NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
531270 | 2lan | 16862 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lan 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 614 _Distance_constraint_stats_list.Viol_count 972 _Distance_constraint_stats_list.Viol_total 1410.342 _Distance_constraint_stats_list.Viol_max 0.465 _Distance_constraint_stats_list.Viol_rms 0.0420 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0102 _Distance_constraint_stats_list.Viol_average_violations_only 0.0967 _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 18 SER 0.052 0.049 5 0 "[ . 1 .]" 1 19 LEU 0.052 0.049 5 0 "[ . 1 .]" 1 20 ARG 0.640 0.132 11 0 "[ . 1 .]" 1 21 PRO 0.561 0.121 13 0 "[ . 1 .]" 1 22 GLU 0.127 0.090 8 0 "[ . 1 .]" 1 23 GLU 1.240 0.163 11 0 "[ . 1 .]" 1 24 ILE 2.276 0.163 11 0 "[ . 1 .]" 1 25 GLU 0.370 0.107 9 0 "[ . 1 .]" 1 26 GLU 0.447 0.131 3 0 "[ . 1 .]" 1 27 LEU 0.479 0.099 6 0 "[ . 1 .]" 1 28 ARG 0.223 0.107 9 0 "[ . 1 .]" 1 29 GLU 0.080 0.080 14 0 "[ . 1 .]" 1 30 ALA 0.937 0.073 10 0 "[ . 1 .]" 1 31 PHE 5.603 0.189 2 0 "[ . 1 .]" 1 32 ARG 3.083 0.286 14 0 "[ . 1 .]" 1 33 GLU 0.644 0.095 11 0 "[ . 1 .]" 1 34 PHE 1.857 0.143 8 0 "[ . 1 .]" 1 35 ASP 3.177 0.326 12 0 "[ . 1 .]" 1 36 LYS 0.263 0.104 3 0 "[ . 1 .]" 1 37 ASP 1.204 0.327 10 0 "[ . 1 .]" 1 38 LYS 8.465 0.369 11 0 "[ . 1 .]" 1 39 ASP 4.404 0.369 11 0 "[ . 1 .]" 1 40 GLY 2.589 0.339 11 0 "[ . 1 .]" 1 41 TYR 6.347 0.351 9 0 "[ . 1 .]" 1 42 ILE 3.430 0.361 6 0 "[ . 1 .]" 1 43 ASN 3.793 0.361 6 0 "[ . 1 .]" 1 44 CYS 2.134 0.339 9 0 "[ . 1 .]" 1 46 ASP 2.991 0.254 15 0 "[ . 1 .]" 1 47 LEU 0.701 0.113 11 0 "[ . 1 .]" 1 48 GLY 0.000 0.000 . 0 "[ . 1 .]" 1 49 ASN 3.235 0.254 15 0 "[ . 1 .]" 1 50 CYS 1.316 0.182 9 0 "[ . 1 .]" 1 51 MET 5.082 0.343 12 0 "[ . 1 .]" 1 52 ARG 3.959 0.343 12 0 "[ . 1 .]" 1 53 THR 2.553 0.182 9 0 "[ . 1 .]" 1 54 MET 2.041 0.286 8 0 "[ . 1 .]" 1 55 GLY 0.920 0.286 8 0 "[ . 1 .]" 1 56 TYR 2.653 0.299 9 0 "[ . 1 .]" 1 58 PRO 0.183 0.118 6 0 "[ . 1 .]" 1 59 THR 2.704 0.465 13 0 "[ . 1 .]" 1 60 GLU 0.822 0.140 4 0 "[ . 1 .]" 1 61 MET 5.619 0.420 10 0 "[ . 1 .]" 1 62 GLU 0.190 0.069 9 0 "[ . 1 .]" 1 63 LEU 1.388 0.465 13 0 "[ . 1 .]" 1 64 ILE 7.939 0.420 10 0 "[ . 1 .]" 1 65 GLU 0.867 0.191 12 0 "[ . 1 .]" 1 66 LEU 2.837 0.368 9 0 "[ . 1 .]" 1 67 SER 5.453 0.289 11 0 "[ . 1 .]" 1 68 GLN 7.298 0.430 8 0 "[ . 1 .]" 1 69 GLN 0.425 0.132 11 0 "[ . 1 .]" 1 70 ILE 7.683 0.291 10 0 "[ . 1 .]" 1 71 ASN 4.870 0.430 8 0 "[ . 1 .]" 1 72 MET 0.352 0.135 7 0 "[ . 1 .]" 1 73 ASN 1.589 0.310 8 0 "[ . 1 .]" 1 74 LEU 2.192 0.310 8 0 "[ . 1 .]" 1 75 GLY 1.232 0.195 15 0 "[ . 1 .]" 1 76 GLY 0.805 0.335 15 0 "[ . 1 .]" 1 77 HIS 1.767 0.335 15 0 "[ . 1 .]" 1 78 VAL 7.222 0.300 6 0 "[ . 1 .]" 1 79 ASP 8.236 0.461 14 0 "[ . 1 .]" 1 80 PHE 0.289 0.104 6 0 "[ . 1 .]" 1 81 ASP 10.987 0.461 14 0 "[ . 1 .]" 1 82 ASP 5.483 0.233 13 0 "[ . 1 .]" 1 83 PHE 1.401 0.156 6 0 "[ . 1 .]" 1 84 VAL 2.361 0.221 4 0 "[ . 1 .]" 1 85 GLU 1.767 0.140 7 0 "[ . 1 .]" 1 86 LEU 3.189 0.205 5 0 "[ . 1 .]" 1 87 MET 1.200 0.205 5 0 "[ . 1 .]" 1 88 GLY 0.297 0.068 11 0 "[ . 1 .]" 1 89 PRO 0.000 0.000 . 0 "[ . 1 .]" 1 90 LYS 0.492 0.165 14 0 "[ . 1 .]" 1 91 LEU 0.788 0.165 14 0 "[ . 1 .]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 18 SER HA 1 19 LEU H 2.900 . 2.900 2.441 2.152 2.949 0.049 5 0 "[ . 1 .]" 1 2 1 18 SER QB 1 19 LEU H 2.900 . 3.900 3.316 1.810 3.903 0.003 6 0 "[ . 1 .]" 1 3 1 19 LEU H 1 20 ARG H 5.000 . 5.000 3.888 2.687 4.625 . 0 0 "[ . 1 .]" 1 4 1 19 LEU MD2 1 20 ARG H 5.000 . 6.500 4.227 3.118 5.505 . 0 0 "[ . 1 .]" 1 5 1 20 ARG H 1 23 GLU H 5.000 . 5.000 4.265 3.285 5.102 0.102 2 0 "[ . 1 .]" 1 6 1 20 ARG H 1 24 ILE H 5.000 . 5.000 4.862 4.373 5.132 0.132 11 0 "[ . 1 .]" 1 7 1 21 PRO HA 1 24 ILE H 3.500 . 3.500 3.454 3.098 3.621 0.121 13 0 "[ . 1 .]" 1 8 1 21 PRO HA 1 24 ILE MD 3.300 . 4.800 3.305 2.265 4.616 . 0 0 "[ . 1 .]" 1 9 1 21 PRO HA 1 24 ILE QG 5.000 . 6.500 3.442 2.154 5.083 . 0 0 "[ . 1 .]" 1 10 1 21 PRO QB 1 24 ILE MD 5.000 . 7.000 4.636 3.271 5.962 . 0 0 "[ . 1 .]" 1 11 1 22 GLU H 1 22 GLU QB 2.900 . 3.900 2.353 2.246 2.701 . 0 0 "[ . 1 .]" 1 12 1 22 GLU H 1 23 GLU H 5.000 . 5.000 2.509 2.235 2.736 . 0 0 "[ . 1 .]" 1 13 1 22 GLU HA 1 25 GLU QB 2.900 . 3.900 3.270 2.801 3.990 0.090 8 0 "[ . 1 .]" 1 14 1 22 GLU QB 1 24 ILE H 5.000 . 6.000 4.869 4.527 5.358 . 0 0 "[ . 1 .]" 1 15 1 23 GLU H 1 23 GLU HA 2.900 . 2.900 2.894 2.834 2.939 0.039 13 0 "[ . 1 .]" 1 16 1 23 GLU H 1 23 GLU QB 2.900 . 3.900 2.319 2.253 2.362 . 0 0 "[ . 1 .]" 1 17 1 23 GLU H 1 24 ILE H 2.900 . 2.900 2.401 2.278 2.573 . 0 0 "[ . 1 .]" 1 18 1 23 GLU H 1 24 ILE HA 5.000 . 5.000 5.045 4.962 5.163 0.163 11 0 "[ . 1 .]" 1 19 1 23 GLU H 1 24 ILE QG 5.000 . 6.500 4.333 3.192 6.072 . 0 0 "[ . 1 .]" 1 20 1 23 GLU H 1 25 GLU H 5.000 . 5.000 3.973 3.429 4.407 . 0 0 "[ . 1 .]" 1 21 1 23 GLU HA 1 26 GLU QB 2.900 . 3.900 3.267 2.701 3.871 . 0 0 "[ . 1 .]" 1 22 1 24 ILE H 1 24 ILE HA 2.900 . 2.900 2.813 2.718 2.841 . 0 0 "[ . 1 .]" 1 23 1 24 ILE H 1 24 ILE MD 2.900 . 4.400 3.303 1.951 4.259 . 0 0 "[ . 1 .]" 1 24 1 24 ILE H 1 24 ILE QG 2.900 . 3.900 2.503 1.812 3.950 0.050 7 0 "[ . 1 .]" 1 25 1 24 ILE H 1 25 GLU H 2.900 . 2.900 2.681 2.560 2.901 0.001 5 0 "[ . 1 .]" 1 26 1 24 ILE HA 1 24 ILE MD 2.900 . 4.400 3.155 2.041 4.127 . 0 0 "[ . 1 .]" 1 27 1 24 ILE HA 1 24 ILE MG 2.900 . 4.400 2.521 2.254 3.192 . 0 0 "[ . 1 .]" 1 28 1 24 ILE HA 1 27 LEU H 3.500 . 3.500 3.319 3.068 3.599 0.099 6 0 "[ . 1 .]" 1 29 1 24 ILE HA 1 27 LEU QB 2.900 . 3.900 2.752 2.404 3.076 . 0 0 "[ . 1 .]" 1 30 1 24 ILE HA 1 27 LEU MD1 3.300 . 4.800 2.900 2.108 4.873 0.073 4 0 "[ . 1 .]" 1 31 1 24 ILE HA 1 27 LEU MD2 5.000 . 6.500 4.129 2.631 5.107 . 0 0 "[ . 1 .]" 1 32 1 24 ILE HA 1 84 VAL MG2 3.300 . 4.800 4.184 3.673 4.611 . 0 0 "[ . 1 .]" 1 33 1 24 ILE HB 1 24 ILE MD 2.900 . 4.400 2.600 2.245 3.233 . 0 0 "[ . 1 .]" 1 34 1 24 ILE MD 1 80 PHE HZ 5.000 . 6.500 4.335 3.292 5.202 . 0 0 "[ . 1 .]" 1 35 1 24 ILE MD 1 84 VAL HA 6.000 2.800 7.500 6.393 4.956 7.500 . 0 0 "[ . 1 .]" 1 36 1 24 ILE MD 1 84 VAL MG2 3.300 . 6.300 4.159 3.149 5.096 . 0 0 "[ . 1 .]" 1 37 1 24 ILE QG 1 25 GLU H 3.500 . 4.500 3.887 2.151 4.492 . 0 0 "[ . 1 .]" 1 38 1 24 ILE QG 1 84 VAL MG1 3.300 . 5.800 3.698 2.299 5.050 . 0 0 "[ . 1 .]" 1 39 1 24 ILE QG 1 84 VAL MG2 2.900 . 5.900 4.387 3.100 5.771 . 0 0 "[ . 1 .]" 1 40 1 24 ILE MG 1 80 PHE QD 5.000 . 8.500 5.158 4.114 6.676 . 0 0 "[ . 1 .]" 1 41 1 24 ILE MG 1 80 PHE QE 2.900 . 6.400 3.374 2.247 4.825 . 0 0 "[ . 1 .]" 1 42 1 24 ILE MG 1 80 PHE HZ 2.900 . 