NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
569847 | 2mc4 | 19427 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mc4 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 1448 _Distance_constraint_stats_list.Viol_count 557 _Distance_constraint_stats_list.Viol_total 417.292 _Distance_constraint_stats_list.Viol_max 0.458 _Distance_constraint_stats_list.Viol_rms 0.0081 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0375 _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 5 PRO 0.126 0.041 5 0 "[ . 1 . 2]" 1 6 LYS 0.203 0.059 11 0 "[ . 1 . 2]" 1 7 LEU 0.309 0.075 4 0 "[ . 1 . 2]" 1 8 VAL 0.092 0.034 4 0 "[ . 1 . 2]" 1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ASP 0.374 0.071 20 0 "[ . 1 . 2]" 1 11 LEU 0.108 0.085 17 0 "[ . 1 . 2]" 1 12 GLU 0.010 0.010 3 0 "[ . 1 . 2]" 1 13 ARG 0.468 0.170 15 0 "[ . 1 . 2]" 1 14 LEU 0.154 0.085 17 0 "[ . 1 . 2]" 1 15 ALA 0.056 0.044 12 0 "[ . 1 . 2]" 1 16 THR 0.144 0.074 15 0 "[ . 1 . 2]" 1 17 VAL 0.001 0.001 15 0 "[ . 1 . 2]" 1 18 PRO 0.030 0.018 19 0 "[ . 1 . 2]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 LYS 0.207 0.033 12 0 "[ . 1 . 2]" 1 22 ALA 0.100 0.037 10 0 "[ . 1 . 2]" 1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 PRO 0.018 0.018 20 0 "[ . 1 . 2]" 1 25 LEU 0.945 0.099 3 0 "[ . 1 . 2]" 1 26 GLN 0.200 0.037 10 0 "[ . 1 . 2]" 1 27 ARG 1.066 0.060 8 0 "[ . 1 . 2]" 1 28 TYR 0.648 0.060 8 0 "[ . 1 . 2]" 1 29 ALA 0.195 0.049 15 0 "[ . 1 . 2]" 1 30 ALA 0.608 0.059 6 0 "[ . 1 . 2]" 1 31 THR 0.016 0.016 9 0 "[ . 1 . 2]" 1 32 ILE 0.110 0.049 15 0 "[ . 1 . 2]" 1 33 GLN 0.569 0.136 8 0 "[ . 1 . 2]" 1 34 SER 0.009 0.008 3 0 "[ . 1 . 2]" 1 35 GLN 0.016 0.016 9 0 "[ . 1 . 2]" 1 36 ARG 0.685 0.152 4 0 "[ . 1 . 2]" 1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 ASP 0.729 0.206 9 0 "[ . 1 . 2]" 1 39 TYR 3.345 0.458 6 0 "[ . 1 . 2]" 1 40 ASN 1.669 0.458 6 0 "[ . 1 . 2]" 1 41 GLY 0.512 0.154 16 0 "[ . 1 . 2]" 1 42 LYS 0.147 0.072 6 0 "[ . 1 . 2]" 1 43 VAL 0.052 0.023 5 0 "[ . 1 . 2]" 1 44 LEU 0.033 0.014 6 0 "[ . 1 . 2]" 1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 ILE 0.126 0.030 10 0 "[ . 1 . 2]" 1 47 ARG 1.809 0.211 12 0 "[ . 1 . 2]" 1 48 GLN 0.366 0.074 2 0 "[ . 1 . 2]" 1 49 ASP 0.390 0.102 1 0 "[ . 1 . 2]" 1 50 ASP 0.422 0.153 7 0 "[ . 1 . 2]" 1 51 LEU 0.196 0.073 9 0 "[ . 1 . 2]" 1 52 ARG 0.608 0.153 7 0 "[ . 1 . 2]" 1 53 THR 0.048 0.048 1 0 "[ . 1 . 2]" 1 54 LEU 0.046 0.026 15 0 "[ . 1 . 2]" 1 55 ALA 0.162 0.031 11 0 "[ . 1 . 2]" 1 56 VAL 0.732 0.057 18 0 "[ . 1 . 2]" 1 57 ILE 1.782 0.082 5 0 "[ . 1 . 2]" 1 58 TYR 2.518 0.099 3 0 "[ . 1 . 2]" 1 59 ASP 0.363 0.063 17 0 "[ . 1 . 2]" 1 60 GLN 0.349 0.068 10 0 "[ . 1 . 2]" 1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 LEU 0.409 0.101 3 0 "[ . 1 . 2]" 1 66 THR 0.203 0.183 11 0 "[ . 1 . 2]" 1 67 GLU 0.505 0.101 3 0 "[ . 1 . 2]" 1 68 GLN 1.731 0.062 7 0 "[ . 1 . 2]" 1 69 LEU 1.134 0.125 9 0 "[ . 1 . 2]" 1 70 ILE 0.584 0.139 14 0 "[ . 1 . 2]" 1 71 SER 0.044 0.015 12 0 "[ . 1 . 2]" 1 72 TRP 1.571 0.093 11 0 "[ . 1 . 2]" 1 73 GLY 0.574 0.084 14 0 "[ . 1 . 2]" 1 74 VAL 0.743 0.170 15 0 "[ . 1 . 2]" 1 75 LEU 0.449 0.139 14 0 "[ . 1 . 2]" 1 76 ASP 0.058 0.047 14 0 "[ . 1 . 2]" 1 77 ALA 0.071 0.048 11 0 "[ . 1 . 2]" 1 78 ASP 1.753 0.154 10 0 "[ . 1 . 2]" 1 79 ALA 0.147 0.069 10 0 "[ . 1 . 2]" 1 80 ARG 1.625 0.154 10 0 "[ . 1 . 2]" 1 81 ARG 0.037 0.031 13 0 "[ . 1 . 2]" 1 82 ALA 0.075 0.075 4 0 "[ . 1 . 2]" 1 83 VAL 0.082 0.032 18 0 "[ . 1 . 2]" 1 84 ALA 0.119 0.032 18 0 "[ . 1 . 2]" 1 88 GLU 0.000 0.000 . 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 5 PRO HA 1 6 LYS H 3.000 . 3.000 2.136 2.038 2.475 . 0 0 "[ . 1 . 2]" 1 2 1 5 PRO QB 1 6 LYS H 3.200 . 4.200 3.438 3.063 3.892 . 0 0 "[ . 1 . 2]" 1 3 1 5 PRO QB 1 7 LEU QD 5.300 . 6.300 3.035 2.105 3.939 . 0 0 "[ . 1 . 2]" 1 4 1 5 PRO QB 1 79 ALA HA 4.400 . 5.400 3.880 1.959 5.263 . 0 0 "[ . 1 . 2]" 1 5 1 5 PRO QB 1 82 ALA MB 5.200 . 6.200 2.320 1.844 3.226 . 0 0 "[ . 1 . 2]" 1 6 1 5 PRO QG 1 6 LYS H 4.400 . 5.400 4.732 4.638 4.867 . 0 0 "[ . 1 . 2]" 1 7 1 5 PRO QG 1 7 LEU QD 3.900 . 4.900 4.237 2.906 4.941 0.041 5 0 "[ . 1 . 2]" 1 8 1 5 PRO QG 1 79 ALA HA 5.500 . 6.500 5.089 3.507 6.538 0.038 13 0 "[ . 1 . 2]" 1 9 1 5 PRO QG 1 82 ALA HA 4.000 . 5.000 3.213 2.056 4.401 . 0 0 "[ . 1 . 2]" 1 10 1 5 PRO QG 1 82 ALA MB 3.600 . 4.600 2.468 1.899 3.449 . 0 0 "[ . 1 . 2]" 1 11 1 6 LYS H 1 6 LYS QB 3.400 . 4.400 2.508 2.301 3.201 . 0 0 "[ . 1 . 2]" 1 12 1 6 LYS H 1 6 LYS QG 3.800 . 4.800 2.670 2.109 4.082 . 0 0 "[ . 1 . 2]" 1 13 1 6 LYS H 1 7 LEU QD 5.400 . 6.400 4.321 3.734 4.978 . 0 0 "[ . 1 . 2]" 1 14 1 6 LYS HA 1 7 LEU H 3.000 . 3.000 2.162 2.059 2.341 . 0 0 "[ . 1 . 2]" 1 15 1 6 LYS HA 1 7 LEU QD 3.900 . 4.900 3.696 2.536 4.320 . 0 0 "[ . 1 . 2]" 1 16 1 6 LYS HA 1 7 LEU HG 5.500 . 5.500 4.138 3.376 5.559 0.059 11 0 "[ . 1 . 2]" 1 17 1 6 LYS QB 1 7 LEU H 3.600 . 4.600 3.190 2.612 3.819 . 0 0 "[ . 1 . 2]" 1 18 1 6 LYS QB 1 8 VAL H 5.300 . 6.300 4.704 3.974 5.336 . 0 0 "[ . 1 . 2]" 1 19 1 6 LYS QB 1 8 VAL HB 5.500 . 6.500 5.638 4.077 6.527 0.027 18 0 "[ . 1 . 2]" 1 20 1 6 LYS QB 1 8 VAL QG 3.300 . 4.300 3.261 2.307 4.123 . 0 0 "[ . 1 . 2]" 1 21 1 6 LYS QB 1 45 SER QB 4.900 . 5.900 3.518 1.927 5.295 . 0 0 "[ . 1 . 2]" 1 22 1 6 LYS QB 1 46 ILE H 5.500 . 6.500 4.821 3.544 6.337 . 0 0 "[ . 1 . 2]" 1 23 1 6 LYS QD 1 6 LYS QG 2.300 . 3.300 2.049 2.000 2.097 . 0 0 "[ . 1 . 2]" 1 24 1 6 LYS QD 1 7 LEU H 5.500 . 6.500 4.709 2.771 5.816 . 0 0 "[ . 1 . 2]" 1 25 1 6 LYS QE 1 8 VAL QG 5.000 . 6.000 4.959 3.348 6.034 0.034 4 0 "[ . 1 . 2]" 1 26 1 6 LYS QG 1 7 LEU H 5.100 . 6.100 4.206 2.711 4.876 . 0 0 "[ . 1 . 2]" 1 27 1 7 LEU H 1 7 LEU QB 3.400 . 4.400 2.443 2.320 2.570 . 0 0 "[ . 1 . 2]" 1 28 1 7 LEU H 1 7 LEU MD1 4.400 . 5.400 3.563 1.954 4.016 . 