5.666 5.111 6.188 . 0 0 "[ . 1 . 2]" 1 100 1 13 GLY HA3 1 14 TRP H 2.858 . 3.879 3.460 3.354 3.510 . 0 0 "[ . 1 . 2]" 1 101 1 13 GLY HA3 1 20 PHE QD 4.400 . 6.820 4.408 3.569 5.528 . 0 0 "[ . 1 . 2]" 1 102 1 14 TRP H 1 14 TRP HB2 2.845 . 3.857 3.073 2.808 3.310 . 0 0 "[ . 1 . 2]" 1 103 1 14 TRP H 1 14 TRP HB3 2.846 . 3.859 2.456 2.273 2.582 . 0 0 "[ . 1 . 2]" 1 104 1 14 TRP H 1 14 TRP HE3 3.802 . 5.608 4.215 3.930 4.450 . 0 0 "[ . 1 . 2]" 1 105 1 14 TRP H 1 15 ASP H 3.948 . 5.897 4.416 4.277 4.503 . 0 0 "[ . 1 . 2]" 1 106 1 14 TRP H 1 21 ASP H 3.305 . 4.670 4.193 3.911 4.575 . 0 0 "[ . 1 . 2]" 1 107 1 14 TRP HA 1 14 TRP HB3 2.424 . 3.159 3.021 3.008 3.030 . 0 0 "[ . 1 . 2]" 1 108 1 14 TRP HA 1 14 TRP HD1 3.568 . 5.160 3.057 2.885 3.217 . 0 0 "[ . 1 . 2]" 1 109 1 14 TRP HA 1 14 TRP HE3 3.853 . 5.709 4.800 4.669 4.884 . 0 0 "[ . 1 . 2]" 1 110 1 14 TRP HA 1 15 ASP H 2.440 . 3.184 2.159 2.109 2.217 . 0 0 "[ . 1 . 2]" 1 111 1 14 TRP HA 1 20 PHE HA 2.241 . 2.869 2.126 1.753 2.586 . 0 0 "[ . 1 . 2]" 1 112 1 14 TRP HA 1 20 PHE QD 4.322 . 6.657 3.763 3.360 4.258 . 0 0 "[ . 1 . 2]" 1 113 1 14 TRP HA 1 20 PHE QE 5.122 . 8.402 4.847 4.482 5.110 . 0 0 "[ . 1 . 2]" 1 114 1 14 TRP HA 1 21 ASP H 2.848 . 3.862 3.270 2.566 3.935 0.073 5 0 "[ . 1 . 2]" 1 115 1 14 TRP HB2 1 14 TRP HD1 3.471 . 4.977 2.754 2.702 2.809 . 0 0 "[ . 1 . 2]" 1 116 1 14 TRP HB2 1 15 ASP H 3.632 . 5.281 4.067 3.916 4.166 . 0 0 "[ . 1 . 2]" 1 117 1 14 TRP HB2 1 20 PHE QD 3.842 . 5.687 2.974 2.321 3.882 . 0 0 "[ . 1 . 2]" 1 118 1 14 TRP HB2 1 20 PHE QE 3.905 . 5.811 2.993 2.593 3.694 . 0 0 "[ . 1 . 2]" 1 119 1 14 TRP HB3 1 14 TRP HD1 3.215 . 4.507 3.859 3.836 3.879 . 0 0 "[ . 1 . 2]" 1 120 1 14 TRP HD1 1 19 GLY HA2 3.056 . 4.223 2.770 2.316 3.329 . 0 0 "[ . 1 . 2]" 1 121 1 14 TRP HD1 1 20 PHE HB3 4.437 . 6.898 4.646 4.217 5.290 . 0 0 "[ . 1 . 2]" 1 122 1 14 TRP HD1 1 20 PHE QD 3.567 . 5.157 3.081 2.813 3.479 . 0 0 "[ . 1 . 2]" 1 123 1 14 TRP HD1 1 20 PHE QE 3.754 . 5.516 3.528 3.218 3.838 . 0 0 "[ . 1 . 2]" 1 124 1 14 TRP HD1 1 20 PHE HZ 5.103 . 8.358 4.419 3.894 4.727 . 0 0 "[ . 1 . 2]" 1 125 1 14 TRP HD1 1 22 VAL QG 5.651 . 9.643 5.110 4.768 5.386 . 0 0 "[ . 1 . 2]" 1 126 1 14 TRP HD1 1 25 LEU QD 6.437 . 11.617 5.248 4.777 5.782 . 0 0 "[ . 1 . 2]" 1 127 1 14 TRP HD1 1 43 LEU HB2 4.682 . 7.422 5.187 4.950 5.379 . 0 0 "[ . 1 . 2]" 1 128 1 14 TRP HD1 1 43 LEU QD 6.450 . 11.650 4.945 4.435 5.385 . 0 0 "[ . 1 . 2]" 1 129 1 14 TRP HD1 1 49 SER HB3 4.342 . 6.699 3.421 2.026 4.575 . 0 0 "[ . 1 . 2]" 1 130 1 14 TRP HD1 1 52 ILE MG 6.421 . 11.574 5.652 5.210 6.036 . 0 0 "[ . 1 . 2]" 1 131 1 14 TRP HD1 1 53 TYR HB2 4.366 . 6.749 4.154 3.504 4.887 . 0 0 "[ . 1 . 2]" 1 132 1 14 TRP HD1 1 53 TYR HB3 4.170 . 6.343 5.320 4.870 5.972 . 0 0 "[ . 1 . 2]" 1 133 1 14 TRP HD1 1 53 TYR QE 5.643 . 9.624 6.972 5.865 8.098 . 0 0 "[ . 1 . 2]" 1 134 1 14 TRP HE1 1 19 GLY H 4.040 . 6.081 4.204 3.695 4.983 . 0 0 "[ . 1 . 2]" 1 135 1 14 TRP HE1 1 19 GLY HA2 2.775 . 3.738 2.610 2.352 2.864 . 0 0 "[ . 1 . 2]" 1 136 1 14 TRP HE1 1 19 GLY HA3 2.984 . 4.097 4.252 3.757 4.668 0.571 16 2 "[ . 1 - .+ 2]" 1 137 1 14 TRP HE1 1 20 PHE QD 5.286 . 8.778 4.558 4.222 5.144 . 0 0 "[ . 1 . 2]" 1 138 1 14 TRP HE1 1 49 SER H 4.031 . 6.062 4.107 4.030 4.264 . 0 0 "[ . 1 . 2]" 1 139 1 14 TRP HE1 1 49 SER HB3 3.538 . 5.103 3.177 2.360 4.039 . 0 0 "[ . 1 . 2]" 1 140 1 14 TRP HE1 1 50 LYS H 3.698 . 5.407 3.180 2.718 3.806 . 0 0 "[ . 1 . 2]" 1 141 1 14 TRP HE1 1 50 LYS HA 3.275 . 4.615 2.852 2.310 3.291 . 0 0 "[ . 1 . 2]" 1 142 1 14 TRP HE1 1 50 LYS HB3 3.629 . 5.276 4.899 4.424 5.588 0.312 14 0 "[ . 1 . 2]" 1 143 1 14 TRP HE3 1 16 PRO HD3 3.124 . 4.344 3.488 3.138 3.780 . 0 0 "[ . 1 . 2]" 1 144 1 14 TRP HE3 1 15 ASP HA 3.184 . 4.451 4.324 3.911 4.542 0.091 1 0 "[ . 1 . 2]" 1 145 1 14 TRP HE3 1 20 PHE QD 4.067 . 6.135 5.070 4.280 5.575 . 0 0 "[ . 1 . 2]" 1 146 1 14 TRP HE3 1 43 LEU QD 4.700 . 7.462 5.957 5.595 6.238 . 0 0 "[ . 1 . 2]" 1 147 1 14 TRP HE3 1 50 LYS HG3 3.270 . 4.607 4.199 2.732 4.683 0.076 1 0 "[ . 1 . 2]" 1 148 1 14 TRP HH2 1 15 ASP HA 4.910 . 7.924 6.053 5.709 6.403 . 0 0 "[ . 1 . 2]" 1 149 1 14 TRP HH2 1 16 PRO HD2 4.798 . 7.676 5.913 5.353 6.211 . 0 0 "[ . 1 . 2]" 1 150 1 14 TRP HH2 1 50 LYS HA 3.555 . 5.135 3.991 3.545 4.782 . 0 0 "[ . 1 . 2]" 1 151 1 14 TRP HH2 1 50 LYS HD2 3.066 . 4.241 2.749 2.375 3.179 . 0 0 "[ . 1 . 2]" 1 152 1 14 TRP HH2 1 50 LYS HE3 3.280 . 4.624 3.964 2.773 5.071 0.447 19 0 "[ . 1 . 2]" 1 153 1 14 TRP HH2 1 50 LYS HG2 3.469 . 4.973 4.415 3.979 5.156 0.183 5 0 "[ . 1 . 2]" 1 154 1 14 TRP HZ2 1 15 ASP HA 4.077 . 6.155 5.368 5.154 5.600 . 0 0 "[ . 1 . 2]" 1 155 1 14 TRP HZ2 1 16 PRO HA 2.647 . 3.523 2.605 2.155 3.538 0.015 8 0 "[ . 1 . 2]" 1 156 1 14 TRP HZ2 1 50 LYS HA 2.679 . 3.576 2.238 1.712 3.049 0.070 16 0 "[ . 1 . 2]" 1 157 1 14 TRP HZ2 1 50 LYS HD2 2.691 . 3.596 2.307 1.751 2.553 0.035 16 0 "[ . 1 . 2]" 1 158 1 14 TRP HZ2 1 50 LYS HG2 3.121 . 4.339 3.836 3.225 4.256 . 0 0 "[ . 1 . 2]" 1 159 1 15 ASP H 1 15 ASP HB3 3.208 . 4.495 2.802 2.434 3.722 . 0 0 "[ . 1 . 2]" 1 160 1 15 ASP H 1 16 PRO HD2 5.286 . 8.778 4.805 4.637 5.196 . 0 0 "[ . 1 . 2]" 1 161 1 15 ASP H 1 16 PRO HD3 4.693 . 7.446 4.655 4.387 4.884 . 0 0 "[ . 1 . 2]" 1 162 1 15 ASP H 1 19 GLY H 2.914 . 3.976 3.255 2.896 3.664 . 0 0 "[ . 1 . 2]" 1 163 1 15 ASP H 1 19 GLY HA3 4.121 . 6.243 4.490 4.227 4.627 . 0 0 "[ . 1 . 2]" 1 164 1 15 ASP H 1 20 PHE HA 3.397 . 4.839 3.430 2.965 3.696 . 0 0 "[ . 1 . 2]" 1 165 1 15 ASP HA 1 15 ASP HB2 2.428 . 3.165 2.579 2.390 3.022 . 0 0 "[ . 1 . 2]" 1 166 1 15 ASP HA 1 15 ASP HB3 2.308 . 2.974 2.951 2.541 3.037 0.063 4 0 "[ . 1 . 2]" 1 167 1 15 ASP HA 1 16 PRO HD2 2.284 . 2.936 2.170 1.881 2.589 . 0 0 "[ . 1 . 2]" 1 168 1 15 ASP HA 1 16 PRO HD3 2.172 . 2.762 2.317 1.834 2.623 . 0 0 "[ . 1 . 2]" 1 169 1 15 ASP HA 1 16 PRO QG 2.925 . 3.994 3.840 3.717 4.001 0.007 19 0 "[ . 1 . 2]" 1 170 1 15 ASP HB2 1 19 GLY H 3.406 . 4.856 4.307 2.773 4.814 . 0 0 "[ . 1 . 2]" 1 171 1 15 ASP HB3 1 16 PRO HD2 2.670 . 3.561 3.705 2.130 4.194 0.633 5 3 "[ +- 1 * 2]" 1 172 1 15 ASP HB3 1 16 PRO HD3 3.559 . 5.142 4.743 3.653 5.144 0.002 1 0 "[ . 1 . 2]" 1 173 1 15 ASP HB3 1 17 GLN H 3.372 . 4.793 3.768 2.923 4.549 . 0 0 "[ . 1 . 2]" 1 174 1 15 ASP HB3 1 19 GLY H 3.078 . 4.263 2.811 1.798 3.963 0.095 6 0 "[ . 1 . 2]" 1 175 1 16 PRO HA 1 16 PRO QG 2.613 . 3.466 3.244 2.781 3.484 0.018 6 0 "[ . 1 . 2]" 1 176 1 16 PRO HA 1 17 GLN H 3.475 . 4.984 3.552 3.494 3.595 . 0 0 "[ . 1 . 2]" 1 177 1 16 PRO HA 1 18 ASN H 3.970 . 5.940 4.436 4.025 4.677 . 0 0 "[ . 1 . 2]" 1 178 1 16 PRO HD2 1 16 PRO QG 2.272 . 2.917 2.196 2.180 2.237 . 0 0 "[ . 1 . 2]" 1 179 1 16 PRO HD2 1 17 GLN H 3.386 . 4.819 3.385 2.921 4.041 . 0 0 "[ . 1 . 2]" 1 180 1 16 PRO HD3 1 16 PRO QG 2.297 . 2.956 2.224 2.174 2.255 . 0 0 "[ . 1 . 2]" 1 181 1 16 PRO HD3 1 17 GLN H 4.524 . 7.082 4.329 4.058 4.840 . 0 0 "[ . 1 . 2]" 1 182 1 17 GLN H 1 17 GLN HA 2.802 . 3.783 2.939 2.921 2.947 . 0 0 "[ . 1 . 2]" 1 183 1 17 GLN H 1 17 GLN QB 2.427 . 3.163 2.462 2.277 2.589 . 0 0 "[ . 1 . 2]" 1 184 1 17 GLN H 1 17 GLN QG 2.947 . 4.033 3.208 2.360 4.102 0.069 18 0 "[ . 1 . 2]" 1 185 1 17 GLN H 1 18 ASN H 2.350 . 3.040 2.183 2.076 2.307 . 0 0 "[ . 1 . 2]" 1 186 1 17 GLN H 1 18 ASN HA 4.321 . 6.655 4.846 4.727 4.977 . 0 0 "[ . 1 . 2]" 1 187 1 17 GLN HA 1 17 GLN QB 1.807 . 2.215 2.334 2.299 2.380 0.165 18 0 "[ . 1 . 2]" 1 188 1 17 GLN HA 1 17 GLN QG 2.234 . 2.858 2.566 2.296 2.987 0.129 19 0 "[ . 1 . 2]" 1 189 1 17 GLN HA 1 18 ASN H 3.188 . 4.458 3.487 3.270 3.593 . 0 0 "[ . 1 . 2]" 1 190 1 17 GLN HA 1 46 ALA MB 2.430 . 3.168 3.198 2.946 3.295 0.127 6 0 "[ . 1 . 2]" 1 191 1 17 GLN QB 1 18 ASN H 2.724 . 3.652 2.791 2.428 3.449 . 0 0 "[ . 1 . 2]" 1 192 1 17 GLN QB 1 18 ASN HD21 4.167 . 6.338 4.555 2.763 6.459 0.121 3 0 "[ . 1 . 2]" 1 193 1 17 GLN QB 1 19 GLY H 3.907 . 5.815 4.708 4.364 5.334 . 0 0 "[ . 1 . 2]" 1 194 1 17 GLN HE21 1 46 ALA MB 4.402 . 6.824 4.666 2.238 5.448 . 0 0 "[ . 1 . 2]" 1 195 1 17 GLN QG 1 18 ASN HD21 5.486 . 9.248 5.768 3.910 7.807 . 0 0 "[ . 1 . 2]" 1 196 1 18 ASN H 1 18 ASN HB2 2.770 . 3.729 2.531 2.316 3.698 . 0 0 "[ . 1 . 2]" 1 197 1 18 ASN H 1 18 ASN HB3 3.060 . 4.231 3.372 2.399 3.706 . 0 0 "[ . 1 . 2]" 1 198 1 18 ASN H 1 18 ASN HD21 4.442 . 6.909 3.676 2.229 4.916 . 0 0 "[ . 1 . 2]" 1 199 1 18 ASN H 1 18 ASN HD22 4.250 . 6.508 4.622 3.673 5.828 . 0 0 "[ . 1 . 2]" 1 200 1 18 ASN H 1 19 GLY H 2.479 . 3.247 2.390 1.985 2.953 . 0 0 "[ . 1 . 2]" 1 201 1 18 ASN HA 1 18 ASN HB2 2.354 . 3.047 2.872 2.411 3.021 . 0 0 "[ . 1 . 2]" 1 202 1 18 ASN HA 1 18 ASN HB3 1.975 . 2.463 2.617 2.461 3.026 0.563 9 4 "[ * . -+* . 2]" 1 203 1 18 ASN HA 1 19 GLY H 2.991 . 4.109 3.409 3.168 3.533 . 0 0 "[ . 1 . 2]" 1 204 1 18 ASN HB2 1 18 ASN HD21 3.214 . 4.505 2.753 2.211 3.509 . 0 0 "[ . 1 . 2]" 1 205 1 18 ASN HB3 1 18 ASN HD22 3.070 . 4.248 3.827 3.457 4.076 . 0 0 "[ . 1 . 2]" 1 206 1 19 GLY H 1 19 GLY HA2 2.623 . 3.483 2.357 2.295 2.714 . 0 0 "[ . 1 . 2]" 1 207 1 19 GLY H 1 19 GLY HA3 2.455 . 3.208 2.900 2.848 2.944 . 0 0 "[ . 1 . 2]" 1 208 1 19 GLY H 1 20 PHE H 3.208 . 4.495 4.535 4.274 4.587 0.092 2 0 "[ . 1 . 2]" 1 209 1 19 GLY H 1 46 ALA MB 3.437 . 4.914 4.304 4.073 4.567 . 0 0 "[ . 1 . 2]" 1 210 1 19 GLY HA2 1 20 PHE H 2.565 . 3.387 2.818 2.684 3.134 . 0 0 "[ . 1 . 2]" 1 211 1 19 GLY HA3 1 20 PHE H 2.879 . 3.915 2.298 2.104 2.387 . 0 0 "[ . 1 . 2]" 1 212 1 19 GLY HA3 1 20 PHE QD 5.467 . 9.204 4.255 3.543 4.836 . 0 0 "[ . 1 . 2]" 1 213 1 20 PHE H 1 20 PHE HB2 2.514 . 3.304 2.378 2.270 2.451 . 0 0 "[ . 1 . 2]" 1 214 1 20 PHE H 1 20 PHE QD 3.208 . 4.495 2.473 2.104 2.861 . 0 0 "[ . 1 . 2]" 1 215 1 20 PHE H 1 21 ASP H 4.042 . 6.084 4.546 4.467 4.614 . 0 0 "[ . 1 . 2]" 1 216 1 20 PHE H 1 44 THR MG 3.209 . 4.496 3.788 2.896 4.464 . 0 0 "[ . 1 . 2]" 1 217 1 20 PHE H 1 49 SER HB3 3.921 . 5.843 3.106 2.412 4.339 . 0 0 "[ . 1 . 2]" 1 218 1 20 PHE HA 1 20 PHE QB 2.389 . 3.102 2.414 2.387 2.459 . 0 0 "[ . 1 . 2]" 1 219 1 20 PHE HA 1 20 PHE HB3 2.478 . 3.246 2.539 2.499 2.609 . 0 0 "[ . 1 . 2]" 1 220 1 20 PHE HA 1 20 PHE QD 2.876 . 3.910 2.925 2.714 3.131 . 0 0 "[ . 1 . 2]" 1 221 1 20 PHE HA 1 21 ASP H 2.207 . 2.816 2.193 2.143 2.297 . 0 0 "[ . 1 . 2]" 1 222 1 20 PHE HB2 1 43 LEU H 4.316 . 6.644 5.061 4.599 5.783 . 0 0 "[ . 1 . 2]" 1 223 1 20 PHE HB3 1 21 ASP H 2.405 . 3.128 2.400 2.160 2.644 . 0 0 "[ . 1 . 2]" 1 224 1 20 PHE QD 1 22 VAL HA 4.313 . 6.639 5.284 5.107 5.474 . 0 0 "[ . 1 . 2]" 1 225 1 20 PHE QD 1 25 LEU HA 4.702 . 7.466 4.989 4.390 5.468 . 0 0 "[ . 1 . 2]" 1 226 1 20 PHE QD 1 25 LEU QD 2.705 . 3.620 2.987 2.556 3.294 . 0 0 "[ . 1 . 2]" 1 227 1 20 PHE QD 1 29 LEU QD 2.660 . 3.544 3.415 2.738 3.587 0.043 17 0 "[ . 1 . 2]" 1 228 1 20 PHE QD 1 30 ARG HA 5.621 . 9.570 5.934 5.654 6.219 . 0 0 "[ . 1 . 2]" 1 229 1 20 PHE QD 1 33 PHE QD 4.766 . 7.605 4.808 4.405 5.119 . 0 0 "[ . 1 . 2]" 1 230 1 20 PHE QD 1 33 PHE QE 3.714 . 5.438 3.572 3.090 4.106 . 0 0 "[ . 1 . 2]" 1 231 1 20 PHE QD 1 33 PHE HZ 4.222 . 6.450 4.508 4.178 4.881 . 0 0 "[ . 1 . 2]" 1 232 1 20 PHE QD 1 38 ILE MG 2.969 . 4.071 2.395 1.745 2.941 0.122 9 0 "[ . 1 . 2]" 1 233 1 20 PHE QD 1 40 GLU HA 4.015 . 6.030 5.605 5.286 5.809 . 0 0 "[ . 1 . 2]" 1 234 1 20 PHE QD 1 43 LEU HA 2.734 . 3.668 3.083 2.575 3.695 0.027 11 0 "[ . 1 . 2]" 1 235 1 20 PHE QD 1 43 LEU HB2 2.894 . 3.941 3.767 3.532 3.989 0.048 2 0 "[ . 1 . 2]" 1 236 1 20 PHE QD 1 43 LEU HB3 2.888 . 3.930 3.366 2.657 4.104 0.174 2 0 "[ . 1 . 2]" 1 237 1 20 PHE QD 1 43 LEU QD 2.689 . 3.593 2.404 1.746 2.960 0.039 9 0 "[ . 1 . 2]" 1 238 1 20 PHE QD 1 49 SER H 4.709 . 7.481 4.321 4.089 4.587 . 0 0 "[ . 1 . 2]" 1 239 1 20 PHE QD 1 49 SER HA 2.800 . 3.780 3.070 2.399 3.466 . 0 0 "[ . 1 . 2]" 1 240 1 20 PHE QD 1 49 SER HB3 3.740 . 5.489 2.997 2.133 4.698 . 0 0 "[ . 1 . 2]" 1 241 1 20 PHE QD 1 52 ILE MD 3.546 . 5.117 3.247 2.798 3.690 . 0 0 "[ . 1 . 2]" 1 242 1 20 PHE QD 1 52 ILE HG12 3.747 . 5.502 5.215 5.042 5.382 . 0 0 "[ . 1 . 2]" 1 243 1 20 PHE QD 1 52 ILE MG 3.288 . 4.639 3.997 3.845 4.315 . 0 0 "[ . 1 . 2]" 1 244 1 20 PHE QD 1 53 TYR QE 5.158 . 8.484 6.587 5.260 7.665 . 0 0 "[ . 1 . 2]" 1 245 1 20 PHE QD 2 11 LEU QD 4.138 . 6.278 5.815 5.605 5.916 . 0 0 "[ . 1 . 2]" 1 246 1 20 PHE QE 1 29 LEU QD 2.785 . 3.755 3.159 2.776 3.586 . 0 0 "[ . 1 . 2]" 1 247 1 20 PHE QE 1 29 LEU QD 3.153 . 4.395 3.123 2.762 3.527 . 0 0 "[ . 1 . 2]" 1 248 1 20 PHE QE 1 33 PHE QD 4.403 . 6.827 5.187 4.896 5.511 . 0 0 "[ . 1 . 2]" 1 249 1 20 PHE QE 1 33 PHE QE 3.450 . 4.938 3.767 3.219 4.241 . 0 0 "[ . 1 . 2]" 1 250 1 20 PHE QE 1 33 PHE HZ 3.380 . 4.808 3.508 2.975 4.095 . 0 0 "[ . 1 . 2]" 1 251 1 20 PHE QE 1 38 ILE MG 3.119 . 4.335 3.212 2.864 3.498 . 0 0 "[ . 1 . 2]" 1 252 1 20 PHE QE 1 43 LEU HA 3.479 . 4.992 4.591 4.126 4.978 . 0 0 "[ . 1 . 2]" 1 253 1 20 PHE QE 1 43 LEU QD 3.150 . 4.391 3.288 2.900 3.617 . 0 0 "[ . 1 . 2]" 1 254 1 20 PHE QE 1 49 SER HA 2.718 . 3.641 2.463 1.870 2.920 . 0 0 "[ . 1 . 2]" 1 255 1 20 PHE QE 1 50 LYS HA 4.763 . 7.598 5.051 4.554 5.529 . 0 0 "[ . 1 . 2]" 1 256 1 20 PHE QE 1 52 ILE MD 2.892 . 3.937 2.729 2.341 3.177 . 0 0 "[ . 1 . 2]" 1 257 1 20 PHE QE 1 52 ILE HG12 3.313 . 4.685 4.191 4.043 4.439 . 0 0 "[ . 1 . 2]" 1 258 1 20 PHE QE 1 52 ILE MG 2.424 . 3.158 2.659 2.370 2.996 . 0 0 "[ . 1 . 2]" 1 259 1 20 PHE QE 1 53 TYR H 3.619 . 5.256 3.139 2.779 3.657 . 0 0 "[ . 1 . 2]" 1 260 1 20 PHE QE 1 53 TYR HA 3.369 . 4.788 3.867 3.483 4.221 . 0 0 "[ . 1 . 2]" 1 261 1 20 PHE QE 1 53 TYR HB2 3.419 . 4.880 3.466 3.142 3.929 . 0 0 "[ . 1 . 2]" 1 262 1 20 PHE QE 1 53 TYR QD 3.313 . 4.685 3.371 2.346 4.290 . 0 0 "[ . 1 . 2]" 1 263 1 20 PHE QE 1 55 PHE QD 6.064 . 10.660 6.346 6.090 6.558 . 0 0 "[ . 1 . 2]" 1 264 1 20 PHE QE 1 56 ILE MD 2.781 . 3.748 3.008 2.568 3.467 . 0 0 "[ . 1 . 2]" 1 265 1 20 PHE QE 2 11 LEU QD 4.547 . 7.132 4.926 4.694 5.054 . 0 0 "[ . 1 . 2]" 1 266 1 20 PHE HZ 1 29 LEU QD 3.998 . 5.996 4.293 3.658 4.791 . 0 0 "[ . 1 . 2]" 1 267 1 20 PHE HZ 1 33 PHE QE 3.271 . 4.609 4.316 4.084 4.650 0.041 11 0 "[ . 1 . 2]" 1 268 1 20 PHE HZ 1 33 PHE HZ 3.196 . 4.473 3.642 3.255 4.104 . 0 0 "[ . 1 . 2]" 1 269 1 20 PHE HZ 1 43 LEU QD 4.729 . 7.524 4.567 4.170 4.919 . 0 0 "[ . 1 . 2]" 1 270 1 20 PHE HZ 1 49 SER HA 4.195 . 6.395 3.493 2.367 4.955 . 0 0 "[ . 1 . 2]" 1 271 1 20 PHE HZ 1 52 ILE MD 3.691 . 5.394 4.434 3.955 4.939 . 0 0 "[ . 1 . 