4.400 2.892 2.088 4.463 0.063 14 0 "[ . 1 .]" 1 43 1 24 ILE MG 1 84 VAL MG2 2.900 . 5.900 3.726 2.608 5.308 . 0 0 "[ . 1 .]" 1 44 1 25 GLU H 1 25 GLU HA 2.900 . 2.900 2.797 2.714 2.842 . 0 0 "[ . 1 .]" 1 45 1 25 GLU H 1 25 GLU QB 2.900 . 3.900 2.306 2.200 2.471 . 0 0 "[ . 1 .]" 1 46 1 25 GLU H 1 26 GLU H 2.900 . 2.900 2.728 2.582 2.918 0.018 4 0 "[ . 1 .]" 1 47 1 25 GLU HA 1 28 ARG H 3.500 . 3.500 3.483 3.390 3.607 0.107 9 0 "[ . 1 .]" 1 48 1 25 GLU HA 1 28 ARG QB 2.900 . 3.900 2.819 2.548 3.537 . 0 0 "[ . 1 .]" 1 49 1 26 GLU H 1 26 GLU HA 2.900 . 2.900 2.834 2.819 2.859 . 0 0 "[ . 1 .]" 1 50 1 26 GLU H 1 26 GLU QG 2.900 . 3.900 2.981 2.091 4.031 0.131 3 0 "[ . 1 .]" 1 51 1 26 GLU H 1 27 LEU H 2.900 . 2.900 2.626 2.502 2.713 . 0 0 "[ . 1 .]" 1 52 1 26 GLU H 1 28 ARG H 5.000 . 5.000 4.088 3.975 4.319 . 0 0 "[ . 1 .]" 1 53 1 26 GLU HA 1 29 GLU QB 2.900 . 3.900 3.180 2.840 3.555 . 0 0 "[ . 1 .]" 1 54 1 27 LEU H 1 27 LEU QB 2.900 . 3.900 2.361 2.191 2.564 . 0 0 "[ . 1 .]" 1 55 1 27 LEU H 1 27 LEU QD 2.900 . 4.400 2.709 1.776 3.308 0.024 5 0 "[ . 1 .]" 1 56 1 27 LEU H 1 28 ARG H 2.900 . 2.900 2.618 2.566 2.684 . 0 0 "[ . 1 .]" 1 57 1 27 LEU H 1 80 PHE QE 3.500 . 5.500 4.909 4.621 5.076 . 0 0 "[ . 1 .]" 1 58 1 27 LEU H 1 80 PHE HZ 5.000 . 5.000 4.821 4.413 5.021 0.021 8 0 "[ . 1 .]" 1 59 1 27 LEU H 1 84 VAL MG2 5.000 . 6.500 5.079 4.768 5.469 . 0 0 "[ . 1 .]" 1 60 1 27 LEU HA 1 27 LEU MD1 3.300 . 4.800 3.394 2.139 3.818 . 0 0 "[ . 1 .]" 1 61 1 27 LEU HA 1 27 LEU MD2 2.900 . 4.400 2.265 2.072 3.678 . 0 0 "[ . 1 .]" 1 62 1 27 LEU HA 1 28 ARG H 5.000 . 5.000 3.519 3.497 3.543 . 0 0 "[ . 1 .]" 1 63 1 27 LEU HA 1 29 GLU H 5.000 . 5.000 4.278 4.147 4.395 . 0 0 "[ . 1 .]" 1 64 1 27 LEU HA 1 30 ALA H 3.500 . 3.500 3.397 3.168 3.531 0.031 2 0 "[ . 1 .]" 1 65 1 27 LEU HA 1 30 ALA MB 2.900 . 3.900 2.839 2.355 3.239 . 0 0 "[ . 1 .]" 1 66 1 27 LEU HA 1 31 PHE H 5.000 . 5.000 4.178 3.677 4.697 . 0 0 "[ . 1 .]" 1 67 1 27 LEU QB 1 27 LEU MD2 2.900 . 5.400 2.213 2.101 2.327 . 0 0 "[ . 1 .]" 1 68 1 27 LEU QB 1 28 ARG H 3.500 . 4.500 2.647 2.559 2.764 . 0 0 "[ . 1 .]" 1 69 1 27 LEU QB 1 84 VAL H 5.000 . 6.000 5.515 5.110 5.945 . 0 0 "[ . 1 .]" 1 70 1 27 LEU QB 1 84 VAL MG1 3.300 . 5.800 3.751 3.626 3.972 . 0 0 "[ . 1 .]" 1 71 1 27 LEU QB 1 84 VAL MG2 3.300 . 5.800 2.440 2.181 2.849 . 0 0 "[ . 1 .]" 1 72 1 27 LEU QD 1 30 ALA MB 2.900 . 6.300 3.397 3.069 3.837 . 0 0 "[ . 1 .]" 1 73 1 27 LEU MD1 1 84 VAL HA 3.300 . 4.800 3.348 2.514 4.849 0.049 14 0 "[ . 1 .]" 1 74 1 27 LEU MD1 1 84 VAL MG2 3.300 . 6.300 2.603 2.203 3.977 . 0 0 "[ . 1 .]" 1 75 1 27 LEU MD1 1 87 MET QB 5.000 . 7.500 3.555 2.478 4.392 . 0 0 "[ . 1 .]" 1 76 1 27 LEU MD2 1 28 ARG H 3.500 . 5.000 4.507 3.860 4.816 . 0 0 "[ . 1 .]" 1 77 1 27 LEU MD2 1 29 GLU H 5.000 . 6.500 5.628 5.046 6.580 0.080 14 0 "[ . 1 .]" 1 78 1 27 LEU MD2 1 30 ALA H 5.000 . 6.500 4.938 4.650 6.192 . 0 0 "[ . 1 .]" 1 79 1 27 LEU MD2 1 31 PHE H 5.000 . 6.500 5.306 4.910 5.930 . 0 0 "[ . 1 .]" 1 80 1 27 LEU MD2 1 54 MET ME 2.900 . 5.900 3.955 2.005 5.925 0.025 14 0 "[ . 1 .]" 1 81 1 27 LEU MD2 1 83 PHE QD 3.300 . 6.800 4.768 2.971 6.087 . 0 0 "[ . 1 .]" 1 82 1 27 LEU MD2 1 83 PHE QE 2.900 . 6.400 3.325 2.480 4.700 . 0 0 "[ . 1 .]" 1 83 1 27 LEU MD2 1 84 VAL MG2 5.000 . 8.000 3.620 2.192 4.518 . 0 0 "[ . 1 .]" 1 84 1 28 ARG H 1 28 ARG HA 2.900 . 2.900 2.801 2.777 2.819 . 0 0 "[ . 1 .]" 1 85 1 28 ARG H 1 28 ARG QB 2.900 . 3.900 2.260 2.174 2.397 . 0 0 "[ . 1 .]" 1 86 1 28 ARG H 1 28 ARG QG 3.500 . 4.500 3.735 2.162 4.048 . 0 0 "[ . 1 .]" 1 87 1 28 ARG H 1 29 GLU H 2.900 . 2.900 2.725 2.655 2.806 . 0 0 "[ . 1 .]" 1 88 1 28 ARG H 1 30 ALA H 5.000 . 5.000 4.267 4.153 4.353 . 0 0 "[ . 1 .]" 1 89 1 28 ARG H 1 31 PHE QB 5.000 . 6.000 4.846 4.686 4.964 . 0 0 "[ . 1 .]" 1 90 1 28 ARG H 1 31 PHE QD 5.000 . 7.000 6.796 6.664 6.888 . 0 0 "[ . 1 .]" 1 91 1 28 ARG H 1 80 PHE QE 3.500 . 5.500 3.394 3.220 3.580 . 0 0 "[ . 1 .]" 1 92 1 28 ARG H 1 80 PHE HZ 5.000 . 5.000 3.365 3.158 3.755 . 0 0 "[ . 1 .]" 1 93 1 28 ARG H 1 84 VAL MG2 5.000 . 6.500 4.717 4.336 4.984 . 0 0 "[ . 1 .]" 1 94 1 28 ARG HA 1 29 GLU H 5.000 . 5.000 3.541 3.520 3.550 . 0 0 "[ . 1 .]" 1 95 1 28 ARG HA 1 31 PHE QB 2.900 . 3.900 2.751 2.587 2.925 . 0 0 "[ . 1 .]" 1 96 1 28 ARG HA 1 80 PHE QE 2.900 . 4.900 2.413 2.306 2.675 . 0 0 "[ . 1 .]" 1 97 1 28 ARG QG 1 29 GLU H 5.000 . 6.000 3.776 3.589 4.158 . 0 0 "[ . 1 .]" 1 98 1 28 ARG QG 1 30 ALA H 5.000 . 6.000 5.346 5.066 5.730 . 0 0 "[ . 1 .]" 1 99 1 28 ARG QG 1 32 ARG H 5.000 . 6.000 4.290 3.735 5.848 . 0 0 "[ . 1 .]" 1 100 1 29 GLU H 1 29 GLU HA 2.900 . 2.900 2.812 2.765 2.863 . 0 0 "[ . 1 .]" 1 101 1 29 GLU H 1 30 ALA H 2.900 . 2.900 2.720 2.567 2.835 . 0 0 "[ . 1 .]" 1 102 1 29 GLU H 1 31 PHE H 5.000 . 5.000 4.278 4.093 4.411 . 0 0 "[ . 1 .]" 1 103 1 29 GLU H 1 31 PHE QB 5.000 . 6.000 4.935 4.827 5.046 . 0 0 "[ . 1 .]" 1 104 1 29 GLU H 1 80 PHE QE 5.000 . 7.000 5.127 5.015 5.325 . 0 0 "[ . 1 .]" 1 105 1 29 GLU HA 1 32 ARG QB 2.900 . 3.900 3.057 2.835 3.186 . 0 0 "[ . 1 .]" 1 106 1 30 ALA H 1 30 ALA HA 2.900 . 2.900 2.824 2.802 2.846 . 0 0 "[ . 1 .]" 1 107 1 30 ALA H 1 30 ALA MB 2.900 . 3.900 2.219 2.175 2.235 . 0 0 "[ . 1 .]" 1 108 1 30 ALA H 1 31 PHE H 2.900 . 2.900 2.722 2.619 2.771 . 0 0 "[ . 1 .]" 1 109 1 30 ALA H 1 31 PHE QB 5.000 . 6.000 4.413 4.361 4.457 . 0 0 "[ . 1 .]" 1 110 1 30 ALA H 1 31 PHE QD 5.000 . 7.000 6.340 6.263 6.392 . 0 0 "[ . 1 .]" 1 111 1 30 ALA H 1 32 ARG H 5.000 . 5.000 4.312 4.198 4.380 . 0 0 "[ . 1 .]" 1 112 1 30 ALA HA 1 31 PHE H 3.500 . 3.500 3.559 3.528 3.573 0.073 10 0 "[ . 1 .]" 1 113 1 30 ALA HA 1 32 ARG H 5.000 . 5.000 4.540 4.441 4.593 . 0 0 "[ . 1 .]" 1 114 1 30 ALA HA 1 33 GLU H 3.500 . 3.500 3.366 3.260 3.504 0.004 14 0 "[ . 1 .]" 1 115 1 30 ALA HA 1 33 GLU QB 2.900 . 3.900 2.386 2.207 2.552 . 0 0 "[ . 1 .]" 1 116 1 30 ALA MB 1 31 PHE H 2.900 . 3.900 2.382 2.277 2.576 . 0 0 "[ . 1 .]" 1 117 1 30 ALA MB 1 34 PHE H 5.000 . 6.500 4.847 4.453 5.379 . 0 0 "[ . 1 .]" 1 118 1 30 ALA MB 1 83 PHE QD 5.000 . 8.000 4.900 4.654 5.210 . 0 0 "[ . 1 .]" 1 119 1 30 ALA MB 1 83 PHE QE 2.900 . 5.900 3.142 2.780 3.545 . 0 0 "[ . 1 .]" 1 120 1 30 ALA MB 1 83 PHE HZ 2.900 . 3.900 3.320 3.084 3.517 . 0 0 "[ . 1 .]" 1 121 1 31 PHE H 1 31 PHE HA 2.900 . 2.900 2.767 2.744 2.798 . 0 0 "[ . 1 .]" 1 122 1 31 PHE H 1 31 PHE QB 3.500 . 4.500 2.216 2.166 2.250 . 0 0 "[ . 1 .]" 1 123 1 31 PHE H 1 31 PHE QD 3.500 . 4.500 4.105 3.970 4.174 . 0 0 "[ . 1 .]" 1 124 1 31 PHE H 1 42 ILE MG 5.000 . 6.500 6.504 6.306 6.642 0.142 11 0 "[ . 1 .]" 1 125 1 31 PHE H 1 80 PHE QB 6.000 2.800 7.000 6.268 5.908 6.646 . 