0 0 "[ . 1 . 2]" 1 29 1 7 LEU H 1 7 LEU QD 3.500 . 4.500 2.881 1.950 3.345 . 0 0 "[ . 1 . 2]" 1 30 1 7 LEU H 1 7 LEU MD2 4.400 . 5.400 3.257 2.069 4.149 . 0 0 "[ . 1 . 2]" 1 31 1 7 LEU H 1 7 LEU HG 4.300 . 4.300 2.857 2.247 4.078 . 0 0 "[ . 1 . 2]" 1 32 1 7 LEU H 1 8 VAL H 4.900 . 4.900 4.233 4.047 4.412 . 0 0 "[ . 1 . 2]" 1 33 1 7 LEU H 1 46 ILE QG 5.300 . 6.300 3.987 3.345 5.066 . 0 0 "[ . 1 . 2]" 1 34 1 7 LEU HA 1 7 LEU MD1 3.900 . 4.900 3.507 2.002 3.880 . 0 0 "[ . 1 . 2]" 1 35 1 7 LEU HA 1 7 LEU QD 3.100 . 4.100 2.178 1.978 3.009 . 0 0 "[ . 1 . 2]" 1 36 1 7 LEU HA 1 7 LEU MD2 3.900 . 4.900 2.425 2.066 3.805 . 0 0 "[ . 1 . 2]" 1 37 1 7 LEU HA 1 8 VAL H 3.000 . 3.000 2.117 2.048 2.192 . 0 0 "[ . 1 . 2]" 1 38 1 7 LEU HA 1 75 LEU QD 5.100 . 6.100 2.890 2.364 3.713 . 0 0 "[ . 1 . 2]" 1 39 1 7 LEU QB 1 8 VAL H 4.100 . 5.100 3.399 2.864 3.653 . 0 0 "[ . 1 . 2]" 1 40 1 7 LEU QB 1 46 ILE H 4.300 . 5.300 3.179 2.722 3.831 . 0 0 "[ . 1 . 2]" 1 41 1 7 LEU QB 1 46 ILE QG 3.500 . 4.500 2.320 1.898 3.852 . 0 0 "[ . 1 . 2]" 1 42 1 7 LEU QD 1 8 VAL H 4.800 . 5.800 3.767 3.500 4.465 . 0 0 "[ . 1 . 2]" 1 43 1 7 LEU QD 1 48 GLN HA 3.100 . 4.100 2.296 1.908 3.248 . 0 0 "[ . 1 . 2]" 1 44 1 7 LEU QD 1 48 GLN QB 4.200 . 5.200 3.171 2.410 4.426 . 0 0 "[ . 1 . 2]" 1 45 1 7 LEU QD 1 48 GLN QE 4.500 . 5.500 3.679 1.950 4.539 . 0 0 "[ . 1 . 2]" 1 46 1 7 LEU QD 1 48 GLN QG 4.100 . 5.100 3.420 2.041 4.884 . 0 0 "[ . 1 . 2]" 1 47 1 7 LEU QD 1 79 ALA H 5.100 . 6.100 4.531 3.406 5.370 . 0 0 "[ . 1 . 2]" 1 48 1 7 LEU QD 1 79 ALA HA 3.200 . 4.200 3.064 2.066 4.018 . 0 0 "[ . 1 . 2]" 1 49 1 7 LEU QD 1 79 ALA MB 2.900 . 3.900 2.088 1.817 2.906 . 0 0 "[ . 1 . 2]" 1 50 1 7 LEU QD 1 82 ALA MB 3.200 . 4.200 2.572 1.838 4.275 0.075 4 0 "[ . 1 . 2]" 1 51 1 7 LEU MD1 1 48 GLN QB 5.500 . 6.500 3.532 2.444 4.954 . 0 0 "[ . 1 . 2]" 1 52 1 7 LEU MD2 1 48 GLN QB 5.500 . 6.500 4.058 2.558 5.852 . 0 0 "[ . 1 . 2]" 1 53 1 7 LEU HG 1 48 GLN HA 4.700 . 4.700 3.779 2.216 4.745 0.045 16 0 "[ . 1 . 2]" 1 54 1 8 VAL H 1 8 VAL HB 4.000 . 4.000 2.640 2.481 3.688 . 0 0 "[ . 1 . 2]" 1 55 1 8 VAL H 1 8 VAL QG 3.000 . 4.000 2.336 1.926 2.556 . 0 0 "[ . 1 . 2]" 1 56 1 8 VAL H 1 8 VAL MG2 3.500 . 4.500 2.449 1.975 3.870 . 0 0 "[ . 1 . 2]" 1 57 1 8 VAL H 1 9 LEU H 5.500 . 5.500 4.272 4.177 4.355 . 0 0 "[ . 1 . 2]" 1 58 1 8 VAL H 1 75 LEU QD 5.400 . 6.400 2.921 2.448 3.347 . 0 0 "[ . 1 . 2]" 1 59 1 8 VAL H 1 76 ASP QB 5.500 . 6.500 4.382 2.240 5.856 . 0 0 "[ . 1 . 2]" 1 60 1 8 VAL H 1 79 ALA MB 5.000 . 6.000 4.336 3.059 5.218 . 0 0 "[ . 1 . 2]" 1 61 1 8 VAL HA 1 8 VAL MG1 3.300 . 4.300 2.426 2.308 3.238 . 0 0 "[ . 1 . 2]" 1 62 1 8 VAL HA 1 8 VAL MG2 3.300 . 4.300 2.471 2.361 3.233 . 0 0 "[ . 1 . 2]" 1 63 1 8 VAL HA 1 9 LEU H 3.100 . 3.100 2.086 2.040 2.147 . 0 0 "[ . 1 . 2]" 1 64 1 8 VAL HA 1 45 SER H 5.500 . 5.500 4.657 4.174 4.936 . 0 0 "[ . 1 . 2]" 1 65 1 8 VAL HA 1 45 SER HA 4.000 . 4.000 2.361 2.024 2.810 . 0 0 "[ . 1 . 2]" 1 66 1 8 VAL HA 1 46 ILE H 4.000 . 4.000 3.503 3.010 4.006 0.006 10 0 "[ . 1 . 2]" 1 67 1 8 VAL HA 1 46 ILE MD 5.300 . 6.300 5.193 3.802 5.898 . 0 0 "[ . 1 . 2]" 1 68 1 8 VAL HB 1 9 LEU H 5.500 . 5.500 4.212 3.577 4.333 . 0 0 "[ . 1 . 2]" 1 69 1 8 VAL HB 1 76 ASP QB 5.500 . 6.500 4.381 1.941 6.511 0.011 13 0 "[ . 1 . 2]" 1 70 1 8 VAL QG 1 9 LEU H 3.500 . 4.500 2.912 2.668 3.623 . 0 0 "[ . 1 . 2]" 1 71 1 8 VAL QG 1 10 ASP H 3.900 . 4.900 4.038 3.375 4.858 . 0 0 "[ . 1 . 2]" 1 72 1 8 VAL QG 1 10 ASP HA 4.500 . 5.500 3.841 3.293 5.135 . 0 0 "[ . 1 . 2]" 1 73 1 8 VAL QG 1 43 VAL HA 4.800 . 5.800 3.831 3.235 4.862 . 0 0 "[ . 1 . 2]" 1 74 1 8 VAL QG 1 44 LEU H 3.800 . 4.800 3.322 2.850 4.578 . 0 0 "[ . 1 . 2]" 1 75 1 8 VAL QG 1 45 SER H 4.800 . 5.800 4.241 3.488 4.818 . 0 0 "[ . 1 . 2]" 1 76 1 8 VAL QG 1 45 SER HA 3.600 . 4.600 3.048 2.359 3.482 . 0 0 "[ . 1 . 2]" 1 77 1 8 VAL QG 1 45 SER QB 3.400 . 4.400 2.969 1.981 3.824 . 0 0 "[ . 1 . 2]" 1 78 1 8 VAL QG 1 46 ILE H 3.700 . 4.700 4.280 3.616 4.586 . 0 0 "[ . 1 . 2]" 1 79 1 8 VAL MG1 1 9 LEU H 4.400 . 5.400 3.055 2.722 4.087 . 0 0 "[ . 1 . 2]" 1 80 1 8 VAL MG1 1 45 SER HA 4.300 . 5.300 3.694 2.762 4.604 . 0 0 "[ . 1 . 2]" 1 81 1 8 VAL MG2 1 9 LEU H 4.400 . 5.400 4.050 2.704 4.216 . 0 0 "[ . 1 . 2]" 1 82 1 8 VAL MG2 1 45 SER HA 4.300 . 5.300 3.338 2.486 4.666 . 0 0 "[ . 1 . 2]" 1 83 1 9 LEU H 1 9 LEU HB2 4.000 . 4.000 2.654 2.430 3.743 . 0 0 "[ . 1 . 2]" 1 84 1 9 LEU H 1 9 LEU QB 3.100 . 4.100 2.376 2.215 2.968 . 0 0 "[ . 1 . 2]" 1 85 1 9 LEU H 1 9 LEU HB3 4.000 . 4.000 2.969 2.366 3.707 . 0 0 "[ . 1 . 2]" 1 86 1 9 LEU H 1 9 LEU MD1 5.000 . 6.000 3.861 2.370 4.379 . 0 0 "[ . 1 . 2]" 1 87 1 9 LEU H 1 9 LEU QD 4.100 . 5.100 3.401 2.220 3.809 . 0 0 "[ . 1 . 2]" 1 88 1 9 LEU H 1 9 LEU MD2 5.000 . 6.000 3.954 2.245 4.299 . 0 0 "[ . 1 . 2]" 1 89 1 9 LEU H 1 9 LEU HG 4.800 . 4.800 3.862 2.242 4.643 . 0 0 "[ . 1 . 2]" 1 90 1 9 LEU H 1 10 ASP H 4.700 . 4.700 4.316 4.106 4.468 . 0 0 "[ . 1 . 2]" 1 91 1 9 LEU H 1 11 LEU MD2 5.500 . 6.500 4.943 4.587 5.263 . 0 0 "[ . 1 . 2]" 1 92 1 9 LEU H 1 44 LEU H 4.000 . 4.000 2.940 2.760 3.165 . 0 0 "[ . 1 . 2]" 1 93 1 9 LEU H 1 44 LEU HA 5.100 . 5.100 4.722 4.640 4.837 . 0 0 "[ . 1 . 2]" 1 94 1 9 LEU H 1 44 LEU HB3 3.800 . 3.800 3.561 3.141 3.783 . 0 0 "[ . 1 . 2]" 1 95 1 9 LEU H 1 45 SER HA 4.000 . 4.000 3.306 3.008 3.711 . 0 0 "[ . 1 . 2]" 1 96 1 9 LEU H 1 46 ILE H 5.100 . 5.100 3.989 3.184 4.685 . 0 0 "[ . 1 . 2]" 1 97 1 9 LEU H 1 46 ILE MG 5.500 . 6.500 4.492 3.297 5.915 . 0 0 "[ . 1 . 2]" 1 98 1 9 LEU H 1 74 VAL QG 5.400 . 6.400 5.156 4.558 6.312 . 0 0 "[ . 1 . 2]" 1 99 1 9 LEU HA 1 9 LEU QD 3.200 . 4.200 2.297 2.080 3.439 . 0 0 "[ . 1 . 2]" 1 100 1 9 LEU HA 1 10 ASP H 3.000 . 3.000 2.151 2.079 2.218 . 0 0 "[ . 1 . 2]" 1 101 1 9 LEU HA 1 44 LEU H 5.300 . 5.300 4.652 4.525 4.798 . 