2]" 1 272 1 20 PHE HZ 1 52 ILE MG 2.480 . 3.249 2.542 2.124 3.289 0.040 3 0 "[ . 1 . 2]" 1 273 1 20 PHE HZ 1 53 TYR H 4.042 . 6.084 3.204 2.915 3.595 . 0 0 "[ . 1 . 2]" 1 274 1 20 PHE HZ 1 53 TYR HA 2.728 . 3.658 2.645 2.092 3.063 . 0 0 "[ . 1 . 2]" 1 275 1 20 PHE HZ 1 53 TYR QD 3.075 . 4.257 3.315 2.514 4.100 . 0 0 "[ . 1 . 2]" 1 276 1 20 PHE HZ 1 56 ILE MD 2.684 . 3.585 2.532 2.233 2.893 . 0 0 "[ . 1 . 2]" 1 277 1 20 PHE HZ 2 11 LEU QD 5.099 . 8.349 5.139 4.729 5.383 . 0 0 "[ . 1 . 2]" 1 278 1 21 ASP H 1 21 ASP HB3 2.512 . 3.301 2.754 2.438 3.594 0.293 20 0 "[ . 1 . 2]" 1 279 1 21 ASP H 1 25 LEU QD 3.531 . 5.089 3.962 3.720 4.515 . 0 0 "[ . 1 . 2]" 1 280 1 21 ASP HA 1 21 ASP HB2 2.467 . 3.228 2.592 2.417 3.018 . 0 0 "[ . 1 . 2]" 1 281 1 21 ASP HA 1 22 VAL H 2.121 . 2.683 2.172 2.101 2.286 . 0 0 "[ . 1 . 2]" 1 282 1 21 ASP HB3 1 22 VAL H 3.516 . 5.061 4.271 3.870 4.400 . 0 0 "[ . 1 . 2]" 1 283 1 21 ASP HB3 1 24 ASN H 3.172 . 4.429 3.105 2.518 3.507 . 0 0 "[ . 1 . 2]" 1 284 1 22 VAL H 1 22 VAL HA 2.930 . 4.003 2.827 2.770 2.909 . 0 0 "[ . 1 . 2]" 1 285 1 22 VAL H 1 22 VAL HB 2.751 . 3.697 3.342 2.500 3.668 . 0 0 "[ . 1 . 2]" 1 286 1 22 VAL H 1 22 VAL QG 2.303 . 2.966 1.869 1.772 2.052 . 0 0 "[ . 1 . 2]" 1 287 1 22 VAL H 1 23 ASN H 2.378 . 3.085 2.669 2.402 2.866 . 0 0 "[ . 1 . 2]" 1 288 1 22 VAL H 1 24 ASN H 3.921 . 5.843 4.259 3.900 4.627 . 0 0 "[ . 1 . 2]" 1 289 1 22 VAL H 1 44 THR MG 3.921 . 5.843 3.373 3.067 3.808 . 0 0 "[ . 1 . 2]" 1 290 1 22 VAL HA 1 22 VAL HB 1.953 . 2.430 2.478 2.409 2.543 0.113 3 0 "[ . 1 . 2]" 1 291 1 22 VAL HA 1 22 VAL QG 2.150 . 2.728 2.254 2.186 2.398 . 0 0 "[ . 1 . 2]" 1 292 1 22 VAL HA 1 23 ASN H 3.082 . 4.269 3.407 3.287 3.506 . 0 0 "[ . 1 . 2]" 1 293 1 22 VAL HA 1 24 ASN H 3.846 . 5.695 4.085 3.536 4.533 . 0 0 "[ . 1 . 2]" 1 294 1 22 VAL HA 1 25 LEU H 3.196 . 4.473 3.627 3.400 3.902 . 0 0 "[ . 1 . 2]" 1 295 1 22 VAL HA 1 25 LEU HB2 2.465 . 3.225 3.124 2.151 3.332 0.107 5 0 "[ . 1 . 2]" 1 296 1 22 VAL HA 1 25 LEU HB3 3.171 . 4.428 3.891 1.635 4.351 0.279 20 0 "[ . 1 . 2]" 1 297 1 22 VAL HA 1 25 LEU QD 2.436 . 3.169 2.015 1.792 2.214 . 0 0 "[ . 1 . 2]" 1 298 1 22 VAL HA 1 25 LEU HG 2.505 . 3.289 1.964 1.635 3.576 0.287 16 0 "[ . 1 . 2]" 1 299 1 22 VAL HA 1 26 ASP H 4.009 . 6.019 4.483 4.303 4.686 . 0 0 "[ . 1 . 2]" 1 300 1 22 VAL HA 1 33 PHE QE 3.696 . 5.403 4.759 4.206 5.043 . 0 0 "[ . 1 . 2]" 1 301 1 22 VAL HB 1 22 VAL QG 1.826 . 2.243 1.896 1.889 1.901 . 0 0 "[ . 1 . 2]" 1 302 1 22 VAL HB 1 22 VAL QG 1.805 . 2.212 1.685 1.681 1.688 . 0 0 "[ . 1 . 2]" 1 303 1 22 VAL HB 1 23 ASN H 3.020 . 4.160 4.107 3.896 4.203 0.043 10 0 "[ . 1 . 2]" 1 304 1 22 VAL QG 1 23 ASN H 2.759 . 3.710 2.634 2.365 2.899 . 0 0 "[ . 1 . 2]" 1 305 1 22 VAL QG 1 24 ASN H 3.619 . 5.256 3.908 3.633 4.193 . 0 0 "[ . 1 . 2]" 1 306 1 22 VAL QG 1 43 LEU H 3.817 . 5.638 4.205 3.738 4.818 . 0 0 "[ . 1 . 2]" 1 307 1 22 VAL QG 1 44 THR H 4.480 . 6.989 4.242 3.705 5.020 . 0 0 "[ . 1 . 2]" 1 308 1 22 VAL QG 1 40 GLU HA 3.271 . 3.843 2.615 1.811 3.358 0.122 15 0 "[ . 1 . 2]" 1 309 1 22 VAL QG 1 40 GLU QB 2.728 . 3.659 2.726 1.801 3.557 . 0 0 "[ . 1 . 2]" 1 310 1 22 VAL QG 1 40 GLU HG2 3.051 . 4.215 2.676 1.807 3.688 0.080 8 0 "[ . 1 . 2]" 1 311 1 22 VAL QG 1 40 GLU HG3 2.890 . 3.934 2.711 1.740 3.958 0.112 3 0 "[ . 1 . 2]" 1 312 1 22 VAL QG 1 43 LEU HB2 3.204 . 4.487 3.072 2.196 4.223 . 0 0 "[ . 1 . 2]" 1 313 1 22 VAL QG 1 43 LEU QD 2.351 . 3.042 2.358 1.744 3.005 . 0 0 "[ . 1 . 2]" 1 314 1 22 VAL QG 1 44 THR MG 2.171 . 2.760 2.350 1.936 2.798 0.038 10 0 "[ . 1 . 2]" 1 315 1 23 ASN H 1 23 ASN HA 2.578 . 3.409 2.897 2.843 2.928 . 0 0 "[ . 1 . 2]" 1 316 1 23 ASN H 1 23 ASN QB 2.371 . 3.074 2.474 2.138 2.880 . 0 0 "[ . 1 . 2]" 1 317 1 23 ASN H 1 23 ASN QD 4.635 . 4.782 3.700 2.127 4.331 . 0 0 "[ . 1 . 2]" 1 318 1 23 ASN H 1 24 ASN H 2.494 . 3.271 2.352 2.159 2.552 . 0 0 "[ . 1 . 2]" 1 319 1 23 ASN H 1 24 ASN HA 5.356 . 8.941 5.033 4.863 5.207 . 0 0 "[ . 1 . 2]" 1 320 1 23 ASN H 1 25 LEU H 4.067 . 6.135 4.007 3.683 4.431 . 0 0 "[ . 1 . 2]" 1 321 1 23 ASN HA 1 23 ASN QB 2.020 . 2.530 2.263 2.165 2.354 . 0 0 "[ . 1 . 2]" 1 322 1 23 ASN HA 1 23 ASN QD 5.062 . 8.265 3.285 2.201 3.839 . 0 0 "[ . 1 . 2]" 1 323 1 23 ASN HA 1 24 ASN H 3.156 . 4.401 3.450 3.207 3.562 . 0 0 "[ . 1 . 2]" 1 324 1 23 ASN HA 1 25 LEU H 3.677 . 5.367 3.864 3.424 4.141 . 0 0 "[ . 1 . 2]" 1 325 1 23 ASN QB 1 23 ASN QD 2.935 . 4.012 2.152 2.120 2.188 . 0 0 "[ . 1 . 2]" 1 326 1 23 ASN QB 1 24 ASN H 3.112 . 4.323 3.123 2.469 3.917 . 0 0 "[ . 1 . 2]" 1 327 1 23 ASN QD 1 24 ASN HD21 3.269 . 4.605 3.009 1.848 3.861 0.085 11 0 "[ . 1 . 2]" 1 328 1 23 ASN QD 1 24 ASN HD22 2.870 . 3.899 2.800 1.869 4.386 0.487 7 0 "[ . 1 . 2]" 1 329 1 24 ASN H 1 24 ASN HA 2.917 . 3.981 2.944 2.928 2.954 . 0 0 "[ . 1 . 2]" 1 330 1 24 ASN H 1 24 ASN HB2 2.594 . 3.435 2.681 2.367 3.765 0.330 11 0 "[ . 1 . 2]" 1 331 1 24 ASN H 1 24 ASN HB3 2.754 . 3.702 3.605 3.128 3.747 0.045 8 0 "[ . 1 . 2]" 1 332 1 24 ASN H 1 24 ASN HD21 4.289 . 6.588 3.460 2.291 4.827 . 0 0 "[ . 1 . 2]" 1 333 1 24 ASN H 1 24 ASN HD22 4.607 . 7.260 4.437 3.208 5.241 . 0 0 "[ . 1 . 2]" 1 334 1 24 ASN H 1 25 LEU H 2.453 . 3.205 2.619 2.201 3.117 . 0 0 "[ . 1 . 2]" 1 335 1 24 ASN H 1 25 LEU HA 4.855 . 7.802 4.455 4.152 4.794 . 0 0 "[ . 1 . 2]" 1 336 1 24 ASN H 1 25 LEU HB2 3.462 . 4.960 4.521 3.962 4.974 0.014 3 0 "[ . 1 . 2]" 1 337 1 24 ASN H 1 25 LEU HG 3.933 . 5.866 4.282 3.477 5.962 0.096 1 0 "[ . 1 . 2]" 1 338 1 24 ASN H 1 44 THR MG 4.447 . 6.919 6.816 6.385 7.026 0.107 5 0 "[ . 1 . 2]" 1 339 1 24 ASN HA 1 24 ASN HB2 2.373 . 3.077 2.940 2.480 3.032 . 0 0 "[ . 1 . 2]" 1 340 1 24 ASN HA 1 24 ASN HB3 2.152 . 2.731 2.532 2.373 2.598 . 0 0 "[ . 1 . 2]" 1 341 1 24 ASN HA 1 25 LEU H 2.856 . 3.876 2.908 2.607 3.113 . 0 0 "[ . 1 . 2]" 1 342 1 24 ASN HB2 1 24 ASN HD21 3.041 . 4.197 2.792 2.196 3.510 . 0 0 "[ . 1 . 2]" 1 343 1 24 ASN HB2 1 25 LEU H 3.341 . 4.736 4.143 3.851 4.442 . 0 0 "[ . 1 . 2]" 1 344 1 24 ASN HB2 1 25 LEU H 3.379 . 4.806 3.899 3.566 4.201 . 0 0 "[ . 1 . 2]" 1 345 1 24 ASN HB3 1 24 ASN HD21 3.211 . 4.500 2.981 2.135 3.506 . 0 0 "[ . 1 . 2]" 1 346 1 24 ASN HB3 1 25 LEU H 3.665 . 5.344 4.402 4.288 4.644 . 0 0 "[ . 1 . 2]" 1 347 1 25 LEU H 1 25 LEU HA 2.925 . 3.995 2.845 2.816 2.915 . 0 0 "[ . 1 . 2]" 1 348 1 25 LEU H 1 25 LEU HB2 2.503 . 3.286 2.372 2.081 3.341 0.055 16 0 "[ . 1 . 2]" 1 349 1 25 LEU H 1 25 LEU QD 2.921 . 3.988 3.418 3.306 3.648 . 0 0 "[ . 1 . 2]" 1 350 1 25 LEU H 1 25 LEU HG 2.529 . 3.328 3.033 2.724 3.700 0.372 1 0 "[ . 1 . 2]" 1 351 1 25 LEU H 1 26 ASP H 4.436 . 6.896 4.502 4.364 4.599 . 0 0 "[ . 1 . 2]" 1 352 1 25 LEU HA 1 25 LEU HB2 2.403 . 3.125 2.866 2.225 3.003 . 0 0 "[ . 1 . 2]" 1 353 1 25 LEU HA 1 25 LEU HB3 2.379 . 3.086 2.688 2.596 2.935 . 0 0 "[ . 1 . 2]" 1 354 1 25 LEU HA 1 25 LEU QD 2.106 . 2.661 1.999 1.801 2.725 0.064 16 0 "[ . 1 . 2]" 1 355 1 25 LEU HA 1 26 ASP H 2.361 . 3.058 2.135 2.104 2.217 . 0 0 "[ . 1 . 2]" 1 356 1 25 LEU HB2 1 25 LEU QD 2.413 . 2.867 2.222 2.071 2.284 . 0 0 "[ . 1 . 2]" 1 357 1 25 LEU HB2 1 25 LEU HG 2.553 . 3.368 2.540 2.440 2.966 . 0 0 "[ . 1 . 2]" 1 358 1 25 LEU HB3 1 25 LEU QD 2.122 . 2.685 2.129 2.098 2.239 . 0 0 "[ . 1 . 2]" 1 359 1 25 LEU HB3 1 25 LEU HG 2.868 . 3.896 2.941 2.466 3.021 . 0 0 "[ . 1 . 2]" 1 360 1 25 LEU HB3 1 26 ASP H 3.090 . 4.284 3.465 2.858 4.462 0.178 1 0 "[ . 1 . 2]" 1 361 1 25 LEU QD 1 30 ARG H 2.862 . 3.886 3.049 2.572 3.287 . 0 0 "[ . 1 . 2]" 1 362 1 25 LEU QD 1 31 SER H 3.750 . 5.507 4.694 4.242 4.982 . 0 0 "[ . 1 . 2]" 1 363 1 25 LEU QD 1 30 ARG HA 2.324 . 2.999 2.669 2.049 3.054 0.055 12 0 "[ . 1 . 2]" 1 364 1 25 LEU QD 1 33 PHE QD 2.205 . 2.813 2.610 2.445 2.695 . 0 0 "[ . 1 . 2]" 1 365 1 25 LEU QD 1 33 PHE QE 2.210 . 2.821 2.208 1.995 2.377 . 0 0 "[ . 1 . 2]" 1 366 1 25 LEU QD 1 43 LEU QD 3.405 . 4.855 1.824 1.588 2.241 0.392 13 0 "[ . 1 . 2]" 1 367 1 25 LEU HG 1 26 ASP H 3.609 . 5.237 4.578 3.470 4.935 . 0 0 "[ . 1 . 2]" 1 368 1 26 ASP H 1 26 ASP HB2 2.692 . 3.598 2.517 2.105 2.743 . 0 0 "[ . 1 . 2]" 1 369 1 26 ASP H 1 26 ASP HB3 2.780 . 3.746 2.577 2.339 3.530 . 0 0 "[ . 1 . 2]" 1 370 1 26 ASP H 1 27 PRO HD2 3.942 . 5.884 5.077 4.962 5.136 . 0 0 "[ . 1 . 2]" 1 371 1 26 ASP H 1 29 LEU HB2 3.159 . 4.406 3.180 2.604 3.652 . 0 0 "[ . 1 . 2]" 1 372 1 26 ASP H 1 29 LEU QD 2.774 . 3.736 2.615 2.190 3.117 . 0 0 "[ . 1 . 2]" 1 373 1 26 ASP HA 1 26 ASP HB2 2.353 . 3.045 2.499 2.376 2.989 . 0 0 "[ . 1 . 2]" 1 374 1 26 ASP HA 1 26 ASP HB3 2.643 . 3.516 2.997 2.639 3.036 . 0 0 "[ . 1 . 2]" 1 375 1 26 ASP HA 1 27 PRO HD2 1.961 . 2.442 2.470 2.448 2.498 0.056 4 0 "[ . 1 . 2]" 1 376 1 26 ASP HA 1 27 PRO HD3 2.119 . 2.680 1.944 1.826 2.156 . 0 0 "[ . 1 . 2]" 1 377 1 26 ASP HB2 1 29 LEU H 3.689 . 5.390 4.303 3.498 4.513 . 0 0 "[ . 1 . 2]" 1 378 1 26 ASP HB2 1 29 LEU QD 2.642 . 3.515 2.733 2.050 3.049 . 0 0 "[ . 1 . 2]" 1 379 1 26 ASP HB3 1 28 ASP H 2.344 . 3.031 2.586 2.181 2.806 . 0 0 "[ . 1 . 2]" 1 380 1 26 ASP HB3 1 29 LEU QD 2.610 . 3.461 2.112 1.693 3.478 0.066 3 0 "[ . 1 . 2]" 1 381 1 27 PRO HA 1 30 ARG H 3.217 . 4.510 3.677 3.321 3.884 . 0 0 "[ . 1 . 2]" 1 382 1 27 PRO HA 1 30 ARG HB2 2.633 . 3.499 3.264 2.274 3.570 0.071 4 0 "[ . 1 . 2]" 1 383 1 27 PRO HA 1 30 ARG HB3 2.340 . 3.024 2.735 2.325 3.591 0.567 10 1 "[ . + . 2]" 1 384 1 27 PRO HD2 1 28 ASP H 2.668 . 3.557 3.068 2.832 3.311 . 0 0 "[ . 1 . 2]" 1 385 1 27 PRO HD3 1 28 ASP H 2.649 . 3.526 3.283 2.893 3.517 . 0 0 "[ . 1 . 2]" 1 386 1 27 PRO HD3 1 29 LEU H 4.195 . 6.395 4.870 4.753 5.000 . 0 0 "[ . 1 . 2]" 1 387 1 28 ASP H 1 28 ASP HA 2.742 . 3.682 2.874 2.819 2.913 . 0 0 "[ . 1 . 2]" 1 388 1 28 ASP H 1 28 ASP HB3 2.511 . 3.299 3.336 2.448 3.644 0.345 9 0 "[ . 1 . 2]" 1 389 1 28 ASP H 1 29 LEU H 2.514 . 3.304 2.546 2.375 2.789 . 0 0 "[ . 1 . 2]" 1 390 1 28 ASP H 1 29 LEU QD 3.041 . 4.197 3.644 3.272 4.009 . 0 0 "[ . 1 . 2]" 1 391 1 28 ASP H 1 29 LEU HG 2.909 . 3.967 3.921 3.673 4.188 0.221 13 0 "[ . 1 . 2]" 1 392 1 28 ASP H 1 66 ARG QD 4.002 . 6.004 4.568 4.120 5.232 . 0 0 "[ . 1 . 2]" 1 393 1 28 ASP HA 1 28 ASP HB2 2.359 . 3.054 2.880 2.452 3.031 . 0 0 "[ . 1 . 2]" 1 394 1 28 ASP HA 1 28 ASP HB3 2.514 . 3.304 2.627 2.302 3.028 . 0 0 "[ . 1 . 2]" 1 395 1 28 ASP HA 1 29 LEU H 3.590 . 5.201 3.563 3.527 3.587 . 0 0 "[ . 1 . 2]" 1 396 1 28 ASP HA 1 31 SER H 3.300 . 4.661 3.303 3.148 3.499 . 0 0 "[ . 1 . 2]" 1 397 1 28 ASP HA 1 31 SER HB2 2.311 . 2.979 2.996 2.661 3.078 0.099 8 0 "[ . 1 . 2]" 1 398 1 28 ASP HA 1 31 SER HB3 2.316 . 2.986 2.939 2.721 3.043 0.057 2 0 "[ . 1 . 2]" 1 399 1 28 ASP HA 1 69 MET ME 2.914 . 3.976 3.089 2.753 3.710 . 0 0 "[ . 1 . 2]" 1 400 1 28 ASP HB3 1 29 LEU H 2.964 . 4.062 3.318 2.295 3.990 . 0 0 "[ . 1 . 2]" 1 401 1 29 LEU H 1 29 LEU HB2 2.392 . 3.107 2.429 2.151 2.565 . 0 0 "[ . 1 . 2]" 1 402 1 29 LEU H 1 29 LEU QD 2.617 . 3.473 2.799 2.077 3.096 . 0 0 "[ . 1 . 2]" 1 403 1 29 LEU H 1 29 LEU HG 2.748 . 3.692 2.654 2.115 3.961 0.269 13 0 "[ . 1 . 2]" 1 404 1 29 LEU H 1 30 ARG H 2.754 . 3.702 2.728 2.604 2.939 . 0 0 "[ . 1 . 2]" 1 405 1 29 LEU H 1 30 ARG H 2.449 . 3.198 2.428 2.372 2.531 . 0 0 "[ . 1 . 2]" 1 406 1 29 LEU HA 1 29 LEU HB2 2.356 . 3.050 2.510 2.260 2.724 . 0 0 "[ . 1 . 2]" 1 407 1 29 LEU HA 1 29 LEU HB3 2.527 . 3.325 2.522 2.452 2.690 . 0 0 "[ . 1 . 2]" 1 408 1 29 LEU HA 1 29 LEU QD . . 2.776 2.084 1.983 2.319 . 0 0 "[ . 1 . 2]" 1 409 1 29 LEU HA 1 32 LEU H 3.054 . 4.220 3.375 3.103 3.525 . 0 0 "[ . 1 . 2]" 1 410 1 29 LEU HA 1 32 LEU HB3 2.385 . 3.096 2.700 2.335 3.103 0.007 12 0 "[ . 1 . 2]" 1 411 1 29 LEU HA 1 32 LEU QD 2.897 . 3.946 3.625 3.158 3.865 . 0 0 "[ . 1 . 2]" 1 412 1 29 LEU HA 1 32 LEU QD 3.583 . 5.188 3.370 3.038 3.562 . 0 0 "[ . 1 . 2]" 1 413 1 29 LEU HA 1 33 PHE H 3.315 . 4.688 3.746 3.364 4.127 . 0 0 "[ . 1 . 2]" 1 414 1 29 LEU HB2 1 29 LEU QD 2.536 . 2.831 2.226 2.100 2.292 . 0 0 "[ . 1 . 2]" 1 415 1 29 LEU HB2 1 29 LEU HG 2.431 . 3.170 2.597 2.443 3.009 . 0 0 "[ . 1 . 2]" 1 416 1 29 LEU HB3 1 29 LEU QD 2.545 . 3.355 2.151 2.080 2.345 . 0 0 "[ . 1 . 2]" 1 417 1 29 LEU MD1 1 29 LEU MD2 1.722 . 2.093 2.082 2.072 2.093 . 0 0 "[ . 1 . 2]" 1 418 1 29 LEU QD 1 29 LEU HG 2.150 . 2.728 1.892 1.884 1.898 . 0 0 "[ . 1 . 2]" 1 419 1 29 LEU QD 1 30 ARG H 4.635 . 7.320 3.931 3.768 4.049 . 0 0 "[ . 1 . 2]" 1 420 1 29 LEU QD 1 33 PHE QE 2.240 . 2.867 2.575 2.198 2.752 . 0 0 "[ . 1 . 2]" 1 421 1 29 LEU QD 1 33 PHE QE 2.515 . 3.306 2.544 2.183 2.727 . 0 0 "[ . 1 . 2]" 1 422 1 29 LEU QD 1 33 PHE HZ 2.577 . 3.407 2.329 1.897 3.084 . 0 0 "[ . 1 . 2]" 1 423 1 29 LEU QD 1 55 PHE QE 3.831 . 5.666 4.925 4.489 5.296 . 0 0 "[ . 1 . 2]" 1 424 1 29 LEU QD 1 55 PHE HZ 4.272 . 6.553 6.159 5.787 6.521 . 0 0 "[ . 1 . 2]" 1 425 1 29 LEU QD 1 53 TYR QD 4.690 . 7.439 4.949 4.062 5.765 . 0 0 "[ . 1 . 2]" 1 426 1 29 LEU QD 1 53 TYR QD 2.776 . 3.739 3.693 3.235 3.977 0.238 11 0 "[ . 1 . 2]" 1 427 1 29 LEU QD 1 56 ILE MG 2.942 . 4.024 1.907 1.580 2.292 0.280 1 0 "[ . 1 . 2]" 1 428 1 29 LEU QD 1 69 MET ME 3.424 . 4.889 4.534 4.266 4.855 . 0 0 "[ . 1 . 2]" 1 429 1 29 LEU HG 1 55 PHE QE 4.006 . 6.012 5.774 5.438 6.020 0.008 2 0 "[ . 1 . 2]" 1 430 1 30 ARG H 1 30 ARG HA 2.739 . 3.677 2.786 2.763 2.806 . 0 0 "[ . 1 . 2]" 1 431 1 30 ARG H 1 31 SER H 2.797 . 3.775 2.731 2.623 2.847 . 0 0 "[ . 1 . 2]" 1 432 1 30 ARG HA 1 30 ARG HB2 1.974 . 2.461 2.538 2.442 3.016 0.555 10 1 "[ . + . 2]" 1 433 1 30 ARG HA 1 30 ARG HB2 2.345 . 3.032 2.403 2.226 2.693 . 0 0 "[ . 1 . 2]" 1 434 1 30 ARG HA 1 30 ARG HD2 2.753 . 3.701 3.559 2.102 4.589 0.888 15 7 "[ . * * *+*-* 2]" 1 435 1 30 ARG HA 1 30 ARG HG2 2.478 . 3.246 2.892 2.266 3.853 0.607 8 5 "[ *. +*1* . -2]" 1 436 1 30 ARG HA 1 30 ARG HG2 2.123 . 2.687 2.343 2.148 2.934 0.247 9 0 "[ . 1 . 2]" 1 437 1 30 ARG HA 1 31 SER H 3.131 . 4.356 3.527 3.442 3.554 . 0 0 "[ . 1 . 2]" 1 438 1 30 ARG HA 1 33 PHE H 3.306 . 4.672 3.943 3.493 4.475 . 0 0 "[ . 1 . 2]" 1 439 1 30 ARG HA 1 33 PHE QD 2.869 . 3.898 3.470 2.696 3.995 0.097 8 0 "[ . 1 . 2]" 1 440 1 30 ARG HA 1 34 SER H 3.598 . 5.216 4.096 3.635 4.617 . 0 0 "[ . 1 . 2]" 1 441 1 30 ARG HB3 1 31 SER H 2.714 . 3.634 2.634 2.382 3.378 . 0 0 "[ . 1 . 2]" 1 442 1 30 ARG HD2 1 31 SER H 4.447 . 6.919 4.348 3.664 5.304 . 0 0 "[ . 1 . 2]" 1 443 1 30 ARG HG2 1 34 SER H 3.435 . 4.910 4.076 3.808 4.253 . 0 0 "[ . 1 . 2]" 1 444 1 30 ARG HG3 1 34 SER H 3.478 . 4.990 4.567 4.125 4.917 . 0 0 "[ . 1 . 