0 0 "[ . 1 .]" 1 126 1 31 PHE H 1 80 PHE QD 5.000 . 7.000 4.483 4.344 4.625 . 0 0 "[ . 1 .]" 1 127 1 31 PHE H 1 80 PHE QE 3.500 . 5.500 4.097 3.884 4.357 . 0 0 "[ . 1 .]" 1 128 1 31 PHE H 1 83 PHE QD 3.500 . 5.500 4.812 4.494 5.264 . 0 0 "[ . 1 .]" 1 129 1 31 PHE H 1 83 PHE QE 3.500 . 5.500 3.664 3.338 4.421 . 0 0 "[ . 1 .]" 1 130 1 31 PHE H 1 83 PHE HZ 5.000 . 5.000 5.085 5.041 5.156 0.156 6 0 "[ . 1 .]" 1 131 1 31 PHE HA 1 32 ARG H 3.500 . 3.500 3.558 3.552 3.566 0.066 11 0 "[ . 1 .]" 1 132 1 31 PHE HA 1 34 PHE H 5.000 . 5.000 3.776 3.525 4.161 . 0 0 "[ . 1 .]" 1 133 1 31 PHE HA 1 34 PHE QB 2.900 . 3.900 3.310 2.816 4.025 0.125 12 0 "[ . 1 .]" 1 134 1 31 PHE HA 1 34 PHE QD 5.000 . 7.000 3.653 2.568 4.554 . 0 0 "[ . 1 .]" 1 135 1 31 PHE HA 1 35 ASP H 5.000 . 5.000 4.600 4.065 4.913 . 0 0 "[ . 1 .]" 1 136 1 31 PHE HA 1 42 ILE MD 3.300 . 4.800 3.424 3.211 3.659 . 0 0 "[ . 1 .]" 1 137 1 31 PHE QB 1 32 ARG H 2.900 . 3.900 2.342 2.295 2.406 . 0 0 "[ . 1 .]" 1 138 1 31 PHE QD 1 32 ARG H 3.500 . 5.600 3.395 3.037 3.825 . 0 0 "[ . 1 .]" 1 139 1 31 PHE QD 1 33 GLU H 5.000 . 7.000 5.341 4.979 5.765 . 0 0 "[ . 1 .]" 1 140 1 31 PHE QD 1 42 ILE MD 3.300 . 6.800 2.892 2.698 3.144 . 0 0 "[ . 1 .]" 1 141 1 31 PHE QD 1 78 VAL MG1 5.000 . 8.500 4.785 4.186 5.474 . 0 0 "[ . 1 .]" 1 142 1 31 PHE QD 1 78 VAL MG2 5.000 . 8.500 6.795 6.607 7.057 . 0 0 "[ . 1 .]" 1 143 1 31 PHE QD 1 80 PHE QD 3.300 . 7.300 2.675 2.311 2.995 . 0 0 "[ . 1 .]" 1 144 1 31 PHE QD 1 82 ASP H 5.000 . 7.000 6.846 6.652 7.047 0.047 6 0 "[ . 1 .]" 1 145 1 31 PHE QD 1 83 PHE QD 3.300 . 7.300 2.441 2.301 3.063 . 0 0 "[ . 1 .]" 1 146 1 31 PHE QE 1 39 ASP H 5.000 . 7.000 5.522 4.379 6.381 . 0 0 "[ . 1 .]" 1 147 1 31 PHE QE 1 40 GLY H 5.000 . 7.000 4.100 2.997 5.361 . 0 0 "[ . 1 .]" 1 148 1 31 PHE QE 1 40 GLY QA 5.000 . 8.000 3.017 2.298 4.794 . 0 0 "[ . 1 .]" 1 149 1 31 PHE QE 1 41 TYR H 3.500 . 5.500 3.443 2.169 4.884 . 0 0 "[ . 1 .]" 1 150 1 31 PHE QE 1 41 TYR HA 5.000 . 7.000 3.502 2.604 4.074 . 0 0 "[ . 1 .]" 1 151 1 31 PHE QE 1 41 TYR QD 2.900 . 6.900 5.061 4.223 5.496 . 0 0 "[ . 1 .]" 1 152 1 31 PHE QE 1 42 ILE H 3.500 . 5.500 3.987 3.414 4.375 . 0 0 "[ . 1 .]" 1 153 1 31 PHE QE 1 42 ILE MD 2.900 . 6.400 2.330 2.162 2.654 . 0 0 "[ . 1 .]" 1 154 1 31 PHE QE 1 42 ILE MG 3.300 . 6.800 2.876 2.581 3.149 . 0 0 "[ . 1 .]" 1 155 1 31 PHE QE 1 79 ASP HA 3.300 . 5.300 3.603 3.256 3.901 . 0 0 "[ . 1 .]" 1 156 1 31 PHE QE 1 80 PHE H 5.000 . 7.000 3.293 2.913 3.663 . 0 0 "[ . 1 .]" 1 157 1 31 PHE QE 1 83 PHE H 5.000 . 7.400 4.142 4.027 4.397 . 0 0 "[ . 1 .]" 1 158 1 31 PHE HZ 1 41 TYR H 5.000 . 5.000 4.114 3.153 5.128 0.128 9 0 "[ . 1 .]" 1 159 1 31 PHE HZ 1 41 TYR HA 3.300 . 3.300 2.491 2.241 2.884 . 0 0 "[ . 1 .]" 1 160 1 31 PHE HZ 1 42 ILE H 3.500 . 3.500 2.917 2.179 3.525 0.025 8 0 "[ . 1 .]" 1 161 1 31 PHE HZ 1 79 ASP HA . . 2.900 3.003 2.942 3.089 0.189 2 0 "[ . 1 .]" 1 162 1 31 PHE HZ 1 80 PHE H 3.500 . 3.500 3.062 2.837 3.501 0.001 9 0 "[ . 1 .]" 1 163 1 32 ARG H 1 32 ARG HA 2.900 . 2.900 2.837 2.804 2.857 . 0 0 "[ . 1 .]" 1 164 1 32 ARG H 1 32 ARG QB 2.900 . 3.900 2.312 2.147 2.469 . 0 0 "[ . 1 .]" 1 165 1 32 ARG H 1 33 GLU H 2.900 . 2.900 2.621 2.573 2.737 . 0 0 "[ . 1 .]" 1 166 1 32 ARG H 1 34 PHE H 5.000 . 5.000 4.065 3.870 4.416 . 0 0 "[ . 1 .]" 1 167 1 32 ARG H 1 80 PHE QE 5.000 . 7.000 5.676 5.170 6.043 . 0 0 "[ . 1 .]" 1 168 1 32 ARG HA 1 35 ASP H 2.900 . 2.900 3.047 2.913 3.186 0.286 14 0 "[ . 1 .]" 1 169 1 32 ARG HA 1 35 ASP QB 3.300 . 4.300 2.231 2.043 2.757 . 0 0 "[ . 1 .]" 1 170 1 33 GLU H 1 33 GLU HA 2.900 . 2.900 2.790 2.728 2.842 . 0 0 "[ . 1 .]" 1 171 1 33 GLU H 1 34 PHE H 2.900 . 2.900 2.709 2.572 2.940 0.040 8 0 "[ . 1 .]" 1 172 1 33 GLU H 1 42 ILE MG 5.000 . 6.500 6.489 6.197 6.595 0.095 11 0 "[ . 1 .]" 1 173 1 33 GLU HA 1 34 PHE H 3.500 . 3.500 3.467 3.390 3.552 0.052 8 0 "[ . 1 .]" 1 174 1 34 PHE H 1 34 PHE HA 2.900 . 2.900 2.940 2.855 2.964 0.064 7 0 "[ . 1 .]" 1 175 1 34 PHE H 1 34 PHE QB 2.900 . 3.900 2.384 2.223 2.706 . 0 0 "[ . 1 .]" 1 176 1 34 PHE H 1 35 ASP H 2.900 . 2.900 2.231 2.036 2.497 . 0 0 "[ . 1 .]" 1 177 1 34 PHE H 1 35 ASP HA 5.000 . 5.000 4.709 4.328 5.143 0.143 8 0 "[ . 1 .]" 1 178 1 34 PHE H 1 42 ILE MG 5.000 . 6.500 4.813 4.460 5.127 . 0 0 "[ . 1 .]" 1 179 1 34 PHE HA 1 34 PHE QD 3.300 . 5.300 2.512 2.266 2.960 . 0 0 "[ . 1 .]" 1 180 1 34 PHE QB 1 42 ILE MG 2.900 . 5.400 3.326 2.666 3.714 . 0 0 "[ . 1 .]" 1 181 1 34 PHE QD 1 50 CYS HA 3.300 . 5.300 4.055 3.752 4.642 . 0 0 "[ . 1 .]" 1 182 1 34 PHE QE 1 46 ASP HA 5.000 . 7.000 5.018 4.164 5.964 . 0 0 "[ . 1 .]" 1 183 1 34 PHE QE 1 47 LEU H 5.000 . 7.000 7.007 6.746 7.113 0.113 11 0 "[ . 1 .]" 1 184 1 34 PHE QE 1 49 ASN QB 5.000 . 8.000 2.981 2.233 4.322 . 0 0 "[ . 1 .]" 1 185 1 34 PHE QE 1 50 CYS H 5.000 . 7.000 4.235 3.215 4.742 . 0 0 "[ . 1 .]" 1 186 1 34 PHE QE 1 50 CYS HA 2.900 . 4.900 2.617 2.313 3.143 . 0 0 "[ . 1 .]" 1 187 1 34 PHE QE 1 50 CYS QB 3.300 . 6.300 2.899 2.198 3.578 . 0 0 "[ . 1 .]" 1 188 1 34 PHE QE 1 51 MET H 5.000 . 7.000 5.545 5.037 5.943 . 0 0 "[ . 1 .]" 1 189 1 34 PHE QE 1 53 THR HB 3.300 . 5.300 3.607 2.906 4.248 . 0 0 "[ . 1 .]" 1 190 1 34 PHE QE 1 53 THR HG1 2.900 . 6.400 2.993 2.244 3.690 . 0 0 "[ . 1 .]" 1 191 1 34 PHE HZ 1 50 CYS H 5.000 . 5.000 4.661 3.821 5.067 0.067 14 0 "[ . 1 .]" 1 192 1 34 PHE HZ 1 50 CYS HA 3.300 . 3.300 2.668 2.309 3.194 . 0 0 "[ . 1 .]" 1 193 1 34 PHE HZ 1 53 THR H 5.000 . 5.000 4.546 4.135 5.006 0.006 7 0 "[ . 1 .]" 1 194 1 34 PHE HZ 1 53 THR HG1 2.900 . 4.400 2.533 1.834 3.618 . 0 0 "[ . 1 .]" 1 195 1 35 ASP H 1 35 ASP HA 2.900 . 2.900 2.833 2.320 2.924 0.024 11 0 "[ . 1 .]" 1 196 1 35 ASP H 1 35 ASP QB 2.900 . 3.900 2.300 2.073 2.740 . 0 0 "[ . 1 .]" 1 197 1 35 ASP H 1 42 ILE MG 2.900 . 4.400 3.807 3.045 4.098 . 0 0 "[ . 1 .]" 1 198 1 35 ASP HA 1 36 LYS H 3.500 . 3.500 2.608 2.160 3.561 0.061 7 0 "[ . 1 .]" 1 199 1 35 ASP HA 1 37 ASP H 5.000 . 5.000 4.141 3.002 5.039 0.039 14 0 "[ . 1 .]" 1 200 1 35 ASP HA 1 38 LYS H 5.000 . 5.000 4.239 3.662 5.154 0.154 13 0 "[ . 1 .]" 1 201 1 35 ASP HA 1 42 ILE MG 2.900 . 4.400 2.437 1.992 3.304 . 0 0 "[ . 1 .]" 1 202 1 35 ASP QB 1 42 ILE MD 2.900 . 5.400 4.513 3.324 5.726 0.326 12 0 "[ . 1 .]" 1 203 1 35 ASP QB 1 42 ILE MG 2.900 . 5.400 3.014 2.005 4.226 . 0 0 "[ . 1 .]" 1 204 1 36 LYS H 1 37 ASP H 5.000 . 5.000 2.976 1.696 3.831 0.104 3 0 "[ . 1 .]" 1 205 1 36 LYS H 1 42 ILE MG 5.000 . 6.500 4.119 2.850 5.289 . 0 0 "[ . 1 .]" 1 206 1 37 ASP H 1 37 ASP QB 3.500 . 4.500 3.104 2.285 3.532 . 0 0 "[ . 1 .]" 1 207 1 37 ASP H 1 38 LYS H 2.900 . 