0 0 "[ . 1 . 2]" 1 102 1 9 LEU HA 1 74 VAL QG 4.100 . 5.100 2.937 2.268 4.219 . 0 0 "[ . 1 . 2]" 1 103 1 9 LEU QB 1 9 LEU QD 2.700 . 3.700 1.942 1.911 2.070 . 0 0 "[ . 1 . 2]" 1 104 1 9 LEU QB 1 10 ASP H 4.200 . 5.200 3.538 2.964 3.967 . 0 0 "[ . 1 . 2]" 1 105 1 9 LEU QB 1 74 VAL QG 4.600 . 5.600 3.284 1.904 4.564 . 0 0 "[ . 1 . 2]" 1 106 1 9 LEU HB2 1 10 ASP H 5.000 . 5.000 4.250 3.086 4.496 . 0 0 "[ . 1 . 2]" 1 107 1 9 LEU HB3 1 10 ASP H 5.000 . 5.000 3.854 3.050 4.412 . 0 0 "[ . 1 . 2]" 1 108 1 9 LEU QD 1 10 ASP H 4.500 . 5.500 3.340 2.578 4.346 . 0 0 "[ . 1 . 2]" 1 109 1 9 LEU QD 1 74 VAL H 5.400 . 6.400 5.355 4.534 6.399 . 0 0 "[ . 1 . 2]" 1 110 1 9 LEU QD 1 74 VAL QG 3.600 . 4.600 2.162 1.894 2.795 . 0 0 "[ . 1 . 2]" 1 111 1 9 LEU QD 1 75 LEU H 5.400 . 6.400 4.543 3.771 5.515 . 0 0 "[ . 1 . 2]" 1 112 1 10 ASP H 1 10 ASP HB2 3.600 . 3.600 2.534 2.424 2.661 . 0 0 "[ . 1 . 2]" 1 113 1 10 ASP H 1 10 ASP HB3 3.700 . 3.700 2.724 2.554 3.676 . 0 0 "[ . 1 . 2]" 1 114 1 10 ASP H 1 11 LEU H 5.000 . 5.000 4.365 4.256 4.444 . 0 0 "[ . 1 . 2]" 1 115 1 10 ASP H 1 13 ARG QB 5.300 . 6.300 4.299 3.883 4.616 . 0 0 "[ . 1 . 2]" 1 116 1 10 ASP H 1 44 LEU H 5.500 . 5.500 4.855 4.601 5.024 . 0 0 "[ . 1 . 2]" 1 117 1 10 ASP H 1 74 VAL HA 4.300 . 4.300 3.291 2.834 3.953 . 0 0 "[ . 1 . 2]" 1 118 1 10 ASP H 1 74 VAL HB 5.500 . 5.500 4.266 2.751 4.812 . 0 0 "[ . 1 . 2]" 1 119 1 10 ASP H 1 74 VAL QG 3.900 . 4.900 2.568 1.775 3.784 0.025 14 0 "[ . 1 . 2]" 1 120 1 10 ASP HA 1 11 LEU MD2 4.500 . 5.500 4.455 4.157 4.776 . 0 0 "[ . 1 . 2]" 1 121 1 10 ASP HA 1 11 LEU HG 5.500 . 5.500 3.942 3.761 4.102 . 0 0 "[ . 1 . 2]" 1 122 1 10 ASP HA 1 43 VAL HA 4.000 . 4.000 2.496 2.199 2.843 . 0 0 "[ . 1 . 2]" 1 123 1 10 ASP HA 1 43 VAL HB 5.500 . 5.500 3.693 3.392 4.353 . 0 0 "[ . 1 . 2]" 1 124 1 10 ASP HA 1 43 VAL MG1 3.600 . 4.600 2.195 1.968 2.634 . 0 0 "[ . 1 . 2]" 1 125 1 10 ASP HB2 1 13 ARG H 5.200 . 5.200 4.335 3.200 4.536 . 0 0 "[ . 1 . 2]" 1 126 1 10 ASP HB2 1 13 ARG QB 3.800 . 4.800 3.452 2.069 3.987 . 0 0 "[ . 1 . 2]" 1 127 1 10 ASP HB2 1 74 VAL HA 3.600 . 3.600 3.409 2.511 3.671 0.071 20 0 "[ . 1 . 2]" 1 128 1 10 ASP HB3 1 11 LEU H 5.500 . 5.500 4.153 3.569 4.283 . 0 0 "[ . 1 . 2]" 1 129 1 10 ASP HB3 1 12 GLU H 4.700 . 4.700 4.184 3.273 4.510 . 0 0 "[ . 1 . 2]" 1 130 1 10 ASP HB3 1 13 ARG H 5.500 . 5.500 3.144 2.280 3.426 . 0 0 "[ . 1 . 2]" 1 131 1 10 ASP HB3 1 13 ARG HA 5.100 . 5.100 4.939 4.530 5.137 0.037 9 0 "[ . 1 . 2]" 1 132 1 10 ASP HB3 1 13 ARG QB 3.600 . 4.600 2.243 2.009 2.732 . 0 0 "[ . 1 . 2]" 1 133 1 10 ASP HB3 1 74 VAL HA 4.800 . 4.800 2.693 2.091 4.669 . 0 0 "[ . 1 . 2]" 1 134 1 11 LEU H 1 11 LEU QB 3.400 . 4.400 2.440 2.363 2.497 . 0 0 "[ . 1 . 2]" 1 135 1 11 LEU H 1 11 LEU MD1 4.200 . 5.200 3.723 3.521 3.895 . 0 0 "[ . 1 . 2]" 1 136 1 11 LEU H 1 11 LEU MD2 3.800 . 4.800 3.336 3.141 3.636 . 0 0 "[ . 1 . 2]" 1 137 1 11 LEU H 1 11 LEU HG 3.300 . 3.300 2.420 2.263 2.553 . 0 0 "[ . 1 . 2]" 1 138 1 11 LEU H 1 12 GLU QB 5.500 . 6.500 4.549 4.388 4.922 . 0 0 "[ . 1 . 2]" 1 139 1 11 LEU H 1 12 GLU QG 5.300 . 6.300 3.911 3.532 4.416 . 0 0 "[ . 1 . 2]" 1 140 1 11 LEU H 1 42 LYS HA 5.500 . 5.500 4.147 3.582 4.533 . 0 0 "[ . 1 . 2]" 1 141 1 11 LEU H 1 43 VAL HA 3.600 . 3.600 2.363 2.044 2.979 . 0 0 "[ . 1 . 2]" 1 142 1 11 LEU H 1 43 VAL HB 5.400 . 5.400 4.662 4.211 5.423 0.023 5 0 "[ . 1 . 2]" 1 143 1 11 LEU H 1 43 VAL MG1 4.100 . 5.100 3.385 3.051 3.914 . 0 0 "[ . 1 . 2]" 1 144 1 11 LEU H 1 43 VAL MG2 5.500 . 6.500 5.021 4.803 5.390 . 0 0 "[ . 1 . 2]" 1 145 1 11 LEU H 1 44 LEU H 4.900 . 4.900 3.880 3.558 4.186 . 0 0 "[ . 1 . 2]" 1 146 1 11 LEU HA 1 11 LEU MD1 4.000 . 5.000 3.839 3.768 3.872 . 0 0 "[ . 1 . 2]" 1 147 1 11 LEU HA 1 11 LEU MD2 2.900 . 3.900 2.064 2.016 2.163 . 0 0 "[ . 1 . 2]" 1 148 1 11 LEU HA 1 14 LEU H 3.700 . 3.700 3.221 2.944 3.657 . 0 0 "[ . 1 . 2]" 1 149 1 11 LEU HA 1 14 LEU HB2 3.600 . 3.600 2.768 2.207 3.558 . 0 0 "[ . 1 . 2]" 1 150 1 11 LEU HA 1 14 LEU QB 3.100 . 4.100 2.175 1.992 2.554 . 0 0 "[ . 1 . 2]" 1 151 1 11 LEU HA 1 14 LEU HB3 3.600 . 3.600 2.353 2.096 3.685 0.085 17 0 "[ . 1 . 2]" 1 152 1 11 LEU HA 1 14 LEU QD 3.800 . 4.800 2.874 2.036 3.663 . 0 0 "[ . 1 . 2]" 1 153 1 11 LEU HA 1 74 VAL QG 5.400 . 6.400 3.969 3.436 4.598 . 0 0 "[ . 1 . 2]" 1 154 1 11 LEU QB 1 11 LEU MD1 2.600 . 3.600 2.089 2.063 2.110 . 0 0 "[ . 1 . 2]" 1 155 1 11 LEU QB 1 11 LEU MD2 3.000 . 4.000 2.340 2.265 2.408 . 0 0 "[ . 1 . 2]" 1 156 1 11 LEU QB 1 12 GLU H 3.300 . 4.300 2.940 2.633 3.158 . 0 0 "[ . 1 . 2]" 1 157 1 11 LEU QB 1 12 GLU QG 5.200 . 6.200 3.446 3.083 4.166 . 0 0 "[ . 1 . 2]" 1 158 1 11 LEU QB 1 42 LYS HA 5.300 . 6.300 3.307 2.779 3.586 . 0 0 "[ . 1 . 2]" 1 159 1 11 LEU QB 1 43 VAL H 5.300 . 6.300 4.410 3.913 4.887 . 0 0 "[ . 1 . 2]" 1 160 1 11 LEU HB2 1 11 LEU MD1 3.000 . 4.000 2.348 2.277 2.387 . 0 0 "[ . 1 . 2]" 1 161 1 11 LEU HB3 1 11 LEU MD1 3.000 . 4.000 2.344 2.258 2.408 . 0 0 "[ . 1 . 2]" 1 162 1 11 LEU MD1 1 12 GLU H 5.000 . 6.000 4.866 4.485 5.041 . 0 0 "[ . 1 . 2]" 1 163 1 11 LEU MD1 1 33 GLN HE21 4.500 . 5.500 3.613 2.161 5.208 . 0 0 "[ . 1 . 2]" 1 164 1 11 LEU MD1 1 33 GLN QE 3.900 . 4.900 3.080 1.915 4.219 . 0 0 "[ . 1 . 2]" 1 165 1 11 LEU MD1 1 33 GLN HE22 4.500 . 5.500 3.408 2.112 5.174 . 0 0 "[ . 1 . 2]" 1 166 1 11 LEU MD1 1 33 GLN HG2 5.500 . 6.500 3.545 2.509 4.620 . 0 0 "[ . 1 . 2]" 1 167 1 11 LEU MD1 1 33 GLN HG3 5.500 . 6.500 3.471 2.321 4.270 . 0 0 "[ . 1 . 2]" 1 168 1 11 LEU MD1 1 41 GLY H 5.500 . 6.500 3.856 2.654 4.807 . 0 0 "[ . 1 . 2]" 1 169 1 11 LEU MD1 1 43 VAL H 5.400 . 6.400 3.763 3.064 4.801 . 0 0 "[ . 1 . 2]" 1 170 1 11 LEU MD1 1 43 VAL HA 4.900 . 5.900 3.790 3.374 4.408 . 0 0 "[ . 1 . 2]" 1 171 1 11 LEU MD1 1 44 LEU HB2 3.800 . 4.800 2.109 1.950 2.359 . 0 0 "[ . 1 . 2]" 1 172 1 11 LEU MD1 1 44 LEU MD1 3.500 . 