2]" 1 445 1 31 SER H 1 31 SER HA 2.638 . 3.508 2.817 2.779 2.909 . 0 0 "[ . 1 . 2]" 1 446 1 31 SER H 1 31 SER QB 2.399 . 3.119 2.218 2.144 2.298 . 0 0 "[ . 1 . 2]" 1 447 1 31 SER H 1 34 SER H 3.677 . 5.367 4.013 3.771 4.295 . 0 0 "[ . 1 . 2]" 1 448 1 31 SER HA 1 32 LEU H 3.279 . 4.623 3.540 3.514 3.563 . 0 0 "[ . 1 . 2]" 1 449 1 31 SER HB2 1 69 MET ME 2.333 . 3.013 3.308 3.244 3.421 0.408 20 0 "[ . 1 . 2]" 1 450 1 31 SER HB3 1 69 MET ME 2.453 . 3.205 1.819 1.655 2.027 0.046 15 0 "[ . 1 . 2]" 1 451 1 32 LEU H 1 32 LEU HA 2.383 . 3.093 2.799 2.774 2.824 . 0 0 "[ . 1 . 2]" 1 452 1 32 LEU H 1 32 LEU HB2 2.391 . 3.106 2.481 2.232 2.700 . 0 0 "[ . 1 . 2]" 1 453 1 32 LEU H 1 32 LEU HB3 2.443 . 3.189 2.495 2.284 2.662 . 0 0 "[ . 1 . 2]" 1 454 1 32 LEU H 1 32 LEU QD 3.008 . 4.139 3.674 3.580 3.751 . 0 0 "[ . 1 . 2]" 1 455 1 32 LEU H 1 32 LEU HG 3.135 . 4.363 4.408 4.312 4.454 0.091 8 0 "[ . 1 . 2]" 1 456 1 32 LEU H 1 33 PHE H 2.537 . 3.342 2.775 2.666 2.897 . 0 0 "[ . 1 . 2]" 1 457 1 32 LEU H 1 33 PHE HB2 4.947 . 8.006 4.495 4.100 4.888 . 0 0 "[ . 1 . 2]" 1 458 1 32 LEU H 1 35 ARG H 4.709 . 7.481 4.780 4.571 4.959 . 0 0 "[ . 1 . 2]" 1 459 1 32 LEU H 1 69 MET ME 3.109 . 4.317 2.580 2.358 2.796 . 0 0 "[ . 1 . 2]" 1 460 1 32 LEU HA 1 32 LEU HB2 2.480 . 3.249 2.449 2.344 2.552 . 0 0 "[ . 1 . 2]" 1 461 1 32 LEU HA 1 32 LEU HB3 2.371 . 3.074 3.009 2.997 3.017 . 0 0 "[ . 1 . 2]" 1 462 1 32 LEU HA 1 32 LEU QD 2.065 . 2.598 1.966 1.777 2.167 0.077 7 0 "[ . 1 . 2]" 1 463 1 32 LEU HA 1 32 LEU HG 3.036 . 4.188 3.323 3.035 3.610 . 0 0 "[ . 1 . 2]" 1 464 1 32 LEU HA 1 33 PHE H 3.199 . 4.478 3.538 3.524 3.559 . 0 0 "[ . 1 . 2]" 1 465 1 32 LEU HA 1 33 PHE QD 3.547 . 5.120 4.996 4.735 5.154 0.034 13 0 "[ . 1 . 2]" 1 466 1 32 LEU HA 1 33 PHE QE 4.478 . 6.984 6.066 5.865 6.229 . 0 0 "[ . 1 . 2]" 1 467 1 32 LEU HA 1 36 ALA H 3.921 . 5.843 4.381 4.134 4.630 . 0 0 "[ . 1 . 2]" 1 468 1 32 LEU HA 1 69 MET ME 2.658 . 3.541 2.536 2.168 3.011 . 0 0 "[ . 1 . 2]" 1 469 1 32 LEU HA 2 8 ALA MB 3.028 . 4.174 3.454 2.916 4.115 . 0 0 "[ . 1 . 2]" 1 470 1 32 LEU HB2 1 32 LEU QD 2.403 . 3.125 2.249 2.075 2.553 . 0 0 "[ . 1 . 2]" 1 471 1 32 LEU HB2 1 32 LEU HG 2.442 . 3.188 2.747 2.220 3.019 . 0 0 "[ . 1 . 2]" 1 472 1 32 LEU HB2 1 33 PHE H 2.624 . 3.484 3.524 3.366 3.622 0.138 19 0 "[ . 1 . 2]" 1 473 1 32 LEU HB2 1 69 MET ME 3.069 . 4.247 1.957 1.774 2.240 0.117 20 0 "[ . 1 . 2]" 1 474 1 32 LEU HB3 1 32 LEU QD 2.360 . 3.056 2.260 2.118 2.402 . 0 0 "[ . 1 . 2]" 1 475 1 32 LEU HB3 1 32 LEU HG 2.650 . 3.528 2.503 2.400 2.678 . 0 0 "[ . 1 . 2]" 1 476 1 32 LEU HB3 1 33 PHE H 2.668 . 3.558 2.297 2.136 2.477 . 0 0 "[ . 1 . 2]" 1 477 1 32 LEU HB3 1 35 ARG H 2.747 . 3.690 3.567 2.970 3.970 0.280 11 0 "[ . 1 . 2]" 1 478 1 32 LEU MD1 1 32 LEU MD2 1.834 . 2.254 2.071 2.033 2.094 . 0 0 "[ . 1 . 2]" 1 479 1 32 LEU QD 1 32 LEU HG 2.011 . 2.516 1.888 1.882 1.891 . 0 0 "[ . 1 . 2]" 1 480 1 32 LEU QD 1 32 LEU HG 2.011 . 2.516 1.841 1.785 1.879 . 0 0 "[ . 1 . 2]" 1 481 1 32 LEU QD 1 33 PHE H 3.071 . 4.250 3.419 2.965 3.796 . 0 0 "[ . 1 . 2]" 1 482 1 32 LEU QD 1 33 PHE QD 2.473 . 3.238 2.684 2.143 3.192 . 0 0 "[ . 1 . 2]" 1 483 1 32 LEU QD 1 33 PHE QE 2.476 . 3.242 2.411 2.022 2.760 . 0 0 "[ . 1 . 2]" 1 484 1 32 LEU QD 1 33 PHE HZ 2.953 . 4.043 3.912 3.727 4.067 0.024 7 0 "[ . 1 . 2]" 1 485 1 32 LEU QD 1 35 ARG H 4.042 . 6.084 3.582 3.251 3.976 . 0 0 "[ . 1 . 2]" 1 486 1 32 LEU QD 1 36 ALA H 3.380 . 4.808 3.709 3.290 4.280 . 0 0 "[ . 1 . 2]" 1 487 1 32 LEU QD 2 7 VAL QG 2.594 . 3.435 1.569 1.308 1.737 0.445 20 0 "[ . 1 . 2]" 1 488 1 32 LEU QD 1 55 PHE HZ 2.841 . 3.850 2.463 1.806 3.018 0.026 17 0 "[ . 1 . 2]" 1 489 1 32 LEU QD 1 55 PHE QD 2.591 . 3.430 3.498 3.264 3.663 0.233 13 0 "[ . 1 . 2]" 1 490 1 32 LEU QD 1 55 PHE QE 2.610 . 3.462 2.442 2.104 2.961 . 0 0 "[ . 1 . 2]" 1 491 1 32 LEU QD 1 65 VAL QG 2.292 . 2.949 2.223 1.797 2.830 . 0 0 "[ . 1 . 2]" 1 492 1 32 LEU QD 2 7 VAL HB 3.218 . 4.513 2.707 1.611 3.620 0.312 11 0 "[ . 1 . 2]" 1 493 1 32 LEU QD 1 69 MET ME 2.870 . 3.123 2.521 2.021 2.933 . 0 0 "[ . 1 . 2]" 1 494 1 32 LEU QD 2 9 GLN H 3.466 . 4.968 3.259 2.058 4.265 . 0 0 "[ . 1 . 2]" 1 495 1 32 LEU QD 2 12 MET ME 3.406 . 4.856 2.228 1.825 4.012 0.131 1 0 "[ . 1 . 2]" 1 496 1 32 LEU QD 2 7 VAL QG 2.243 . 2.872 1.593 1.314 1.781 0.606 20 3 "[- .* 1 . +]" 1 497 1 32 LEU QD 2 8 ALA HA 2.174 . 2.765 2.097 1.840 2.566 0.159 1 0 "[ . 1 . 2]" 1 498 1 32 LEU QD 2 8 ALA HA 2.900 . 3.951 2.072 1.828 2.515 0.021 1 0 "[ . 1 . 2]" 1 499 1 32 LEU QD 2 8 ALA MB 2.007 . 2.511 2.106 1.698 2.559 0.277 14 0 "[ . 1 . 2]" 1 500 1 32 LEU QD 2 11 LEU H 2.700 . 3.611 3.565 3.421 3.711 0.100 8 0 "[ . 1 . 2]" 1 501 1 32 LEU QD 2 11 LEU HB3 3.625 . 5.268 3.920 3.074 4.613 . 0 0 "[ . 1 . 2]" 1 502 1 32 LEU HG 1 33 PHE H 3.162 . 4.412 3.772 2.942 4.672 0.260 8 0 "[ . 1 . 2]" 1 503 1 32 LEU HG 2 11 LEU QD 2.942 . 4.024 2.532 2.049 3.356 . 0 0 "[ . 1 . 2]" 1 504 1 32 LEU HG 1 55 PHE QE 3.893 . 5.787 4.485 4.173 4.950 . 0 0 "[ . 1 . 2]" 1 505 1 32 LEU HG 1 55 PHE HZ 4.424 . 6.871 5.526 5.020 5.846 . 0 0 "[ . 1 . 2]" 1 506 1 33 PHE H 1 33 PHE HA 2.976 . 4.083 2.799 2.770 2.821 . 0 0 "[ . 1 . 2]" 1 507 1 33 PHE H 1 33 PHE HB2 2.596 . 3.438 2.571 2.512 2.647 . 0 0 "[ . 1 . 2]" 1 508 1 33 PHE H 1 33 PHE QD 3.149 . 4.389 2.911 2.715 3.066 . 0 0 "[ . 1 . 2]" 1 509 1 33 PHE H 1 34 SER H 2.205 . 2.813 2.369 2.331 2.430 . 0 0 "[ . 1 . 2]" 1 510 1 33 PHE H 1 34 SER QB 3.355 . 4.762 4.486 4.366 4.726 . 0 0 "[ . 1 . 2]" 1 511 1 33 PHE HA 1 33 PHE HB2 2.517 . 3.309 3.023 3.018 3.028 . 0 0 "[ . 1 . 2]" 1 512 1 33 PHE HA 1 33 PHE HB3 2.590 . 3.429 2.450 2.426 2.487 . 0 0 "[ . 1 . 2]" 1 513 1 33 PHE HA 1 33 PHE QD 2.354 . 3.047 1.996 1.893 2.150 . 0 0 "[ . 1 . 2]" 1 514 1 33 PHE HA 1 33 PHE QE 3.191 . 4.464 4.351 4.260 4.477 0.013 15 0 "[ . 1 . 2]" 1 515 1 33 PHE HA 1 35 ARG H 2.342 . 3.027 3.050 2.694 3.348 0.321 7 0 "[ . 1 . 2]" 1 516 1 33 PHE HA 1 36 ALA H 2.705 . 3.619 2.682 2.621 2.739 . 0 0 "[ . 1 . 2]" 1 517 1 33 PHE HA 1 36 ALA MB 2.566 . 3.389 2.455 2.277 2.677 . 0 0 "[ . 1 . 2]" 1 518 1 33 PHE HA 1 38 ILE MD 2.664 . 3.551 2.091 1.791 2.592 . 0 0 "[ . 1 . 2]" 1 519 1 33 PHE HA 2 11 LEU QD 3.909 . 5.820 2.757 2.494 2.943 . 0 0 "[ . 1 . 2]" 1 520 1 33 PHE QB 1 36 ALA H 4.119 . 6.240 4.351 4.222 4.571 . 0 0 "[ . 1 . 2]" 1 521 1 33 PHE QB 1 37 GLY H 4.493 . 7.016 5.250 4.782 5.678 . 0 0 "[ . 1 . 2]" 1 522 1 33 PHE HB2 1 34 SER H 2.736 . 3.672 2.654 2.474 2.853 . 0 0 "[ . 1 . 2]" 1 523 1 33 PHE HB2 1 35 ARG H 3.161 . 4.410 3.663 3.242 4.203 . 0 0 "[ . 1 . 2]" 1 524 1 33 PHE HB3 1 38 ILE H 3.220 . 4.516 4.264 3.698 4.583 0.067 2 0 "[ . 1 . 2]" 1 525 1 33 PHE HB3 1 38 ILE HB 2.522 . 3.317 2.051 1.701 2.539 0.026 13 0 "[ . 1 . 2]" 1 526 1 33 PHE QD 1 34 SER H 4.523 . 7.080 4.383 4.311 4.439 . 0 0 "[ . 1 . 2]" 1 527 1 33 PHE QD 1 36 ALA MB 2.786 . 3.757 3.497 3.172 3.820 0.063 20 0 "[ . 1 . 2]" 1 528 1 33 PHE QD 1 38 ILE MD 2.395 . 3.112 2.574 2.143 3.148 0.036 11 0 "[ . 1 . 2]" 1 529 1 33 PHE QD 1 40 GLU HA 4.536 . 7.108 5.966 5.559 6.323 . 0 0 "[ . 1 . 2]" 1 530 1 33 PHE QD 1 43 LEU HA 4.370 . 6.758 4.894 4.641 5.172 . 0 0 "[ . 1 . 2]" 1 531 1 33 PHE QD 1 43 LEU QD 2.298 . 2.958 1.993 1.792 2.223 0.050 9 0 "[ . 1 . 2]" 1 532 1 33 PHE QD 1 52 ILE MD 2.775 . 3.738 3.674 3.229 3.857 0.119 3 0 "[ . 1 . 2]" 1 533 1 33 PHE QD 2 7 VAL QG 3.867 . 5.736 5.265 5.070 5.392 . 0 0 "[ . 1 . 2]" 1 534 1 33 PHE QD 2 11 LEU QD . . 2.772 2.238 2.039 2.457 . 0 0 "[ . 1 . 2]" 1 535 1 33 PHE QE 1 43 LEU HA 4.677 . 7.412 5.664 5.348 6.104 . 0 0 "[ . 1 . 2]" 1 536 1 33 PHE QE 1 43 LEU QD 2.658 . 3.541 2.923 2.575 3.180 . 0 0 "[ . 1 . 2]" 1 537 1 33 PHE QE 1 52 ILE MD 2.995 . 4.116 4.007 3.834 4.131 0.015 7 0 "[ . 1 . 2]" 1 538 1 33 PHE QE 1 52 ILE MG 2.304 . 2.967 2.511 2.412 2.675 . 0 0 "[ . 1 . 2]" 1 539 1 33 PHE QE 1 55 PHE HZ 4.544 . 7.125 6.514 5.896 6.991 . 0 0 "[ . 1 . 2]" 1 540 1 33 PHE QE 2 11 LEU QD . . 3.192 2.621 2.266 3.012 . 0 0 "[ . 1 . 2]" 1 541 1 33 PHE HZ 1 43 LEU QD 3.520 . 5.068 4.086 3.685 4.359 . 0 0 "[ . 1 . 2]" 1 542 1 33 PHE HZ 1 52 ILE MD 3.312 . 4.683 4.731 4.549 4.802 0.119 8 0 "[ . 1 . 2]" 1 543 1 33 PHE HZ 1 52 ILE MG 2.496 . 3.275 2.932 2.771 3.085 . 0 0 "[ . 1 . 2]" 1 544 1 33 PHE HZ 1 55 PHE QE 5.403 . 9.052 6.329 5.736 6.778 . 0 0 "[ . 1 . 2]" 1 545 1 33 PHE HZ 1 56 ILE MD 2.487 . 3.260 1.962 1.691 2.264 0.023 11 0 "[ . 1 . 2]" 1 546 1 33 PHE HZ 2 11 LEU QD 3.986 . 5.972 4.494 4.148 4.741 . 0 0 "[ . 1 . 2]" 1 547 1 34 SER H 1 34 SER HA 2.657 . 3.539 2.814 2.798 2.839 . 0 0 "[ . 1 . 2]" 1 548 1 34 SER H 1 34 SER QB 2.375 . 3.080 2.277 2.210 2.489 . 0 0 "[ . 1 . 2]" 1 549 1 34 SER H 1 35 ARG H 2.128 . 2.694 2.625 2.529 2.694 . 0 0 "[ . 1 . 2]" 1 550 1 34 SER H 1 35 ARG QB 3.498 . 5.027 4.130 3.963 4.299 . 0 0 "[ . 1 . 2]" 1 551 1 34 SER H 1 43 LEU QD 4.346 . 6.707 4.492 4.004 5.341 . 0 0 "[ . 1 . 2]" 1 552 1 34 SER HA 1 34 SER QB 1.881 . 2.323 2.333 2.315 2.361 0.038 2 0 "[ . 1 . 2]" 1 553 1 34 SER HA 1 37 GLY H 2.695 . 3.603 3.599 3.431 3.681 0.078 7 0 "[ . 1 . 2]" 1 554 1 34 SER HA 1 38 ILE H 3.158 . 4.404 4.090 3.644 4.434 0.030 4 0 "[ . 1 . 2]" 1 555 1 34 SER QB 1 35 ARG H 2.453 . 3.205 2.713 2.501 3.003 . 0 0 "[ . 1 . 2]" 1 556 1 35 ARG H 1 35 ARG QB 2.276 . 2.924 2.317 2.097 2.474 . 0 0 "[ . 1 . 2]" 1 557 1 35 ARG H 1 36 ALA H 2.426 . 3.161 2.462 2.204 2.617 . 0 0 "[ . 1 . 2]" 1 558 1 35 ARG H 1 37 GLY H 4.041 . 6.082 3.983 3.837 4.154 . 0 0 "[ . 1 . 2]" 1 559 1 35 ARG HA 1 35 ARG HG2 2.196 . 2.799 2.674 2.529 3.020 0.221 9 0 "[ . 1 . 2]" 1 560 1 35 ARG HA 1 35 ARG HG3 2.008 . 2.512 2.736 2.354 2.997 0.485 5 0 "[ . 1 . 2]" 1 561 1 35 ARG HA 1 36 ALA H 2.576 . 3.406 3.351 3.209 3.396 . 0 0 "[ . 1 . 2]" 1 562 1 35 ARG HA 2 8 ALA MB 4.191 . 6.387 4.040 3.752 4.707 . 0 0 "[ . 1 . 2]" 1 563 1 35 ARG HA 2 8 ALA MB 2.661 . 3.546 3.489 3.308 3.674 0.128 11 0 "[ . 1 . 2]" 1 564 1 35 ARG QB 2 8 ALA MB 2.493 . 3.270 2.112 1.803 2.932 . 0 0 "[ . 1 . 2]" 1 565 1 35 ARG HB3 2 8 ALA H 3.772 . 5.550 4.726 4.350 5.270 . 0 0 "[ . 1 . 2]" 1 566 1 35 ARG HB3 2 8 ALA MB 2.286 . 2.939 2.334 1.908 2.982 0.043 11 0 "[ . 1 . 2]" 1 567 1 35 ARG QD 1 35 ARG HG3 2.028 . 2.542 2.293 2.159 2.429 . 0 0 "[ . 1 . 2]" 1 568 1 35 ARG QD 1 35 ARG HG3 1.806 . 2.214 2.012 1.932 2.158 . 0 0 "[ . 1 . 2]" 1 569 1 35 ARG QD 1 69 MET ME 2.678 . 3.574 3.093 2.417 3.720 0.146 2 0 "[ . 1 . 2]" 1 570 1 35 ARG QD 2 8 ALA MB 2.593 . 3.433 2.830 2.062 3.630 0.197 2 0 "[ . 1 . 2]" 1 571 1 35 ARG HG2 2 8 ALA MB 2.821 . 3.816 3.681 2.479 4.194 0.378 18 0 "[ . 1 . 2]" 1 572 1 35 ARG HG3 2 8 ALA MB 3.516 . 5.062 4.102 3.810 4.430 . 0 0 "[ . 1 . 2]" 1 573 1 36 ALA H 1 36 ALA MB 2.227 . 2.847 2.242 2.163 2.306 . 0 0 "[ . 1 . 2]" 1 574 1 36 ALA H 1 37 GLY H 2.625 . 3.486 2.520 2.345 2.620 . 0 0 "[ . 1 . 2]" 1 575 1 36 ALA H 1 37 GLY QA 4.195 . 6.395 4.461 4.282 4.554 . 0 0 "[ . 1 . 2]" 1 576 1 36 ALA HA 1 36 ALA MB 1.935 . 2.403 2.128 2.122 2.134 . 0 0 "[ . 1 . 2]" 1 577 1 36 ALA HA 2 8 ALA HA 4.169 . 6.342 3.587 2.923 4.215 . 0 0 "[ . 1 . 2]" 1 578 1 36 ALA HA 2 8 ALA MB 2.116 . 2.675 2.591 2.391 2.739 0.064 17 0 "[ . 1 . 2]" 1 579 1 36 ALA HA 2 11 LEU HB2 4.503 . 7.037 4.962 3.977 6.269 . 0 0 "[ . 1 . 2]" 1 580 1 36 ALA HA 2 12 MET ME 2.700 . 3.611 2.270 1.873 3.356 0.107 3 0 "[ . 1 . 2]" 1 581 1 36 ALA HA 2 12 MET HG2 3.490 . 5.012 3.303 2.254 4.573 . 0 0 "[ . 1 . 2]" 1 582 1 36 ALA HA 2 12 MET HG3 3.475 . 4.985 2.872 2.477 3.207 . 0 0 "[ . 1 . 2]" 1 583 1 36 ALA MB 1 37 GLY H 2.789 . 3.761 3.143 2.795 3.501 . 0 0 "[ . 1 . 2]" 1 584 1 36 ALA MB 1 38 ILE MD 2.230 . 2.851 2.170 1.740 2.427 . 0 0 "[ . 1 . 2]" 1 585 1 36 ALA MB 1 38 ILE QG 2.918 . 3.982 2.377 1.976 3.680 . 0 0 "[ . 1 . 2]" 1 586 1 36 ALA MB 1 55 PHE HZ 3.784 . 5.574 5.100 4.794 5.406 . 0 0 "[ . 1 . 2]" 1 587 1 36 ALA MB 2 8 ALA HA 2.765 . 3.721 2.438 2.107 2.892 . 0 0 "[ . 1 . 2]" 1 588 1 36 ALA MB 2 11 LEU HB2 2.993 . 4.113 2.932 2.229 3.965 . 0 0 "[ . 1 . 2]" 1 589 1 36 ALA MB 2 11 LEU HB3 3.263 . 4.594 2.177 1.763 2.689 0.169 14 0 "[ . 1 . 2]" 1 590 1 36 ALA MB 2 11 LEU QD 2.356 . 3.050 2.142 1.914 2.406 0.085 2 0 "[ . 1 . 2]" 1 591 1 36 ALA MB 2 11 LEU HG 3.106 . 4.312 3.430 2.418 3.980 . 0 0 "[ . 1 . 2]" 1 592 1 36 ALA MB 2 12 MET HB3 3.872 . 5.746 5.080 4.383 5.403 . 0 0 "[ . 1 . 2]" 1 593 1 36 ALA MB 2 12 MET ME 2.705 . 3.620 3.514 3.203 3.695 0.075 20 0 "[ . 1 . 2]" 1 594 1 36 ALA MB 2 12 MET HG2 3.059 . 3.898 3.378 2.682 3.816 . 0 0 "[ . 1 . 2]" 1 595 1 36 ALA MB 2 12 MET HG3 3.284 . 3.974 3.042 2.136 3.280 . 0 0 "[ . 1 . 2]" 1 596 1 36 ALA MB 2 13 GLN H 3.269 . 4.605 4.438 4.348 4.607 0.002 2 0 "[ . 1 . 2]" 1 597 1 36 ALA MB 2 14 HIS HD2 4.471 . 6.970 6.061 5.188 6.614 . 0 0 "[ . 1 . 2]" 1 598 1 37 GLY H 1 37 GLY QA 2.483 . 3.083 2.288 2.237 2.348 . 0 0 "[ . 1 . 2]" 1 599 1 37 GLY H 1 38 ILE H 2.335 . 3.017 2.437 2.113 2.826 . 0 0 "[ . 1 . 2]" 1 600 1 37 GLY H 1 38 ILE MD 4.442 . 6.908 4.367 3.180 4.857 . 0 0 "[ . 1 . 2]" 1 601 1 37 GLY H 1 38 ILE QG 4.709 . 7.481 3.955 3.507 5.112 . 0 0 "[ . 1 . 2]" 1 602 1 37 GLY QA 1 38 ILE H 2.913 . 3.974 2.884 2.836 2.923 . 0 0 "[ . 1 . 2]" 1 603 1 37 GLY QA 2 24 ARG H 3.835 . 5.674 5.462 4.907 5.810 0.136 1 0 "[ . 1 . 2]" 1 604 1 37 GLY QA 2 22 PRO HA 4.612 . 7.271 5.823 3.078 7.359 0.088 14 0 "[ . 1 . 2]" 1 605 1 37 GLY QA 2 22 PRO HB3 4.947 . 8.006 6.624 5.270 7.566 . 0 0 "[ . 1 . 2]" 1 606 1 38 ILE H 1 38 ILE HB 2.305 . 2.969 2.644 2.578 2.728 . 0 0 "[ . 1 . 2]" 1 607 1 38 ILE H 1 38 ILE MD 2.708 . 3.625 2.929 1.805 3.155 . 0 0 "[ . 1 . 2]" 1 608 1 38 ILE H 1 38 ILE QG 2.405 . 3.128 1.911 1.686 3.032 . 0 0 "[ . 1 . 2]" 1 609 1 38 ILE HA 1 38 ILE HB 2.859 . 3.881 3.016 3.004 3.024 . 0 0 "[ . 1 . 2]" 1 610 1 38 ILE HA 1 38 ILE QG 2.902 . 3.535 2.556 2.415 2.629 . 0 0 "[ . 1 . 2]" 1 611 1 38 ILE HA 1 38 ILE MG 2.179 . 2.773 2.296 2.246 2.354 . 0 0 "[ . 1 . 2]" 1 612 1 38 ILE HA 1 39 SER H 2.355 . 3.048 2.162 2.139 2.196 . 0 0 "[ . 1 . 2]" 1 613 1 38 ILE HA 2 23 ALA MB 4.172 . 6.347 4.005 2.421 5.294 . 0 0 "[ . 1 . 2]" 1 614 1 38 ILE HB 1 38 ILE MD 2.452 . 3.203 2.312 2.237 2.383 . 0 0 "[ . 1 . 2]" 1 615 1 38 ILE HB 1 38 ILE QG 2.981 . 3.729 2.437 2.403 2.468 . 0 0 "[ . 1 . 2]" 1 616 1 38 ILE HB 1 38 ILE MG 2.123 . 2.687 2.127 2.119 2.132 . 0 0 "[ . 1 . 2]" 1 617 1 38 ILE MD 1 38 ILE QG 2.210 . 2.820 1.883 1.878 1.888 . 0 0 "[ . 1 . 