2.900 2.283 1.737 2.956 0.063 5 0 "[ . 1 .]" 1 208 1 37 ASP H 1 38 LYS QG 5.000 . 6.000 5.121 2.720 6.327 0.327 10 0 "[ . 1 .]" 1 209 1 37 ASP HA 1 38 LYS H 3.500 . 3.500 3.488 3.368 3.566 0.066 11 0 "[ . 1 .]" 1 210 1 37 ASP QB 1 38 LYS H 3.500 . 4.500 3.308 2.357 3.772 . 0 0 "[ . 1 .]" 1 211 1 38 LYS H 1 38 LYS HA 2.900 . 2.900 2.496 2.241 2.955 0.055 11 0 "[ . 1 .]" 1 212 1 38 LYS H 1 38 LYS QB 2.900 . 3.900 2.827 2.498 3.342 . 0 0 "[ . 1 .]" 1 213 1 38 LYS H 1 38 LYS QD 3.500 . 4.500 3.842 2.593 4.559 0.059 12 0 "[ . 1 .]" 1 214 1 38 LYS H 1 38 LYS QG 2.900 . 3.900 3.539 2.490 4.256 0.356 10 0 "[ . 1 .]" 1 215 1 38 LYS H 1 39 ASP H 2.900 . 2.900 2.505 1.767 2.975 0.075 10 0 "[ . 1 .]" 1 216 1 38 LYS H 1 40 GLY H 5.000 . 5.000 4.027 3.181 4.619 . 0 0 "[ . 1 .]" 1 217 1 38 LYS HA 1 39 ASP H 2.900 . 2.900 2.907 2.512 3.269 0.369 11 0 "[ . 1 .]" 1 218 1 38 LYS HA 1 40 GLY H 3.500 . 3.500 3.300 2.868 3.839 0.339 11 0 "[ . 1 .]" 1 219 1 38 LYS HA 1 41 TYR H 5.000 . 5.000 4.872 4.355 5.351 0.351 9 0 "[ . 1 .]" 1 220 1 38 LYS QB 1 40 GLY H 5.000 . 6.000 3.902 2.405 5.039 . 0 0 "[ . 1 .]" 1 221 1 38 LYS QD 1 41 TYR H 5.000 . 6.000 5.416 4.002 6.263 0.263 14 0 "[ . 1 .]" 1 222 1 38 LYS QG 1 39 ASP H 3.500 . 4.500 4.469 4.173 4.773 0.273 9 0 "[ . 1 .]" 1 223 1 38 LYS QG 1 40 GLY H 5.000 . 6.000 4.463 3.251 5.621 . 0 0 "[ . 1 .]" 1 224 1 39 ASP H 1 39 ASP HA 2.900 . 2.900 2.731 2.298 2.961 0.061 4 0 "[ . 1 .]" 1 225 1 39 ASP H 1 39 ASP QB 2.900 . 3.900 2.940 2.471 3.408 . 0 0 "[ . 1 .]" 1 226 1 39 ASP H 1 40 GLY H 2.900 . 2.900 2.453 1.914 2.827 . 0 0 "[ . 1 .]" 1 227 1 39 ASP H 1 40 GLY QA 5.000 . 6.000 4.386 3.878 4.739 . 0 0 "[ . 1 .]" 1 228 1 39 ASP H 1 41 TYR H 3.500 . 3.500 3.533 3.113 3.805 0.305 13 0 "[ . 1 .]" 1 229 1 39 ASP H 1 41 TYR QD 5.000 . 7.000 5.823 4.619 6.838 . 0 0 "[ . 1 .]" 1 230 1 39 ASP H 1 42 ILE MG 5.000 . 6.500 4.847 4.333 5.257 . 0 0 "[ . 1 .]" 1 231 1 39 ASP HA 1 40 GLY H 3.500 . 3.500 3.260 3.179 3.317 . 0 0 "[ . 1 .]" 1 232 1 39 ASP HA 1 41 TYR H 5.000 . 5.000 4.677 4.094 5.065 0.065 15 0 "[ . 1 .]" 1 233 1 39 ASP QB 1 40 GLY H 5.000 . 6.000 3.652 3.311 3.924 . 0 0 "[ . 1 .]" 1 234 1 40 GLY H 1 41 TYR H 2.900 . 2.900 2.301 1.689 2.814 0.111 11 0 "[ . 1 .]" 1 235 1 40 GLY H 1 41 TYR HA 5.000 . 5.000 4.864 4.427 5.180 0.180 14 0 "[ . 1 .]" 1 236 1 40 GLY H 1 41 TYR QB 5.000 . 6.000 4.479 3.474 5.442 . 0 0 "[ . 1 .]" 1 237 1 40 GLY H 1 41 TYR QD 5.000 . 7.000 4.690 3.310 5.430 . 0 0 "[ . 1 .]" 1 238 1 40 GLY H 1 42 ILE MG 5.000 . 6.500 4.859 4.560 5.409 . 0 0 "[ . 1 .]" 1 239 1 40 GLY QA 1 41 TYR H 3.500 . 4.500 2.775 2.659 2.904 . 0 0 "[ . 1 .]" 1 240 1 41 TYR H 1 41 TYR HA 2.900 . 2.900 2.912 2.850 2.965 0.065 12 0 "[ . 1 .]" 1 241 1 41 TYR H 1 41 TYR QB 2.900 . 3.900 2.864 2.598 3.230 . 0 0 "[ . 1 .]" 1 242 1 41 TYR H 1 41 TYR QD 2.900 . 4.900 3.618 2.539 4.383 . 0 0 "[ . 1 .]" 1 243 1 41 TYR H 1 42 ILE H 5.000 . 5.000 4.328 4.167 4.481 . 0 0 "[ . 1 .]" 1 244 1 41 TYR H 1 42 ILE MG 5.000 . 6.500 3.649 3.131 4.631 . 0 0 "[ . 1 .]" 1 245 1 41 TYR HA 1 42 ILE H 2.900 . 2.900 2.267 2.145 2.401 . 0 0 "[ . 1 .]" 1 246 1 41 TYR HA 1 78 VAL H 5.000 . 5.000 4.937 4.364 5.237 0.237 11 0 "[ . 1 .]" 1 247 1 41 TYR HA 1 79 ASP HA 3.300 . 3.300 3.082 2.525 3.458 0.158 9 0 "[ . 1 .]" 1 248 1 41 TYR QB 1 42 ILE H 3.500 . 4.500 2.859 2.324 3.635 . 0 0 "[ . 1 .]" 1 249 1 41 TYR QB 1 78 VAL H 5.000 . 6.000 4.399 2.688 5.901 . 0 0 "[ . 1 .]" 1 250 1 41 TYR QD 1 42 ILE H 5.000 . 7.000 3.477 2.344 4.407 . 0 0 "[ . 1 .]" 1 251 1 41 TYR QD 1 78 VAL H 5.000 . 7.000 4.516 3.109 5.742 . 0 0 "[ . 1 .]" 1 252 1 41 TYR QD 1 79 ASP H 5.000 . 7.000 4.944 4.228 5.920 . 0 0 "[ . 1 .]" 1 253 1 41 TYR QD 1 79 ASP HA 3.300 . 5.300 3.294 2.302 4.325 . 0 0 "[ . 1 .]" 1 254 1 41 TYR QD 1 80 PHE H 3.500 . 5.500 4.765 3.136 5.604 0.104 6 0 "[ . 1 .]" 1 255 1 42 ILE H 1 42 ILE QG 2.900 . 3.900 2.235 1.833 2.438 . 0 0 "[ . 1 .]" 1 256 1 42 ILE H 1 42 ILE MG 3.500 . 5.100 2.996 2.666 3.207 . 0 0 "[ . 1 .]" 1 257 1 42 ILE H 1 43 ASN H 5.000 . 5.000 4.353 4.207 4.399 . 0 0 "[ . 1 .]" 1 258 1 42 ILE H 1 77 HIS HA 5.000 . 5.000 4.745 4.460 5.073 0.073 9 0 "[ . 1 .]" 1 259 1 42 ILE H 1 77 HIS QB 5.000 . 6.000 4.701 3.685 5.790 . 0 0 "[ . 1 .]" 1 260 1 42 ILE H 1 78 VAL H 3.500 . 3.500 3.144 2.854 3.423 . 0 0 "[ . 1 .]" 1 261 1 42 ILE H 1 78 VAL HB 5.000 . 5.000 4.138 3.264 4.489 . 0 0 "[ . 1 .]" 1 262 1 42 ILE H 1 78 VAL MG1 3.500 . 5.000 4.679 4.093 5.125 0.125 5 0 "[ . 1 .]" 1 263 1 42 ILE HA 1 42 ILE MD 3.300 . 4.800 4.124 4.117 4.132 . 0 0 "[ . 1 .]" 1 264 1 42 ILE HA 1 42 ILE MG 2.900 . 4.400 2.285 2.245 2.331 . 0 0 "[ . 1 .]" 1 265 1 42 ILE HA 1 43 ASN H 2.900 . 2.900 2.604 2.093 2.777 . 0 0 "[ . 1 .]" 1 266 1 42 ILE HB 1 43 ASN H 2.900 . 2.900 2.086 1.808 3.261 0.361 6 0 "[ . 1 .]" 1 267 1 42 ILE HB 1 78 VAL H 5.000 . 5.000 5.057 4.862 5.300 0.300 6 0 "[ . 1 .]" 1 268 1 42 ILE HB 1 78 VAL MG1 5.000 . 6.500 5.459 4.511 6.066 . 0 0 "[ . 1 .]" 1 269 1 42 ILE MD 1 47 LEU H 3.500 . 5.000 4.167 3.625 4.537 . 0 0 "[ . 1 .]" 1 270 1 42 ILE MD 1 47 LEU HA 2.900 . 4.400 3.614 2.965 4.018 . 0 0 "[ . 1 .]" 1 271 1 42 ILE MD 1 47 LEU QB 2.900 . 5.400 3.647 3.034 4.360 . 0 0 "[ . 1 .]" 1 272 1 42 ILE MD 1 47 LEU MD1 2.900 . 5.900 3.317 1.975 5.135 . 0 0 "[ . 1 .]" 1 273 1 42 ILE MD 1 50 CYS H 5.000 . 6.500 5.833 5.263 6.473 . 0 0 "[ . 1 .]" 1 274 1 42 ILE MD 1 50 CYS QB 3.300 . 5.800 4.371 3.749 5.018 . 0 0 "[ . 1 .]" 1 275 1 42 ILE MD 1 78 VAL HB 5.000 . 6.500 3.389 3.025 3.965 . 0 0 "[ . 1 .]" 1 276 1 42 ILE MD 1 78 VAL MG1 3.300 . 6.300 3.273 2.225 4.310 . 0 0 "[ . 1 .]" 1 277 1 42 ILE MD 1 78 VAL MG2 2.900 . 5.900 4.312 3.999 4.705 . 0 0 "[ . 1 .]" 1 278 1 42 ILE MD 1 83 PHE QD 3.300 . 6.700 3.636 2.354 3.990 . 0 0 "[ . 1 .]" 1 279 1 42 ILE MD 1 83 PHE QE 3.300 2.200 6.800 4.570 3.600 4.892 . 0 0 "[ . 1 .]" 1 280 1 42 ILE QG 1 43 ASN H 5.000 . 6.500 3.167 2.760 4.049 . 0 0 "[ . 1 .]" 1 281 1 42 ILE MG 1 43 ASN H 2.900 . 4.400 3.602 3.496 4.003 . 0 0 "[ . 1 .]" 1 282 1 42 ILE MG 1 46 ASP H 5.000 . 6.500 5.229 4.605 5.527 . 0 0 "[ . 1 .]" 1 283 1 42 ILE MG 1 46 ASP QB 5.000 . 7.500 4.166 2.800 5.076 . 0 0 "[ . 1 .]" 1 284 1 42 ILE MG 1 78 VAL H 5.000 . 6.500 5.200 5.063 5.356 . 0 0 "[ . 1 .]" 1 285 1 42 ILE MG 1 83 PHE QE 3.300 . 6.800 6.547 5.765 6.817 0.017 9 0 "[ . 1 .]" 1 286 1 43 ASN H 1 43 ASN QB 3.500 . 4.600 3.050 2.281 3.232 . 0 0 "[ . 1 .]" 1 287 1 43 ASN H 1 46 ASP H 5.000 . 5.000 3.867 3.075 4.948 . 0 0 "[ . 1 .]" 1 288 1 43 ASN HA 1 44 CYS H 5.000 . 5.000 2.578 2.437 2.702 . 0 0 "[ . 1 .]" 1 289 1 43 ASN QB 1 77 HIS H 3.500 . 