4.500 3.162 2.342 3.730 . 0 0 "[ . 1 . 2]" 1 173 1 11 LEU MD2 1 12 GLU H 5.400 . 6.400 4.669 4.549 4.805 . 0 0 "[ . 1 . 2]" 1 174 1 11 LEU MD2 1 13 ARG H 5.500 . 6.500 5.771 5.524 6.051 . 0 0 "[ . 1 . 2]" 1 175 1 11 LEU MD2 1 14 LEU H 5.500 . 6.500 4.717 4.468 5.182 . 0 0 "[ . 1 . 2]" 1 176 1 11 LEU MD2 1 14 LEU QB 4.300 . 5.300 3.127 2.842 3.698 . 0 0 "[ . 1 . 2]" 1 177 1 11 LEU MD2 1 29 ALA MB 3.100 . 4.100 2.206 1.956 2.539 . 0 0 "[ . 1 . 2]" 1 178 1 11 LEU MD2 1 43 VAL H 5.500 . 6.500 5.587 5.255 5.995 . 0 0 "[ . 1 . 2]" 1 179 1 11 LEU MD2 1 43 VAL HA 5.400 . 6.400 4.138 3.642 4.724 . 0 0 "[ . 1 . 2]" 1 180 1 11 LEU MD2 1 44 LEU H 5.100 . 6.100 3.746 3.276 4.075 . 0 0 "[ . 1 . 2]" 1 181 1 11 LEU MD2 1 44 LEU HB2 3.800 . 4.800 2.529 2.080 2.968 . 0 0 "[ . 1 . 2]" 1 182 1 11 LEU MD2 1 44 LEU HB3 3.700 . 4.700 2.608 2.296 2.915 . 0 0 "[ . 1 . 2]" 1 183 1 11 LEU MD2 1 44 LEU MD2 2.800 . 3.800 2.575 2.235 3.008 . 0 0 "[ . 1 . 2]" 1 184 1 11 LEU HG 1 12 GLU H 4.800 . 4.800 4.480 4.235 4.685 . 0 0 "[ . 1 . 2]" 1 185 1 11 LEU HG 1 43 VAL H 5.400 . 5.400 4.295 3.866 4.750 . 0 0 "[ . 1 . 2]" 1 186 1 11 LEU HG 1 43 VAL HA 3.700 . 3.700 2.732 2.290 3.444 . 0 0 "[ . 1 . 2]" 1 187 1 12 GLU H 1 12 GLU QB 3.200 . 4.200 2.443 2.236 2.884 . 0 0 "[ . 1 . 2]" 1 188 1 12 GLU H 1 12 GLU HG2 3.900 . 3.900 2.875 2.067 3.754 . 0 0 "[ . 1 . 2]" 1 189 1 12 GLU H 1 12 GLU QG 3.300 . 4.300 2.323 2.010 2.680 . 0 0 "[ . 1 . 2]" 1 190 1 12 GLU H 1 12 GLU HG3 3.900 . 3.900 2.991 2.119 3.853 . 0 0 "[ . 1 . 2]" 1 191 1 12 GLU H 1 13 ARG H 2.900 . 2.900 2.449 2.266 2.643 . 0 0 "[ . 1 . 2]" 1 192 1 12 GLU H 1 14 LEU QB 5.300 . 6.300 4.358 4.166 4.553 . 0 0 "[ . 1 . 2]" 1 193 1 12 GLU H 1 42 LYS HA 5.300 . 5.300 3.813 3.262 4.567 . 0 0 "[ . 1 . 2]" 1 194 1 12 GLU H 1 43 VAL MG1 5.500 . 6.500 4.416 4.054 4.935 . 0 0 "[ . 1 . 2]" 1 195 1 12 GLU HA 1 12 GLU HG2 3.900 . 3.900 2.777 2.356 3.711 . 0 0 "[ . 1 . 2]" 1 196 1 12 GLU HA 1 12 GLU QG 3.300 . 4.300 2.664 2.286 3.328 . 0 0 "[ . 1 . 2]" 1 197 1 12 GLU HA 1 12 GLU HG3 3.900 . 3.900 3.465 2.962 3.798 . 0 0 "[ . 1 . 2]" 1 198 1 12 GLU HA 1 15 ALA H 5.500 . 5.500 3.335 2.945 3.841 . 0 0 "[ . 1 . 2]" 1 199 1 12 GLU QB 1 13 ARG H 3.400 . 4.400 2.561 2.351 3.449 . 0 0 "[ . 1 . 2]" 1 200 1 12 GLU QB 1 14 LEU H 4.800 . 5.800 4.543 4.387 4.979 . 0 0 "[ . 1 . 2]" 1 201 1 12 GLU QB 1 15 ALA H 5.200 . 6.200 4.706 4.516 5.120 . 0 0 "[ . 1 . 2]" 1 202 1 12 GLU QB 1 15 ALA MB 5.500 . 6.500 4.127 3.734 4.747 . 0 0 "[ . 1 . 2]" 1 203 1 12 GLU QG 1 13 ARG H 4.700 . 5.700 3.889 2.285 4.215 . 0 0 "[ . 1 . 2]" 1 204 1 12 GLU QG 1 42 LYS HA 4.700 . 5.700 2.360 1.959 3.429 . 0 0 "[ . 1 . 2]" 1 205 1 12 GLU QG 1 42 LYS QB 5.200 . 6.200 3.496 2.312 4.611 . 0 0 "[ . 1 . 2]" 1 206 1 12 GLU QG 1 42 LYS QD 5.300 . 6.300 3.808 1.964 6.310 0.010 3 0 "[ . 1 . 2]" 1 207 1 12 GLU HG2 1 13 ARG H 5.400 . 5.400 4.512 3.202 5.046 . 0 0 "[ . 1 . 2]" 1 208 1 12 GLU HG2 1 42 LYS HA 5.500 . 5.500 2.939 1.976 4.431 . 0 0 "[ . 1 . 2]" 1 209 1 12 GLU HG3 1 13 ARG H 5.400 . 5.400 4.380 2.339 4.947 . 0 0 "[ . 1 . 2]" 1 210 1 12 GLU HG3 1 42 LYS HA 5.500 . 5.500 2.985 2.011 5.044 . 0 0 "[ . 1 . 2]" 1 211 1 13 ARG H 1 13 ARG QB 2.900 . 3.900 2.266 2.120 2.442 . 0 0 "[ . 1 . 2]" 1 212 1 13 ARG H 1 13 ARG QD 4.800 . 5.800 4.145 3.441 4.443 . 0 0 "[ . 1 . 2]" 1 213 1 13 ARG H 1 13 ARG QG 4.100 . 5.100 3.752 2.254 4.088 . 0 0 "[ . 1 . 2]" 1 214 1 13 ARG H 1 14 LEU H 3.400 . 3.400 2.527 2.376 2.650 . 0 0 "[ . 1 . 2]" 1 215 1 13 ARG H 1 14 LEU QB 5.000 . 6.000 4.220 4.059 4.460 . 0 0 "[ . 1 . 2]" 1 216 1 13 ARG H 1 15 ALA H 4.700 . 4.700 4.019 3.819 4.218 . 0 0 "[ . 1 . 2]" 1 217 1 13 ARG H 1 43 VAL MG1 5.500 . 6.500 5.366 5.091 5.975 . 0 0 "[ . 1 . 2]" 1 218 1 13 ARG H 1 74 VAL MG1 5.500 . 6.500 4.514 3.920 6.310 . 0 0 "[ . 1 . 2]" 1 219 1 13 ARG H 1 74 VAL QG 4.700 . 5.700 4.040 3.880 4.273 . 0 0 "[ . 1 . 2]" 1 220 1 13 ARG H 1 74 VAL MG2 5.500 . 6.500 4.896 4.345 6.504 0.004 10 0 "[ . 1 . 2]" 1 221 1 13 ARG HA 1 13 ARG QD 3.100 . 4.100 2.102 1.889 2.952 . 0 0 "[ . 1 . 2]" 1 222 1 13 ARG HA 1 13 ARG QG 3.100 . 4.100 2.895 2.552 3.108 . 0 0 "[ . 1 . 2]" 1 223 1 13 ARG HA 1 15 ALA H 5.500 . 5.500 4.071 3.726 4.453 . 0 0 "[ . 1 . 2]" 1 224 1 13 ARG HA 1 16 THR H 4.200 . 4.200 3.397 3.075 3.817 . 0 0 "[ . 1 . 2]" 1 225 1 13 ARG HA 1 16 THR MG 4.400 . 5.400 3.963 3.241 4.600 . 0 0 "[ . 1 . 2]" 1 226 1 13 ARG QB 1 13 ARG QD 3.200 . 4.200 2.501 2.239 2.801 . 0 0 "[ . 1 . 2]" 1 227 1 13 ARG QB 1 14 LEU H 3.300 . 4.300 2.637 2.366 2.843 . 0 0 "[ . 1 . 2]" 1 228 1 13 ARG QB 1 15 ALA H 5.200 . 6.200 4.651 4.467 4.833 . 0 0 "[ . 1 . 2]" 1 229 1 13 ARG QB 1 16 THR MG 4.900 . 5.900 5.318 4.780 5.937 0.037 14 0 "[ . 1 . 2]" 1 230 1 13 ARG QB 1 74 VAL H 5.500 . 6.500 4.684 3.766 5.259 . 0 0 "[ . 1 . 2]" 1 231 1 13 ARG QB 1 74 VAL HA 3.400 . 4.400 2.642 2.168 3.146 . 0 0 "[ . 1 . 2]" 1 232 1 13 ARG QB 1 74 VAL MG1 4.100 . 5.100 2.974 1.797 4.233 0.003 15 0 "[ . 1 . 2]" 1 233 1 13 ARG QB 1 74 VAL QG 3.300 . 4.300 2.341 1.794 2.875 0.006 15 0 "[ . 1 . 2]" 1 234 1 13 ARG QB 1 74 VAL MG2 4.100 . 5.100 2.902 2.052 4.800 . 0 0 "[ . 1 . 2]" 1 235 1 13 ARG QD 1 14 LEU H 5.500 . 6.500 4.782 4.507 5.182 . 0 0 "[ . 1 . 2]" 1 236 1 13 ARG QD 1 15 ALA H 5.400 . 6.400 5.619 5.174 6.444 0.044 12 0 "[ . 1 . 2]" 1 237 1 13 ARG QD 1 16 THR MG 5.300 . 6.300 3.773 2.754 5.064 . 0 0 "[ . 1 . 2]" 1 238 1 13 ARG QD 1 74 VAL MG1 5.500 . 6.500 5.195 3.903 6.033 . 0 0 "[ . 1 . 2]" 1 239 1 13 ARG QD 1 74 VAL MG2 5.500 . 6.500 4.486 3.434 6.311 . 0 0 "[ . 1 . 2]" 1 240 1 13 ARG QG 1 14 LEU H 4.600 . 5.600 3.903 3.603 4.551 . 0 0 "[ . 1 . 2]" 1 241 1 13 ARG QG 1 16 THR H 4.600 . 5.600 4.846 4.454 5.674 0.074 15 0 "[ . 1 . 2]" 1 242 1 13 ARG QG 1 74 VAL H 5.500 . 6.500 4.018 3.515 5.597 . 