2]" 1 618 1 38 ILE MD 2 11 LEU HB3 3.560 . 5.145 3.236 2.361 4.365 . 0 0 "[ . 1 . 2]" 1 619 1 38 ILE MD 2 11 LEU QD . . 2.632 1.633 1.498 1.975 0.384 5 0 "[ . 1 . 2]" 1 620 1 38 ILE MD 2 11 LEU HG 3.008 . 4.139 3.271 2.125 3.975 . 0 0 "[ . 1 . 2]" 1 621 1 38 ILE MD 2 15 LEU QD 2.345 . 3.033 2.387 1.982 2.649 . 0 0 "[ . 1 . 2]" 1 622 1 38 ILE QG 1 38 ILE MG 2.666 . 3.504 2.209 2.048 2.272 . 0 0 "[ . 1 . 2]" 1 623 1 38 ILE QG 1 42 GLN HE22 4.391 . 6.801 3.431 2.331 4.928 . 0 0 "[ . 1 . 2]" 1 624 1 38 ILE QG 1 52 ILE H 4.163 . 6.329 6.234 5.442 6.491 0.162 12 0 "[ . 1 . 2]" 1 625 1 38 ILE QG 2 14 HIS HE1 6.437 . 11.617 8.930 8.246 9.334 . 0 0 "[ . 1 . 2]" 1 626 1 38 ILE QG 2 15 LEU QD 3.818 . 4.596 2.617 2.209 3.225 . 0 0 "[ . 1 . 2]" 1 627 1 38 ILE MG 1 39 SER H 2.718 . 3.641 3.086 2.831 3.269 . 0 0 "[ . 1 . 2]" 1 628 1 38 ILE MG 1 42 GLN H 3.355 . 4.762 3.912 3.608 4.184 . 0 0 "[ . 1 . 2]" 1 629 1 38 ILE MG 1 42 GLN HB2 2.618 . 3.475 2.718 2.030 3.571 0.096 2 0 "[ . 1 . 2]" 1 630 1 38 ILE MG 1 42 GLN HB3 2.772 . 3.733 2.037 1.788 2.463 0.023 16 0 "[ . 1 . 2]" 1 631 1 38 ILE MG 1 43 LEU H 2.846 . 3.858 2.901 2.648 3.117 . 0 0 "[ . 1 . 2]" 1 632 1 38 ILE MG 1 43 LEU QD 2.160 . 2.743 1.970 1.768 2.136 . 0 0 "[ . 1 . 2]" 1 633 1 38 ILE MG 1 44 THR H 4.325 . 6.664 3.989 3.791 4.108 . 0 0 "[ . 1 . 2]" 1 634 1 38 ILE MG 1 48 THR MG 3.207 . 4.493 2.563 2.170 3.013 . 0 0 "[ . 1 . 2]" 1 635 1 38 ILE MG 2 23 ALA H 4.103 . 6.207 5.477 4.995 6.230 0.023 4 0 "[ . 1 . 2]" 1 636 1 39 SER H 1 39 SER HB2 2.868 . 3.896 2.783 2.437 3.669 . 0 0 "[ . 1 . 2]" 1 637 1 39 SER H 1 42 GLN H 4.033 . 6.066 3.629 3.186 4.085 . 0 0 "[ . 1 . 2]" 1 638 1 39 SER H 1 42 GLN HB2 2.904 . 3.958 2.588 1.838 3.042 0.012 16 0 "[ . 1 . 2]" 1 639 1 39 SER H 1 42 GLN HB3 3.114 . 4.326 3.319 2.300 4.189 . 0 0 "[ . 1 . 2]" 1 640 1 39 SER H 1 42 GLN HG3 3.399 . 4.843 3.818 2.928 4.846 0.003 3 0 "[ . 1 . 2]" 1 641 1 39 SER H 2 23 ALA MB 3.020 . 4.160 2.713 1.877 3.808 0.003 20 0 "[ . 1 . 2]" 1 642 1 39 SER HA 1 39 SER HB2 2.253 . 2.888 2.603 2.408 3.009 0.121 3 0 "[ . 1 . 2]" 1 643 1 39 SER HA 1 39 SER HB3 2.111 . 2.668 2.783 2.392 3.016 0.348 20 0 "[ . 1 . 2]" 1 644 1 39 SER HA 1 40 GLU H 2.998 . 4.122 2.529 2.334 2.671 . 0 0 "[ . 1 . 2]" 1 645 1 39 SER HA 2 23 ALA MB 3.102 . 4.304 4.202 3.779 4.443 0.139 16 0 "[ . 1 . 2]" 1 646 1 39 SER HB2 1 40 GLU H 3.021 . 4.162 2.608 2.114 2.736 . 0 0 "[ . 1 . 2]" 1 647 1 39 SER HB2 1 41 ALA H 2.963 . 4.060 3.245 2.714 3.500 . 0 0 "[ . 1 . 2]" 1 648 1 39 SER HB2 1 42 GLN H 3.685 . 5.383 4.120 2.630 5.114 . 0 0 "[ . 1 . 2]" 1 649 1 39 SER HB2 2 23 ALA MB 2.308 . 2.974 2.574 1.861 3.544 0.570 12 1 "[ . 1 + . 2]" 1 650 1 39 SER HB3 1 40 GLU H 3.063 . 4.236 3.167 2.095 3.851 . 0 0 "[ . 1 . 2]" 1 651 1 39 SER HB3 1 42 GLN H 3.869 . 5.740 3.530 2.596 4.646 . 0 0 "[ . 1 . 2]" 1 652 1 39 SER HB3 2 23 ALA MB 2.891 . 3.935 2.374 1.762 3.275 0.087 8 0 "[ . 1 . 2]" 1 653 1 40 GLU H 1 40 GLU QB 2.795 . 3.772 2.339 2.155 2.668 . 0 0 "[ . 1 . 2]" 1 654 1 40 GLU H 1 41 ALA H 3.665 . 5.344 2.816 2.621 3.028 . 0 0 "[ . 1 . 2]" 1 655 1 40 GLU HA 1 40 GLU QB 2.063 . 2.595 2.372 2.306 2.505 . 0 0 "[ . 1 . 2]" 1 656 1 40 GLU HA 1 40 GLU HG2 2.676 . 3.571 2.961 2.285 3.677 0.106 15 0 "[ . 1 . 2]" 1 657 1 40 GLU HA 1 40 GLU HG3 2.723 . 3.650 2.725 2.438 3.254 . 0 0 "[ . 1 . 2]" 1 658 1 40 GLU HA 1 43 LEU H 2.871 . 3.902 3.476 2.994 3.669 . 0 0 "[ . 1 . 2]" 1 659 1 40 GLU HA 1 43 LEU HB2 2.806 . 3.790 2.906 2.161 3.630 . 0 0 "[ . 1 . 2]" 1 660 1 40 GLU HA 1 43 LEU QD 2.363 . 3.061 2.748 2.163 3.137 0.076 6 0 "[ . 1 . 2]" 1 661 1 40 GLU QB 1 42 GLN H 3.467 . 4.970 4.181 3.872 4.392 . 0 0 "[ . 1 . 2]" 1 662 1 40 GLU HG3 1 43 LEU H 3.578 . 5.179 4.548 4.244 4.913 . 0 0 "[ . 1 . 2]" 1 663 1 41 ALA H 1 41 ALA MB 2.405 . 3.128 2.234 2.218 2.266 . 0 0 "[ . 1 . 2]" 1 664 1 41 ALA H 1 42 GLN H 2.647 . 3.523 2.721 2.533 2.911 . 0 0 "[ . 1 . 2]" 1 665 1 41 ALA MB 1 42 GLN H 2.781 . 3.748 2.536 2.248 3.011 . 0 0 "[ . 1 . 2]" 1 666 1 41 ALA MB 1 45 ASP H 3.399 . 4.843 4.148 4.074 4.204 . 0 0 "[ . 1 . 2]" 1 667 1 42 GLN H 1 42 GLN HA 2.806 . 3.791 2.827 2.752 2.918 . 0 0 "[ . 1 . 2]" 1 668 1 42 GLN H 1 42 GLN HB3 2.883 . 3.922 3.232 2.670 3.632 . 0 0 "[ . 1 . 2]" 1 669 1 42 GLN H 1 48 THR MG 4.984 . 8.089 4.965 4.578 5.288 . 0 0 "[ . 1 . 2]" 1 670 1 42 GLN H 2 29 HIS HE1 3.196 . 4.472 4.568 4.460 4.720 0.248 5 0 "[ . 1 . 2]" 1 671 1 42 GLN HA 1 42 GLN HB2 2.922 . 3.990 2.827 2.549 3.023 . 0 0 "[ . 1 . 2]" 1 672 1 42 GLN HA 1 42 GLN HB3 2.526 . 3.324 2.756 2.469 3.015 . 0 0 "[ . 1 . 2]" 1 673 1 42 GLN HA 1 42 GLN HG2 2.358 . 3.053 2.692 2.340 3.635 0.582 20 1 "[ . 1 . +]" 1 674 1 42 GLN HA 1 43 LEU H 2.764 . 3.719 2.727 2.699 2.746 . 0 0 "[ . 1 . 2]" 1 675 1 42 GLN HA 1 45 ASP H 3.007 . 4.137 3.093 2.816 3.312 . 0 0 "[ . 1 . 2]" 1 676 1 42 GLN HA 1 44 THR H 2.790 . 3.763 3.745 3.450 3.865 0.102 3 0 "[ . 1 . 2]" 1 677 1 42 GLN HA 1 45 ASP QB 2.998 . 4.121 2.365 2.017 3.265 . 0 0 "[ . 1 . 2]" 1 678 1 42 GLN HA 1 45 ASP HB3 3.046 . 4.206 3.396 2.525 4.757 0.551 12 1 "[ . 1 + . 2]" 1 679 1 42 GLN HA 1 48 THR MG 2.834 . 3.838 3.341 2.885 3.865 0.027 20 0 "[ . 1 . 2]" 1 680 1 42 GLN HB2 1 42 GLN HG2 2.687 . 3.589 2.947 2.393 3.010 . 0 0 "[ . 1 . 2]" 1 681 1 42 GLN HB2 1 43 LEU H 3.062 . 4.234 3.154 2.638 3.744 . 0 0 "[ . 1 . 2]" 1 682 1 42 GLN HB2 1 48 THR MG 3.035 . 4.187 3.645 3.221 4.309 0.122 6 0 "[ . 1 . 2]" 1 683 1 42 GLN HB3 1 42 GLN HG2 2.951 . 4.040 2.459 2.379 2.526 . 0 0 "[ . 1 . 2]" 1 684 1 42 GLN HB3 1 42 GLN HG3 2.736 . 3.672 2.948 2.395 3.008 . 0 0 "[ . 1 . 2]" 1 685 1 42 GLN HB3 1 43 LEU H 2.563 . 3.384 2.562 2.238 3.443 0.059 9 0 "[ . 1 . 2]" 1 686 1 42 GLN HB3 1 44 THR H 3.721 . 5.452 4.281 4.068 4.724 . 0 0 "[ . 1 . 2]" 1 687 1 42 GLN HB3 1 48 THR MG 2.546 . 3.356 2.407 1.670 3.462 0.106 6 0 "[ . 1 . 2]" 1 688 1 42 GLN HE21 1 42 GLN HG2 2.879 . 3.915 2.521 2.211 3.494 . 0 0 "[ . 1 . 2]" 1 689 1 42 GLN HE21 1 42 GLN HG3 2.713 . 3.633 3.052 2.225 3.486 . 0 0 "[ . 1 . 2]" 1 690 1 42 GLN HE21 1 48 THR MG 4.525 . 7.084 2.862 1.944 4.558 0.022 10 0 "[ . 1 . 2]" 1 691 1 42 GLN HE21 2 20 ILE MG 3.214 . 4.505 2.942 2.006 4.998 0.493 18 0 "[ . 1 . 2]" 1 692 1 42 GLN HE21 2 22 PRO HA 4.505 . 7.042 3.166 1.931 4.772 0.037 13 0 "[ . 1 . 2]" 1 693 1 42 GLN HE21 2 23 ALA H 3.940 . 5.880 3.826 2.009 5.259 . 0 0 "[ . 1 . 2]" 1 694 1 42 GLN HE22 2 15 LEU QD 3.193 . 4.467 3.279 2.636 4.540 0.073 20 0 "[ . 1 . 2]" 1 695 1 42 GLN HE22 2 22 PRO HA 3.365 . 4.781 3.115 2.170 5.116 0.335 15 0 "[ . 1 . 2]" 1 696 1 42 GLN HE22 2 23 ALA H 3.394 . 4.834 3.791 2.196 5.240 0.406 15 0 "[ . 1 . 2]" 1 697 1 42 GLN HG2 2 23 ALA MB 4.210 . 6.426 3.717 2.096 4.892 . 0 0 "[ . 1 . 2]" 1 698 1 42 GLN HG3 1 48 THR MG 2.816 . 3.807 3.330 1.510 4.445 0.638 4 1 "[ +. 1 . 2]" 1 699 1 42 GLN HG3 1 48 THR MG 2.538 . 3.343 2.404 1.491 3.054 0.242 15 0 "[ . 1 . 2]" 1 700 1 43 LEU H 1 43 LEU HB2 2.708 . 3.625 2.377 2.267 2.536 . 0 0 "[ . 1 . 2]" 1 701 1 43 LEU H 1 43 LEU HB3 2.776 . 3.739 3.248 2.452 3.463 . 0 0 "[ . 1 . 2]" 1 702 1 43 LEU H 1 43 LEU QD 3.386 . 4.819 3.264 2.438 3.647 . 0 0 "[ . 1 . 2]" 1 703 1 43 LEU HA 1 43 LEU HB3 2.878 . 3.913 2.634 2.451 3.018 . 0 0 "[ . 1 . 2]" 1 704 1 43 LEU HA 1 43 LEU QD 2.093 . 2.641 1.923 1.735 2.112 . 0 0 "[ . 1 . 2]" 1 705 1 43 LEU HA 1 52 ILE MD 3.125 . 4.345 2.984 2.468 3.301 . 0 0 "[ . 1 . 2]" 1 706 1 43 LEU HB2 1 43 LEU QD 2.378 . 3.085 2.226 2.094 2.316 . 0 0 "[ . 1 . 2]" 1 707 1 43 LEU HB2 1 43 LEU QD 2.423 . 3.157 1.979 1.897 2.046 . 0 0 "[ . 1 . 2]" 1 708 1 43 LEU HB2 1 43 LEU HG 2.710 . 3.628 2.593 2.429 3.019 . 0 0 "[ . 1 . 2]" 1 709 1 43 LEU HB2 1 44 THR H 3.221 . 4.518 3.369 3.049 4.217 . 0 0 "[ . 1 . 2]" 1 710 1 43 LEU HB3 1 43 LEU QD 2.620 . 3.478 2.152 2.098 2.564 . 0 0 "[ . 1 . 2]" 1 711 1 43 LEU MD1 1 43 LEU MD2 2.148 . 2.725 2.081 2.071 2.088 . 0 0 "[ . 1 . 2]" 1 712 1 43 LEU QD 1 52 ILE MD 2.223 . 2.841 2.008 1.856 2.403 . 0 0 "[ . 1 . 2]" 1 713 1 43 LEU QD 1 52 ILE MG 2.795 . 3.771 2.970 2.569 3.383 . 0 0 "[ . 1 . 2]" 1 714 1 44 THR H 1 44 THR MG 2.597 . 3.440 2.934 2.653 3.144 . 0 0 "[ . 1 . 2]" 1 715 1 44 THR H 1 45 ASP H 2.380 . 3.088 2.305 2.108 2.458 . 0 0 "[ . 1 . 2]" 1 716 1 44 THR H 1 45 ASP HB3 3.477 . 4.989 4.960 4.289 5.848 0.859 12 7 "[ * . **+**. - 2]" 1 717 1 44 THR H 2 29 HIS HE1 2.982 . 4.094 3.811 3.196 4.297 0.203 15 0 "[ . 1 . 2]" 1 718 1 44 THR HA 1 44 THR HB 2.132 . 2.700 2.552 2.496 2.599 . 0 0 "[ . 1 . 2]" 1 719 1 44 THR HA 1 44 THR MG 2.108 . 2.664 2.272 2.227 2.331 . 0 0 "[ . 1 . 2]" 1 720 1 44 THR HA 1 45 ASP H 2.632 . 3.498 2.668 2.627 2.692 . 0 0 "[ . 1 . 2]" 1 721 1 44 THR HB 1 44 THR MG 1.937 . 2.406 2.137 2.133 2.142 . 0 0 "[ . 1 . 2]" 1 722 1 44 THR MG 2 29 HIS HD2 4.234 . 6.475 5.240 2.634 6.660 0.185 3 0 "[ . 1 . 2]" 1 723 1 45 ASP H 1 45 ASP HB3 2.358 . 3.053 2.927 2.423 3.602 0.549 14 2 "[ . 1 - +. 2]" 1 724 1 45 ASP H 1 46 ALA H 4.709 . 7.481 4.580 4.526 4.627 . 0 0 "[ . 1 . 2]" 1 725 1 45 ASP H 1 48 THR HB 3.043 . 4.201 3.502 3.031 3.731 . 0 0 "[ . 1 . 2]" 1 726 1 45 ASP H 1 48 THR MG 4.709 . 7.481 4.368 3.889 4.588 . 0 0 "[ . 1 . 2]" 1 727 1 45 ASP H 1 49 SER H 3.760 . 5.527 3.900 3.525 4.183 . 0 0 "[ . 1 . 2]" 1 728 1 45 ASP H 1 49 SER HB3 3.416 . 4.875 4.120 3.257 5.385 0.510 17 1 "[ . 1 . + 2]" 1 729 1 45 ASP HA 1 46 ALA H 2.858 . 3.879 2.294 2.198 2.470 . 0 0 "[ . 1 . 2]" 1 730 1 45 ASP HB2 1 48 THR HB 2.469 . 3.231 2.977 2.146 3.411 0.180 16 0 "[ . 1 . 2]" 1 731 1 45 ASP HB3 1 46 ALA H 3.888 . 5.778 3.452 2.706 4.077 . 0 0 "[ . 1 . 2]" 1 732 1 45 ASP HB3 1 47 GLU H 4.893 . 7.886 4.188 3.447 4.834 . 0 0 "[ . 1 . 2]" 1 733 1 45 ASP HB3 1 48 THR H 3.055 . 4.222 3.038 2.509 3.298 . 0 0 "[ . 1 . 2]" 1 734 1 45 ASP HB3 1 48 THR HB 2.520 . 3.314 2.297 1.666 3.268 0.060 6 0 "[ . 1 . 2]" 1 735 1 45 ASP HB3 1 49 SER H 3.275 . 4.616 3.494 2.883 4.322 . 0 0 "[ . 1 . 2]" 1 736 1 46 ALA H 1 46 ALA MB 2.745 . 3.687 2.227 2.157 2.279 . 0 0 "[ . 1 . 2]" 1 737 1 46 ALA H 1 47 GLU H 3.432 . 4.904 2.963 2.770 3.125 . 0 0 "[ . 1 . 2]" 1 738 1 46 ALA HA 1 46 ALA MB 1.868 . 2.304 2.120 2.110 2.124 . 0 0 "[ . 1 . 2]" 1 739 1 46 ALA HA 1 47 GLU H 3.330 . 4.716 3.585 3.528 3.607 . 0 0 "[ . 1 . 2]" 1 740 1 46 ALA MB 1 47 GLU H 2.416 . 3.146 2.120 2.022 2.273 . 0 0 "[ . 1 . 2]" 1 741 1 46 ALA MB 1 47 GLU QG 3.145 . 4.382 4.191 4.031 4.522 0.140 16 0 "[ . 1 . 2]" 1 742 1 47 GLU H 1 47 GLU HA 2.547 . 3.358 2.848 2.807 2.884 . 0 0 "[ . 1 . 2]" 1 743 1 47 GLU H 1 48 THR H 2.579 . 3.410 2.579 2.401 2.775 . 0 0 "[ . 1 . 2]" 1 744 1 47 GLU HA 1 47 GLU QG 2.216 . 2.739 2.497 2.133 2.637 . 0 0 "[ . 1 . 2]" 1 745 1 47 GLU HA 1 48 THR H 3.405 . 4.854 3.392 3.350 3.452 . 0 0 "[ . 1 . 2]" 1 746 1 47 GLU HA 2 21 GLN HE21 4.012 . 6.024 5.192 3.709 6.848 0.824 12 1 "[ . 1 + . 2]" 1 747 1 47 GLU QB 1 48 THR H 2.598 . 3.442 3.346 2.198 3.478 0.036 11 0 "[ . 1 . 2]" 1 748 1 47 GLU QG 2 15 LEU HB3 4.468 . 6.963 6.007 5.361 6.464 . 0 0 "[ . 1 . 2]" 1 749 1 48 THR H 1 48 THR HA 2.897 . 3.946 2.768 2.735 2.797 . 0 0 "[ . 1 . 2]" 1 750 1 48 THR H 1 48 THR HB 2.667 . 3.556 2.693 2.579 2.828 . 0 0 "[ . 1 . 2]" 1 751 1 48 THR H 1 48 THR MG 3.249 . 4.569 3.743 3.694 3.772 . 0 0 "[ . 1 . 2]" 1 752 1 48 THR H 1 51 LEU H 3.770 . 5.547 3.590 3.446 3.724 . 0 0 "[ . 1 . 2]" 1 753 1 48 THR H 1 51 LEU QD 4.709 . 7.481 4.205 4.016 4.414 . 0 0 "[ . 1 . 2]" 1 754 1 48 THR H 2 21 GLN H 3.042 . 4.199 4.275 3.871 4.374 0.175 15 0 "[ . 1 . 2]" 1 755 1 48 THR HA 1 48 THR MG 2.231 . 2.853 2.303 2.216 2.390 . 0 0 "[ . 1 . 2]" 1 756 1 48 THR HA 1 49 SER H 3.165 . 4.417 3.576 3.554 3.596 . 0 0 "[ . 1 . 2]" 1 757 1 48 THR HA 1 51 LEU QD 2.696 . 3.605 3.540 3.349 3.652 0.047 16 0 "[ . 1 . 2]" 1 758 1 48 THR HA 1 52 ILE H 3.689 . 5.390 4.279 4.019 4.769 . 0 0 "[ . 1 . 2]" 1 759 1 48 THR HA 2 20 ILE MD 3.123 . 4.342 2.688 1.809 3.055 0.095 13 0 "[ . 1 . 2]" 1 760 1 48 THR HA 2 20 ILE MD 3.118 . 4.333 2.380 1.787 2.770 0.116 13 0 "[ . 1 . 2]" 1 761 1 48 THR HB 1 48 THR MG 2.144 . 2.719 2.137 2.133 2.141 . 0 0 "[ . 1 . 2]" 1 762 1 48 THR HB 1 49 SER H 2.612 . 3.465 2.315 2.207 2.520 . 0 0 "[ . 1 . 2]" 1 763 1 48 THR HB 2 20 ILE MG 4.211 . 6.428 3.638 3.566 3.748 . 0 0 "[ . 1 . 2]" 1 764 1 48 THR MG 1 49 SER H 3.438 . 4.915 3.363 3.230 3.536 . 0 0 "[ . 1 . 2]" 1 765 1 48 THR MG 1 52 ILE MD 2.304 . 2.968 2.120 1.638 2.466 0.002 16 0 "[ . 1 . 2]" 1 766 1 48 THR MG 2 15 LEU QD 2.507 . 2.816 2.471 2.064 2.788 . 0 0 "[ . 1 . 2]" 1 767 1 48 THR MG 2 20 ILE MD 2.855 . 3.874 3.792 2.960 3.968 0.094 9 0 "[ . 1 . 2]" 1 768 1 48 THR MG 2 21 GLN H 4.117 . 6.236 4.029 3.719 4.290 . 0 0 "[ . 1 . 2]" 1 769 1 48 THR MG 2 20 ILE MG 2.239 . 2.866 1.960 1.826 2.092 . 0 0 "[ . 1 . 2]" 1 770 1 49 SER H 1 49 SER HA 2.617 . 3.473 2.815 2.786 2.848 . 0 0 "[ . 1 . 2]" 1 771 1 49 SER H 1 49 SER HB3 2.592 . 3.432 2.873 2.490 3.576 0.144 19 0 "[ . 1 . 2]" 1 772 1 49 SER H 1 50 LYS H 2.927 . 3.998 2.668 2.577 2.774 . 0 0 "[ . 1 . 2]" 1 773 1 49 SER H 1 51 LEU H 4.709 . 7.481 4.209 4.027 4.346 . 0 0 "[ . 1 . 2]" 1 774 1 49 SER HA 1 50 LYS H 2.967 . 4.067 3.531 3.499 3.589 . 0 0 "[ . 1 . 2]" 1 775 1 49 SER HA 1 52 ILE H 3.351 . 4.755 3.314 3.113 3.463 . 0 0 "[ . 1 . 2]" 1 776 1 49 SER HA 1 52 ILE HB 2.829 . 3.830 2.621 2.304 3.086 . 0 0 "[ . 1 . 2]" 1 777 1 49 SER HA 1 52 ILE MD 2.449 . 3.199 2.315 1.801 2.735 . 0 0 "[ . 1 . 2]" 1 778 1 49 SER HA 1 53 TYR H 3.982 . 5.964 3.906 3.706 4.171 . 0 0 "[ . 1 . 2]" 1 779 1 50 LYS H 1 50 LYS HA 2.857 . 3.877 2.803 2.775 2.830 . 0 0 "[ . 1 . 2]" 1 780 1 50 LYS H 1 51 LEU H 2.715 . 3.636 2.686 2.592 2.759 . 0 0 "[ . 1 . 2]" 1 781 1 50 LYS H 1 52 ILE H 2.966 . 4.066 3.763 3.691 3.848 . 0 0 "[ . 1 . 2]" 1 782 1 50 LYS HA 1 50 LYS HG2 2.665 . 3.553 3.094 2.812 3.278 . 0 0 "[ . 1 . 2]" 1 783 1 50 LYS HA 1 51 LEU H 3.169 . 4.425 3.527 3.476 3.554 . 0 0 "[ . 1 . 2]" 1 784 1 50 LYS HA 1 53 TYR H 3.737 . 5.483 3.579 3.258 3.946 . 0 0 "[ . 1 . 2]" 1 785 1 50 LYS HA 1 53 TYR HB2 3.412 . 4.867 3.801 3.210 4.662 . 0 0 "[ . 1 . 2]" 1 786 1 50 LYS HA 1 53 TYR HB3 2.658 . 3.541 2.988 2.367 3.423 . 0 0 "[ . 1 . 2]" 1 787 1 50 LYS HA 1 53 TYR QD 3.170 . 4.426 4.233 3.489 4.509 0.083 3 0 "[ . 1 . 2]" 1 788 1 50 LYS HA 1 53 TYR QE 4.143 . 6.289 5.633 4.984 6.025 . 0 0 "[ . 1 . 2]" 1 789 1 50 LYS HA 1 54 ASP H 3.737 . 5.483 4.092 3.809 4.378 . 0 0 "[ . 1 . 