4.500 4.461 4.079 4.668 0.168 14 0 "[ . 1 .]" 1 290 1 43 ASN QB 1 78 VAL H 2.900 . 3.900 4.068 3.900 4.197 0.297 11 0 "[ . 1 .]" 1 291 1 43 ASN QB 1 78 VAL MG2 3.300 . 5.800 4.229 3.641 4.967 . 0 0 "[ . 1 .]" 1 292 1 44 CYS HA 1 47 LEU QB 3.300 . 3.900 2.139 2.037 2.327 . 0 0 "[ . 1 .]" 1 293 1 44 CYS HA 1 47 LEU MD2 2.900 . 4.400 3.170 2.584 4.215 . 0 0 "[ . 1 .]" 1 294 1 44 CYS QB 1 47 LEU QB 3.300 . 5.300 3.455 3.105 3.833 . 0 0 "[ . 1 .]" 1 295 1 44 CYS QB 1 47 LEU QD 3.300 . 6.700 3.421 2.977 4.614 . 0 0 "[ . 1 .]" 1 296 1 44 CYS QB 1 67 SER QB 2.900 . 4.900 2.633 2.178 3.666 . 0 0 "[ . 1 .]" 1 297 1 44 CYS QB 1 68 GLN HA 3.300 . 4.300 4.436 4.203 4.639 0.339 9 0 "[ . 1 .]" 1 298 1 44 CYS QB 1 70 ILE MD 2.900 . 5.400 3.576 2.765 4.992 . 0 0 "[ . 1 .]" 1 299 1 44 CYS QB 1 70 ILE MG 2.900 . 5.400 3.229 2.491 4.133 . 0 0 "[ . 1 .]" 1 300 1 44 CYS QB 1 78 VAL MG2 3.300 . 5.800 3.907 3.264 5.019 . 0 0 "[ . 1 .]" 1 301 1 46 ASP H 1 46 ASP HA 2.900 . 2.900 2.919 2.892 2.944 0.044 4 0 "[ . 1 .]" 1 302 1 46 ASP H 1 47 LEU H 2.900 . 2.900 2.345 2.238 2.444 . 0 0 "[ . 1 .]" 1 303 1 46 ASP H 1 47 LEU MD2 5.000 . 6.500 5.971 4.927 6.116 . 0 0 "[ . 1 .]" 1 304 1 46 ASP H 1 48 GLY H 5.000 . 5.000 4.672 4.439 4.906 . 0 0 "[ . 1 .]" 1 305 1 46 ASP HA 1 47 LEU H 3.500 . 3.500 3.345 3.301 3.456 . 0 0 "[ . 1 .]" 1 306 1 46 ASP HA 1 48 GLY H 5.000 . 5.000 4.124 3.963 4.246 . 0 0 "[ . 1 .]" 1 307 1 46 ASP HA 1 49 ASN H 2.900 . 2.900 3.079 3.039 3.154 0.254 15 0 "[ . 1 .]" 1 308 1 46 ASP HA 1 49 ASN QB 2.900 . 3.900 2.498 2.279 2.786 . 0 0 "[ . 1 .]" 1 309 1 46 ASP HA 1 50 CYS H 5.000 . 5.000 4.229 3.932 4.743 . 0 0 "[ . 1 .]" 1 310 1 47 LEU H 1 47 LEU HA 2.900 . 2.900 2.785 2.737 2.818 . 0 0 "[ . 1 .]" 1 311 1 47 LEU H 1 47 LEU QB 2.900 . 3.900 2.229 2.130 2.267 . 0 0 "[ . 1 .]" 1 312 1 47 LEU H 1 48 GLY H 5.000 . 5.000 2.810 2.674 3.012 . 0 0 "[ . 1 .]" 1 313 1 47 LEU HA 1 47 LEU MD1 2.900 . 4.400 2.567 2.067 3.714 . 0 0 "[ . 1 .]" 1 314 1 47 LEU HA 1 50 CYS QB 2.900 . 3.900 3.198 2.388 3.939 0.039 13 0 "[ . 1 .]" 1 315 1 47 LEU QB 1 48 GLY H 3.500 . 4.600 2.398 2.249 2.607 . 0 0 "[ . 1 .]" 1 316 1 47 LEU QB 1 67 SER QB 2.900 . 4.900 4.229 3.355 4.935 0.035 2 0 "[ . 1 .]" 1 317 1 47 LEU QD 1 50 CYS QB 5.000 . 8.400 3.758 2.773 4.796 . 0 0 "[ . 1 .]" 1 318 1 47 LEU QD 1 67 SER QB 2.900 . 6.300 3.880 2.557 5.358 . 0 0 "[ . 1 .]" 1 319 1 47 LEU MD1 1 83 PHE QD 2.900 . 6.400 2.453 2.012 4.287 . 0 0 "[ . 1 .]" 1 320 1 47 LEU MD1 1 83 PHE QE 2.900 . 6.400 3.383 2.457 5.439 . 0 0 "[ . 1 .]" 1 321 1 47 LEU MD2 1 83 PHE QE 3.300 . 6.800 4.636 2.478 5.853 . 0 0 "[ . 1 .]" 1 322 1 48 GLY H 1 49 ASN H 2.900 . 2.900 2.624 2.452 2.779 . 0 0 "[ . 1 .]" 1 323 1 48 GLY H 1 63 LEU QD 3.500 . 6.000 4.430 3.942 5.453 . 0 0 "[ . 1 .]" 1 324 1 48 GLY QA 1 49 ASN H 2.900 . 3.900 2.807 2.710 2.930 . 0 0 "[ . 1 .]" 1 325 1 48 GLY QA 1 51 MET QB 2.900 . 4.900 3.049 2.501 3.813 . 0 0 "[ . 1 .]" 1 326 1 48 GLY QA 1 63 LEU MD2 2.900 . 5.400 3.061 2.123 4.568 . 0 0 "[ . 1 .]" 1 327 1 49 ASN H 1 49 ASN HA 2.900 . 2.900 2.877 2.816 2.943 0.043 2 0 "[ . 1 .]" 1 328 1 49 ASN H 1 50 CYS H 2.900 . 2.900 2.467 2.169 2.685 . 0 0 "[ . 1 .]" 1 329 1 49 ASN HA 1 50 CYS H 3.500 . 3.500 3.504 3.415 3.556 0.056 13 0 "[ . 1 .]" 1 330 1 49 ASN HA 1 52 ARG QB 2.900 . 3.900 3.222 2.743 3.956 0.056 1 0 "[ . 1 .]" 1 331 1 50 CYS H 1 50 CYS HA 2.900 . 2.900 2.858 2.798 2.906 0.006 1 0 "[ . 1 .]" 1 332 1 50 CYS H 1 50 CYS QB 2.900 . 3.900 2.321 2.202 2.600 . 0 0 "[ . 1 .]" 1 333 1 50 CYS H 1 51 MET H 2.900 . 2.900 2.550 2.371 2.791 . 0 0 "[ . 1 .]" 1 334 1 50 CYS H 1 51 MET QG 5.000 . 6.000 4.243 3.344 6.036 0.036 11 0 "[ . 1 .]" 1 335 1 50 CYS HA 1 51 MET H 5.000 . 5.000 3.527 3.489 3.569 . 0 0 "[ . 1 .]" 1 336 1 50 CYS HA 1 53 THR H 3.500 . 3.500 3.322 3.158 3.516 0.016 10 0 "[ . 1 .]" 1 337 1 50 CYS HA 1 53 THR HB 2.900 . 2.900 2.896 2.427 3.082 0.182 9 0 "[ . 1 .]" 1 338 1 50 CYS HA 1 53 THR MG 3.300 . 4.800 3.898 2.590 4.437 . 0 0 "[ . 1 .]" 1 339 1 51 MET H 1 51 MET HA 2.900 . 2.900 2.806 2.742 2.849 . 0 0 "[ . 1 .]" 1 340 1 51 MET H 1 51 MET QB 2.900 . 3.900 2.374 2.238 2.681 . 0 0 "[ . 1 .]" 1 341 1 51 MET H 1 51 MET QG 2.900 . 3.900 2.342 1.841 3.956 0.056 11 0 "[ . 1 .]" 1 342 1 51 MET H 1 52 ARG H 3.500 . 3.500 2.650 2.551 2.825 . 0 0 "[ . 1 .]" 1 343 1 51 MET H 1 52 ARG HA 5.000 . 5.000 5.242 5.161 5.343 0.343 12 0 "[ . 1 .]" 1 344 1 51 MET H 1 53 THR H 5.000 . 5.000 4.076 3.879 4.309 . 0 0 "[ . 1 .]" 1 345 1 51 MET HA 1 51 MET QG 3.300 . 4.800 2.603 2.245 3.421 . 0 0 "[ . 1 .]" 1 346 1 51 MET QB 1 52 ARG H 2.900 . 3.900 2.776 2.571 3.442 . 0 0 "[ . 1 .]" 1 347 1 51 MET QB 1 56 TYR H 2.900 . 3.900 3.583 2.509 4.199 0.299 9 0 "[ . 1 .]" 1 348 1 51 MET QB 1 56 TYR QD 5.000 . 8.000 4.870 2.816 6.833 . 0 0 "[ . 1 .]" 1 349 1 52 ARG H 1 52 ARG HA 2.900 . 2.900 2.833 2.754 2.932 0.032 13 0 "[ . 1 .]" 1 350 1 52 ARG H 1 52 ARG QB 2.900 . 3.900 2.317 2.209 2.555 . 0 0 "[ . 1 .]" 1 351 1 52 ARG H 1 53 THR H 3.500 . 3.500 2.533 2.169 2.753 . 0 0 "[ . 1 .]" 1 352 1 52 ARG H 1 54 MET H 5.000 . 5.000 4.255 3.887 4.468 . 0 0 "[ . 1 .]" 1 353 1 52 ARG HA 1 53 THR H 3.500 . 3.500 3.507 3.441 3.542 0.042 7 0 "[ . 1 .]" 1 354 1 52 ARG QB 1 53 THR H 2.900 . 3.900 2.783 2.545 3.635 . 0 0 "[ . 1 .]" 1 355 1 53 THR H 1 53 THR HA 2.900 . 2.900 2.808 2.709 2.862 . 0 0 "[ . 1 .]" 1 356 1 53 THR H 1 53 THR HB 2.900 . 2.900 2.466 2.143 2.739 . 0 0 "[ . 1 .]" 1 357 1 53 THR H 1 53 THR MG 2.900 . 4.400 3.534 2.698 3.742 . 0 0 "[ . 1 .]" 1 358 1 53 THR H 1 54 MET H 2.900 . 2.900 2.696 2.524 2.956 0.056 8 0 "[ . 1 .]" 1 359 1 53 THR H 1 55 GLY H 5.000 . 5.000 4.152 3.515 5.044 0.044 10 0 "[ . 1 .]" 1 360 1 53 THR HA 1 53 THR HB 2.900 . 2.900 2.949 2.655 3.026 0.126 11 0 "[ . 1 .]" 1 361 1 53 THR HA 1 53 THR HG1 2.900 . 4.400 2.352 2.007 2.906 . 0 0 "[ . 1 .]" 1 362 1 53 THR HG1 1 54 MET H 3.500 . 4.500 3.056 1.886 3.447 . 0 0 "[ . 1 .]" 1 363 1 53 THR HG1 1 55 GLY H 5.000 . 6.000 4.603 4.096 5.242 . 0 0 "[ . 1 .]" 1 364 1 54 MET H 1 54 MET HA 2.900 . 2.900 2.880 2.822 2.961 0.061 13 0 "[ . 1 .]" 1 365 1 54 MET H 1 55 GLY H 2.900 . 2.900 2.477 1.514 3.058 0.286 8 0 "[ . 1 .]" 1 366 1 54 MET H 1 56 TYR H 5.000 . 5.000 4.583 3.722 5.188 0.188 1 0 "[ . 1 .]" 1 367 1 54 MET HA 1 55 GLY H 3.500 . 3.500 2.958 2.398 3.372 . 0 0 "[ . 1 .]" 1 368 1 55 GLY H 1 56 TYR QB 5.000 . 6.000 4.808 3.344 5.691 . 0 0 "[ . 1 .]" 1 369 1 55 GLY QA 1 56 TYR H 3.500 . 4.500 2.428 2.099 2.909 . 0 0 "[ . 1 .]" 1 370 1 56 TYR H 1 56 TYR HA 2.900 . 2.900 2.818 2.305 2.967 0.067 8 0 "[ . 