0 0 "[ . 1 . 2]" 1 243 1 13 ARG QG 1 74 VAL HA 3.500 . 4.500 2.919 2.443 3.484 . 0 0 "[ . 1 . 2]" 1 244 1 13 ARG QG 1 74 VAL MG1 3.700 . 4.700 3.706 2.324 4.728 0.028 7 0 "[ . 1 . 2]" 1 245 1 13 ARG QG 1 74 VAL MG2 3.700 . 4.700 3.047 1.970 4.870 0.170 15 0 "[ . 1 . 2]" 1 246 1 14 LEU H 1 14 LEU HB2 3.500 . 3.500 2.424 2.141 2.558 . 0 0 "[ . 1 . 2]" 1 247 1 14 LEU H 1 14 LEU QB 3.000 . 4.000 2.199 2.084 2.245 . 0 0 "[ . 1 . 2]" 1 248 1 14 LEU H 1 14 LEU HB3 3.500 . 3.500 2.579 2.429 3.535 0.035 17 0 "[ . 1 . 2]" 1 249 1 14 LEU H 1 14 LEU MD1 4.700 . 5.700 4.070 3.740 4.329 . 0 0 "[ . 1 . 2]" 1 250 1 14 LEU H 1 14 LEU QD 4.000 . 5.000 3.639 3.193 3.716 . 0 0 "[ . 1 . 2]" 1 251 1 14 LEU H 1 14 LEU MD2 4.700 . 5.700 4.125 3.465 4.241 . 0 0 "[ . 1 . 2]" 1 252 1 14 LEU H 1 15 ALA H 3.500 . 3.500 2.647 2.583 2.815 . 0 0 "[ . 1 . 2]" 1 253 1 14 LEU H 1 16 THR H 5.500 . 5.500 4.022 3.826 4.245 . 0 0 "[ . 1 . 2]" 1 254 1 14 LEU H 1 17 VAL QG 5.400 . 6.400 4.192 4.002 4.454 . 0 0 "[ . 1 . 2]" 1 255 1 14 LEU H 1 74 VAL MG1 4.300 . 5.300 3.243 2.671 5.238 . 0 0 "[ . 1 . 2]" 1 256 1 14 LEU H 1 74 VAL QG 3.400 . 4.400 2.865 2.616 3.619 . 0 0 "[ . 1 . 2]" 1 257 1 14 LEU H 1 74 VAL MG2 4.300 . 5.300 3.564 2.960 5.034 . 0 0 "[ . 1 . 2]" 1 258 1 14 LEU HA 1 14 LEU QD 3.200 . 4.200 2.078 1.947 2.183 . 0 0 "[ . 1 . 2]" 1 259 1 14 LEU HA 1 16 THR H 4.700 . 4.700 3.865 3.466 4.212 . 0 0 "[ . 1 . 2]" 1 260 1 14 LEU HA 1 17 VAL H 5.200 . 5.200 3.484 3.162 3.807 . 0 0 "[ . 1 . 2]" 1 261 1 14 LEU HA 1 17 VAL QG 3.200 . 4.200 2.398 2.078 2.861 . 0 0 "[ . 1 . 2]" 1 262 1 14 LEU HA 1 74 VAL MG1 3.600 . 4.600 3.194 1.962 4.556 . 0 0 "[ . 1 . 2]" 1 263 1 14 LEU HA 1 74 VAL QG 3.000 . 4.000 2.414 1.956 3.903 . 0 0 "[ . 1 . 2]" 1 264 1 14 LEU HA 1 74 VAL MG2 3.600 . 4.600 2.847 2.231 4.244 . 0 0 "[ . 1 . 2]" 1 265 1 14 LEU QB 1 15 ALA H 3.700 . 4.700 2.702 2.509 3.153 . 0 0 "[ . 1 . 2]" 1 266 1 14 LEU QB 1 74 VAL QG 3.900 . 4.900 2.429 2.034 3.644 . 0 0 "[ . 1 . 2]" 1 267 1 14 LEU QD 1 15 ALA H 4.500 . 5.500 3.991 3.624 4.367 . 0 0 "[ . 1 . 2]" 1 268 1 14 LEU QD 1 15 ALA HA 5.200 . 6.200 4.309 3.468 5.177 . 0 0 "[ . 1 . 2]" 1 269 1 14 LEU QD 1 16 THR H 5.400 . 6.400 4.875 4.323 5.159 . 0 0 "[ . 1 . 2]" 1 270 1 14 LEU QD 1 17 VAL H 3.900 . 4.900 4.202 3.706 4.528 . 0 0 "[ . 1 . 2]" 1 271 1 14 LEU QD 1 17 VAL HB 4.500 . 5.500 2.945 2.487 4.665 . 0 0 "[ . 1 . 2]" 1 272 1 14 LEU QD 1 17 VAL QG 3.100 . 4.100 2.714 2.315 3.239 . 0 0 "[ . 1 . 2]" 1 273 1 14 LEU QD 1 22 ALA HA 3.900 . 4.900 2.949 2.196 3.574 . 0 0 "[ . 1 . 2]" 1 274 1 14 LEU QD 1 26 GLN HA 3.500 . 4.500 2.684 2.196 3.584 . 0 0 "[ . 1 . 2]" 1 275 1 14 LEU QD 1 26 GLN HE21 4.400 . 5.400 3.469 2.764 3.945 . 0 0 "[ . 1 . 2]" 1 276 1 14 LEU QD 1 26 GLN HE22 5.400 . 6.400 4.166 2.791 4.970 . 0 0 "[ . 1 . 2]" 1 277 1 14 LEU QD 1 26 GLN QG 3.000 . 4.000 2.494 1.887 3.718 . 0 0 "[ . 1 . 2]" 1 278 1 14 LEU QD 1 29 ALA H 5.400 . 6.400 4.429 3.931 5.768 . 0 0 "[ . 1 . 2]" 1 279 1 14 LEU QD 1 72 TRP HE3 4.900 . 5.900 3.168 2.500 3.670 . 0 0 "[ . 1 . 2]" 1 280 1 14 LEU QD 1 72 TRP HZ3 4.700 . 5.700 3.099 2.555 3.728 . 0 0 "[ . 1 . 2]" 1 281 1 14 LEU MD1 1 15 ALA H 5.200 . 6.200 4.526 3.781 5.117 . 0 0 "[ . 1 . 2]" 1 282 1 14 LEU MD1 1 26 GLN H 5.500 . 6.500 3.988 3.124 4.689 . 0 0 "[ . 1 . 2]" 1 283 1 14 LEU MD1 1 26 GLN HE21 5.500 . 6.500 3.965 2.777 5.021 . 0 0 "[ . 1 . 2]" 1 284 1 14 LEU MD2 1 15 ALA H 5.200 . 6.200 4.474 4.168 4.736 . 0 0 "[ . 1 . 2]" 1 285 1 14 LEU MD2 1 26 GLN H 5.500 . 6.500 3.770 2.936 5.392 . 0 0 "[ . 1 . 2]" 1 286 1 14 LEU MD2 1 26 GLN HE21 5.500 . 6.500 4.194 2.939 6.125 . 0 0 "[ . 1 . 2]" 1 287 1 14 LEU HG 1 15 ALA H 5.500 . 5.500 4.141 3.655 5.136 . 0 0 "[ . 1 . 2]" 1 288 1 14 LEU HG 1 22 ALA MB 4.700 . 5.700 2.891 2.312 4.393 . 0 0 "[ . 1 . 2]" 1 289 1 14 LEU HG 1 26 GLN HE21 5.500 . 5.500 3.317 1.823 5.525 0.025 20 0 "[ . 1 . 2]" 1 290 1 15 ALA H 1 15 ALA MB 2.900 . 3.900 2.246 2.230 2.265 . 0 0 "[ . 1 . 2]" 1 291 1 15 ALA H 1 16 THR H 3.600 . 3.600 2.554 2.357 2.785 . 0 0 "[ . 1 . 2]" 1 292 1 15 ALA H 1 16 THR HA 5.500 . 5.500 5.136 4.966 5.313 . 0 0 "[ . 1 . 2]" 1 293 1 15 ALA H 1 16 THR MG 5.000 . 6.000 5.213 4.181 5.896 . 0 0 "[ . 1 . 2]" 1 294 1 15 ALA H 1 17 VAL QG 5.300 . 6.300 4.441 4.208 4.737 . 0 0 "[ . 1 . 2]" 1 295 1 15 ALA H 1 26 GLN HE21 5.500 . 5.500 4.386 3.545 5.314 . 0 0 "[ . 1 . 2]" 1 296 1 15 ALA H 1 26 GLN HE22 5.500 . 5.500 4.590 3.080 5.511 0.011 11 0 "[ . 1 . 2]" 1 297 1 15 ALA H 1 74 VAL QG 5.400 . 6.400 4.566 4.294 5.591 . 0 0 "[ . 1 . 2]" 1 298 1 15 ALA HA 1 17 VAL H 4.300 . 4.300 3.759 3.452 4.301 0.001 15 0 "[ . 1 . 2]" 1 299 1 15 ALA HA 1 22 ALA MB 5.500 . 6.500 4.252 3.371 4.758 . 0 0 "[ . 1 . 2]" 1 300 1 15 ALA HA 1 26 GLN HE21 4.600 . 4.600 2.722 1.932 3.883 . 0 0 "[ . 1 . 2]" 1 301 1 15 ALA HA 1 26 GLN HE22 5.500 . 5.500 2.666 1.907 4.671 . 0 0 "[ . 1 . 2]" 1 302 1 15 ALA MB 1 16 THR H 3.800 . 4.800 2.999 2.733 3.296 . 0 0 "[ . 1 . 2]" 1 303 1 15 ALA MB 1 26 GLN HE21 5.500 . 6.500 3.726 2.651 4.688 . 0 0 "[ . 1 . 2]" 1 304 1 15 ALA MB 1 26 GLN HE22 5.500 . 6.500 3.388 2.449 4.069 . 0 0 "[ . 1 . 2]" 1 305 1 16 THR H 1 16 THR HB 4.100 . 4.100 2.986 2.438 3.728 . 0 0 "[ . 1 . 2]" 1 306 1 16 THR H 1 16 THR MG 3.500 . 4.500 3.365 2.600 3.834 . 0 0 "[ . 1 . 2]" 1 307 1 16 THR H 1 17 VAL H 3.100 . 3.100 2.321 2.157 2.613 . 0 0 "[ . 1 . 2]" 1 308 1 16 THR H 1 17 VAL QG 4.400 . 5.400 3.405 3.006 3.716 . 0 0 "[ . 1 . 2]" 1 309 1 16 THR H 1 74 VAL QG 5.400 . 6.400 4.831 4.402 6.360 . 0 0 "[ . 1 . 2]" 1 310 1 16 THR HA 1 16 THR MG 3.300 . 4.300 2.310 2.187 2.439 . 0 0 "[ . 1 . 2]" 1 311 1 16 THR HB 1 17 VAL H 5.500 . 5.500 3.632 2.781 4.357 . 0 0 "[ . 1 . 2]" 1 312 1 16 THR HB 1 17 VAL QG 5.400 . 6.400 3.799 3.016 4.563 . 0 0 "[ . 1 . 