2]" 1 790 1 50 LYS HD2 1 50 LYS HE3 2.203 . 2.810 2.608 2.383 3.008 0.198 4 0 "[ . 1 . 2]" 1 791 1 50 LYS HD3 1 50 LYS HE3 2.299 . 2.959 2.801 2.419 3.014 0.055 18 0 "[ . 1 . 2]" 1 792 1 50 LYS HE3 1 50 LYS HG2 2.560 . 3.379 3.050 2.399 3.792 0.413 6 0 "[ . 1 . 2]" 1 793 1 50 LYS HE3 1 50 LYS HG3 2.426 . 3.161 2.731 2.287 3.694 0.533 19 1 "[ . 1 . +2]" 1 794 1 50 LYS HG2 1 53 TYR QD 3.841 . 5.685 5.006 3.606 5.684 . 0 0 "[ . 1 . 2]" 1 795 1 50 LYS HG3 1 51 LEU H 3.427 . 4.895 4.822 4.715 4.958 0.063 1 0 "[ . 1 . 2]" 1 796 1 51 LEU H 1 51 LEU HA 2.883 . 3.922 2.866 2.822 2.898 . 0 0 "[ . 1 . 2]" 1 797 1 51 LEU H 1 51 LEU HB3 2.955 . 4.047 3.568 3.412 3.612 . 0 0 "[ . 1 . 2]" 1 798 1 51 LEU H 1 51 LEU QD 3.298 . 4.658 3.087 2.327 3.323 . 0 0 "[ . 1 . 2]" 1 799 1 51 LEU H 1 51 LEU QD 3.020 . 4.160 2.947 2.307 3.193 . 0 0 "[ . 1 . 2]" 1 800 1 51 LEU H 1 52 ILE H 2.742 . 3.682 2.512 2.377 2.667 . 0 0 "[ . 1 . 2]" 1 801 1 51 LEU H 1 53 TYR H 3.948 . 5.896 4.093 3.875 4.325 . 0 0 "[ . 1 . 2]" 1 802 1 51 LEU HA 1 51 LEU HB2 2.600 . 3.445 2.993 2.925 3.011 . 0 0 "[ . 1 . 2]" 1 803 1 51 LEU HA 1 51 LEU HB3 2.406 . 3.129 2.556 2.476 2.734 . 0 0 "[ . 1 . 2]" 1 804 1 51 LEU HA 1 51 LEU QD . . 2.607 1.942 1.597 2.190 0.357 5 0 "[ . 1 . 2]" 1 805 1 51 LEU HA 1 51 LEU HG 2.483 . 3.254 2.967 2.510 3.510 0.256 10 0 "[ . 1 . 2]" 1 806 1 51 LEU HA 1 52 ILE H 3.679 . 5.370 3.532 3.496 3.567 . 0 0 "[ . 1 . 2]" 1 807 1 51 LEU HA 1 53 TYR H 4.709 . 7.481 4.303 4.079 4.533 . 0 0 "[ . 1 . 2]" 1 808 1 51 LEU HA 1 54 ASP H 3.090 . 4.284 3.079 2.726 3.511 . 0 0 "[ . 1 . 2]" 1 809 1 51 LEU HA 1 54 ASP HB2 3.199 . 4.478 3.032 2.348 3.786 . 0 0 "[ . 1 . 2]" 1 810 1 51 LEU HA 2 14 HIS HD2 4.305 . 6.621 4.163 3.708 4.815 . 0 0 "[ . 1 . 2]" 1 811 1 51 LEU HA 2 14 HIS HE1 4.535 . 7.106 6.144 5.309 6.570 . 0 0 "[ . 1 . 2]" 1 812 1 51 LEU HB2 1 51 LEU QD 2.749 . 2.779 2.226 2.100 2.319 . 0 0 "[ . 1 . 2]" 1 813 1 51 LEU HB2 1 52 ILE H 2.242 . 2.870 2.084 1.852 2.354 . 0 0 "[ . 1 . 2]" 1 814 1 51 LEU HB2 2 14 HIS HE1 5.756 . 9.897 7.444 6.710 7.742 . 0 0 "[ . 1 . 2]" 1 815 1 51 LEU HB2 2 15 LEU QD 3.094 . 3.472 2.350 1.869 2.779 0.028 15 0 "[ . 1 . 2]" 1 816 1 51 LEU HB3 1 51 LEU QD 2.475 . 3.241 2.156 2.078 2.472 . 0 0 "[ . 1 . 2]" 1 817 1 51 LEU HB3 1 52 ILE H 3.112 . 4.322 3.699 3.037 3.943 . 0 0 "[ . 1 . 2]" 1 818 1 51 LEU HB3 1 55 PHE H 5.286 . 8.778 4.490 4.375 4.668 . 0 0 "[ . 1 . 2]" 1 819 1 51 LEU HB3 2 14 HIS HE1 4.843 . 7.775 5.746 5.018 6.119 . 0 0 "[ . 1 . 2]" 1 820 1 51 LEU HB3 2 15 LEU QD 2.929 . 3.705 2.547 2.003 2.857 . 0 0 "[ . 1 . 2]" 1 821 1 51 LEU MD1 1 51 LEU MD2 1.879 . 2.320 2.077 2.053 2.096 . 0 0 "[ . 1 . 2]" 1 822 1 51 LEU QD 1 51 LEU HG 2.142 . 2.654 1.890 1.878 1.894 . 0 0 "[ . 1 . 2]" 1 823 1 51 LEU QD 1 53 TYR H 4.058 . 6.117 4.262 4.089 4.402 . 0 0 "[ . 1 . 2]" 1 824 1 51 LEU QD 1 53 TYR H 3.387 . 4.821 4.195 4.002 4.312 . 0 0 "[ . 1 . 2]" 1 825 1 51 LEU QD 1 55 PHE H 3.922 . 5.845 4.017 3.752 4.316 . 0 0 "[ . 1 . 2]" 1 826 1 51 LEU QD 1 55 PHE H 4.033 . 6.066 3.980 3.741 4.217 . 0 0 "[ . 1 . 2]" 1 827 1 51 LEU QD 2 18 HIS HD2 2.914 . 3.975 2.486 1.807 3.052 0.046 17 0 "[ . 1 . 2]" 1 828 1 51 LEU QD 2 14 HIS HE1 3.456 . 4.949 4.502 3.915 4.837 . 0 0 "[ . 1 . 2]" 1 829 1 51 LEU QD 2 14 HIS HE1 4.063 . 6.127 4.379 3.859 4.676 . 0 0 "[ . 1 . 2]" 1 830 1 51 LEU QD 2 15 LEU HA 3.975 . 5.580 3.247 2.045 4.009 . 0 0 "[ . 1 . 2]" 1 831 1 51 LEU QD 2 15 LEU QD 2.536 . 3.340 2.834 1.921 3.195 0.002 19 0 "[ . 1 . 2]" 1 832 1 51 LEU QD 2 17 GLU H 4.709 . 7.481 4.543 3.938 5.039 . 0 0 "[ . 1 . 2]" 1 833 1 51 LEU QD 2 18 HIS H 3.476 . 4.986 3.952 3.409 4.355 . 0 0 "[ . 1 . 2]" 1 834 1 51 LEU QD 2 19 GLY H 4.661 . 7.377 4.210 3.075 5.192 . 0 0 "[ . 1 . 2]" 1 835 1 51 LEU QD 2 18 HIS HB2 2.957 . 4.050 2.320 1.830 3.040 0.166 17 0 "[ . 1 . 2]" 1 836 1 51 LEU QD 2 18 HIS HB3 3.062 . 4.234 2.638 2.260 2.970 . 0 0 "[ . 1 . 2]" 1 837 1 51 LEU QD 2 18 HIS HD2 3.643 . 5.302 2.532 1.811 3.210 0.189 17 0 "[ . 1 . 2]" 1 838 1 51 LEU QD 2 18 HIS HE1 4.076 . 4.889 3.682 3.025 4.410 . 0 0 "[ . 1 . 2]" 1 839 1 51 LEU QD 2 20 ILE H 2.750 . 3.695 3.476 3.422 3.635 . 0 0 "[ . 1 . 2]" 1 840 1 51 LEU QD 2 20 ILE MD 3.597 . 3.877 1.614 1.307 1.959 0.673 3 4 "[ *+ . 1 - . *]" 1 841 1 51 LEU QD 2 20 ILE HG12 3.764 . 5.535 3.236 2.289 3.673 . 0 0 "[ . 1 . 2]" 1 842 1 51 LEU QD 2 20 ILE HG13 4.217 . 6.440 2.910 1.628 3.399 0.366 17 0 "[ . 1 . 2]" 1 843 1 51 LEU HG 2 14 HIS HE1 5.994 . 10.485 7.455 3.923 8.140 . 0 0 "[ . 1 . 2]" 1 844 1 52 ILE H 1 52 ILE HA 2.918 . 3.983 2.811 2.773 2.872 . 0 0 "[ . 1 . 2]" 1 845 1 52 ILE H 1 52 ILE MD 2.818 . 3.811 3.602 3.431 3.732 . 0 0 "[ . 1 . 2]" 1 846 1 52 ILE H 1 52 ILE MG 3.033 . 4.183 3.767 3.744 3.786 . 0 0 "[ . 1 . 2]" 1 847 1 52 ILE H 1 53 TYR H 2.909 . 3.967 2.728 2.495 2.853 . 0 0 "[ . 1 . 2]" 1 848 1 52 ILE H 2 15 LEU QD 2.541 . 3.348 2.950 2.593 3.295 . 0 0 "[ . 1 . 2]" 1 849 1 52 ILE HA 1 52 ILE MD 2.891 . 3.936 3.802 3.745 3.869 . 0 0 "[ . 1 . 2]" 1 850 1 52 ILE HA 1 52 ILE HG13 2.821 . 3.816 3.021 2.869 3.181 . 0 0 "[ . 1 . 2]" 1 851 1 52 ILE HA 1 52 ILE MG 2.369 . 3.071 2.392 2.296 2.476 . 0 0 "[ . 1 . 2]" 1 852 1 52 ILE HA 1 53 TYR H 4.183 . 6.370 3.556 3.531 3.581 . 0 0 "[ . 1 . 2]" 1 853 1 52 ILE HA 1 55 PHE H 3.475 . 4.984 3.290 2.999 3.446 . 0 0 "[ . 1 . 2]" 1 854 1 52 ILE HA 1 56 ILE H 4.117 . 6.235 4.120 3.847 4.283 . 0 0 "[ . 1 . 2]" 1 855 1 52 ILE HA 2 11 LEU QD 2.536 . 3.340 2.316 2.101 2.735 . 0 0 "[ . 1 . 2]" 1 856 1 52 ILE HA 2 14 HIS HD2 3.806 . 5.616 3.702 3.513 3.820 . 0 0 "[ . 1 . 2]" 1 857 1 52 ILE HA 2 15 LEU QD 3.326 . 4.709 3.035 2.444 3.532 . 0 0 "[ . 1 . 2]" 1 858 1 52 ILE HB 1 52 ILE MD 2.531 . 3.332 2.396 2.334 2.439 . 0 0 "[ . 1 . 2]" 1 859 1 52 ILE HB 1 52 ILE MG 2.293 . 2.950 2.127 2.123 2.130 . 0 0 "[ . 1 . 2]" 1 860 1 52 ILE HB 1 55 PHE H 3.422 . 4.886 4.145 3.935 4.295 . 0 0 "[ . 1 . 2]" 1 861 1 52 ILE MD 1 52 ILE HG12 2.286 . 2.939 2.108 2.096 2.115 . 0 0 "[ . 1 . 2]" 1 862 1 52 ILE MD 1 52 ILE HG13 2.326 . 3.002 2.110 2.099 2.117 . 0 0 "[ . 1 . 2]" 1 863 1 52 ILE MD 1 52 ILE MG 2.131 . 2.699 1.951 1.853 2.040 . 0 0 "[ . 1 . 2]" 1 864 1 52 ILE MD 2 11 LEU QD 3.219 . 3.854 2.889 2.460 3.078 . 0 0 "[ . 1 . 2]" 1 865 1 52 ILE MD 2 15 LEU QD 2.537 . 3.341 2.804 2.609 3.047 . 0 0 "[ . 1 . 2]" 1 866 1 52 ILE HG12 1 52 ILE MG 3.425 . 4.891 2.397 2.307 2.455 . 0 0 "[ . 1 . 2]" 1 867 1 52 ILE HG12 2 11 LEU QD 4.116 . 6.233 2.129 1.787 2.436 0.212 12 0 "[ . 1 . 2]" 1 868 1 52 ILE HG12 2 15 LEU QD 3.190 . 4.462 2.173 2.011 2.536 . 0 0 "[ . 1 . 2]" 1 869 1 52 ILE HG13 2 11 LEU QD 3.978 . 5.956 3.450 3.072 3.738 . 0 0 "[ . 1 . 2]" 1 870 1 52 ILE HG13 2 15 LEU QD 3.116 . 4.125 2.327 2.032 2.569 . 0 0 "[ . 1 . 2]" 1 871 1 52 ILE MG 1 53 TYR H 3.390 . 4.827 3.308 3.139 3.558 . 0 0 "[ . 1 . 2]" 1 872 1 52 ILE MG 1 53 TYR HA 3.256 . 4.581 3.368 3.164 3.640 . 0 0 "[ . 1 . 2]" 1 873 1 52 ILE MG 1 53 TYR QD 3.385 . 4.817 4.871 4.663 4.986 0.169 18 0 "[ . 1 . 2]" 1 874 1 52 ILE MG 1 55 PHE H 5.286 . 8.778 4.487 4.280 4.698 . 0 0 "[ . 1 . 2]" 1 875 1 52 ILE MG 1 55 PHE QD 2.900 . 3.951 3.170 2.830 3.521 . 0 0 "[ . 1 . 2]" 1 876 1 52 ILE MG 1 56 ILE MD 2.510 . 3.298 2.395 2.128 2.620 . 0 0 "[ . 1 . 2]" 1 877 1 52 ILE MG 2 11 LEU QD 2.638 . 3.355 2.053 1.764 2.307 0.004 4 0 "[ . 1 . 2]" 1 878 1 52 ILE MG 2 14 HIS HD2 3.685 . 5.382 5.417 5.235 5.486 0.104 3 0 "[ . 1 . 2]" 1 879 1 53 TYR H 1 53 TYR QD 3.756 . 5.519 4.177 4.094 4.227 . 0 0 "[ . 1 . 2]" 1 880 1 53 TYR HA 1 53 TYR HB2 2.746 . 3.688 2.454 2.357 2.561 . 0 0 "[ . 1 . 2]" 1 881 1 53 TYR HA 1 53 TYR HB3 2.610 . 3.462 3.024 3.011 3.030 . 0 0 "[ . 1 . 2]" 1 882 1 53 TYR HA 1 53 TYR QD 2.639 . 3.510 2.473 2.153 2.623 . 0 0 "[ . 1 . 2]" 1 883 1 53 TYR HA 1 53 TYR QE 3.386 . 4.819 4.515 4.328 4.641 . 0 0 "[ . 1 . 2]" 1 884 1 53 TYR HA 1 54 ASP H 3.770 . 5.546 3.533 3.516 3.553 . 0 0 "[ . 1 . 2]" 1 885 1 53 TYR HA 1 56 ILE H 3.077 . 4.261 3.256 2.945 3.538 . 0 0 "[ . 1 . 2]" 1 886 1 53 TYR HA 1 56 ILE HB 2.713 . 3.633 2.762 2.368 3.286 . 0 0 "[ . 1 . 2]" 1 887 1 53 TYR HA 1 56 ILE MD 2.609 . 3.460 2.428 2.154 2.831 . 0 0 "[ . 1 . 2]" 1 888 1 53 TYR HB2 1 53 TYR QD 2.588 . 3.425 2.582 2.509 2.700 . 0 0 "[ . 1 . 2]" 1 889 1 53 TYR HB2 2 14 HIS HE1 5.617 . 9.561 6.834 5.786 8.256 . 0 0 "[ . 1 . 2]" 1 890 1 53 TYR HB3 1 53 TYR QD 2.602 . 3.448 2.286 2.260 2.309 . 0 0 "[ . 1 . 2]" 1 891 1 53 TYR HB3 1 54 ASP H 2.769 . 3.728 2.523 2.331 2.724 . 0 0 "[ . 1 . 2]" 1 892 1 53 TYR QD 1 54 ASP H 3.520 . 5.069 3.644 3.251 4.078 . 0 0 "[ . 1 . 2]" 1 893 1 53 TYR QD 1 54 ASP HA 3.253 . 4.576 4.012 3.577 4.577 0.001 19 0 "[ . 1 . 2]" 1 894 1 53 TYR QD 1 56 ILE MD 3.058 . 4.227 3.100 2.455 3.676 . 0 0 "[ . 1 . 2]" 1 895 1 53 TYR QD 1 56 ILE MG 3.640 . 5.296 4.107 3.261 4.988 . 0 0 "[ . 1 . 2]" 1 896 1 53 TYR QD 1 65 VAL QG 4.643 . 7.337 5.734 5.291 6.048 . 0 0 "[ . 1 . 2]" 1 897 1 53 TYR QE 1 54 ASP HA 3.906 . 5.814 5.141 4.415 5.839 0.025 2 0 "[ . 1 . 2]" 1 898 1 53 TYR QE 1 57 GLU HA 4.254 . 6.516 4.989 4.526 5.460 . 0 0 "[ . 1 . 2]" 1 899 1 54 ASP H 1 54 ASP HA 2.815 . 3.806 2.792 2.759 2.836 . 0 0 "[ . 1 . 2]" 1 900 1 54 ASP H 1 54 ASP HB2 2.657 . 3.539 2.630 2.310 2.796 . 0 0 "[ . 1 . 2]" 1 901 1 54 ASP H 1 54 ASP HB3 2.725 . 3.653 2.389 2.202 2.732 . 0 0 "[ . 1 . 2]" 1 902 1 54 ASP H 1 55 PHE H 3.069 . 4.246 2.691 2.489 2.774 . 0 0 "[ . 1 . 2]" 1 903 1 54 ASP H 1 56 ILE H 4.709 . 7.481 4.286 4.134 4.593 . 0 0 "[ . 1 . 2]" 1 904 1 54 ASP HA 1 54 ASP HB2 2.593 . 3.433 2.400 2.326 2.594 . 0 0 "[ . 1 . 2]" 1 905 1 54 ASP HA 1 54 ASP HB3 2.466 . 3.226 3.020 3.001 3.033 . 0 0 "[ . 1 . 2]" 1 906 1 54 ASP HA 1 55 PHE H 3.505 . 5.040 3.504 3.453 3.534 . 0 0 "[ . 1 . 2]" 1 907 1 54 ASP HA 1 57 GLU HB2 2.619 . 3.476 3.091 2.098 3.575 0.099 17 0 "[ . 1 . 2]" 1 908 1 54 ASP HA 1 57 GLU HB3 3.291 . 4.644 3.326 2.622 4.081 . 0 0 "[ . 1 . 2]" 1 909 1 54 ASP HA 1 58 ASP H 3.601 . 5.222 4.057 3.730 4.584 . 0 0 "[ . 1 . 2]" 1 910 1 54 ASP HB2 1 55 PHE H 3.004 . 4.132 3.929 3.767 4.051 . 0 0 "[ . 1 . 2]" 1 911 1 54 ASP HB2 2 14 HIS HE1 4.638 . 7.327 6.241 5.751 7.196 . 0 0 "[ . 1 . 2]" 1 912 1 54 ASP HB3 1 55 PHE H 2.732 . 3.665 2.639 2.463 2.826 . 0 0 "[ . 1 . 2]" 1 913 1 54 ASP HB3 2 14 HIS HE1 4.185 . 6.374 5.174 4.637 5.571 . 0 0 "[ . 1 . 2]" 1 914 1 55 PHE H 1 55 PHE HA 2.952 . 4.042 2.794 2.761 2.837 . 0 0 "[ . 1 . 2]" 1 915 1 55 PHE H 1 55 PHE HB2 2.701 . 3.613 2.679 2.593 2.783 . 0 0 "[ . 1 . 2]" 1 916 1 55 PHE H 1 55 PHE HB3 2.641 . 3.513 2.303 2.230 2.384 . 0 0 "[ . 1 . 2]" 1 917 1 55 PHE H 1 55 PHE QD 3.619 . 5.256 4.103 4.039 4.148 . 0 0 "[ . 1 . 2]" 1 918 1 55 PHE H 1 56 ILE H 2.903 . 3.956 2.762 2.578 2.891 . 0 0 "[ . 1 . 2]" 1 919 1 55 PHE H 1 57 GLU H 3.208 . 4.495 4.004 3.871 4.264 . 0 0 "[ . 1 . 2]" 1 920 1 55 PHE H 1 57 GLU HB3 4.148 . 6.298 5.793 5.167 6.463 0.165 5 0 "[ . 1 . 2]" 1 921 1 55 PHE H 1 58 ASP H 3.579 . 5.180 3.755 3.622 3.862 . 0 0 "[ . 1 . 2]" 1 922 1 55 PHE HA 1 55 PHE HB2 2.486 . 3.259 2.366 2.348 2.400 . 0 0 "[ . 1 . 2]" 1 923 1 55 PHE HA 1 55 PHE QD 2.468 . 3.229 2.874 2.716 3.018 . 0 0 "[ . 1 . 2]" 1 924 1 55 PHE HA 1 55 PHE QE 3.580 . 5.182 4.801 4.706 4.888 . 0 0 "[ . 1 . 2]" 1 925 1 55 PHE HA 1 58 ASP H 2.981 . 4.092 3.474 3.312 3.618 . 0 0 "[ . 1 . 2]" 1 926 1 55 PHE HA 1 58 ASP HB2 2.452 . 3.204 3.225 2.780 3.604 0.400 13 0 "[ . 1 . 2]" 1 927 1 55 PHE HA 1 58 ASP HB3 2.687 . 3.590 2.610 2.293 3.181 . 0 0 "[ . 1 . 2]" 1 928 1 55 PHE HA 1 59 GLN HE22 5.123 . 8.404 3.683 3.136 4.067 . 0 0 "[ . 1 . 2]" 1 929 1 55 PHE HA 2 14 HIS HD2 3.742 . 5.492 3.732 3.063 4.491 . 0 0 "[ . 1 . 2]" 1 930 1 55 PHE HA 2 14 HIS HE1 4.386 . 6.791 3.968 2.968 5.172 . 0 0 "[ . 1 . 2]" 1 931 1 55 PHE HB2 1 55 PHE QD 2.636 . 3.504 2.443 2.386 2.510 . 0 0 "[ . 1 . 2]" 1 932 1 55 PHE HB2 1 56 ILE H 3.208 . 4.495 3.842 3.749 3.917 . 0 0 "[ . 1 . 2]" 1 933 1 55 PHE HB2 2 11 LEU QD 3.356 . 4.764 2.877 2.596 3.166 . 0 0 "[ . 1 . 2]" 1 934 1 55 PHE HB2 2 14 HIS HD2 2.928 . 3.999 2.178 1.826 2.752 0.031 1 0 "[ . 1 . 2]" 1 935 1 55 PHE HB2 2 14 HIS HE1 4.366 . 6.749 4.803 3.898 5.549 . 0 0 "[ . 1 . 2]" 1 936 1 55 PHE HB2 2 18 HIS HE1 5.519 . 9.326 6.845 5.894 7.609 . 0 0 "[ . 1 . 2]" 1 937 1 55 PHE HB3 1 56 ILE H 2.694 . 3.601 2.443 2.296 2.553 . 0 0 "[ . 1 . 2]" 1 938 1 55 PHE HB3 2 11 LEU QD 3.144 . 4.380 2.772 2.487 3.133 . 0 0 "[ . 1 . 2]" 1 939 1 55 PHE HB3 2 14 HIS HD2 3.929 . 5.858 3.577 3.209 4.029 . 0 0 "[ . 1 . 2]" 1 940 1 55 PHE QD 2 14 HIS HB2 4.110 . 6.221 2.520 2.254 2.880 . 0 0 "[ . 1 . 2]" 1 941 1 55 PHE QD 1 56 ILE H 3.601 . 5.222 2.843 2.541 3.041 . 0 0 "[ . 1 . 2]" 1 942 1 55 PHE QD 1 56 ILE MD 2.672 . 3.564 3.656 3.576 3.702 0.138 15 0 "[ . 1 . 2]" 1 943 1 55 PHE QD 2 11 LEU HA 2.974 . 4.080 3.279 2.999 3.661 . 0 0 "[ . 1 . 2]" 1 944 1 55 PHE QD 2 11 LEU QD . . 3.320 2.605 2.249 2.912 . 0 0 "[ . 1 . 2]" 1 945 1 55 PHE QD 2 14 HIS HA 5.269 . 8.739 4.924 4.660 5.356 . 0 0 "[ . 1 . 2]" 1 946 1 55 PHE QD 2 14 HIS HD2 4.943 . 7.997 3.693 2.808 4.265 . 0 0 "[ . 1 . 2]" 1 947 1 55 PHE QD 2 14 HIS HE1 4.230 . 6.466 4.734 3.752 5.601 . 0 0 "[ . 1 . 2]" 1 948 1 55 PHE QE 2 10 ARG HB3 4.881 . 7.859 2.678 1.934 3.600 . 0 0 "[ . 1 . 2]" 1 949 1 55 PHE QE 1 56 ILE HA 2.995 . 4.117 4.028 3.693 4.152 0.035 3 0 "[ . 1 . 2]" 1 950 1 55 PHE QE 1 59 GLN HA 3.894 . 5.789 4.891 4.579 5.219 . 0 0 "[ . 1 . 2]" 1 951 1 55 PHE QE 1 59 GLN HE21 4.112 . 6.225 3.351 2.594 4.946 . 0 0 "[ . 1 . 2]" 1 952 1 55 PHE QE 2 7 VAL HA 3.500 . 5.031 4.427 3.488 5.069 0.038 16 0 "[ . 1 . 2]" 1 953 1 55 PHE QE 2 7 VAL QG . . 3.158 2.291 2.026 2.475 . 0 0 "[ . 1 . 2]" 1 954 1 55 PHE QE 2 10 ARG H 4.058 . 6.116 4.690 4.291 5.314 . 0 0 "[ . 1 . 2]" 1 955 1 55 PHE QE 2 10 ARG HA 3.700 . 5.411 4.121 3.685 4.469 . 0 0 "[ . 1 . 2]" 1 956 1 55 PHE QE 2 10 ARG HB2 3.705 . 5.421 1.599 1.111 3.163 0.878 2 10 "[ +* * -* 1** ** *]" 1 957 1 55 PHE QE 2 10 ARG HD3 3.850 . 5.703 3.758 2.556 4.539 . 0 0 "[ . 1 . 2]" 1 958 1 55 PHE QE 2 11 LEU HA 2.791 . 3.765 3.076 2.720 3.491 . 0 0 "[ . 1 . 2]" 1 959 1 55 PHE QE 2 11 LEU HB2 3.854 . 5.710 3.576 2.644 4.465 . 0 0 "[ . 1 . 2]" 1 960 1 55 PHE QE 2 11 LEU QD . . 4.066 2.904 2.740 3.139 . 0 0 "[ . 1 . 2]" 1 961 1 55 PHE HZ 1 59 GLN HE21 3.449 . 4.936 4.311 3.392 5.029 0.093 13 0 "[ . 1 . 2]" 1 962 1 55 PHE HZ 1 59 GLN HE21 4.191 . 6.386 3.914 3.301 4.448 . 0 0 "[ . 1 . 