1 .]" 1 371 1 56 TYR H 1 56 TYR QB 2.900 . 3.900 2.603 2.230 3.314 . 0 0 "[ . 1 .]" 1 372 1 56 TYR H 1 56 TYR QD 3.500 . 5.500 3.899 1.870 4.411 . 0 0 "[ . 1 .]" 1 373 1 56 TYR H 1 56 TYR QE 5.000 . 7.000 5.849 4.005 6.447 . 0 0 "[ . 1 .]" 1 374 1 56 TYR HA 1 56 TYR QD 3.300 . 5.300 2.780 2.304 3.642 . 0 0 "[ . 1 .]" 1 375 1 56 TYR QD 1 58 PRO HA 5.000 . 7.000 3.628 2.681 5.064 . 0 0 "[ . 1 .]" 1 376 1 56 TYR QE 1 58 PRO HA 3.300 . 5.300 3.904 2.346 5.365 0.065 15 0 "[ . 1 .]" 1 377 1 56 TYR QE 1 59 THR H 5.000 . 7.000 5.466 4.361 7.024 0.024 15 0 "[ . 1 .]" 1 378 1 56 TYR QE 1 63 LEU QD 5.000 . 9.400 5.859 2.555 7.672 . 0 0 "[ . 1 .]" 1 379 1 58 PRO HA 1 59 THR MG 5.000 . 6.500 4.602 3.710 5.387 . 0 0 "[ . 1 .]" 1 380 1 58 PRO HA 1 63 LEU QD 5.000 . 7.400 5.060 2.213 6.463 . 0 0 "[ . 1 .]" 1 381 1 58 PRO QB 1 59 THR H 4.000 . 5.000 2.645 1.874 3.804 . 0 0 "[ . 1 .]" 1 382 1 58 PRO QB 1 63 LEU QD 2.900 . 6.300 3.780 1.934 6.418 0.118 6 0 "[ . 1 .]" 1 383 1 59 THR H 1 59 THR HB 2.900 . 3.900 3.352 2.903 3.669 . 0 0 "[ . 1 .]" 1 384 1 59 THR H 1 59 THR MG 2.900 . 4.400 2.980 2.095 3.706 . 0 0 "[ . 1 .]" 1 385 1 59 THR H 1 62 GLU H 5.000 . 5.000 3.924 3.041 4.322 . 0 0 "[ . 1 .]" 1 386 1 59 THR H 1 63 LEU H 5.000 . 5.000 4.699 4.142 5.465 0.465 13 0 "[ . 1 .]" 1 387 1 59 THR H 1 66 LEU QD 5.000 . 7.400 6.424 5.333 7.489 0.089 6 0 "[ . 1 .]" 1 388 1 59 THR HA 1 59 THR HB 2.900 . 2.900 2.713 2.350 2.983 0.083 7 0 "[ . 1 .]" 1 389 1 59 THR HA 1 60 GLU H 3.500 . 3.500 2.544 2.189 2.949 . 0 0 "[ . 1 .]" 1 390 1 59 THR HA 1 61 MET H 5.000 . 5.000 4.447 3.718 5.122 0.122 2 0 "[ . 1 .]" 1 391 1 59 THR HA 1 62 GLU H 5.000 . 5.000 4.579 4.231 4.874 . 0 0 "[ . 1 .]" 1 392 1 59 THR HA 1 62 GLU QB 5.000 . 6.000 4.279 3.842 5.246 . 0 0 "[ . 1 .]" 1 393 1 59 THR HB 1 60 GLU H 2.900 . 2.900 2.457 1.714 3.040 0.140 4 0 "[ . 1 .]" 1 394 1 59 THR HB 1 61 MET H 2.900 . 2.900 2.715 2.366 3.032 0.132 10 0 "[ . 1 .]" 1 395 1 59 THR HB 1 62 GLU H 3.500 . 3.500 2.917 2.185 3.569 0.069 9 0 "[ . 1 .]" 1 396 1 59 THR HG1 1 60 GLU H 3.500 . 4.600 2.706 1.752 3.853 0.048 2 0 "[ . 1 .]" 1 397 1 59 THR HG1 1 61 MET H 5.000 . 6.000 3.201 2.461 3.753 . 0 0 "[ . 1 .]" 1 398 1 59 THR HG1 1 62 GLU H 3.500 . 4.500 2.886 1.860 3.843 . 0 0 "[ . 1 .]" 1 399 1 59 THR MG 1 62 GLU QB 3.300 . 5.800 3.892 2.972 4.618 . 0 0 "[ . 1 .]" 1 400 1 60 GLU H 1 60 GLU QB 2.900 . 3.900 2.455 2.298 2.890 . 0 0 "[ . 1 .]" 1 401 1 60 GLU H 1 61 MET H 5.000 . 5.000 2.520 2.303 2.880 . 0 0 "[ . 1 .]" 1 402 1 60 GLU HA 1 61 MET H 3.500 . 3.500 3.503 3.379 3.558 0.058 10 0 "[ . 1 .]" 1 403 1 61 MET H 1 61 MET HA 2.900 . 2.900 2.888 2.806 2.913 0.013 3 0 "[ . 1 .]" 1 404 1 61 MET H 1 61 MET QB 2.900 . 3.900 2.328 2.098 2.399 . 0 0 "[ . 1 .]" 1 405 1 61 MET H 1 61 MET QG 2.900 . 3.900 2.726 2.222 3.973 0.073 2 0 "[ . 1 .]" 1 406 1 61 MET H 1 62 GLU H 2.900 . 2.900 2.397 2.286 2.670 . 0 0 "[ . 1 .]" 1 407 1 61 MET H 1 63 LEU H 5.000 . 5.000 4.194 3.681 4.876 . 0 0 "[ . 1 .]" 1 408 1 61 MET H 1 63 LEU QD 5.000 . 7.400 5.767 4.029 6.463 . 0 0 "[ . 1 .]" 1 409 1 61 MET HA 1 62 GLU H 3.500 . 3.500 3.435 3.325 3.516 0.016 4 0 "[ . 1 .]" 1 410 1 61 MET HA 1 64 ILE H 2.900 . 2.900 3.173 3.058 3.320 0.420 10 0 "[ . 1 .]" 1 411 1 61 MET HA 1 64 ILE HB 2.900 . 2.900 2.378 2.070 2.818 . 0 0 "[ . 1 .]" 1 412 1 61 MET HA 1 64 ILE MD 2.900 . 4.400 2.815 2.328 3.781 . 0 0 "[ . 1 .]" 1 413 1 61 MET HA 1 64 ILE MG 2.900 . 4.400 3.794 3.441 4.152 . 0 0 "[ . 1 .]" 1 414 1 61 MET HA 1 65 GLU H 3.500 . 3.500 3.296 2.725 3.691 0.191 12 0 "[ . 1 .]" 1 415 1 61 MET QG 1 64 ILE MD 3.300 . 5.800 3.840 3.131 4.766 . 0 0 "[ . 1 .]" 1 416 1 61 MET HG2 1 64 ILE MG 3.300 . 5.800 5.144 3.972 5.801 0.001 11 0 "[ . 1 .]" 1 417 1 62 GLU H 1 62 GLU HA 2.900 . 2.900 2.857 2.801 2.907 0.007 2 0 "[ . 1 .]" 1 418 1 62 GLU H 1 62 GLU QB 2.900 . 3.900 2.263 2.075 2.367 . 0 0 "[ . 1 .]" 1 419 1 62 GLU HA 1 65 GLU QB 2.900 . 3.900 3.061 2.721 3.650 . 0 0 "[ . 1 .]" 1 420 1 63 LEU H 1 63 LEU HA 2.900 . 2.900 2.889 2.814 2.946 0.046 4 0 "[ . 1 .]" 1 421 1 63 LEU H 1 63 LEU QD 2.900 . 5.300 3.285 1.641 3.814 0.159 7 0 "[ . 1 .]" 1 422 1 63 LEU H 1 64 ILE H 2.900 . 2.900 2.376 2.120 2.649 . 0 0 "[ . 1 .]" 1 423 1 63 LEU HA 1 63 LEU MD2 2.900 . 4.400 3.090 2.106 3.804 . 0 0 "[ . 1 .]" 1 424 1 63 LEU HA 1 64 ILE H 3.500 . 3.500 3.456 3.331 3.534 0.034 3 0 "[ . 1 .]" 1 425 1 63 LEU HA 1 66 LEU QB 2.900 . 3.900 3.078 2.337 3.599 . 0 0 "[ . 1 .]" 1 426 1 63 LEU QB 1 63 LEU MD2 2.900 . 5.400 2.163 2.094 2.327 . 0 0 "[ . 1 .]" 1 427 1 64 ILE H 1 64 ILE HA 2.900 . 2.900 2.929 2.879 2.952 0.052 7 0 "[ . 1 .]" 1 428 1 64 ILE H 1 64 ILE HB 2.900 . 2.900 2.400 2.282 2.462 . 0 0 "[ . 1 .]" 1 429 1 64 ILE H 1 64 ILE QG 2.900 . 3.900 2.605 2.323 3.729 . 0 0 "[ . 1 .]" 1 430 1 64 ILE H 1 64 ILE MG 2.900 . 4.400 3.735 3.593 3.771 . 0 0 "[ . 1 .]" 1 431 1 64 ILE H 1 66 LEU H 3.500 . 3.500 3.678 3.432 3.868 0.368 9 0 "[ . 1 .]" 1 432 1 64 ILE HA 1 64 ILE MG 2.900 . 4.400 2.377 2.304 2.617 . 0 0 "[ . 1 .]" 1 433 1 64 ILE HA 1 65 GLU H 3.500 . 3.500 3.524 3.462 3.574 0.074 11 0 "[ . 1 .]" 1 434 1 64 ILE HA 1 67 SER QB 2.900 . 3.900 3.203 2.456 3.965 0.065 12 0 "[ . 1 .]" 1 435 1 64 ILE MG 1 65 GLU H 2.900 . 4.400 3.197 2.423 3.701 . 0 0 "[ . 1 .]" 1 436 1 65 GLU H 1 65 GLU HA 2.900 . 2.900 2.830 2.710 2.939 0.039 12 0 "[ . 1 .]" 1 437 1 65 GLU H 1 66 LEU H 2.900 . 2.900 2.583 2.171 2.895 . 0 0 "[ . 1 .]" 1 438 1 65 GLU HA 1 68 GLN QB 2.900 . 3.900 3.022 2.376 3.471 . 0 0 "[ . 1 .]" 1 439 1 66 LEU H 1 66 LEU HA 2.900 . 2.900 2.857 2.828 2.898 . 0 0 "[ . 1 .]" 1 440 1 66 LEU H 1 66 LEU QB 2.900 . 3.900 2.250 2.153 2.389 . 0 0 "[ . 1 .]" 1 441 1 66 LEU H 1 66 LEU QD 3.500 . 6.000 3.043 1.784 3.753 0.016 4 0 "[ . 1 .]" 1 442 1 66 LEU HA 1 69 GLN QB 2.900 . 3.900 2.433 2.182 2.710 . 0 0 "[ . 1 .]" 1 443 1 66 LEU QB 1 66 LEU MD2 2.900 . 5.400 2.163 2.086 2.379 . 0 0 "[ . 1 .]" 1 444 1 66 LEU QB 1 67 SER H 2.900 . 3.900 2.306 1.882 2.676 . 0 0 "[ . 1 .]" 1 445 1 67 SER H 1 68 GLN H 2.900 . 2.900 2.923 2.524 3.028 0.128 5 0 "[ . 1 .]" 1 446 1 67 SER H 1 70 ILE MG 6.000 . 7.500 6.459 5.859 6.695 . 0 0 "[ . 1 .]" 1 447 1 67 SER HA 1 70 ILE H 3.500 . 3.500 3.590 3.293 3.789 0.289 11 0 "[ . 1 .]" 1 448 1 67 SER HA 1 70 ILE HB 2.900 . 2.900 3.014 2.640 3.148 0.248 11 0 "[ . 1 .]" 1 449 1 67 SER HA 1 70 ILE MG 2.900 . 4.400 4.341 3.751 4.471 0.071 3 0 "[ . 1 .]" 1 450 1 67 SER QB 1 70 ILE MD 3.300 . 5.800 4.376 3.836 6.054 0.254 12 0 "[ . 1 .]" 1 451 1 68 GLN H 1 68 GLN QB 2.900 . 3.900 2.361 2.247 2.508 . 0 0 "[ . 1 .]" 