2]" 1 313 1 16 THR MG 1 17 VAL H 4.600 . 5.600 4.170 3.780 4.371 . 0 0 "[ . 1 . 2]" 1 314 1 17 VAL H 1 17 VAL HB 3.100 . 3.100 2.518 2.406 2.862 . 0 0 "[ . 1 . 2]" 1 315 1 17 VAL H 1 17 VAL MG1 3.900 . 4.900 3.698 2.008 3.840 . 0 0 "[ . 1 . 2]" 1 316 1 17 VAL H 1 17 VAL QG 3.100 . 4.100 2.295 1.991 2.522 . 0 0 "[ . 1 . 2]" 1 317 1 17 VAL H 1 17 VAL MG2 3.900 . 4.900 2.406 1.998 3.822 . 0 0 "[ . 1 . 2]" 1 318 1 17 VAL H 1 18 PRO HD2 5.500 . 5.500 4.947 4.699 5.224 . 0 0 "[ . 1 . 2]" 1 319 1 17 VAL H 1 18 PRO QD 4.800 . 5.800 4.320 4.235 4.381 . 0 0 "[ . 1 . 2]" 1 320 1 17 VAL H 1 18 PRO HD3 5.500 . 5.500 4.792 4.598 5.206 . 0 0 "[ . 1 . 2]" 1 321 1 17 VAL H 1 22 ALA MB 4.500 . 5.500 3.808 3.294 4.242 . 0 0 "[ . 1 . 2]" 1 322 1 17 VAL HA 1 18 PRO HD2 3.500 . 3.500 2.270 1.995 2.567 . 0 0 "[ . 1 . 2]" 1 323 1 17 VAL HA 1 18 PRO QD 3.000 . 4.000 1.984 1.900 2.041 . 0 0 "[ . 1 . 2]" 1 324 1 17 VAL HA 1 18 PRO HD3 3.500 . 3.500 2.277 2.013 2.754 . 0 0 "[ . 1 . 2]" 1 325 1 17 VAL HA 1 18 PRO QG 4.300 . 5.300 3.890 3.795 3.953 . 0 0 "[ . 1 . 2]" 1 326 1 17 VAL HB 1 22 ALA MB 4.300 . 5.300 2.269 1.928 4.482 . 0 0 "[ . 1 . 2]" 1 327 1 17 VAL QG 1 18 PRO QD 3.200 . 4.200 2.103 1.981 2.225 . 0 0 "[ . 1 . 2]" 1 328 1 17 VAL QG 1 18 PRO QG 4.600 . 5.600 3.419 2.731 3.805 . 0 0 "[ . 1 . 2]" 1 329 1 17 VAL QG 1 21 LYS H 5.400 . 6.400 3.861 3.535 4.579 . 0 0 "[ . 1 . 2]" 1 330 1 17 VAL QG 1 21 LYS HB2 3.800 . 4.800 2.634 1.958 3.469 . 0 0 "[ . 1 . 2]" 1 331 1 17 VAL QG 1 21 LYS HB3 4.200 . 5.200 3.605 2.920 4.595 . 0 0 "[ . 1 . 2]" 1 332 1 17 VAL QG 1 21 LYS QE 5.400 . 6.400 4.448 3.366 5.163 . 0 0 "[ . 1 . 2]" 1 333 1 17 VAL QG 1 21 LYS QG 4.800 . 5.800 3.985 2.845 4.726 . 0 0 "[ . 1 . 2]" 1 334 1 17 VAL QG 1 22 ALA H 4.100 . 5.100 3.016 2.606 3.606 . 0 0 "[ . 1 . 2]" 1 335 1 17 VAL QG 1 22 ALA HA 5.200 . 6.200 3.796 3.320 4.087 . 0 0 "[ . 1 . 2]" 1 336 1 17 VAL QG 1 22 ALA MB 3.100 . 4.100 2.181 1.990 2.561 . 0 0 "[ . 1 . 2]" 1 337 1 17 VAL QG 1 72 TRP H 5.400 . 6.400 4.768 4.584 5.242 . 0 0 "[ . 1 . 2]" 1 338 1 17 VAL QG 1 72 TRP HA 5.000 . 6.000 3.706 3.225 4.387 . 0 0 "[ . 1 . 2]" 1 339 1 17 VAL QG 1 72 TRP HB2 4.400 . 5.400 3.114 2.898 3.603 . 0 0 "[ . 1 . 2]" 1 340 1 17 VAL QG 1 72 TRP HB3 3.600 . 4.600 2.142 1.965 2.736 . 0 0 "[ . 1 . 2]" 1 341 1 17 VAL QG 1 72 TRP HE1 5.400 . 6.400 3.910 3.380 4.319 . 0 0 "[ . 1 . 2]" 1 342 1 17 VAL QG 1 72 TRP HZ3 5.400 . 6.400 3.680 2.885 4.541 . 0 0 "[ . 1 . 2]" 1 343 1 17 VAL QG 1 74 VAL H 5.400 . 6.400 4.681 4.338 5.604 . 0 0 "[ . 1 . 2]" 1 344 1 17 VAL QG 1 74 VAL QG 4.600 . 5.600 2.341 2.044 3.311 . 0 0 "[ . 1 . 2]" 1 345 1 17 VAL MG1 1 18 PRO HD2 5.500 . 6.500 2.246 2.020 4.037 . 0 0 "[ . 1 . 2]" 1 346 1 17 VAL MG1 1 18 PRO HD3 5.500 . 6.500 3.482 3.247 4.923 . 0 0 "[ . 1 . 2]" 1 347 1 17 VAL MG1 1 22 ALA H 5.300 . 6.300 3.048 2.615 3.969 . 0 0 "[ . 1 . 2]" 1 348 1 17 VAL MG1 1 22 ALA MB 3.800 . 4.800 2.212 2.017 2.615 . 0 0 "[ . 1 . 2]" 1 349 1 17 VAL MG2 1 18 PRO HD2 5.500 . 6.500 3.590 2.000 3.983 . 0 0 "[ . 1 . 2]" 1 350 1 17 VAL MG2 1 18 PRO HD3 5.500 . 6.500 4.179 3.465 4.637 . 0 0 "[ . 1 . 2]" 1 351 1 17 VAL MG2 1 22 ALA H 5.300 . 6.300 5.351 4.139 5.877 . 0 0 "[ . 1 . 2]" 1 352 1 17 VAL MG2 1 22 ALA MB 3.800 . 4.800 3.339 3.061 3.666 . 0 0 "[ . 1 . 2]" 1 353 1 18 PRO HA 1 19 ALA H 3.200 . 3.200 2.152 2.084 2.302 . 0 0 "[ . 1 . 2]" 1 354 1 18 PRO HA 1 19 ALA MB 4.200 . 5.200 3.969 3.929 4.051 . 0 0 "[ . 1 . 2]" 1 355 1 18 PRO HA 1 20 GLU H 5.500 . 5.500 3.890 3.544 4.362 . 0 0 "[ . 1 . 2]" 1 356 1 18 PRO HB2 1 19 ALA MB 4.500 . 5.500 4.991 4.238 5.444 . 0 0 "[ . 1 . 2]" 1 357 1 18 PRO HB2 1 22 ALA H 5.500 . 5.500 4.329 3.779 5.048 . 0 0 "[ . 1 . 2]" 1 358 1 18 PRO QG 1 19 ALA H 5.500 . 6.500 4.522 4.305 4.756 . 0 0 "[ . 1 . 2]" 1 359 1 18 PRO QG 1 21 LYS H 4.600 . 5.600 4.729 3.399 5.389 . 0 0 "[ . 1 . 2]" 1 360 1 18 PRO QG 1 21 LYS QD 4.900 . 5.900 4.024 2.918 5.807 . 0 0 "[ . 1 . 2]" 1 361 1 18 PRO QG 1 21 LYS QG 3.900 . 4.900 4.258 2.508 4.918 0.018 19 0 "[ . 1 . 2]" 1 362 1 18 PRO QG 1 22 ALA H 5.400 . 6.400 5.412 4.246 5.803 . 0 0 "[ . 1 . 2]" 1 363 1 19 ALA H 1 19 ALA MB 3.400 . 4.400 2.226 2.202 2.255 . 0 0 "[ . 1 . 2]" 1 364 1 19 ALA H 1 20 GLU H 5.500 . 5.500 2.695 2.507 2.928 . 0 0 "[ . 1 . 2]" 1 365 1 19 ALA H 1 23 GLY H 5.500 . 5.500 5.098 4.823 5.427 . 0 0 "[ . 1 . 2]" 1 366 1 19 ALA HA 1 21 LYS H 5.500 . 5.500 3.784 3.499 4.242 . 0 0 "[ . 1 . 2]" 1 367 1 19 ALA HA 1 22 ALA H 3.600 . 3.600 3.224 2.808 3.525 . 0 0 "[ . 1 . 2]" 1 368 1 19 ALA HA 1 22 ALA MB 3.600 . 4.600 3.091 2.038 3.745 . 0 0 "[ . 1 . 2]" 1 369 1 19 ALA HA 1 23 GLY H 3.700 . 3.700 2.610 2.231 3.042 . 0 0 "[ . 1 . 2]" 1 370 1 19 ALA MB 1 20 GLU H 4.200 . 5.200 2.897 2.612 3.044 . 0 0 "[ . 1 . 2]" 1 371 1 19 ALA MB 1 22 ALA H 5.500 . 6.500 4.612 4.285 4.858 . 0 0 "[ . 1 . 2]" 1 372 1 19 ALA MB 1 23 GLY H 4.500 . 5.500 3.723 3.417 4.065 . 0 0 "[ . 1 . 2]" 1 373 1 20 GLU H 1 20 GLU QB 3.600 . 4.600 2.505 2.226 2.905 . 0 0 "[ . 1 . 2]" 1 374 1 20 GLU H 1 20 GLU QG 4.700 . 5.700 2.459 1.818 4.105 . 0 0 "[ . 1 . 2]" 1 375 1 20 GLU H 1 21 LYS H 4.400 . 4.400 2.688 2.417 2.874 . 0 0 "[ . 1 . 2]" 1 376 1 20 GLU HA 1 20 GLU QG 3.500 . 4.500 2.780 2.356 3.534 . 0 0 "[ . 1 . 2]" 1 377 1 20 GLU QB 1 21 LYS H 4.400 . 5.400 2.864 2.230 3.770 . 0 0 "[ . 1 . 2]" 1 378 1 20 GLU QB 1 22 ALA H 5.300 . 6.300 4.749 4.245 5.561 . 0 0 "[ . 1 . 2]" 1 379 1 20 GLU HB2 1 21 LYS H 5.100 . 5.100 3.074 2.251 4.067 . 0 0 "[ . 1 . 2]" 1 380 1 20 GLU HB3 1 21 LYS H 5.100 . 5.100 3.773 2.715 4.458 . 0 0 "[ . 1 . 2]" 1 381 1 20 GLU QG 1 21 LYS H 4.900 . 5.900 3.877 1.886 4.531 . 0 0 "[ . 1 . 2]" 1 382 1 21 LYS H 1 21 LYS HB2 3.300 . 3.300 2.601 2.398 2.727 . 0 0 "[ . 1 . 2]" 1 383 1 21 LYS H 1 21 LYS HB3 3.900 . 3.900 3.727 3.613 3.823 . 0 0 "[ . 1 . 