2]" 1 963 1 55 PHE HZ 1 59 GLN HE22 3.433 . 4.906 4.671 3.882 4.995 0.089 2 0 "[ . 1 . 2]" 1 964 1 55 PHE HZ 1 59 GLN HG3 2.900 . 3.951 3.256 2.831 4.666 0.715 16 1 "[ . 1 .+ 2]" 1 965 1 55 PHE HZ 1 65 VAL QG 3.269 . 4.605 3.385 3.177 3.574 . 0 0 "[ . 1 . 2]" 1 966 1 55 PHE HZ 2 7 VAL HA 3.078 . 4.262 3.281 2.055 4.101 . 0 0 "[ . 1 . 2]" 1 967 1 55 PHE HZ 2 7 VAL QG 2.584 . 3.419 1.699 1.635 1.861 0.364 10 0 "[ . 1 . 2]" 1 968 1 55 PHE HZ 2 8 ALA HA 4.199 . 6.403 4.925 4.276 5.578 . 0 0 "[ . 1 . 2]" 1 969 1 55 PHE HZ 2 10 ARG HA 3.454 . 4.946 5.000 4.842 5.076 0.130 2 0 "[ . 1 . 2]" 1 970 1 55 PHE HZ 2 10 ARG HB2 4.350 . 6.715 3.008 2.456 3.643 . 0 0 "[ . 1 . 2]" 1 971 1 55 PHE HZ 2 10 ARG HB3 3.956 . 5.913 2.641 2.185 3.117 . 0 0 "[ . 1 . 2]" 1 972 1 55 PHE HZ 2 10 ARG HD3 3.859 . 5.721 4.905 2.747 5.925 0.204 4 0 "[ . 1 . 2]" 1 973 1 55 PHE HZ 2 10 ARG QG 3.046 . 4.206 3.137 2.466 4.067 . 0 0 "[ . 1 . 2]" 1 974 1 55 PHE HZ 2 11 LEU HA 3.325 . 4.707 3.949 3.603 4.231 . 0 0 "[ . 1 . 2]" 1 975 1 56 ILE H 1 56 ILE HA 2.668 . 3.558 2.798 2.778 2.821 . 0 0 "[ . 1 . 2]" 1 976 1 56 ILE H 1 56 ILE MD 3.158 . 4.404 3.472 3.423 3.533 . 0 0 "[ . 1 . 2]" 1 977 1 56 ILE H 1 56 ILE HG12 2.851 . 3.867 3.346 3.183 3.544 . 0 0 "[ . 1 . 2]" 1 978 1 56 ILE H 1 56 ILE HG13 2.172 . 2.762 2.036 1.906 2.192 . 0 0 "[ . 1 . 2]" 1 979 1 56 ILE H 1 56 ILE MG 3.004 . 4.132 3.739 3.721 3.752 . 0 0 "[ . 1 . 2]" 1 980 1 56 ILE HA 1 56 ILE HB 2.933 . 4.008 3.021 3.012 3.027 . 0 0 "[ . 1 . 2]" 1 981 1 56 ILE HA 1 56 ILE MD 2.791 . 3.765 3.812 3.794 3.833 0.068 7 0 "[ . 1 . 2]" 1 982 1 56 ILE HA 1 56 ILE HG12 2.776 . 3.740 2.503 2.470 2.562 . 0 0 "[ . 1 . 2]" 1 983 1 56 ILE HA 1 56 ILE MG 2.327 . 3.004 2.432 2.347 2.515 . 0 0 "[ . 1 . 2]" 1 984 1 56 ILE HA 1 57 GLU H 3.839 . 5.682 3.532 3.499 3.559 . 0 0 "[ . 1 . 2]" 1 985 1 56 ILE HA 1 59 GLN H 3.784 . 5.574 3.508 3.369 3.834 . 0 0 "[ . 1 . 2]" 1 986 1 56 ILE HA 1 65 VAL QG 3.004 . 4.132 2.240 1.942 2.714 . 0 0 "[ . 1 . 2]" 1 987 1 56 ILE HB 1 56 ILE MD 2.400 . 3.120 2.412 2.382 2.447 . 0 0 "[ . 1 . 2]" 1 988 1 56 ILE HB 1 56 ILE MG 2.164 . 2.749 2.129 2.125 2.134 . 0 0 "[ . 1 . 2]" 1 989 1 56 ILE MD 1 56 ILE HG12 2.172 . 2.762 2.111 2.107 2.116 . 0 0 "[ . 1 . 2]" 1 990 1 56 ILE MD 1 56 ILE HG13 2.315 . 2.985 2.114 2.112 2.119 . 0 0 "[ . 1 . 2]" 1 991 1 56 ILE HG12 1 56 ILE MG 2.605 . 3.453 2.356 2.331 2.385 . 0 0 "[ . 1 . 2]" 1 992 1 56 ILE HG13 1 56 ILE MG 2.646 . 3.521 3.200 3.192 3.208 . 0 0 "[ . 1 . 2]" 1 993 1 56 ILE MG 1 57 GLU H 3.023 . 4.165 3.398 3.184 3.612 . 0 0 "[ . 1 . 2]" 1 994 1 56 ILE MG 1 59 GLN H 4.709 . 7.481 4.609 4.497 4.747 . 0 0 "[ . 1 . 2]" 1 995 1 56 ILE MG 1 61 GLY H 3.305 . 4.670 3.502 3.013 3.863 . 0 0 "[ . 1 . 2]" 1 996 1 56 ILE MG 1 61 GLY HA2 2.716 . 3.638 2.841 2.105 3.524 . 0 0 "[ . 1 . 2]" 1 997 1 56 ILE MG 1 61 GLY HA3 3.096 . 4.294 4.028 3.523 4.393 0.099 12 0 "[ . 1 . 2]" 1 998 1 56 ILE MG 1 62 LEU H 2.998 . 4.121 3.306 2.870 3.738 . 0 0 "[ . 1 . 2]" 1 999 1 56 ILE MG 1 62 LEU HA 2.464 . 3.223 2.222 1.813 2.502 . 0 0 "[ . 1 . 2]" 1 1000 1 56 ILE MG 1 62 LEU HB3 3.024 . 4.167 4.018 3.419 4.322 0.155 13 0 "[ . 1 . 2]" 1 1001 1 56 ILE MG 1 62 LEU QD 2.219 . 2.835 1.714 1.530 2.018 0.073 1 0 "[ . 1 . 2]" 1 1002 1 56 ILE MG 1 65 VAL HB 3.400 . 4.845 3.709 2.791 4.861 0.016 2 0 "[ . 1 . 2]" 1 1003 1 57 GLU H 1 58 ASP H 2.703 . 3.616 2.611 2.438 2.826 . 0 0 "[ . 1 . 2]" 1 1004 1 57 GLU H 1 59 GLN H 3.074 . 4.256 4.129 3.984 4.328 0.072 1 0 "[ . 1 . 2]" 1 1005 1 57 GLU HA 1 57 GLU HG2 2.885 . 3.925 2.996 2.277 3.775 . 0 0 "[ . 1 . 2]" 1 1006 1 57 GLU HA 1 57 GLU HG3 2.856 . 3.876 2.996 2.363 3.753 . 0 0 "[ . 1 . 2]" 1 1007 1 57 GLU HA 1 58 ASP H 3.079 . 4.264 3.508 3.407 3.550 . 0 0 "[ . 1 . 2]" 1 1008 1 57 GLU HA 1 61 GLY H 2.760 . 3.712 3.166 2.532 3.647 . 0 0 "[ . 1 . 2]" 1 1009 1 57 GLU HA 1 61 GLY HA2 2.816 . 3.807 2.729 2.188 3.069 . 0 0 "[ . 1 . 2]" 1 1010 1 57 GLU HA 1 61 GLY HA3 3.030 . 4.177 4.207 3.863 4.330 0.153 14 0 "[ . 1 . 2]" 1 1011 1 57 GLU HB3 1 60 GLY H 3.848 . 5.699 4.130 3.867 4.459 . 0 0 "[ . 1 . 2]" 1 1012 1 57 GLU HB3 1 61 GLY H 3.716 . 5.442 4.518 4.254 5.147 . 0 0 "[ . 1 . 2]" 1 1013 1 57 GLU HB3 1 58 ASP H 2.383 . 3.093 2.940 2.508 3.461 0.368 5 0 "[ . 1 . 2]" 1 1014 1 58 ASP H 1 58 ASP HA 2.658 . 3.541 2.795 2.752 2.845 . 0 0 "[ . 1 . 2]" 1 1015 1 58 ASP H 1 58 ASP HB2 2.508 . 3.294 2.544 2.424 2.671 . 0 0 "[ . 1 . 2]" 1 1016 1 58 ASP H 1 58 ASP HB3 2.633 . 3.499 2.487 2.391 2.635 . 0 0 "[ . 1 . 2]" 1 1017 1 58 ASP H 1 59 GLN H 2.961 . 4.057 2.709 2.575 2.836 . 0 0 "[ . 1 . 2]" 1 1018 1 58 ASP HA 1 58 ASP HB2 2.322 . 2.996 2.436 2.384 2.507 . 0 0 "[ . 1 . 2]" 1 1019 1 58 ASP HA 1 58 ASP HB3 2.215 . 2.828 3.020 3.005 3.026 0.198 3 0 "[ . 1 . 2]" 1 1020 1 58 ASP HA 1 59 GLN H 3.396 . 4.838 3.514 3.492 3.544 . 0 0 "[ . 1 . 2]" 1 1021 1 58 ASP HA 1 60 GLY H 2.584 . 3.419 2.861 2.817 2.896 . 0 0 "[ . 1 . 2]" 1 1022 1 58 ASP HB2 1 59 GLN H 3.405 . 4.854 3.999 3.796 4.130 . 0 0 "[ . 1 . 2]" 1 1023 1 58 ASP HB2 1 59 GLN HE21 4.265 . 6.538 5.013 4.081 6.966 0.428 2 0 "[ . 1 . 2]" 1 1024 1 58 ASP HB2 1 59 GLN HE22 4.451 . 6.927 5.427 3.915 6.636 . 0 0 "[ . 1 . 2]" 1 1025 1 58 ASP HB2 2 14 HIS HD2 5.047 . 8.231 6.347 5.678 7.412 . 0 0 "[ . 1 . 2]" 1 1026 1 58 ASP HB3 1 59 GLN H 3.392 . 4.830 2.773 2.577 2.916 . 0 0 "[ . 1 . 2]" 1 1027 1 58 ASP HB3 1 59 GLN HE21 4.698 . 7.457 3.366 2.420 5.308 . 0 0 "[ . 1 . 2]" 1 1028 1 58 ASP HB3 1 59 GLN HE22 4.226 . 6.459 3.933 2.261 5.074 . 0 0 "[ . 1 . 2]" 1 1029 1 59 GLN H 1 59 GLN HA 2.945 . 4.029 2.871 2.830 2.904 . 0 0 "[ . 1 . 2]" 1 1030 1 59 GLN H 1 59 GLN HB2 2.910 . 3.969 2.508 2.177 2.673 . 0 0 "[ . 1 . 2]" 1 1031 1 59 GLN H 1 59 GLN HB3 2.860 . 3.883 3.615 3.484 3.659 . 0 0 "[ . 1 . 2]" 1 1032 1 59 GLN H 1 59 GLN HE21 3.522 . 5.072 3.638 2.664 4.441 . 0 0 "[ . 1 . 2]" 1 1033 1 59 GLN H 1 59 GLN HE22 3.941 . 5.883 4.519 3.216 5.258 . 0 0 "[ . 1 . 2]" 1 1034 1 59 GLN H 1 59 GLN HG2 2.752 . 3.699 2.631 2.021 4.255 0.556 1 1 "[+ . 1 . 2]" 1 1035 1 59 GLN H 1 59 GLN HG3 3.115 . 4.328 3.763 3.566 4.333 0.005 8 0 "[ . 1 . 2]" 1 1036 1 59 GLN H 1 60 GLY H 2.391 . 3.106 2.505 2.374 2.639 . 0 0 "[ . 1 . 2]" 1 1037 1 59 GLN H 1 60 GLY HA2 4.013 . 6.026 4.942 4.816 5.070 . 0 0 "[ . 1 . 2]" 1 1038 1 59 GLN H 1 61 GLY H 3.199 . 4.478 3.579 3.400 3.810 . 0 0 "[ . 1 . 2]" 1 1039 1 59 GLN H 1 65 VAL QG 3.761 . 5.529 4.048 3.628 4.556 . 0 0 "[ . 1 . 2]" 1 1040 1 59 GLN HA 1 59 GLN HE21 4.602 . 7.249 3.767 2.395 4.448 . 0 0 "[ . 1 . 2]" 1 1041 1 59 GLN HA 1 60 GLY H 2.947 . 4.032 3.366 3.254 3.449 . 0 0 "[ . 1 . 2]" 1 1042 1 59 GLN HB2 1 59 GLN HE21 4.604 . 7.253 3.196 1.642 4.033 0.313 1 0 "[ . 1 . 2]" 1 1043 1 59 GLN HB2 1 59 GLN HG3 2.568 . 3.392 2.566 2.405 3.004 . 0 0 "[ . 1 . 2]" 1 1044 1 59 GLN HB2 1 60 GLY H 3.680 . 5.372 3.320 2.930 3.683 . 0 0 "[ . 1 . 2]" 1 1045 1 59 GLN HB2 1 61 GLY H 3.800 . 5.605 3.193 2.573 3.632 . 0 0 "[ . 1 . 2]" 1 1046 1 59 GLN HB2 1 65 VAL QG 2.618 . 3.475 2.442 1.911 2.952 . 0 0 "[ . 1 . 2]" 1 1047 1 59 GLN HB3 1 59 GLN HG3 2.758 . 3.709 2.406 2.248 2.612 . 0 0 "[ . 1 . 2]" 1 1048 1 59 GLN HB3 1 60 GLY H 3.960 . 5.920 4.145 3.869 4.372 . 0 0 "[ . 1 . 2]" 1 1049 1 59 GLN HB3 1 61 GLY H 3.751 . 5.510 4.343 3.847 4.950 . 0 0 "[ . 1 . 2]" 1 1050 1 59 GLN HE21 1 59 GLN HG2 3.102 . 4.305 2.405 2.177 3.504 . 0 0 "[ . 1 . 2]" 1 1051 1 59 GLN HG3 1 65 VAL QG 3.217 . 4.510 2.651 1.845 4.330 0.079 12 0 "[ . 1 . 2]" 1 1052 1 59 GLN HG3 2 7 VAL QG 3.839 . 5.681 3.005 2.293 4.984 . 0 0 "[ . 1 . 2]" 1 1053 1 60 GLY H 1 60 GLY HA2 2.392 . 3.107 2.470 2.437 2.479 . 0 0 "[ . 1 . 2]" 1 1054 1 60 GLY H 1 61 GLY H 2.540 . 3.346 2.177 1.969 2.603 . 0 0 "[ . 1 . 2]" 1 1055 1 60 GLY H 1 61 GLY HA3 4.709 . 7.481 4.731 4.655 4.913 . 0 0 "[ . 1 . 2]" 1 1056 1 60 GLY H 1 64 ALA MB 3.705 . 5.421 3.883 3.613 4.127 . 0 0 "[ . 1 . 2]" 1 1057 1 60 GLY HA2 1 64 ALA MB 3.097 . 4.296 4.113 3.791 4.357 0.061 11 0 "[ . 1 . 2]" 1 1058 1 60 GLY HA3 1 61 GLY H 3.153 . 4.396 3.225 2.965 3.442 . 0 0 "[ . 1 . 2]" 1 1059 1 60 GLY HA3 1 64 ALA MB 2.595 . 3.437 2.831 2.490 3.055 . 0 0 "[ . 1 . 2]" 1 1060 1 61 GLY H 1 61 GLY HA2 2.507 . 3.293 2.518 2.402 2.659 . 0 0 "[ . 1 . 2]" 1 1061 1 61 GLY H 1 61 GLY HA3 2.785 . 3.754 2.942 2.910 2.951 . 0 0 "[ . 1 . 2]" 1 1062 1 61 GLY H 1 62 LEU H 3.493 . 5.018 4.449 4.395 4.517 . 0 0 "[ . 1 . 2]" 1 1063 1 61 GLY H 1 62 LEU QD 3.546 . 5.118 3.691 3.098 4.141 . 0 0 "[ . 1 . 2]" 1 1064 1 61 GLY H 1 64 ALA MB 3.515 . 5.060 2.924 2.302 3.435 . 0 0 "[ . 1 . 2]" 1 1065 1 61 GLY HA2 1 62 LEU H 2.749 . 3.694 2.652 2.495 2.846 . 0 0 "[ . 1 . 2]" 1 1066 1 61 GLY HA2 1 63 GLU H 4.710 . 7.484 4.741 4.390 5.101 . 0 0 "[ . 1 . 2]" 1 1067 1 61 GLY HA3 1 62 LEU H 2.796 . 3.773 2.456 2.301 2.599 . 0 0 "[ . 1 . 2]" 1 1068 1 61 GLY HA3 1 63 GLU H 4.058 . 6.116 3.722 3.365 4.132 . 0 0 "[ . 1 . 2]" 1 1069 1 62 LEU H 1 62 LEU HA 2.760 . 3.713 2.815 2.762 2.877 . 0 0 "[ . 1 . 2]" 1 1070 1 62 LEU H 1 62 LEU HB2 2.735 . 3.670 2.432 2.274 2.629 . 0 0 "[ . 1 . 2]" 1 1071 1 62 LEU H 1 62 LEU HB3 2.568 . 3.392 2.639 2.001 3.318 . 0 0 "[ . 1 . 2]" 1 1072 1 62 LEU H 1 62 LEU QD 2.978 . 4.086 2.653 1.878 3.632 . 0 0 "[ . 1 . 2]" 1 1073 1 62 LEU HA 1 62 LEU HB2 2.552 . 3.366 2.958 2.500 3.017 . 0 0 "[ . 1 . 2]" 1 1074 1 62 LEU HA 1 62 LEU HB3 2.507 . 3.292 2.556 2.384 3.010 . 0 0 "[ . 1 . 2]" 1 1075 1 62 LEU HA 1 62 LEU QD . . 2.586 2.205 1.805 2.609 0.023 6 0 "[ . 1 . 2]" 1 1076 1 62 LEU HA 1 62 LEU HG 2.676 . 3.571 2.944 2.450 3.657 0.086 4 0 "[ . 1 . 2]" 1 1077 1 62 LEU HA 1 63 GLU H 3.449 . 4.936 3.529 3.495 3.566 . 0 0 "[ . 1 . 2]" 1 1078 1 62 LEU HB2 1 62 LEU QD 1.980 . 2.470 2.210 2.118 2.297 . 0 0 "[ . 1 . 2]" 1 1079 1 62 LEU HB2 1 62 LEU HG 2.207 . 2.816 2.712 2.443 3.026 0.210 11 0 "[ . 1 . 2]" 1 1080 1 62 LEU HB2 1 63 GLU H 2.778 . 3.742 2.688 2.153 3.922 0.180 19 0 "[ . 1 . 2]" 1 1081 1 62 LEU HB2 1 65 VAL H 3.091 . 4.285 3.877 3.579 4.187 . 0 0 "[ . 1 . 2]" 1 1082 1 62 LEU HB3 1 63 GLU H 2.876 . 3.910 3.427 2.695 3.818 . 0 0 "[ . 1 . 2]" 1 1083 1 62 LEU QD 1 62 LEU HG 2.118 . 2.679 1.894 1.890 1.897 . 0 0 "[ . 1 . 2]" 1 1084 1 62 LEU QD 1 63 GLU H 3.346 . 4.745 3.899 3.641 4.144 . 0 0 "[ . 1 . 2]" 1 1085 1 62 LEU QD 1 64 ALA H 2.915 . 3.977 3.768 3.471 3.955 . 0 0 "[ . 1 . 2]" 1 1086 1 63 GLU H 1 63 GLU HA 2.849 . 3.864 2.813 2.773 2.866 . 0 0 "[ . 1 . 2]" 1 1087 1 63 GLU H 1 63 GLU HB2 2.428 . 3.165 2.561 2.286 3.070 . 0 0 "[ . 1 . 2]" 1 1088 1 63 GLU H 1 63 GLU HG3 2.721 . 3.647 3.135 1.995 4.471 0.824 19 1 "[ . 1 . +2]" 1 1089 1 63 GLU H 1 64 ALA H 2.688 . 3.591 2.625 2.478 2.825 . 0 0 "[ . 1 . 2]" 1 1090 1 63 GLU H 1 65 VAL H 3.568 . 5.159 4.506 4.084 5.177 0.018 12 0 "[ . 1 . 2]" 1 1091 1 63 GLU HA 1 64 ALA H 2.657 . 3.540 2.708 2.672 2.742 . 0 0 "[ . 1 . 2]" 1 1092 1 63 GLU HA 1 67 GLN H 3.112 . 4.323 3.387 3.216 3.547 . 0 0 "[ . 1 . 2]" 1 1093 1 63 GLU HA 1 66 ARG H 2.881 . 3.919 3.561 3.233 3.843 . 0 0 "[ . 1 . 2]" 1 1094 1 63 GLU HA 1 66 ARG QD 2.250 . 2.883 2.332 1.653 2.880 . 0 0 "[ . 1 . 2]" 1 1095 1 63 GLU HA 1 66 ARG QD 2.679 . 3.576 2.196 1.646 2.600 0.136 10 0 "[ . 1 . 2]" 1 1096 1 63 GLU HA 1 66 ARG HG2 3.171 . 4.428 4.514 3.742 5.041 0.613 11 2 "[ . 1+ - . 2]" 1 1097 1 63 GLU QB 1 63 GLU HG2 1.659 . 2.003 2.132 1.989 2.290 0.287 13 0 "[ . 1 . 2]" 1 1098 1 63 GLU HB2 1 64 ALA H 2.504 . 3.288 2.981 2.657 4.141 0.853 19 1 "[ . 1 . +2]" 1 1099 1 64 ALA H 1 64 ALA MB 2.255 . 2.891 2.237 2.221 2.265 . 0 0 "[ . 1 . 2]" 1 1100 1 64 ALA H 1 65 VAL H 2.398 . 3.117 2.693 2.392 2.980 . 0 0 "[ . 1 . 2]" 1 1101 1 64 ALA H 1 66 ARG H 3.737 . 5.483 3.972 3.660 4.194 . 0 0 "[ . 1 . 2]" 1 1102 1 64 ALA HA 1 65 VAL H 2.751 . 3.697 3.554 3.501 3.601 . 0 0 "[ . 1 . 2]" 1 1103 1 64 ALA HA 1 67 GLN QB 2.374 . 3.078 2.994 2.650 3.140 0.062 17 0 "[ . 1 . 2]" 1 1104 1 64 ALA MB 1 65 VAL H 2.607 . 3.456 2.430 2.240 2.564 . 0 0 "[ . 1 . 2]" 1 1105 1 64 ALA MB 1 67 GLN H 4.393 . 6.805 4.481 4.377 4.604 . 0 0 "[ . 1 . 2]" 1 1106 1 65 VAL H 1 65 VAL HA 2.539 . 3.345 2.831 2.791 2.874 . 0 0 "[ . 1 . 2]" 1 1107 1 65 VAL H 1 66 ARG H 2.736 . 3.672 2.567 2.311 2.719 . 0 0 "[ . 1 . 2]" 1 1108 1 65 VAL HA 1 65 VAL HB 2.561 . 3.381 2.745 2.263 3.030 . 0 0 "[ . 1 . 2]" 1 1109 1 65 VAL HA 1 65 VAL QG 2.056 . 2.584 2.254 2.116 2.519 . 0 0 "[ . 1 . 2]" 1 1110 1 65 VAL HA 1 68 GLU H 2.733 . 3.667 3.132 2.836 3.470 . 0 0 "[ . 1 . 2]" 1 1111 1 65 VAL HA 1 68 GLU HB2 2.336 . 3.018 2.917 2.539 3.079 0.061 7 0 "[ . 1 . 2]" 1 1112 1 65 VAL HA 2 7 VAL QG 2.553 . 3.368 2.579 2.144 3.041 . 0 0 "[ . 1 . 2]" 1 1113 1 65 VAL HB 1 65 VAL QG 2.009 . 2.514 1.892 1.878 1.899 . 0 0 "[ . 1 . 2]" 1 1114 1 65 VAL QG 1 66 ARG H 2.813 . 3.802 2.868 2.263 3.321 . 0 0 "[ . 1 . 2]" 1 1115 1 65 VAL QG 1 69 MET H 4.421 . 6.864 4.589 3.909 5.079 . 0 0 "[ . 1 . 2]" 1 1116 1 65 VAL QG 1 69 MET ME 2.876 . 3.910 3.659 3.026 4.027 0.117 6 0 "[ . 1 . 2]" 1 1117 1 65 VAL QG 2 7 VAL QG 2.354 . 3.046 1.969 1.537 2.521 0.281 15 0 "[ . 1 . 2]" 1 1118 1 66 ARG H 1 66 ARG HA 2.671 . 3.563 2.820 2.791 2.856 . 0 0 "[ . 1 . 2]" 1 1119 1 66 ARG H 1 66 ARG QD 3.893 . 5.787 3.775 3.550 4.199 . 0 0 "[ . 1 . 2]" 1 1120 1 66 ARG H 1 67 GLN H 2.671 . 3.563 2.572 2.406 2.701 . 0 0 "[ . 1 . 2]" 1 1121 1 66 ARG HA 1 66 ARG HG2 2.587 . 3.423 2.588 2.455 3.054 . 0 0 "[ . 1 . 2]" 1 1122 1 66 ARG HA 1 66 ARG HG3 2.285 . 2.938 3.038 2.578 3.361 0.423 12 0 "[ . 1 . 2]" 1 1123 1 66 ARG HA 1 67 GLN H 3.295 . 4.652 3.477 3.424 3.509 . 0 0 "[ . 1 . 2]" 1 1124 1 66 ARG HA 1 69 MET H 3.241 . 4.554 3.868 3.438 4.557 0.003 14 0 "[ . 1 . 2]" 1 1125 1 66 ARG HA 1 69 MET ME 3.288 . 4.639 3.966 3.593 4.509 . 0 0 "[ . 1 . 2]" 1 1126 1 66 ARG HA 1 70 ARG H 4.709 . 7.481 5.817 5.078 6.704 . 0 0 "[ . 1 . 2]" 1 1127 1 66 ARG HB2 1 67 GLN H 2.558 . 3.376 2.924 2.659 3.840 0.464 9 0 "[ . 1 . 2]" 1 1128 1 66 ARG HB3 1 68 GLU H 2.920 . 3.986 4.026 3.728 4.283 0.297 12 0 "[ . 1 . 2]" 1 1129 1 66 ARG QD 1 67 GLN H 4.590 . 7.223 4.690 4.293 4.942 . 0 0 "[ . 1 . 2]" 1 1130 1 66 ARG HG2 1 67 GLN H 3.620 . 5.258 5.009 4.277 5.225 . 0 0 "[ . 1 . 2]" 1 1131 1 67 GLN H 1 67 GLN HA 2.732 . 3.665 2.879 2.838 2.916 . 0 0 "[ . 1 . 2]" 1 1132 1 67 GLN H 1 67 GLN QB 2.349 . 3.039 2.401 2.284 2.480 . 0 0 "[ . 1 . 2]" 1 1133 1 67 GLN H 1 67 GLN HG3 2.562 . 3.382 2.819 2.194 3.894 0.512 9 1 "[ . +1 . 2]" 1 1134 1 67 GLN H 1 69 MET H 2.923 . 