1 452 1 68 GLN H 1 70 ILE MG 5.000 . 6.500 6.387 5.902 6.555 0.055 3 0 "[ . 1 .]" 1 453 1 68 GLN HA 1 71 ASN H 2.900 . 2.900 3.176 3.009 3.330 0.430 8 0 "[ . 1 .]" 1 454 1 68 GLN HA 1 71 ASN QB 3.300 . 4.300 2.401 2.182 2.919 . 0 0 "[ . 1 .]" 1 455 1 69 GLN H 1 69 GLN HA 2.900 . 2.900 2.811 2.702 2.904 0.004 8 0 "[ . 1 .]" 1 456 1 69 GLN H 1 70 ILE H 2.900 . 2.900 2.733 2.366 3.032 0.132 11 0 "[ . 1 .]" 1 457 1 69 GLN H 1 70 ILE MG 5.000 . 6.500 5.874 5.605 6.126 . 0 0 "[ . 1 .]" 1 458 1 69 GLN H 1 71 ASN H 5.000 . 5.000 4.012 3.799 4.257 . 0 0 "[ . 1 .]" 1 459 1 70 ILE H 1 70 ILE HA 2.900 . 2.900 2.822 2.797 2.850 . 0 0 "[ . 1 .]" 1 460 1 70 ILE H 1 70 ILE MD 2.900 . 4.400 3.497 3.392 4.017 . 0 0 "[ . 1 .]" 1 461 1 70 ILE H 1 70 ILE QG 2.900 . 3.900 2.282 2.202 2.636 . 0 0 "[ . 1 .]" 1 462 1 70 ILE H 1 70 ILE MG 2.900 . 4.400 3.737 3.692 3.754 . 0 0 "[ . 1 .]" 1 463 1 70 ILE HA 1 70 ILE MD 2.900 . 4.400 3.698 2.284 3.811 . 0 0 "[ . 1 .]" 1 464 1 70 ILE HA 1 70 ILE MG 2.900 . 4.400 2.420 2.376 2.557 . 0 0 "[ . 1 .]" 1 465 1 70 ILE HA 1 71 ASN H 3.500 . 3.500 3.545 3.528 3.568 0.068 7 0 "[ . 1 .]" 1 466 1 70 ILE HB 1 70 ILE MD 2.900 . 4.400 2.361 2.227 3.153 . 0 0 "[ . 1 .]" 1 467 1 70 ILE MD 1 78 VAL HB 3.300 . 4.800 4.887 4.611 5.091 0.291 10 0 "[ . 1 .]" 1 468 1 70 ILE MD 1 86 LEU HG 2.900 . 4.400 3.334 2.283 4.461 0.061 9 0 "[ . 1 .]" 1 469 1 70 ILE QG 1 71 ASN H 3.500 . 5.100 4.140 4.079 4.221 . 0 0 "[ . 1 .]" 1 470 1 70 ILE MG 1 71 ASN H 2.900 . 4.400 3.291 3.012 3.431 . 0 0 "[ . 1 .]" 1 471 1 70 ILE MG 1 76 GLY H 3.500 . 5.000 4.053 2.894 5.127 0.127 15 0 "[ . 1 .]" 1 472 1 70 ILE MG 1 77 HIS H 2.900 . 4.400 3.732 2.880 4.567 0.167 6 0 "[ . 1 .]" 1 473 1 70 ILE MG 1 77 HIS HA 5.000 . 6.500 5.021 4.528 5.438 . 0 0 "[ . 1 .]" 1 474 1 70 ILE MG 1 78 VAL MG1 2.900 . 5.900 3.589 2.703 4.148 . 0 0 "[ . 1 .]" 1 475 1 71 ASN H 1 71 ASN HA 2.900 . 2.900 2.802 2.754 2.843 . 0 0 "[ . 1 .]" 1 476 1 71 ASN H 1 71 ASN QB 2.900 . 3.900 2.278 2.212 2.425 . 0 0 "[ . 1 .]" 1 477 1 71 ASN H 1 72 MET H 2.900 . 2.900 2.745 2.529 2.953 0.053 7 0 "[ . 1 .]" 1 478 1 71 ASN HA 1 75 GLY H 5.000 . 5.000 3.895 2.800 4.882 . 0 0 "[ . 1 .]" 1 479 1 71 ASN QB 1 72 MET H 3.500 . 4.500 2.549 2.248 2.866 . 0 0 "[ . 1 .]" 1 480 1 72 MET H 1 72 MET HA 2.900 . 2.900 2.872 2.784 2.968 0.068 7 0 "[ . 1 .]" 1 481 1 72 MET H 1 72 MET QB 2.900 . 3.900 2.345 2.221 2.428 . 0 0 "[ . 1 .]" 1 482 1 72 MET H 1 72 MET QG 3.500 . 4.500 2.861 2.132 4.055 . 0 0 "[ . 1 .]" 1 483 1 72 MET QB 1 73 ASN H 2.900 . 3.900 2.476 1.857 4.035 0.135 7 0 "[ . 1 .]" 1 484 1 73 ASN H 1 73 ASN QB 2.900 . 3.900 2.460 2.205 3.238 . 0 0 "[ . 1 .]" 1 485 1 73 ASN H 1 74 LEU H 3.500 . 3.500 3.120 2.344 3.810 0.310 8 0 "[ . 1 .]" 1 486 1 73 ASN HA 1 74 LEU H 3.500 . 3.500 3.450 2.566 3.561 0.061 5 0 "[ . 1 .]" 1 487 1 73 ASN QB 1 74 LEU H 3.500 . 4.500 2.244 1.735 3.905 0.065 9 0 "[ . 1 .]" 1 488 1 73 ASN QB 1 74 LEU MD1 3.300 . 5.800 4.292 2.077 5.700 . 0 0 "[ . 1 .]" 1 489 1 73 ASN QB 1 74 LEU MD2 2.900 . 5.400 3.837 2.006 5.511 0.111 15 0 "[ . 1 .]" 1 490 1 73 ASN QB 1 75 GLY H 5.000 . 6.000 4.643 3.454 6.084 0.084 15 0 "[ . 1 .]" 1 491 1 74 LEU H 1 74 LEU MD2 2.900 . 4.400 3.362 1.709 4.318 0.091 2 0 "[ . 1 .]" 1 492 1 74 LEU H 1 75 GLY H 3.500 . 3.500 2.963 2.425 3.636 0.136 15 0 "[ . 1 .]" 1 493 1 74 LEU HA 1 74 LEU MD1 3.300 . 4.800 3.081 2.096 4.114 . 0 0 "[ . 1 .]" 1 494 1 74 LEU HA 1 74 LEU MD2 2.900 . 4.400 2.537 2.110 3.798 . 0 0 "[ . 1 .]" 1 495 1 74 LEU HA 1 75 GLY H 3.500 . 3.500 3.353 2.167 3.561 0.061 1 0 "[ . 1 .]" 1 496 1 74 LEU QB 1 74 LEU MD2 2.900 . 5.400 2.213 2.107 2.323 . 0 0 "[ . 1 .]" 1 497 1 74 LEU MD1 1 77 HIS QB 3.300 . 5.800 4.245 2.332 5.616 . 0 0 "[ . 1 .]" 1 498 1 74 LEU MD1 1 78 VAL HA 3.300 . 4.800 3.770 2.609 4.886 0.086 14 0 "[ . 1 .]" 1 499 1 75 GLY H 1 76 GLY H 5.000 . 5.000 2.414 1.634 4.631 0.166 4 0 "[ . 1 .]" 1 500 1 75 GLY H 1 78 VAL MG2 5.000 . 6.500 5.813 4.955 6.695 0.195 15 0 "[ . 1 .]" 1 501 1 75 GLY QA 1 76 GLY H 5.000 . 6.000 2.748 2.215 2.906 . 0 0 "[ . 1 .]" 1 502 1 76 GLY H 1 77 HIS H 3.500 . 3.500 2.386 1.745 3.835 0.335 15 0 "[ . 1 .]" 1 503 1 76 GLY H 1 78 VAL MG2 5.000 . 6.500 4.938 4.167 5.969 . 0 0 "[ . 1 .]" 1 504 1 76 GLY QA 1 77 HIS H 3.500 . 4.500 2.659 2.377 2.883 . 0 0 "[ . 1 .]" 1 505 1 77 HIS H 1 77 HIS HA 2.900 . 2.900 2.898 2.880 2.948 0.048 11 0 "[ . 1 .]" 1 506 1 77 HIS H 1 77 HIS QB 3.500 . 4.500 2.934 2.452 3.279 . 0 0 "[ . 1 .]" 1 507 1 77 HIS H 1 78 VAL H 5.000 . 5.000 4.227 3.935 4.628 . 0 0 "[ . 1 .]" 1 508 1 77 HIS H 1 78 VAL MG2 3.500 . 5.000 3.541 3.011 4.329 . 0 0 "[ . 1 .]" 1 509 1 77 HIS HA 1 78 VAL H 2.900 . 2.900 2.224 2.141 2.372 . 0 0 "[ . 1 .]" 1 510 1 77 HIS QB 1 78 VAL H 3.500 . 4.500 2.981 2.494 3.478 . 0 0 "[ . 1 .]" 1 511 1 78 VAL H 1 78 VAL HB 2.900 . 2.900 2.763 2.601 2.906 0.006 6 0 "[ . 1 .]" 1 512 1 78 VAL H 1 78 VAL MG2 2.900 . 4.400 2.867 2.511 3.441 . 0 0 "[ . 1 .]" 1 513 1 78 VAL HA 1 78 VAL MG1 2.900 . 4.400 2.376 2.221 2.683 . 0 0 "[ . 1 .]" 1 514 1 78 VAL HA 1 78 VAL MG2 2.900 . 4.400 2.365 2.191 2.503 . 0 0 "[ . 1 .]" 1 515 1 78 VAL HA 1 79 ASP H 2.900 . 2.900 2.154 2.137 2.178 . 0 0 "[ . 1 .]" 1 516 1 78 VAL HA 1 82 ASP H 5.000 . 5.000 4.986 4.681 5.068 0.068 8 0 "[ . 1 .]" 1 517 1 78 VAL MG1 1 79 ASP H 3.500 . 5.000 2.588 2.400 2.824 . 0 0 "[ . 1 .]" 1 518 1 78 VAL MG1 1 81 ASP H 5.000 . 6.500 4.900 4.736 5.057 . 0 0 "[ . 1 .]" 1 519 1 78 VAL MG1 1 83 PHE H 2.900 . 4.400 2.524 2.285 3.064 . 0 0 "[ . 1 .]" 1 520 1 78 VAL MG1 1 83 PHE HA 2.900 . 4.400 2.650 2.326 2.906 . 0 0 "[ . 1 .]" 1 521 1 78 VAL MG1 1 83 PHE QB 2.900 . 5.400 2.342 2.052 2.600 . 0 0 "[ . 1 .]" 1 522 1 78 VAL MG1 1 83 PHE QE 5.000 . 8.500 5.427 4.951 5.875 . 0 0 "[ . 1 .]" 1 523 1 78 VAL MG1 1 84 VAL H 5.000 . 6.500 4.589 4.351 4.877 . 0 0 "[ . 1 .]" 1 524 1 78 VAL MG2 1 79 ASP H 3.500 . 5.000 3.993 3.475 4.256 . 0 0 "[ . 1 .]" 1 525 1 78 VAL MG2 1 83 PHE QD 3.300 . 6.800 5.129 4.529 5.494 . 0 0 "[ . 1 .]" 1 526 1 78 VAL MG2 1 83 PHE QE 5.000 . 8.500 6.811 6.130 7.228 . 0 0 "[ . 1 .]" 1 527 1 79 ASP H 1 79 ASP QB 2.900 . 3.900 2.469 2.335 2.816 . 0 0 "[ . 1 .]" 1 528 1 79 ASP H 1 80 PHE H 5.000 . 5.000 4.564 4.533 4.590 . 0 0 "[ . 1 .]" 1 529 1 79 ASP H 1 81 ASP H 5.000 . 5.000 4.409 4.221 4.512 . 0 0 "[ . 1 .]" 1 530 1 79 ASP H 1 82 ASP H 3.500 . 3.500 3.188 2.995 3.266 . 0 0 "[ . 1 .]" 1 531 1 79 ASP H 1 82 ASP HA 5.000 . 5.000 4.930 4.621 5.052 0.052 12 0 "[ . 1 .]" 1 532 1 79 ASP HA 1 80 PHE H 2.900 . 2.900 2.269 2.226 2.325 . 0 0 "[ . 1 .]" 1 533 1 79 ASP HA 1 81 ASP H 3.500 . 