2]" 1 384 1 21 LYS H 1 22 ALA H 3.200 . 3.200 2.101 1.858 2.352 . 0 0 "[ . 1 . 2]" 1 385 1 21 LYS H 1 22 ALA MB 4.800 . 5.800 3.937 3.648 4.181 . 0 0 "[ . 1 . 2]" 1 386 1 21 LYS H 1 23 GLY H 5.000 . 5.000 3.386 3.057 3.727 . 0 0 "[ . 1 . 2]" 1 387 1 21 LYS HA 1 21 LYS QD 4.600 . 5.600 4.005 3.158 4.256 . 0 0 "[ . 1 . 2]" 1 388 1 21 LYS HA 1 21 LYS QE 5.500 . 6.500 4.537 1.846 5.250 . 0 0 "[ . 1 . 2]" 1 389 1 21 LYS HA 1 21 LYS QG 3.700 . 4.700 2.503 2.398 2.996 . 0 0 "[ . 1 . 2]" 1 390 1 21 LYS HB2 1 22 ALA H 3.300 . 3.300 2.627 2.260 3.091 . 0 0 "[ . 1 . 2]" 1 391 1 21 LYS HB2 1 72 TRP HZ2 4.000 . 4.000 3.793 3.281 4.033 0.033 12 0 "[ . 1 . 2]" 1 392 1 21 LYS HB3 1 21 LYS QE 4.700 . 5.700 3.632 1.983 4.189 . 0 0 "[ . 1 . 2]" 1 393 1 21 LYS HB3 1 22 ALA H 5.400 . 5.400 3.687 3.347 4.035 . 0 0 "[ . 1 . 2]" 1 394 1 21 LYS HB3 1 22 ALA HA 5.500 . 5.500 4.384 4.168 4.586 . 0 0 "[ . 1 . 2]" 1 395 1 21 LYS HB3 1 72 TRP HH2 5.500 . 5.500 3.002 2.497 3.832 . 0 0 "[ . 1 . 2]" 1 396 1 21 LYS HB3 1 72 TRP HZ2 3.900 . 3.900 2.627 1.954 3.104 . 0 0 "[ . 1 . 2]" 1 397 1 21 LYS QD 1 22 ALA H 4.700 . 5.700 4.764 4.251 5.605 . 0 0 "[ . 1 . 2]" 1 398 1 21 LYS QD 1 72 TRP HE1 4.100 . 5.100 2.974 2.177 3.930 . 0 0 "[ . 1 . 2]" 1 399 1 21 LYS QD 1 72 TRP HZ2 5.300 . 6.300 2.549 1.961 4.051 . 0 0 "[ . 1 . 2]" 1 400 1 21 LYS HD2 1 72 TRP HE1 4.800 . 4.800 3.852 2.897 4.822 0.022 19 0 "[ . 1 . 2]" 1 401 1 21 LYS HD3 1 72 TRP HE1 4.800 . 4.800 3.168 2.250 4.822 0.022 1 0 "[ . 1 . 2]" 1 402 1 21 LYS QE 1 21 LYS QG 3.000 . 4.000 2.291 2.108 2.717 . 0 0 "[ . 1 . 2]" 1 403 1 21 LYS QG 1 22 ALA H 5.500 . 6.500 4.019 3.679 4.288 . 0 0 "[ . 1 . 2]" 1 404 1 21 LYS QG 1 72 TRP HZ2 5.500 . 6.500 3.822 3.181 4.423 . 0 0 "[ . 1 . 2]" 1 405 1 22 ALA H 1 22 ALA MB 3.100 . 4.100 2.280 2.222 2.355 . 0 0 "[ . 1 . 2]" 1 406 1 22 ALA H 1 23 GLY H 3.500 . 3.500 2.437 2.298 2.589 . 0 0 "[ . 1 . 2]" 1 407 1 22 ALA HA 1 25 LEU H 4.000 . 4.000 3.556 3.282 3.795 . 0 0 "[ . 1 . 2]" 1 408 1 22 ALA HA 1 25 LEU QB 5.300 . 6.300 2.505 2.118 3.029 . 0 0 "[ . 1 . 2]" 1 409 1 22 ALA HA 1 25 LEU MD1 4.800 . 5.800 4.666 2.854 5.636 . 0 0 "[ . 1 . 2]" 1 410 1 22 ALA HA 1 25 LEU QD 4.200 . 5.200 3.158 2.687 3.863 . 0 0 "[ . 1 . 2]" 1 411 1 22 ALA HA 1 25 LEU MD2 4.800 . 5.800 3.479 2.703 4.631 . 0 0 "[ . 1 . 2]" 1 412 1 22 ALA HA 1 25 LEU HG 5.500 . 5.500 4.626 3.553 5.330 . 0 0 "[ . 1 . 2]" 1 413 1 22 ALA HA 1 26 GLN H 4.200 . 4.200 4.092 3.882 4.237 0.037 10 0 "[ . 1 . 2]" 1 414 1 22 ALA HA 1 72 TRP HH2 5.000 . 5.000 4.212 3.429 5.009 0.009 13 0 "[ . 1 . 2]" 1 415 1 22 ALA HA 1 72 TRP HZ3 4.700 . 4.700 3.977 3.209 4.407 . 0 0 "[ . 1 . 2]" 1 416 1 22 ALA MB 1 23 GLY H 4.000 . 5.000 3.128 2.621 3.351 . 0 0 "[ . 1 . 2]" 1 417 1 22 ALA MB 1 25 LEU H 5.500 . 6.500 4.443 4.291 4.660 . 0 0 "[ . 1 . 2]" 1 418 1 22 ALA MB 1 25 LEU QB 5.300 . 6.300 3.300 2.955 4.038 . 0 0 "[ . 1 . 2]" 1 419 1 22 ALA MB 1 26 GLN H 4.000 . 5.000 3.858 3.564 4.214 . 0 0 "[ . 1 . 2]" 1 420 1 22 ALA MB 1 26 GLN HA 5.500 . 6.500 4.991 4.583 5.424 . 0 0 "[ . 1 . 2]" 1 421 1 22 ALA MB 1 26 GLN HB2 5.500 . 6.500 4.587 4.318 5.427 . 0 0 "[ . 1 . 2]" 1 422 1 22 ALA MB 1 26 GLN HE21 4.000 . 5.000 3.226 2.033 4.747 . 0 0 "[ . 1 . 2]" 1 423 1 22 ALA MB 1 26 GLN HE22 5.300 . 6.300 4.002 2.655 5.047 . 0 0 "[ . 1 . 2]" 1 424 1 22 ALA MB 1 26 GLN HG2 4.100 . 5.100 3.447 2.577 4.500 . 0 0 "[ . 1 . 2]" 1 425 1 22 ALA MB 1 26 GLN QG 3.300 . 4.300 2.674 2.249 3.341 . 0 0 "[ . 1 . 2]" 1 426 1 22 ALA MB 1 26 GLN HG3 4.100 . 5.100 3.003 2.299 4.451 . 0 0 "[ . 1 . 2]" 1 427 1 22 ALA MB 1 72 TRP HH2 5.500 . 6.500 4.634 3.267 5.761 . 0 0 "[ . 1 . 2]" 1 428 1 22 ALA MB 1 72 TRP HZ3 5.500 . 6.500 4.003 2.531 5.207 . 0 0 "[ . 1 . 2]" 1 429 1 23 GLY H 1 24 PRO QD 3.700 . 4.700 2.524 2.201 2.889 . 0 0 "[ . 1 . 2]" 1 430 1 23 GLY H 1 24 PRO QG 5.500 . 6.500 4.432 3.957 4.851 . 0 0 "[ . 1 . 2]" 1 431 1 23 GLY H 1 26 GLN H 5.500 . 5.500 4.691 4.569 4.840 . 0 0 "[ . 1 . 2]" 1 432 1 23 GLY QA 1 26 GLN HB2 5.300 . 6.300 3.108 2.477 3.813 . 0 0 "[ . 1 . 2]" 1 433 1 23 GLY QA 1 26 GLN QG 5.200 . 6.200 3.452 2.279 3.999 . 0 0 "[ . 1 . 2]" 1 434 1 24 PRO HA 1 27 ARG H 5.200 . 5.200 3.500 3.137 3.818 . 0 0 "[ . 1 . 2]" 1 435 1 24 PRO HA 1 58 TYR HE1 5.500 . 5.500 4.534 4.014 5.518 0.018 20 0 "[ . 1 . 2]" 1 436 1 24 PRO QB 1 25 LEU H 3.700 . 4.700 3.003 2.536 3.394 . 0 0 "[ . 1 . 2]" 1 437 1 24 PRO QB 1 58 TYR HE1 4.400 . 5.400 2.058 1.854 2.780 . 0 0 "[ . 1 . 2]" 1 438 1 24 PRO HB2 1 57 ILE MG 4.100 . 5.100 3.550 2.163 4.516 . 0 0 "[ . 1 . 2]" 1 439 1 24 PRO HB3 1 57 ILE MG 4.100 . 5.100 3.770 2.717 4.572 . 0 0 "[ . 1 . 2]" 1 440 1 24 PRO QD 1 25 LEU H 4.000 . 5.000 2.737 2.395 3.252 . 0 0 "[ . 1 . 2]" 1 441 1 24 PRO QG 1 58 TYR HE1 5.500 . 6.500 3.272 2.095 4.122 . 0 0 "[ . 1 . 2]" 1 442 1 25 LEU H 1 25 LEU HB2 3.300 . 3.300 2.597 2.321 2.797 . 0 0 "[ . 1 . 2]" 1 443 1 25 LEU H 1 25 LEU QB 2.900 . 3.900 2.229 2.170 2.291 . 0 0 "[ . 1 . 2]" 1 444 1 25 LEU H 1 25 LEU HB3 3.300 . 3.300 2.458 2.355 2.701 . 0 0 "[ . 1 . 2]" 1 445 1 25 LEU H 1 25 LEU MD1 5.000 . 6.000 4.204 4.138 4.272 . 0 0 "[ . 1 . 2]" 1 446 1 25 LEU H 1 25 LEU QD 4.300 . 5.300 3.767 3.718 3.818 . 0 0 "[ . 1 . 2]" 1 447 1 25 LEU H 1 25 LEU MD2 5.000 . 6.000 4.255 4.109 4.315 . 0 0 "[ . 1 . 2]" 1 448 1 25 LEU H 1 26 GLN H 3.500 . 3.500 2.516 2.382 2.685 . 0 0 "[ . 1 . 2]" 1 449 1 25 LEU H 1 27 ARG H 5.500 . 5.500 3.856 3.727 4.200 . 0 0 "[ . 1 . 2]" 1 450 1 25 LEU H 1 58 TYR HE1 4.500 . 4.500 4.067 3.516 4.366 . 0 0 "[ . 1 . 2]" 1 451 1 25 LEU HA 1 25 LEU QD 3.400 . 4.400 2.284 2.085 2.825 . 0 0 "[ . 1 . 2]" 1 452 1 25 LEU HA 1 25 LEU HG 4.300 . 4.300 3.255 2.544 3.905 . 0 0 "[ . 1 . 2]" 1 453 1 25 LEU HA 1 27 ARG H 5.500 . 5.500 4.162 3.796 4.403 . 0 0 "[ . 1 . 2]" 1 454 1 25 LEU HA 1 28 TYR H 5.200 . 