3.991 3.997 3.843 4.108 0.117 11 0 "[ . 1 . 2]" 1 1135 1 67 GLN H 1 70 ARG H 3.191 . 4.464 4.287 3.946 4.566 0.102 11 0 "[ . 1 . 2]" 1 1136 1 67 GLN HA 1 67 GLN QB 1.855 . 2.285 2.373 2.341 2.421 0.136 9 0 "[ . 1 . 2]" 1 1137 1 67 GLN HA 1 67 GLN QG 2.245 . 2.875 2.528 2.340 2.936 0.061 4 0 "[ . 1 . 2]" 1 1138 1 67 GLN HA 1 67 GLN HG3 2.373 . 3.077 3.199 2.777 3.789 0.712 19 5 "[* -. *1 . * +2]" 1 1139 1 67 GLN HA 1 69 MET H 4.709 . 7.481 3.884 3.546 4.214 . 0 0 "[ . 1 . 2]" 1 1140 1 67 GLN HA 1 70 ARG H 3.279 . 4.623 3.576 3.204 3.938 . 0 0 "[ . 1 . 2]" 1 1141 1 67 GLN HA 1 70 ARG QD 2.723 . 3.650 3.279 2.345 3.714 0.064 3 0 "[ . 1 . 2]" 1 1142 1 67 GLN HB2 1 68 GLU H 2.134 . 2.703 2.408 2.265 2.534 . 0 0 "[ . 1 . 2]" 1 1143 1 67 GLN HE21 1 67 GLN HG3 3.486 . 5.005 2.854 2.201 3.490 . 0 0 "[ . 1 . 2]" 1 1144 1 67 GLN HE22 1 67 GLN QG 2.822 . 3.818 2.488 2.140 3.098 . 0 0 "[ . 1 . 2]" 1 1145 1 68 GLU H 1 68 GLU HA 2.535 . 3.338 2.795 2.737 2.838 . 0 0 "[ . 1 . 2]" 1 1146 1 68 GLU H 1 68 GLU HG2 2.348 . 3.037 2.365 1.655 3.132 0.095 8 0 "[ . 1 . 2]" 1 1147 1 68 GLU H 1 69 MET H 2.451 . 3.202 2.671 2.552 2.822 . 0 0 "[ . 1 . 2]" 1 1148 1 68 GLU HA 1 69 MET H 2.915 . 3.977 3.464 3.404 3.520 . 0 0 "[ . 1 . 2]" 1 1149 1 68 GLU HA 1 70 ARG H 3.515 . 5.060 3.760 3.348 4.210 . 0 0 "[ . 1 . 2]" 1 1150 1 68 GLU HA 1 71 ARG H 3.217 . 4.510 2.938 2.472 3.381 . 0 0 "[ . 1 . 2]" 1 1151 1 68 GLU HA 1 71 ARG QD 2.301 . 2.963 2.867 2.358 3.088 0.125 11 0 "[ . 1 . 2]" 1 1152 1 68 GLU HA 1 72 GLN H 3.265 . 4.597 2.464 1.888 3.142 0.045 1 0 "[ . 1 . 2]" 1 1153 1 68 GLU QB 1 72 GLN H 3.221 . 4.518 3.292 2.781 3.867 . 0 0 "[ . 1 . 2]" 1 1154 1 68 GLU HB2 1 69 MET H 2.253 . 2.888 2.234 2.170 2.408 . 0 0 "[ . 1 . 2]" 1 1155 1 68 GLU HB2 2 7 VAL QG 2.292 . 2.948 2.002 1.617 2.345 0.292 11 0 "[ . 1 . 2]" 1 1156 1 68 GLU HB2 2 7 VAL QG 2.096 . 2.645 1.947 1.612 2.232 . 0 0 "[ . 1 . 2]" 1 1157 1 68 GLU QG 1 72 GLN H 3.174 . 4.434 4.480 4.154 4.659 0.225 5 0 "[ . 1 . 2]" 1 1158 1 68 GLU QG 2 7 VAL QG 2.730 . 3.662 2.609 1.851 3.203 0.010 5 0 "[ . 1 . 2]" 1 1159 1 68 GLU HG2 1 69 MET H 3.176 . 4.437 4.446 3.838 4.909 0.472 8 0 "[ . 1 . 2]" 1 1160 1 68 GLU HG2 2 7 VAL QG 2.618 . 3.475 3.682 2.950 4.259 0.784 6 6 "[* .+ *- ** . 2]" 1 1161 1 69 MET H 1 69 MET HA 2.691 . 3.596 2.783 2.748 2.814 . 0 0 "[ . 1 . 2]" 1 1162 1 69 MET H 1 69 MET HG2 2.772 . 3.732 3.272 2.448 3.681 . 0 0 "[ . 1 . 2]" 1 1163 1 69 MET H 1 69 MET HG3 2.754 . 3.702 2.763 1.907 3.765 0.063 19 0 "[ . 1 . 2]" 1 1164 1 69 MET H 1 70 ARG H 2.451 . 3.202 2.707 2.554 2.814 . 0 0 "[ . 1 . 2]" 1 1165 1 69 MET H 1 71 ARG H 2.858 . 3.879 3.903 3.652 4.028 0.149 17 0 "[ . 1 . 2]" 1 1166 1 69 MET H 2 7 VAL QG 3.830 . 5.664 3.276 2.875 3.682 . 0 0 "[ . 1 . 2]" 1 1167 1 69 MET HA 1 69 MET ME 2.979 . 4.088 4.203 3.891 4.347 0.259 11 0 "[ . 1 . 2]" 1 1168 1 69 MET HA 1 70 ARG H 2.614 . 3.468 2.791 2.776 2.805 . 0 0 "[ . 1 . 2]" 1 1169 1 69 MET HA 2 7 VAL QG 3.002 . 4.129 3.304 2.789 3.925 . 0 0 "[ . 1 . 2]" 1 1170 1 69 MET QB 1 70 ARG H 2.671 . 3.563 2.799 2.605 3.012 . 0 0 "[ . 1 . 2]" 1 1171 1 69 MET ME 2 7 VAL QG 2.856 . 3.875 3.294 2.877 3.610 . 0 0 "[ . 1 . 2]" 1 1172 1 69 MET HG2 2 7 VAL QG 3.482 . 4.998 3.113 2.329 3.517 . 0 0 "[ . 1 . 2]" 1 1173 1 69 MET HG3 2 7 VAL QG 3.839 . 5.681 3.299 2.448 4.710 . 0 0 "[ . 1 . 2]" 1 1174 1 70 ARG H 1 70 ARG HB2 2.552 . 3.366 3.073 2.489 3.469 0.103 10 0 "[ . 1 . 2]" 1 1175 1 70 ARG H 1 70 ARG HB3 2.315 . 2.985 3.343 2.996 3.793 0.808 12 8 "[* **.* *-1 + .* 2]" 1 1176 1 70 ARG H 1 70 ARG QD 3.890 . 5.782 3.380 1.904 4.219 0.094 19 0 "[ . 1 . 2]" 1 1177 1 70 ARG HA 1 70 ARG HB3 1.895 . 2.344 2.259 2.160 2.373 0.029 8 0 "[ . 1 . 2]" 1 1178 1 70 ARG HA 1 71 ARG H 2.602 . 3.448 2.661 2.570 2.718 . 0 0 "[ . 1 . 2]" 1 1179 1 71 ARG H 1 72 GLN H 2.752 . 3.699 2.598 2.155 3.284 . 0 0 "[ . 1 . 2]" 1 1180 1 71 ARG HA 1 71 ARG QD 3.151 . 4.392 3.869 3.539 4.195 . 0 0 "[ . 1 . 2]" 1 1181 1 71 ARG HA 1 71 ARG HG2 1.913 . 2.370 2.722 2.379 3.153 0.783 19 9 "[ * *- * 1 * .** +*]" 1 1182 1 71 ARG HA 1 71 ARG QG 2.178 . 2.771 2.399 2.323 2.474 . 0 0 "[ . 1 . 2]" 1 1183 1 71 ARG HA 1 72 GLN H 2.604 . 3.451 3.520 3.446 3.548 0.097 20 0 "[ . 1 . 2]" 1 1184 1 71 ARG HB2 1 72 GLN H 2.720 . 3.645 3.485 3.186 3.731 0.086 4 0 "[ . 1 . 2]" 1 1185 1 71 ARG HG2 1 72 GLN H 3.044 . 4.202 3.332 2.199 4.221 0.019 13 0 "[ . 1 . 2]" 1 1186 2 2 HIS HD2 2 10 ARG H 4.409 . 6.838 4.195 2.590 5.467 . 0 0 "[ . 1 . 2]" 1 1187 2 2 HIS HD2 2 11 LEU H 3.396 . 4.838 4.973 4.867 5.022 0.184 15 0 "[ . 1 . 2]" 1 1188 2 3 MET HA 2 4 LEU H 2.503 . 3.286 2.810 2.103 3.513 0.227 11 0 "[ . 1 . 2]" 1 1189 2 3 MET HB3 2 4 LEU H 3.328 . 4.712 3.950 1.873 4.540 0.071 11 0 "[ . 1 . 2]" 1 1190 2 4 LEU H 2 4 LEU HA 2.954 . 4.044 2.883 2.269 2.946 . 0 0 "[ . 1 . 2]" 1 1191 2 4 LEU H 2 4 LEU QB 2.513 . 3.302 2.514 2.159 3.035 . 0 0 "[ . 1 . 2]" 1 1192 2 4 LEU H 2 4 LEU QD 3.515 . 5.060 3.162 2.291 3.996 . 0 0 "[ . 1 . 2]" 1 1193 2 4 LEU H 2 5 PRO HD2 4.656 . 7.366 4.975 2.509 5.312 . 0 0 "[ . 1 . 2]" 1 1194 2 4 LEU HA 2 4 LEU QB 2.308 . 2.974 2.438 2.232 2.503 . 0 0 "[ . 1 . 2]" 1 1195 2 4 LEU HA 2 4 LEU QD 2.265 . 2.907 1.894 1.801 2.255 0.022 11 0 "[ . 1 . 2]" 1 1196 2 4 LEU HA 2 4 LEU HG 2.944 . 4.027 3.321 2.816 3.721 . 0 0 "[ . 1 . 2]" 1 1197 2 4 LEU HA 2 5 PRO HD2 1.988 . 2.482 1.961 1.773 2.397 . 0 0 "[ . 1 . 2]" 1 1198 2 4 LEU QB 2 5 PRO HD2 2.519 . 3.312 2.729 2.085 3.348 0.036 6 0 "[ . 1 . 2]" 1 1199 2 4 LEU QB 2 5 PRO HD3 2.954 . 4.045 3.366 1.914 3.972 . 0 0 "[ . 1 . 2]" 1 1200 2 4 LEU HB2 2 9 GLN HE21 3.764 . 5.535 4.364 3.226 5.358 . 0 0 "[ . 1 . 2]" 1 1201 2 4 LEU HB3 2 10 ARG H 2.719 . 3.643 3.760 3.522 3.917 0.274 4 0 "[ . 1 . 2]" 1 1202 2 4 LEU QD 2 4 LEU HG 2.121 . 2.683 1.893 1.888 1.896 . 0 0 "[ . 1 . 2]" 1 1203 2 4 LEU QD 2 5 PRO HD2 2.964 . 4.062 2.653 2.002 3.507 . 0 0 "[ . 1 . 2]" 1 1204 2 4 LEU QD 2 5 PRO HD3 3.157 . 4.403 2.587 2.111 3.123 . 0 0 "[ . 1 . 2]" 1 1205 2 4 LEU QD 2 12 MET ME 3.127 . 4.349 2.259 1.825 4.352 0.080 1 0 "[ . 1 . 2]" 1 1206 2 5 PRO HA 2 5 PRO HB2 2.416 . 3.145 2.679 2.641 2.942 . 0 0 "[ . 1 . 2]" 1 1207 2 5 PRO HA 2 5 PRO HB3 2.736 . 3.672 2.317 2.272 2.347 . 0 0 "[ . 1 . 2]" 1 1208 2 5 PRO HA 2 5 PRO QG 2.605 . 3.453 3.485 2.953 3.528 0.075 5 0 "[ . 1 . 2]" 1 1209 2 5 PRO HD2 2 8 ALA MB 3.012 . 4.146 4.238 3.934 4.434 0.288 17 0 "[ . 1 . 2]" 1 1210 2 6 ASP H 2 6 ASP HB2 3.081 . 4.267 3.701 2.589 4.052 . 0 0 "[ . 1 . 2]" 1 1211 2 6 ASP H 2 6 ASP HB3 2.786 . 3.756 3.347 2.808 3.910 0.154 10 0 "[ . 1 . 2]" 1 1212 2 6 ASP H 2 7 VAL H 3.059 . 4.229 4.295 4.267 4.356 0.127 20 0 "[ . 1 . 2]" 1 1213 2 6 ASP HA 2 6 ASP HB2 2.299 . 2.959 2.523 2.386 3.023 0.064 20 0 "[ . 1 . 2]" 1 1214 2 6 ASP HA 2 6 ASP HB3 2.309 . 2.975 2.529 2.424 3.024 0.049 17 0 "[ . 1 . 2]" 1 1215 2 6 ASP HA 2 7 VAL H 2.583 . 3.417 2.636 2.287 2.743 . 0 0 "[ . 1 . 2]" 1 1216 2 6 ASP HA 2 9 GLN H 4.135 . 6.272 5.310 4.915 5.517 . 0 0 "[ . 1 . 2]" 1 1217 2 6 ASP HB2 2 7 VAL H 2.837 . 3.843 2.238 1.784 4.028 0.185 6 0 "[ . 1 . 2]" 1 1218 2 6 ASP HB2 2 9 GLN H 4.915 . 7.935 5.382 4.013 5.735 . 0 0 "[ . 1 . 2]" 1 1219 2 6 ASP HB3 2 7 VAL H 3.133 . 4.360 3.222 1.787 3.683 0.119 18 0 "[ . 1 . 2]" 1 1220 2 6 ASP HB3 2 9 GLN H 4.363 . 6.743 5.604 3.273 6.193 . 0 0 "[ . 1 . 2]" 1 1221 2 7 VAL H 2 7 VAL QG 2.773 . 3.734 1.769 1.705 1.911 0.107 16 0 "[ . 1 . 2]" 1 1222 2 7 VAL H 2 8 ALA H 3.039 . 4.194 2.817 2.621 3.129 . 0 0 "[ . 1 . 2]" 1 1223 2 7 VAL HA 2 7 VAL HB 1.962 . 2.443 2.531 2.339 2.754 0.311 19 0 "[ . 1 . 2]" 1 1224 2 7 VAL HA 2 7 VAL QG 2.091 . 2.637 2.275 2.077 2.445 . 0 0 "[ . 1 . 2]" 1 1225 2 7 VAL HA 2 8 ALA H 3.819 . 5.642 3.465 3.320 3.555 . 0 0 "[ . 1 . 2]" 1 1226 2 7 VAL HA 2 9 GLN H 4.456 . 6.938 4.360 3.545 4.918 . 0 0 "[ . 1 . 2]" 1 1227 2 7 VAL HB 2 7 VAL QG 1.748 . 2.130 1.885 1.879 1.889 . 0 0 "[ . 1 . 2]" 1 1228 2 7 VAL HB 2 8 ALA H 3.405 . 4.854 3.687 3.104 4.229 . 0 0 "[ . 1 . 2]" 1 1229 2 7 VAL QG 2 8 ALA H 2.693 . 3.599 2.547 2.330 2.854 . 0 0 "[ . 1 . 2]" 1 1230 2 7 VAL QG 2 8 ALA HA 3.317 . 4.692 3.547 3.043 4.047 . 0 0 "[ . 1 . 2]" 1 1231 2 7 VAL QG 2 8 ALA MB 2.728 . 3.658 3.516 3.323 3.677 0.019 11 0 "[ . 1 . 2]" 1 1232 2 8 ALA H 2 8 ALA HA 2.886 . 3.927 2.762 2.706 2.834 . 0 0 "[ . 1 . 2]" 1 1233 2 8 ALA H 2 8 ALA MB 2.326 . 3.002 2.212 2.186 2.230 . 0 0 "[ . 1 . 2]" 1 1234 2 8 ALA HA 2 8 ALA MB 1.677 . 2.029 2.110 2.099 2.122 0.093 7 0 "[ . 1 . 2]" 1 1235 2 8 ALA HA 2 11 LEU HB3 2.928 . 4.000 3.618 2.523 4.397 0.397 7 0 "[ . 1 . 2]" 1 1236 2 8 ALA HA 2 11 LEU QD 3.122 . 4.340 3.279 2.817 3.858 . 0 0 "[ . 1 . 2]" 1 1237 2 8 ALA MB 2 9 GLN H 2.655 . 3.536 2.505 2.033 2.868 . 0 0 "[ . 1 . 2]" 1 1238 2 8 ALA MB 2 12 MET ME 2.510 . 3.298 2.971 2.332 3.375 0.077 10 0 "[ . 1 . 2]" 1 1239 2 9 GLN H 2 9 GLN HA 2.711 . 3.630 2.849 2.822 2.868 . 0 0 "[ . 1 . 2]" 1 1240 2 9 GLN H 2 9 GLN QB 2.295 . 2.953 2.342 2.047 2.557 . 0 0 "[ . 1 . 2]" 1 1241 2 9 GLN H 2 9 GLN HG2 2.744 . 3.685 2.912 2.138 3.884 0.199 7 0 "[ . 1 . 2]" 1 1242 2 9 GLN H 2 10 ARG H 2.624 . 3.485 2.480 2.371 2.617 . 0 0 "[ . 1 . 2]" 1 1243 2 9 GLN HA 2 12 MET H 2.540 . 3.346 3.301 2.926 3.519 0.173 14 0 "[ . 1 . 2]" 1 1244 2 9 GLN HA 2 12 MET ME 2.427 . 3.163 2.867 1.674 3.240 0.077 1 0 "[ . 1 . 2]" 1 1245 2 9 GLN HE21 2 9 GLN HG3 2.754 . 3.702 3.005 2.762 3.306 . 0 0 "[ . 1 . 2]" 1 1246 2 10 ARG H 2 10 ARG HA 2.456 . 3.210 2.832 2.772 2.867 . 0 0 "[ . 1 . 2]" 1 1247 2 10 ARG H 2 10 ARG HB2 2.197 . 2.800 2.533 1.986 2.803 0.003 12 0 "[ . 1 . 2]" 1 1248 2 10 ARG H 2 10 ARG HB3 2.178 . 2.771 2.412 2.108 2.948 0.177 13 0 "[ . 1 . 2]" 1 1249 2 10 ARG H 2 10 ARG HD3 4.179 . 6.362 5.003 4.348 5.917 . 0 0 "[ . 1 . 2]" 1 1250 2 10 ARG H 2 11 LEU H 2.544 . 3.353 2.470 2.284 2.687 . 0 0 "[ . 1 . 2]" 1 1251 2 10 ARG H 2 12 MET H 3.993 . 5.986 4.164 3.936 4.410 . 0 0 "[ . 1 . 2]" 1 1252 2 10 ARG HA 2 10 ARG QG 2.415 . 3.144 2.731 2.103 3.096 . 0 0 "[ . 1 . 2]" 1 1253 2 10 ARG HA 2 11 LEU H 2.389 . 3.102 2.597 2.537 2.657 . 0 0 "[ . 1 . 2]" 1 1254 2 10 ARG HB3 2 11 LEU H 2.665 . 3.553 2.943 2.610 3.155 . 0 0 "[ . 1 . 2]" 1 1255 2 10 ARG HD2 2 10 ARG QG 2.275 . 2.922 2.313 2.154 2.487 . 0 0 "[ . 1 . 2]" 1 1256 2 10 ARG HD3 2 10 ARG QG 2.602 . 2.862 2.327 2.140 2.498 . 0 0 "[ . 1 . 2]" 1 1257 2 11 LEU H 2 11 LEU HA 2.976 . 4.083 2.883 2.842 2.917 . 0 0 "[ . 1 . 2]" 1 1258 2 11 LEU H 2 11 LEU HB2 2.617 . 3.473 2.387 2.063 2.904 . 0 0 "[ . 1 . 2]" 1 1259 2 11 LEU H 2 11 LEU HB3 2.365 . 3.064 2.402 2.108 2.750 . 0 0 "[ . 1 . 2]" 1 1260 2 11 LEU H 2 11 LEU QD 3.610 . 5.239 3.724 3.590 3.812 . 0 0 "[ . 1 . 2]" 1 1261 2 11 LEU H 2 11 LEU HG 3.117 . 4.332 4.009 3.428 4.427 0.095 15 0 "[ . 1 . 2]" 1 1262 2 11 LEU HA 2 11 LEU HB2 2.760 . 3.712 2.670 2.371 2.906 . 0 0 "[ . 1 . 2]" 1 1263 2 11 LEU HA 2 11 LEU QD 2.144 . 2.718 2.068 1.869 2.235 . 0 0 "[ . 1 . 2]" 1 1264 2 11 LEU HA 2 14 HIS H 2.549 . 3.361 3.256 3.000 3.407 0.046 3 0 "[ . 1 . 2]" 1 1265 2 11 LEU HA 2 14 HIS QB 2.648 . 3.525 2.567 2.275 2.800 . 0 0 "[ . 1 . 2]" 1 1266 2 11 LEU HA 2 14 HIS HD2 3.634 . 5.285 4.897 4.471 5.238 . 0 0 "[ . 1 . 2]" 1 1267 2 11 LEU HB2 2 11 LEU QD 3.000 . 4.125 2.203 2.064 2.313 . 0 0 "[ . 1 . 2]" 1 1268 2 11 LEU HB2 2 12 MET H 2.909 . 3.967 3.463 2.912 3.993 0.026 16 0 "[ . 1 . 2]" 1 1269 2 11 LEU HB3 2 11 LEU QD 2.775 . 3.186 2.196 2.121 2.411 . 0 0 "[ . 1 . 2]" 1 1270 2 11 LEU HB3 2 11 LEU HG 2.919 . 3.984 2.770 2.367 3.009 . 0 0 "[ . 1 . 2]" 1 1271 2 11 LEU MD1 2 11 LEU MD2 2.053 . 2.580 2.078 2.052 2.092 . 0 0 "[ . 1 . 2]" 1 1272 2 11 LEU QD 2 11 LEU HG 2.180 . 2.774 1.888 1.884 1.893 . 0 0 "[ . 1 . 2]" 1 1273 2 11 LEU QD 2 12 MET H 3.466 . 4.968 3.945 3.814 4.130 . 0 0 "[ . 1 . 2]" 1 1274 2 11 LEU QD 2 12 MET H 3.407 . 4.858 3.450 3.285 3.585 . 0 0 "[ . 1 . 2]" 1 1275 2 11 LEU QD 2 14 HIS H 4.195 . 6.395 4.041 3.749 4.328 . 0 0 "[ . 1 . 2]" 1 1276 2 11 LEU QD 2 14 HIS QB 2.929 . 4.001 2.531 2.011 2.852 . 0 0 "[ . 1 . 2]" 1 1277 2 11 LEU QD 2 14 HIS HD2 2.684 . 3.585 3.467 3.203 3.646 0.061 10 0 "[ . 1 . 2]" 1 1278 2 11 LEU QD 2 15 LEU QD 1.941 . 2.412 1.968 1.760 2.206 . 0 0 "[ . 1 . 2]" 1 1279 2 11 LEU HG 2 14 HIS HD2 3.989 . 5.978 5.831 4.880 6.061 0.083 16 0 "[ . 1 . 2]" 1 1280 2 12 MET H 2 12 MET HA 2.516 . 3.307 2.776 2.735 2.815 . 0 0 "[ . 1 . 2]" 1 1281 2 12 MET H 2 12 MET HG2 2.681 . 3.579 3.322 3.138 3.864 0.285 9 0 "[ . 1 . 2]" 1 1282 2 12 MET H 2 12 MET HG3 2.867 . 3.894 2.112 1.936 2.716 . 0 0 "[ . 1 . 2]" 1 1283 2 12 MET HA 2 12 MET HB3 2.250 . 2.883 2.473 2.429 2.629 . 0 0 "[ . 1 . 2]" 1 1284 2 12 MET HA 2 13 GLN H 2.782 . 3.749 3.528 3.495 3.550 . 0 0 "[ . 1 . 2]" 1 1285 2 12 MET HA 2 15 LEU QD 2.450 . 3.200 3.034 2.418 3.221 0.021 17 0 "[ . 1 . 2]" 1 1286 2 12 MET HB2 2 13 GLN H 2.110 . 2.667 2.146 1.973 2.285 . 0 0 "[ . 1 . 2]" 1 1287 2 12 MET HG2 2 13 GLN H 3.805 . 5.614 4.904 4.769 5.093 . 0 0 "[ . 1 . 2]" 1 1288 2 13 GLN H 2 13 GLN HA 2.415 . 3.144 2.826 2.788 2.858 . 0 0 "[ . 1 . 2]" 1 1289 2 13 GLN H 2 13 GLN HG2 2.730 . 3.661 2.695 2.021 3.863 0.202 16 0 "[ . 1 . 2]" 1 1290 2 13 GLN H 2 14 HIS HB3 3.480 . 4.994 5.032 4.724 5.316 0.322 7 0 "[ . 1 . 2]" 1 1291 2 13 GLN HA 2 16 ALA MB 2.113 . 2.671 2.586 2.282 2.729 0.058 13 0 "[ . 1 . 2]" 1 1292 2 13 GLN QB 2 13 GLN HE21 4.117 . 6.235 3.205 1.882 4.004 0.117 10 0 "[ . 1 . 2]" 1 1293 2 13 GLN QB 2 14 HIS H 2.265 . 2.906 2.694 2.358 2.891 . 0 0 "[ . 1 . 2]" 1 1294 2 13 GLN HE21 2 13 GLN HG3 3.153 . 4.396 2.663 2.217 3.495 . 0 0 "[ . 1 . 2]" 1 1295 2 13 GLN HG3 2 14 HIS H 3.078 . 4.262 4.200 3.846 4.793 0.531 5 1 "[ + 1 . 2]" 1 1296 2 14 HIS H 2 14 HIS HA 2.567 . 3.391 2.832 2.782 2.890 . 0 0 "[ . 1 . 2]" 1 1297 2 14 HIS H 2 14 HIS QB 2.199 . 2.803 2.254 2.197 2.312 . 0 0 "[ . 1 . 2]" 1 1298 2 14 HIS H 2 15 LEU QD 3.607 . 5.234 4.043 3.544 4.763 . 0 0 "[ . 1 . 2]" 1 1299 2 14 HIS HA 2 14 HIS QB 2.346 . 3.034 2.401 2.371 2.428 . 0 0 "[ . 1 . 2]" 1 1300 2 14 HIS HA 2 14 HIS HD2 4.413 . 6.848 4.415 4.148 4.666 . 0 0 "[ . 1 . 2]" 1 1301 2 14 HIS HA 2 14 HIS HE1 5.601 . 9.523 4.819 4.553 5.046 . 0 0 "[ . 1 . 2]" 1 1302 2 14 HIS HA 2 15 LEU H 3.504 . 5.039 3.500 3.450 3.570 . 0 0 "[ . 1 . 2]" 1 1303 2 14 HIS HA 2 17 GLU H 3.208 . 4.495 3.720 3.344 4.170 . 0 0 "[ . 1 . 2]" 1 1304 2 14 HIS HA 2 17 GLU QB 3.018 . 4.156 3.580 3.177 4.060 . 0 0 "[ . 1 . 