3.500 3.897 3.799 3.961 0.461 14 0 "[ . 1 .]" 1 534 1 79 ASP HA 1 82 ASP H 5.000 . 5.000 4.513 4.409 4.626 . 0 0 "[ . 1 .]" 1 535 1 79 ASP QB 1 80 PHE H 2.900 . 3.900 2.854 2.534 3.451 . 0 0 "[ . 1 .]" 1 536 1 79 ASP QB 1 81 ASP H 2.900 . 3.900 2.560 2.391 2.803 . 0 0 "[ . 1 .]" 1 537 1 79 ASP QB 1 82 ASP H 2.900 . 3.900 2.800 2.518 3.714 . 0 0 "[ . 1 .]" 1 538 1 80 PHE H 1 80 PHE HA 2.900 . 2.900 2.725 2.708 2.740 . 0 0 "[ . 1 .]" 1 539 1 80 PHE H 1 80 PHE QB 2.900 . 3.900 2.277 2.264 2.287 . 0 0 "[ . 1 .]" 1 540 1 80 PHE H 1 81 ASP H 2.900 . 2.900 2.844 2.799 2.888 . 0 0 "[ . 1 .]" 1 541 1 80 PHE HA 1 81 ASP H 3.500 . 3.500 3.482 3.454 3.508 0.008 14 0 "[ . 1 .]" 1 542 1 80 PHE QB 1 81 ASP H 2.900 . 3.900 2.914 2.833 3.025 . 0 0 "[ . 1 .]" 1 543 1 80 PHE QD 1 81 ASP H 3.500 . 5.500 4.051 3.795 4.312 . 0 0 "[ . 1 .]" 1 544 1 80 PHE QD 1 83 PHE QE 3.300 . 7.300 4.123 3.482 5.028 . 0 0 "[ . 1 .]" 1 545 1 80 PHE QD 1 84 VAL H 5.000 . 7.000 4.581 4.354 4.879 . 0 0 "[ . 1 .]" 1 546 1 80 PHE QD 1 84 VAL MG2 3.300 . 6.800 3.014 2.870 3.271 . 0 0 "[ . 1 .]" 1 547 1 80 PHE QE 1 81 ASP H 5.000 . 7.000 5.861 5.710 6.140 . 0 0 "[ . 1 .]" 1 548 1 80 PHE QE 1 84 VAL H 3.500 . 5.500 5.151 4.961 5.501 0.001 7 0 "[ . 1 .]" 1 549 1 80 PHE QE 1 84 VAL MG2 2.900 . 6.400 2.542 2.337 2.750 . 0 0 "[ . 1 .]" 1 550 1 80 PHE HZ 1 84 VAL MG2 2.900 . 4.400 2.695 2.476 2.822 . 0 0 "[ . 1 .]" 1 551 1 81 ASP H 1 81 ASP HA 2.900 . 2.900 2.877 2.858 2.896 . 0 0 "[ . 1 .]" 1 552 1 81 ASP H 1 81 ASP QB 2.900 . 3.900 2.333 2.254 2.694 . 0 0 "[ . 1 .]" 1 553 1 81 ASP H 1 82 ASP H 2.900 . 2.900 2.563 2.484 2.625 . 0 0 "[ . 1 .]" 1 554 1 81 ASP H 1 82 ASP HA 5.000 . 5.000 5.178 5.130 5.233 0.233 13 0 "[ . 1 .]" 1 555 1 81 ASP H 1 83 PHE QB 3.500 . 4.500 4.450 4.339 4.532 0.032 8 0 "[ . 1 .]" 1 556 1 81 ASP H 1 84 VAL HB 5.000 . 5.000 5.149 5.075 5.221 0.221 4 0 "[ . 1 .]" 1 557 1 81 ASP H 1 84 VAL MG2 5.000 . 6.500 4.870 4.759 5.022 . 0 0 "[ . 1 .]" 1 558 1 81 ASP HA 1 84 VAL HB 2.900 . 2.900 2.860 2.786 2.929 0.029 12 0 "[ . 1 .]" 1 559 1 81 ASP HA 1 84 VAL MG2 2.900 . 4.400 3.638 3.551 3.739 . 0 0 "[ . 1 .]" 1 560 1 82 ASP H 1 82 ASP HA 2.900 . 2.900 2.818 2.805 2.839 . 0 0 "[ . 1 .]" 1 561 1 82 ASP H 1 85 GLU QB 3.500 . 4.500 4.566 4.446 4.640 0.140 7 0 "[ . 1 .]" 1 562 1 82 ASP HA 1 84 VAL H 5.000 . 5.000 4.458 3.912 4.775 . 0 0 "[ . 1 .]" 1 563 1 82 ASP HA 1 85 GLU QB 2.900 . 3.900 2.407 2.284 2.853 . 0 0 "[ . 1 .]" 1 564 1 82 ASP HA 1 86 LEU H 3.500 . 3.500 3.571 3.436 3.638 0.138 9 0 "[ . 1 .]" 1 565 1 83 PHE H 1 83 PHE HA 2.900 . 2.900 2.833 2.808 2.929 0.029 5 0 "[ . 1 .]" 1 566 1 83 PHE H 1 83 PHE QB 2.900 . 3.900 2.206 2.130 2.286 . 0 0 "[ . 1 .]" 1 567 1 83 PHE H 1 84 VAL H 2.900 . 2.900 2.649 2.288 2.739 . 0 0 "[ . 1 .]" 1 568 1 83 PHE H 1 84 VAL MG1 5.000 . 6.500 5.826 5.520 5.909 . 0 0 "[ . 1 .]" 1 569 1 83 PHE H 1 84 VAL MG2 5.000 . 6.500 4.394 4.113 4.493 . 0 0 "[ . 1 .]" 1 570 1 83 PHE H 1 85 GLU H 5.000 . 5.000 4.037 3.687 4.187 . 0 0 "[ . 1 .]" 1 571 1 83 PHE H 1 86 LEU QB 5.000 . 6.000 4.798 4.552 4.955 . 0 0 "[ . 1 .]" 1 572 1 83 PHE HA 1 83 PHE QD 3.300 . 5.300 2.485 2.305 3.057 . 0 0 "[ . 1 .]" 1 573 1 83 PHE HA 1 86 LEU QB 2.900 . 3.900 3.019 2.724 3.267 . 0 0 "[ . 1 .]" 1 574 1 83 PHE QB 1 84 VAL H 2.900 . 3.900 2.575 2.448 2.974 . 0 0 "[ . 1 .]" 1 575 1 83 PHE QD 1 84 VAL MG2 2.900 . 6.400 2.439 2.263 2.717 . 0 0 "[ . 1 .]" 1 576 1 83 PHE QE 1 84 VAL MG2 3.300 . 6.800 3.490 2.895 3.840 . 0 0 "[ . 1 .]" 1 577 1 84 VAL H 1 84 VAL HA 2.900 . 2.900 2.853 2.833 2.923 0.023 7 0 "[ . 1 .]" 1 578 1 84 VAL H 1 84 VAL HB 2.900 . 2.900 2.357 2.309 2.383 . 0 0 "[ . 1 .]" 1 579 1 84 VAL H 1 84 VAL MG1 2.900 . 4.400 3.724 3.689 3.735 . 0 0 "[ . 1 .]" 1 580 1 84 VAL H 1 84 VAL MG2 2.900 . 4.400 2.370 2.295 2.693 . 0 0 "[ . 1 .]" 1 581 1 84 VAL H 1 85 GLU H 2.900 . 2.900 2.577 2.303 2.639 . 0 0 "[ . 1 .]" 1 582 1 84 VAL H 1 85 GLU QB 3.500 . 4.500 4.379 4.185 4.501 0.001 3 0 "[ . 1 .]" 1 583 1 84 VAL H 1 86 LEU H 5.000 . 5.000 4.188 3.849 4.462 . 0 0 "[ . 1 .]" 1 584 1 84 VAL HA 1 84 VAL MG1 2.900 . 4.400 2.417 2.382 2.466 . 0 0 "[ . 1 .]" 1 585 1 84 VAL HA 1 84 VAL MG2 2.900 . 4.400 2.310 2.222 2.345 . 0 0 "[ . 1 .]" 1 586 1 84 VAL HA 1 85 GLU H 3.500 . 3.600 3.545 3.537 3.553 . 0 0 "[ . 1 .]" 1 587 1 84 VAL HA 1 86 LEU H 5.000 . 5.000 4.616 4.443 4.878 . 0 0 "[ . 1 .]" 1 588 1 84 VAL HA 1 87 MET QB 2.900 . 3.900 2.564 2.288 2.882 . 0 0 "[ . 1 .]" 1 589 1 84 VAL HA 1 88 GLY H 5.000 . 5.000 4.232 3.694 4.905 . 0 0 "[ . 1 .]" 1 590 1 84 VAL MG2 1 85 GLU H 3.500 . 5.000 3.937 3.899 3.993 . 0 0 "[ . 1 .]" 1 591 1 84 VAL MG2 1 86 LEU H 6.000 . 7.500 5.579 5.394 5.808 . 0 0 "[ . 1 .]" 1 592 1 85 GLU H 1 85 GLU HA 2.900 . 2.900 2.808 2.790 2.825 . 0 0 "[ . 1 .]" 1 593 1 85 GLU H 1 85 GLU QB 2.900 . 3.900 2.267 2.165 2.326 . 0 0 "[ . 1 .]" 1 594 1 85 GLU H 1 86 LEU H 2.900 . 2.900 2.742 2.639 2.886 . 0 0 "[ . 1 .]" 1 595 1 85 GLU HA 1 86 LEU H 3.500 . 3.500 3.548 3.522 3.568 0.068 11 0 "[ . 1 .]" 1 596 1 85 GLU HA 1 88 GLY H 5.000 . 5.000 3.587 3.310 3.857 . 0 0 "[ . 1 .]" 1 597 1 85 GLU QB 1 86 LEU H 2.900 . 3.900 2.441 2.193 2.669 . 0 0 "[ . 1 .]" 1 598 1 85 GLU QB 1 88 GLY H 5.000 . 6.000 4.908 4.665 5.156 . 0 0 "[ . 1 .]" 1 599 1 86 LEU H 1 86 LEU HA 2.900 . 2.900 2.820 2.791 2.841 . 0 0 "[ . 1 .]" 1 600 1 86 LEU H 1 86 LEU QB 2.900 . 3.900 2.192 2.142 2.324 . 0 0 "[ . 1 .]" 1 601 1 86 LEU H 1 87 MET H 2.900 . 2.900 2.639 2.584 2.713 . 0 0 "[ . 1 .]" 1 602 1 86 LEU H 1 88 GLY H 5.000 . 5.000 4.095 3.810 4.307 . 0 0 "[ . 1 .]" 1 603 1 86 LEU HA 1 86 LEU MD2 2.900 . 4.400 2.712 2.116 3.808 . 0 0 "[ . 1 .]" 1 604 1 86 LEU HA 1 87 MET H 3.500 . 3.500 3.519 3.480 3.549 0.049 13 0 "[ . 1 .]" 1 605 1 86 LEU QB 1 87 MET H 2.900 . 3.900 2.607 2.490 2.751 . 0 0 "[ . 1 .]" 1 606 1 86 LEU MD1 1 87 MET H 2.900 . 4.400 4.200 3.584 4.605 0.205 5 0 "[ . 1 .]" 1 607 1 87 MET H 1 88 GLY QA 5.000 . 6.000 4.508 4.331 4.670 . 0 0 "[ . 1 .]" 1 608 1 88 GLY H 1 89 PRO QD 5.000 . 7.000 3.546 2.099 4.341 . 0 0 "[ . 1 .]" 1 609 1 88 GLY QA 1 91 LEU H 5.000 . 6.000 5.253 3.010 6.068 0.068 11 0 "[ . 1 .]" 1 610 1 89 PRO HA 1 90 LYS H 5.000 . 5.000 2.890 2.209 3.575 . 0 0 "[ . 1 .]" 1 611 1 90 LYS H 1 91 LEU H 2.900 . 2.900 2.492 1.800 2.729 . 0 0 "[ . 1 .]" 1 612 1 90 LYS H 1 91 LEU QB 3.500 . 4.500 4.371 4.015 4.665 0.165 14 0 "[ . 1 .]" 1 613 1 90 LYS H 1 91 LEU QD 2.900 . 5.300 4.221 2.379 5.353 0.053 15 0 "[ . 1 .]" 1 614 1 91 LEU H 1 91 LEU QB 2.900 . 3.900 2.478 2.165 3.118 . 0 0 "[ . 1 .]" 1 stop_ save_
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