2]" 1 1305 2 14 HIS HA 2 18 HIS HD2 3.463 . 4.962 3.750 3.468 4.188 . 0 0 "[ . 1 . 2]" 1 1306 2 14 HIS QB 2 14 HIS HE1 4.520 . 7.073 4.483 4.434 4.550 . 0 0 "[ . 1 . 2]" 1 1307 2 14 HIS QB 2 15 LEU H 2.628 . 3.492 2.857 2.650 3.067 . 0 0 "[ . 1 . 2]" 1 1308 2 14 HIS HD2 2 15 LEU HA 3.608 . 5.235 4.433 3.668 5.216 . 0 0 "[ . 1 . 2]" 1 1309 2 14 HIS HD2 2 15 LEU QD 2.533 . 3.335 3.022 2.397 3.378 0.043 8 0 "[ . 1 . 2]" 1 1310 2 15 LEU H 2 15 LEU HA 2.657 . 3.539 2.894 2.852 2.920 . 0 0 "[ . 1 . 2]" 1 1311 2 15 LEU H 2 15 LEU QD 2.671 . 3.562 2.615 2.093 3.193 . 0 0 "[ . 1 . 2]" 1 1312 2 15 LEU HA 2 15 LEU HB2 2.942 . 4.024 3.011 2.994 3.019 . 0 0 "[ . 1 . 2]" 1 1313 2 15 LEU HA 2 15 LEU HB3 2.908 . 3.965 2.529 2.400 2.617 . 0 0 "[ . 1 . 2]" 1 1314 2 15 LEU HA 2 15 LEU QD 2.067 . 2.601 1.916 1.730 2.111 . 0 0 "[ . 1 . 2]" 1 1315 2 15 LEU HA 2 16 ALA H 3.124 . 4.344 3.515 3.468 3.541 . 0 0 "[ . 1 . 2]" 1 1316 2 15 LEU HA 2 17 GLU H 3.747 . 5.502 4.063 3.635 4.423 . 0 0 "[ . 1 . 2]" 1 1317 2 15 LEU HA 2 18 HIS H 3.113 . 4.324 3.551 3.422 3.811 . 0 0 "[ . 1 . 2]" 1 1318 2 15 LEU HA 2 18 HIS HD2 3.011 . 4.144 3.516 3.002 3.973 . 0 0 "[ . 1 . 2]" 1 1319 2 15 LEU HA 2 20 ILE HB 3.311 . 4.681 3.580 2.981 4.108 . 0 0 "[ . 1 . 2]" 1 1320 2 15 LEU HB2 2 15 LEU QD 2.761 . 3.125 2.169 2.088 2.271 . 0 0 "[ . 1 . 2]" 1 1321 2 15 LEU HB2 2 16 ALA H 2.375 . 3.080 2.649 2.323 2.913 . 0 0 "[ . 1 . 2]" 1 1322 2 15 LEU HB2 2 20 ILE MG 2.948 . 4.034 3.566 3.170 4.044 0.010 14 0 "[ . 1 . 2]" 1 1323 2 15 LEU HB3 2 15 LEU QD 2.519 . 3.312 2.387 2.106 2.609 . 0 0 "[ . 1 . 2]" 1 1324 2 15 LEU HB3 2 15 LEU HG 2.923 . 3.991 2.525 2.216 3.021 . 0 0 "[ . 1 . 2]" 1 1325 2 15 LEU HB3 2 18 HIS H 3.454 . 4.946 4.141 4.051 4.240 . 0 0 "[ . 1 . 2]" 1 1326 2 15 LEU HB3 2 20 ILE MG 2.948 . 4.035 2.415 2.020 2.905 . 0 0 "[ . 1 . 2]" 1 1327 2 15 LEU QD 2 15 LEU HG 2.073 . 2.610 1.890 1.885 1.895 . 0 0 "[ . 1 . 2]" 1 1328 2 15 LEU QD 2 20 ILE HB 2.811 . 3.798 3.333 2.958 3.672 . 0 0 "[ . 1 . 2]" 1 1329 2 16 ALA H 2 16 ALA MB 2.234 . 2.858 2.229 2.203 2.243 . 0 0 "[ . 1 . 2]" 1 1330 2 16 ALA HA 2 16 ALA MB 1.816 . 2.228 2.125 2.119 2.128 . 0 0 "[ . 1 . 2]" 1 1331 2 16 ALA HA 2 20 ILE H 2.434 . 3.174 2.650 2.352 2.789 . 0 0 "[ . 1 . 2]" 1 1332 2 16 ALA MB 2 17 GLU H 2.532 . 3.333 2.824 2.590 3.072 . 0 0 "[ . 1 . 2]" 1 1333 2 17 GLU H 2 17 GLU HA 2.719 . 3.643 2.838 2.789 2.912 . 0 0 "[ . 1 . 2]" 1 1334 2 17 GLU H 2 17 GLU QB 2.277 . 2.925 2.499 2.378 2.748 . 0 0 "[ . 1 . 2]" 1 1335 2 17 GLU H 2 17 GLU HG2 2.516 . 3.307 2.437 1.975 3.593 0.286 14 0 "[ . 1 . 2]" 1 1336 2 17 GLU H 2 18 HIS H 2.647 . 3.523 2.670 2.433 2.769 . 0 0 "[ . 1 . 2]" 1 1337 2 17 GLU HA 2 17 GLU QB 1.902 . 2.354 2.281 2.161 2.379 0.025 4 0 "[ . 1 . 2]" 1 1338 2 17 GLU HA 2 18 HIS H 3.025 . 4.169 3.399 3.255 3.489 . 0 0 "[ . 1 . 2]" 1 1339 2 17 GLU QB 2 18 HIS H 3.098 . 4.298 3.384 2.826 3.884 . 0 0 "[ . 1 . 2]" 1 1340 2 17 GLU QB 2 18 HIS HE1 4.290 . 6.590 5.092 4.379 6.274 . 0 0 "[ . 1 . 2]" 1 1341 2 17 GLU HG3 2 18 HIS HE1 4.549 . 7.135 6.128 4.342 7.363 0.228 5 0 "[ . 1 . 2]" 1 1342 2 18 HIS H 2 18 HIS HA 2.941 . 4.022 2.943 2.920 2.955 . 0 0 "[ . 1 . 2]" 1 1343 2 18 HIS H 2 18 HIS HB2 2.586 . 3.422 2.581 2.393 2.726 . 0 0 "[ . 1 . 2]" 1 1344 2 18 HIS H 2 18 HIS HB3 2.898 . 3.948 3.745 3.625 3.841 . 0 0 "[ . 1 . 2]" 1 1345 2 18 HIS H 2 18 HIS HD2 3.413 . 4.869 3.417 2.812 3.880 . 0 0 "[ . 1 . 2]" 1 1346 2 18 HIS H 2 19 GLY H 2.537 . 3.342 2.385 1.932 3.167 . 0 0 "[ . 1 . 2]" 1 1347 2 18 HIS H 2 20 ILE H 3.145 . 4.382 3.673 3.193 4.410 0.028 13 0 "[ . 1 . 2]" 1 1348 2 18 HIS HA 2 18 HIS HB2 2.516 . 3.307 3.015 2.996 3.025 . 0 0 "[ . 1 . 2]" 1 1349 2 18 HIS HA 2 18 HIS HB3 2.403 . 3.125 2.514 2.463 2.595 . 0 0 "[ . 1 . 2]" 1 1350 2 18 HIS HA 2 18 HIS HE1 4.521 . 7.076 4.905 4.744 5.087 . 0 0 "[ . 1 . 2]" 1 1351 2 18 HIS HA 2 19 GLY H 2.965 . 4.064 3.394 2.996 3.585 . 0 0 "[ . 1 . 2]" 1 1352 2 18 HIS HB2 2 19 GLY H 3.245 . 4.562 2.967 1.905 4.054 0.023 19 0 "[ . 1 . 2]" 1 1353 2 18 HIS HB2 2 20 ILE H 3.601 . 5.222 3.738 3.265 4.543 . 0 0 "[ . 1 . 2]" 1 1354 2 18 HIS HB3 2 20 ILE H 3.601 . 5.222 4.674 3.990 5.307 0.085 2 0 "[ . 1 . 2]" 1 1355 2 19 GLY H 2 19 GLY QA 2.623 . 3.170 2.348 2.197 2.494 . 0 0 "[ . 1 . 2]" 1 1356 2 19 GLY H 2 20 ILE H 2.348 . 3.037 2.273 1.753 2.799 . 0 0 "[ . 1 . 2]" 1 1357 2 19 GLY QA 2 20 ILE H 2.930 . 4.003 2.712 2.386 2.864 . 0 0 "[ . 1 . 2]" 1 1358 2 20 ILE H 2 20 ILE HB 2.411 . 3.138 2.236 2.104 2.434 . 0 0 "[ . 1 . 2]" 1 1359 2 20 ILE H 2 20 ILE HG13 2.654 . 3.535 3.744 3.516 4.146 0.611 2 2 "[ + . 1 - . 2]" 1 1360 2 20 ILE HA 2 20 ILE HB 2.863 . 3.888 2.985 2.957 3.021 . 0 0 "[ . 1 . 2]" 1 1361 2 20 ILE HA 2 20 ILE MD 2.394 . 3.110 2.293 1.770 2.622 . 0 0 "[ . 1 . 2]" 1 1362 2 20 ILE HA 2 20 ILE HG12 2.646 . 3.521 3.342 2.932 3.536 0.015 6 0 "[ . 1 . 2]" 1 1363 2 20 ILE HA 2 20 ILE HG13 2.483 . 3.254 2.696 2.151 3.645 0.391 17 0 "[ . 1 . 2]" 1 1364 2 20 ILE HA 2 20 ILE MG 2.155 . 2.736 2.651 2.452 2.781 0.045 4 0 "[ . 1 . 2]" 1 1365 2 20 ILE HA 2 21 GLN H 2.227 . 2.847 2.229 2.133 2.298 . 0 0 "[ . 1 . 2]" 1 1366 2 20 ILE HB 2 20 ILE MD 2.460 . 3.217 2.649 2.316 3.225 0.008 17 0 "[ . 1 . 2]" 1 1367 2 20 ILE HB 2 20 ILE HG12 2.656 . 3.538 2.482 2.357 2.556 . 0 0 "[ . 1 . 2]" 1 1368 2 20 ILE HB 2 20 ILE HG13 2.609 . 3.460 2.826 2.466 3.007 . 0 0 "[ . 1 . 2]" 1 1369 2 20 ILE HB 2 20 ILE MG 2.058 . 2.587 2.123 2.116 2.127 . 0 0 "[ . 1 . 2]" 1 1370 2 20 ILE HG12 2 20 ILE MG 2.299 . 2.960 2.593 2.247 3.202 0.242 17 0 "[ . 1 . 2]" 1 1371 2 20 ILE HG13 2 20 ILE MG 2.795 . 3.771 2.434 2.255 2.549 . 0 0 "[ . 1 . 2]" 1 1372 2 20 ILE MG 2 21 GLN H 2.622 . 3.481 2.368 2.181 2.702 . 0 0 "[ . 1 . 2]" 1 1373 2 21 GLN H 2 21 GLN HA 2.985 . 4.099 2.897 2.813 2.939 . 0 0 "[ . 1 . 2]" 1 1374 2 21 GLN H 2 21 GLN HB2 2.515 . 3.306 2.429 2.211 2.690 . 0 0 "[ . 1 . 2]" 1 1375 2 21 GLN H 2 21 GLN HB3 2.822 . 3.817 3.507 2.593 3.703 . 0 0 "[ . 1 . 2]" 1 1376 2 21 GLN H 2 21 GLN QG 2.972 . 4.076 3.157 2.298 4.091 0.015 1 0 "[ . 1 . 2]" 1 1377 2 21 GLN HA 2 21 GLN HB2 2.659 . 3.543 2.969 2.521 3.033 . 0 0 "[ . 1 . 2]" 1 1378 2 21 GLN HA 2 21 GLN HB3 2.259 . 2.897 2.580 2.448 3.025 0.128 9 0 "[ . 1 . 2]" 1 1379 2 21 GLN HA 2 21 GLN QG 2.434 . 3.175 2.570 2.304 2.993 . 0 0 "[ . 1 . 2]" 1 1380 2 21 GLN HA 2 22 PRO HD2 1.764 . 2.153 2.369 1.999 2.544 0.391 13 0 "[ . 1 . 2]" 1 1381 2 21 GLN HA 2 22 PRO HD3 1.975 . 2.463 2.022 1.786 2.413 . 0 0 "[ . 1 . 2]" 1 1382 2 21 GLN HB2 2 21 GLN QG 1.959 . 2.439 2.331 2.158 2.448 0.009 7 0 "[ . 1 . 2]" 1 1383 2 21 GLN QG 2 22 PRO HD3 3.377 . 4.803 4.215 3.495 4.929 0.126 16 0 "[ . 1 . 2]" 1 1384 2 22 PRO HA 2 22 PRO HB3 2.274 . 2.921 2.288 2.265 2.309 . 0 0 "[ . 1 . 2]" 1 1385 2 22 PRO HA 2 22 PRO HG2 2.928 . 4.000 3.948 3.859 4.042 0.042 13 0 "[ . 1 . 2]" 1 1386 2 22 PRO HA 2 22 PRO HG3 3.081 . 4.267 3.569 2.988 4.023 . 0 0 "[ . 1 . 2]" 1 1387 2 22 PRO HA 2 23 ALA H 2.516 . 3.307 2.269 2.146 2.494 . 0 0 "[ . 1 . 2]" 1 1388 2 22 PRO HB2 2 24 ARG H 3.005 . 4.134 3.360 2.109 4.365 0.231 5 0 "[ . 1 . 2]" 1 1389 2 22 PRO HB3 2 23 ALA H 3.142 . 4.376 3.502 2.658 4.345 . 0 0 "[ . 1 . 2]" 1 1390 2 22 PRO HB3 2 24 ARG H 3.899 . 5.799 4.627 3.244 5.654 . 0 0 "[ . 1 . 2]" 1 1391 2 22 PRO HD2 2 22 PRO HG2 2.397 . 3.115 2.298 2.255 2.326 . 0 0 "[ . 1 . 2]" 1 1392 2 22 PRO HD2 2 22 PRO HG3 2.395 . 3.112 2.884 2.715 2.997 . 0 0 "[ . 1 . 2]" 1 1393 2 22 PRO HD3 2 24 ARG H 4.711 . 7.485 6.207 5.443 7.555 0.070 16 0 "[ . 1 . 2]" 1 1394 2 23 ALA H 2 23 ALA HA 2.516 . 3.307 2.817 2.239 2.939 . 0 0 "[ . 1 . 2]" 1 1395 2 23 ALA H 2 23 ALA MB 2.516 . 3.307 2.358 2.218 2.901 . 0 0 "[ . 1 . 2]" 1 1396 2 23 ALA HA 2 23 ALA MB 1.815 . 2.227 2.123 2.083 2.137 . 0 0 "[ . 1 . 2]" 1 1397 2 23 ALA HA 2 24 ARG H 2.422 . 3.156 2.846 2.259 3.486 0.330 14 0 "[ . 1 . 2]" 1 1398 2 23 ALA MB 2 24 ARG H 2.676 . 3.571 3.426 2.091 3.681 0.110 8 0 "[ . 1 . 2]" 1 1399 2 24 ARG HA 2 24 ARG HB2 2.130 . 2.697 2.763 2.408 3.023 0.326 13 0 "[ . 1 . 2]" 1 1400 2 24 ARG HA 2 24 ARG QD 2.405 . 3.128 2.187 1.731 3.162 0.034 11 0 "[ . 1 . 2]" 1 1401 2 24 ARG HA 2 24 ARG QG 2.242 . 2.870 2.829 2.388 3.059 0.189 5 0 "[ . 1 . 2]" 1 1402 2 24 ARG HA 2 25 ASN H 2.812 . 3.801 3.045 2.107 3.544 . 0 0 "[ . 1 . 2]" 1 1403 2 25 ASN H 2 25 ASN HB2 2.785 . 3.755 3.740 3.249 4.123 0.368 15 0 "[ . 1 . 2]" 1 1404 2 25 ASN HA 2 25 ASN HB2 2.035 . 2.553 2.487 2.335 2.946 0.393 11 0 "[ . 1 . 2]" 1 1405 2 25 ASN HA 2 25 ASN HB2 2.174 . 2.765 2.299 2.143 2.661 . 0 0 "[ . 1 . 2]" 1 1406 2 25 ASN HA 2 25 ASN HB3 2.037 . 2.556 2.507 2.366 2.968 0.412 18 0 "[ . 1 . 2]" 1 1407 2 25 ASN HA 2 26 MET H 3.208 . 4.495 2.780 2.116 3.579 . 0 0 "[ . 1 . 2]" 1 1408 2 25 ASN HB2 2 25 ASN HD21 3.258 . 4.585 2.784 2.177 3.496 . 0 0 "[ . 1 . 2]" 1 1409 2 26 MET H 2 26 MET HB2 3.515 . 5.059 3.042 2.414 3.981 . 0 0 "[ . 1 . 2]" 1 1410 2 26 MET H 2 26 MET HB3 3.158 . 4.404 3.425 2.549 4.132 . 0 0 "[ . 1 . 2]" 1 1411 2 26 MET H 2 26 MET HG3 4.128 . 6.258 3.881 2.346 4.817 . 0 0 "[ . 1 . 2]" 1 1412 2 26 MET HA 2 27 ALA H 2.535 . 3.338 2.571 2.118 3.517 0.179 20 0 "[ . 1 . 2]" 1 1413 2 26 MET HB2 2 27 ALA H 3.975 . 5.950 4.084 3.281 4.600 . 0 0 "[ . 1 . 2]" 1 1414 2 26 MET HB3 2 27 ALA H 3.616 . 5.251 3.734 1.951 4.523 0.030 20 0 "[ . 1 . 2]" 1 1415 2 27 ALA H 2 27 ALA HA 2.727 . 3.657 2.796 2.258 2.947 . 0 0 "[ . 1 . 2]" 1 1416 2 27 ALA H 2 27 ALA MB 2.599 . 3.444 2.457 2.222 2.915 . 0 0 "[ . 1 . 2]" 1 1417 2 27 ALA HA 2 27 ALA MB 1.822 . 2.237 2.128 2.122 2.136 . 0 0 "[ . 1 . 2]" 1 1418 2 27 ALA MB 2 29 HIS HD2 7.740 . 15.228 6.318 3.729 9.300 . 0 0 "[ . 1 . 2]" 1 1419 2 27 ALA MB 2 29 HIS HE1 6.850 . 12.715 6.631 2.196 9.406 . 0 0 "[ . 1 . 2]" 1 1420 2 28 GLU H 2 28 GLU HA 2.417 . 3.147 2.737 2.247 2.941 . 0 0 "[ . 1 . 2]" 1 1421 2 28 GLU HA 2 28 GLU HG2 2.482 . 3.252 2.842 2.336 3.452 0.200 9 0 "[ . 1 . 2]" 1 1422 2 28 GLU HA 2 28 GLU HG3 2.495 . 3.273 2.784 2.190 3.202 . 0 0 "[ . 1 . 2]" 1 1423 2 29 HIS HA 2 30 ILE H 2.537 . 3.342 2.553 2.144 3.450 0.108 18 0 "[ . 1 . 2]" 1 1424 2 29 HIS QB 2 30 ILE H 3.666 . 5.346 3.471 2.292 4.033 . 0 0 "[ . 1 . 2]" 1 1425 2 29 HIS HD2 2 30 ILE HA 4.989 . 8.100 5.878 3.102 7.346 . 0 0 "[ . 1 . 2]" 1 1426 2 30 ILE H 2 30 ILE HB 3.116 . 4.330 2.830 2.481 3.813 . 0 0 "[ . 1 . 2]" 1 1427 2 30 ILE H 2 30 ILE HG12 3.630 . 5.277 3.133 1.999 4.638 . 0 0 "[ . 1 . 2]" 1 1428 2 30 ILE H 2 30 ILE HG13 3.662 . 5.338 3.111 2.074 4.626 . 0 0 "[ . 1 . 2]" 1 1429 2 30 ILE H 2 30 ILE MG 3.892 . 5.786 3.493 2.162 3.925 . 0 0 "[ . 1 . 2]" 1 1430 2 30 ILE HA 2 30 ILE HB 2.732 . 3.665 2.891 2.457 3.035 . 0 0 "[ . 1 . 2]" 1 1431 2 30 ILE HA 2 30 ILE MD 3.412 . 4.867 3.399 1.989 4.199 . 0 0 "[ . 1 . 2]" 1 1432 2 30 ILE HA 2 30 ILE MG 2.503 . 3.286 2.414 2.289 3.213 . 0 0 "[ . 1 . 2]" 1 1433 2 30 ILE HA 2 31 PRO HD2 2.253 . 2.888 2.353 1.944 2.898 0.010 1 0 "[ . 1 . 2]" 1 1434 2 30 ILE HA 2 31 PRO HD3 2.130 . 2.697 2.102 1.830 2.617 . 0 0 "[ . 1 . 2]" 1 1435 2 30 ILE HB 2 30 ILE MD 2.843 . 3.853 2.616 2.278 3.244 . 0 0 "[ . 1 . 2]" 1 1436 2 30 ILE HB 2 30 ILE HG12 2.558 . 3.376 2.842 2.419 3.032 . 0 0 "[ . 1 . 2]" 1 1437 2 30 ILE HB 2 30 ILE MG 2.253 . 2.888 2.127 2.122 2.132 . 0 0 "[ . 1 . 2]" 1 1438 2 30 ILE MD 2 30 ILE HG13 1.899 . 2.350 2.120 2.117 2.123 . 0 0 "[ . 1 . 2]" 1 1439 2 30 ILE HG12 2 30 ILE MG 2.875 . 3.908 2.570 2.138 3.207 . 0 0 "[ . 1 . 2]" 1 1440 2 30 ILE HG13 2 30 ILE MG 2.637 . 3.506 2.930 2.313 3.210 . 0 0 "[ . 1 . 2]" 1 1441 2 30 ILE MG 2 31 PRO HD2 2.771 . 3.731 2.843 2.196 3.806 0.075 4 0 "[ . 1 . 2]" 1 1442 2 30 ILE MG 2 31 PRO HD3 3.348 . 4.749 3.644 3.239 4.709 . 0 0 "[ . 1 . 2]" 1 1443 2 31 PRO HA 2 31 PRO HB3 2.354 . 3.046 2.289 2.270 2.322 . 0 0 "[ . 1 . 2]" 1 1444 2 31 PRO HA 2 31 PRO QG 2.989 . 4.106 3.273 2.900 3.535 . 0 0 "[ . 1 . 2]" 1 1445 2 31 PRO HA 2 32 PRO HD2 2.174 . 2.765 2.383 1.840 2.785 0.020 8 0 "[ . 1 . 2]" 1 1446 2 31 PRO HA 2 32 PRO HD3 2.198 . 2.802 2.089 1.818 2.582 . 0 0 "[ . 1 . 2]" 1 1447 2 31 PRO HB3 2 31 PRO HD2 2.912 . 3.972 3.542 3.223 3.739 . 0 0 "[ . 1 . 2]" 1 1448 2 32 PRO HA 2 32 PRO HG2 2.899 . 3.949 3.938 3.862 4.044 0.095 6 0 "[ . 1 . 2]" 1 1449 2 32 PRO HA 2 33 ALA H 2.410 . 3.136 2.164 2.132 2.399 . 0 0 "[ . 1 . 2]" 1 1450 2 32 PRO HB2 2 33 ALA H 4.809 . 7.700 3.776 3.007 4.134 . 0 0 "[ . 1 . 2]" 1 1451 2 32 PRO HB3 2 33 ALA H 3.366 . 4.782 3.778 3.022 4.166 . 0 0 "[ . 1 . 2]" 1 1452 2 33 ALA H 2 33 ALA HA 2.794 . 3.770 2.882 2.799 2.944 . 0 0 "[ . 1 . 2]" 1 1453 2 33 ALA H 2 33 ALA MB 2.792 . 3.766 2.282 2.234 2.509 . 0 0 "[ . 1 . 2]" 1 1454 2 33 ALA HA 2 33 ALA MB 2.274 . 2.920 2.131 2.128 2.135 . 0 0 "[ . 1 . 2]" 1 1455 2 33 ALA HA 2 34 PRO HD2 2.230 . 2.851 2.467 1.872 2.974 0.123 5 0 "[ . 1 . 2]" 1 1456 2 33 ALA HA 2 34 PRO HD3 2.303 . 2.966 1.992 1.761 2.594 . 0 0 "[ . 1 . 2]" 1 1457 2 33 ALA MB 2 34 PRO HD2 3.257 . 4.583 2.985 2.526 3.436 . 0 0 "[ . 1 . 2]" 1 1458 2 33 ALA MB 2 34 PRO HD3 2.586 . 3.422 3.494 2.881 3.989 0.567 16 2 "[ . 1 .+ -2]" 1 1459 2 34 PRO HA 2 34 PRO HB2 2.456 . 3.210 2.854 2.680 2.987 . 0 0 "[ . 1 . 2]" 1 1460 2 34 PRO HA 2 34 PRO QG 3.311 . 4.681 3.231 2.852 3.535 . 0 0 "[ . 1 . 2]" 1 1461 2 34 PRO HA 2 35 ASN H 2.662 . 3.548 2.663 2.132 3.552 0.004 16 0 "[ . 1 . 2]" 1 1462 2 34 PRO HD2 2 34 PRO QG 2.196 . 2.799 2.221 2.174 2.256 . 0 0 "[ . 1 . 2]" 1 1463 2 34 PRO HD3 2 34 PRO QG 2.343 . 3.029 2.200 2.183 2.250 . 0 0 "[ . 1 . 2]" 1 1464 2 35 ASN HA 2 35 ASN HB2 2.304 . 2.968 2.618 2.432 3.035 0.067 16 0 "[ . 1 . 2]" 1 1465 2 35 ASN HA 2 36 TRP H 2.915 . 3.977 2.632 2.147 3.562 . 0 0 "[ . 1 . 2]" 1 1466 2 35 ASN QB 2 36 TRP H 4.709 . 7.481 3.226 1.936 4.026 0.001 7 0 "[ . 1 . 2]" 1 1467 2 36 TRP H 2 36 TRP HB2 3.653 . 5.321 2.897 2.463 3.866 . 0 0 "[ . 1 . 2]" 1 1468 2 36 TRP H 2 36 TRP HB3 3.287 . 4.638 3.303 2.437 4.068 . 0 0 "[ . 1 . 2]" 1 1469 2 36 TRP HA 2 36 TRP HB2 2.714 . 3.635 2.784 2.423 3.032 . 0 0 "[ . 1 . 2]" 1 1470 2 36 TRP HA 2 36 TRP HB3 2.645 . 3.520 2.648 2.367 3.035 . 0 0 "[ . 1 . 2]" 1 1471 2 36 TRP HA 2 36 TRP HD1 4.569 . 7.178 3.606 2.478 4.597 . 0 0 "[ . 1 . 2]" 1 1472 2 36 TRP HA 2 36 TRP HE3 4.133 . 6.268 3.995 2.291 5.178 . 0 0 "[ . 1 . 2]" 1 1473 2 36 TRP HB3 2 36 TRP HD1 3.805 . 5.615 3.169 2.544 3.893 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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