5.200 3.274 3.003 3.721 . 0 0 "[ . 1 . 2]" 1 455 1 25 LEU HA 1 28 TYR QB 3.600 . 4.600 2.585 2.122 3.098 . 0 0 "[ . 1 . 2]" 1 456 1 25 LEU HA 1 29 ALA H 5.100 . 5.100 3.920 3.587 4.400 . 0 0 "[ . 1 . 2]" 1 457 1 25 LEU HA 1 54 LEU QD 3.600 . 4.600 3.650 2.494 4.375 . 0 0 "[ . 1 . 2]" 1 458 1 25 LEU HA 1 57 ILE MD 5.500 . 6.500 4.686 2.846 5.482 . 0 0 "[ . 1 . 2]" 1 459 1 25 LEU HA 1 58 TYR HE1 4.600 . 4.600 3.896 3.041 4.679 0.079 8 0 "[ . 1 . 2]" 1 460 1 25 LEU QB 1 54 LEU QD 4.300 . 5.300 3.770 3.280 4.402 . 0 0 "[ . 1 . 2]" 1 461 1 25 LEU HB2 1 26 GLN H 5.500 . 5.500 3.911 3.599 4.144 . 0 0 "[ . 1 . 2]" 1 462 1 25 LEU HB2 1 58 TYR HE1 5.500 . 5.500 4.152 3.649 4.425 . 0 0 "[ . 1 . 2]" 1 463 1 25 LEU HB2 1 72 TRP HH2 5.500 . 5.500 4.985 4.585 5.514 0.014 14 0 "[ . 1 . 2]" 1 464 1 25 LEU HB3 1 26 GLN H 5.500 . 5.500 2.690 2.382 3.040 . 0 0 "[ . 1 . 2]" 1 465 1 25 LEU HB3 1 58 TYR HE1 5.500 . 5.500 5.481 4.971 5.599 0.099 3 0 "[ . 1 . 2]" 1 466 1 25 LEU HB3 1 72 TRP HH2 5.500 . 5.500 5.376 4.680 5.538 0.038 8 0 "[ . 1 . 2]" 1 467 1 25 LEU QD 1 26 GLN H 5.400 . 6.400 3.835 3.407 4.124 . 0 0 "[ . 1 . 2]" 1 468 1 25 LEU QD 1 26 GLN HA 4.500 . 5.500 4.053 3.195 4.458 . 0 0 "[ . 1 . 2]" 1 469 1 25 LEU QD 1 28 TYR H 5.300 . 6.300 4.225 3.766 4.576 . 0 0 "[ . 1 . 2]" 1 470 1 25 LEU QD 1 28 TYR QB 4.000 . 5.000 2.689 2.074 3.266 . 0 0 "[ . 1 . 2]" 1 471 1 25 LEU QD 1 28 TYR QD 4.500 . 5.500 3.243 2.111 4.231 . 0 0 "[ . 1 . 2]" 1 472 1 25 LEU QD 1 28 TYR QE 5.400 . 6.400 4.596 3.495 5.580 . 0 0 "[ . 1 . 2]" 1 473 1 25 LEU QD 1 29 ALA H 4.300 . 5.300 3.391 2.872 3.656 . 0 0 "[ . 1 . 2]" 1 474 1 25 LEU QD 1 54 LEU QD 2.800 . 3.800 1.974 1.804 2.275 . 0 0 "[ . 1 . 2]" 1 475 1 25 LEU QD 1 58 TYR HE1 5.300 . 6.300 4.489 4.110 5.156 . 0 0 "[ . 1 . 2]" 1 476 1 25 LEU QD 1 69 LEU MD1 2.800 . 3.800 2.142 1.894 3.262 . 0 0 "[ . 1 . 2]" 1 477 1 25 LEU QD 1 72 TRP HE3 5.000 . 6.000 3.846 2.986 5.123 . 0 0 "[ . 1 . 2]" 1 478 1 25 LEU QD 1 72 TRP HH2 4.400 . 5.400 3.609 3.022 4.342 . 0 0 "[ . 1 . 2]" 1 479 1 25 LEU QD 1 72 TRP HZ2 5.400 . 6.400 5.464 4.928 6.211 . 0 0 "[ . 1 . 2]" 1 480 1 25 LEU QD 1 72 TRP HZ3 3.800 . 4.800 2.425 1.970 3.747 . 0 0 "[ . 1 . 2]" 1 481 1 25 LEU MD1 1 26 GLN HA 5.200 . 6.200 4.652 3.218 5.522 . 0 0 "[ . 1 . 2]" 1 482 1 25 LEU MD1 1 58 TYR HE2 5.300 . 6.300 3.086 2.136 4.709 . 0 0 "[ . 1 . 2]" 1 483 1 25 LEU MD1 1 72 TRP HH2 5.500 . 6.500 5.276 3.304 6.220 . 0 0 "[ . 1 . 2]" 1 484 1 25 LEU MD2 1 26 GLN HA 5.200 . 6.200 4.874 3.326 5.465 . 0 0 "[ . 1 . 2]" 1 485 1 25 LEU MD2 1 58 TYR HE2 5.300 . 6.300 3.637 2.305 5.785 . 0 0 "[ . 1 . 2]" 1 486 1 25 LEU MD2 1 72 TRP HH2 5.500 . 6.500 4.158 3.041 6.056 . 0 0 "[ . 1 . 2]" 1 487 1 25 LEU HG 1 26 GLN H 5.000 . 5.000 4.107 3.659 5.013 0.013 9 0 "[ . 1 . 2]" 1 488 1 25 LEU HG 1 54 LEU QD 3.800 . 4.800 3.752 1.832 4.606 . 0 0 "[ . 1 . 2]" 1 489 1 26 GLN H 1 26 GLN HB2 3.500 . 3.500 2.468 2.305 2.691 . 0 0 "[ . 1 . 2]" 1 490 1 26 GLN H 1 26 GLN HB3 4.000 . 4.000 3.608 3.559 3.656 . 0 0 "[ . 1 . 2]" 1 491 1 26 GLN H 1 26 GLN QG 3.200 . 4.200 2.348 2.119 2.656 . 0 0 "[ . 1 . 2]" 1 492 1 26 GLN H 1 27 ARG H 3.600 . 3.600 2.629 2.540 2.746 . 0 0 "[ . 1 . 2]" 1 493 1 26 GLN H 1 28 TYR H 5.500 . 5.500 4.239 4.072 4.468 . 0 0 "[ . 1 . 2]" 1 494 1 26 GLN H 1 29 ALA H 5.400 . 5.400 4.701 4.540 4.939 . 0 0 "[ . 1 . 2]" 1 495 1 26 GLN HA 1 29 ALA H 4.600 . 4.600 3.479 3.049 3.885 . 0 0 "[ . 1 . 2]" 1 496 1 26 GLN HA 1 29 ALA MB 3.500 . 4.500 2.501 1.925 3.099 . 0 0 "[ . 1 . 2]" 1 497 1 26 GLN HA 1 30 ALA H 4.700 . 4.700 3.953 3.578 4.501 . 0 0 "[ . 1 . 2]" 1 498 1 26 GLN HB2 1 27 ARG H 3.200 . 3.200 2.711 2.267 3.124 . 0 0 "[ . 1 . 2]" 1 499 1 26 GLN HB3 1 26 GLN HE22 5.000 . 5.000 4.444 3.813 4.788 . 0 0 "[ . 1 . 2]" 1 500 1 26 GLN HB3 1 27 ARG H 3.900 . 3.900 3.627 3.345 3.822 . 0 0 "[ . 1 . 2]" 1 501 1 26 GLN HB3 1 27 ARG HA 4.500 . 4.500 4.403 4.227 4.528 0.028 18 0 "[ . 1 . 2]" 1 502 1 27 ARG H 1 27 ARG QB 2.800 . 3.800 2.414 2.152 2.608 . 0 0 "[ . 1 . 2]" 1 503 1 27 ARG H 1 27 ARG QD 5.300 . 6.300 3.576 2.273 4.415 . 0 0 "[ . 1 . 2]" 1 504 1 27 ARG H 1 27 ARG HG2 4.500 . 4.500 3.217 2.121 4.109 . 0 0 "[ . 1 . 2]" 1 505 1 27 ARG H 1 27 ARG QG 3.800 . 4.800 2.532 1.971 3.607 . 0 0 "[ . 1 . 2]" 1 506 1 27 ARG H 1 27 ARG HG3 4.500 . 4.500 3.046 1.993 4.057 . 0 0 "[ . 1 . 2]" 1 507 1 27 ARG H 1 28 TYR H 3.600 . 3.600 2.660 2.509 2.785 . 0 0 "[ . 1 . 2]" 1 508 1 27 ARG H 1 28 TYR QB 5.300 . 6.300 4.337 4.136 4.553 . 0 0 "[ . 1 . 2]" 1 509 1 27 ARG H 1 29 ALA H 5.500 . 5.500 4.090 3.797 4.471 . 0 0 "[ . 1 . 2]" 1 510 1 27 ARG H 1 30 ALA MB 5.000 . 6.000 4.736 4.447 5.161 . 0 0 "[ . 1 . 2]" 1 511 1 27 ARG HA 1 27 ARG QD 4.600 . 5.600 3.286 2.019 4.228 . 0 0 "[ . 1 . 2]" 1 512 1 27 ARG HA 1 27 ARG HG2 3.800 . 3.800 2.950 2.447 3.703 . 0 0 "[ . 1 . 2]" 1 513 1 27 ARG HA 1 27 ARG QG 3.100 . 4.100 2.605 2.360 3.108 . 0 0 "[ . 1 . 2]" 1 514 1 27 ARG HA 1 27 ARG HG3 3.800 . 3.800 3.194 2.460 3.815 0.015 17 0 "[ . 1 . 2]" 1 515 1 27 ARG HA 1 29 ALA MB 5.500 . 6.500 4.887 4.574 5.306 . 0 0 "[ . 1 . 2]" 1 516 1 27 ARG HA 1 30 ALA H 3.900 . 3.900 3.514 3.096 3.756 . 0 0 "[ . 1 . 2]" 1 517 1 27 ARG HA 1 30 ALA MB 3.300 . 4.300 2.747 2.216 3.250 . 0 0 "[ . 1 . 2]" 1 518 1 27 ARG QB 1 27 ARG QD 3.100 . 4.100 2.421 2.108 2.865 . 0 0 "[ . 1 . 2]" 1 519 1 27 ARG QB 1 28 TYR H 2.900 . 3.900 2.366 2.056 2.747 . 0 0 "[ . 1 . 2]" 1 520 1 27 ARG HB2 1 28 TYR H 3.400 . 3.400 2.426 2.073 2.890 . 0 0 "[ . 1 . 2]" 1 521 1 27 ARG HB2 1 30 ALA H 5.500 . 5.500 5.512 5.368 5.559 0.059 6 0 "[ . 1 . 2]" 1 522 1 27 ARG HB3 1 28 TYR H 3.400 . 3.400 3.392 3.122 3.460 0.060 8 0 "[ . 1 . 2]" 1 523 1 27 ARG HB3 1 30 ALA H 5.500 . 5.500 5.391 5.159 5.534 0.034 16 0 "[ . 1 . 2]" 1 524 1 28 TYR H 1 28 TYR HB2 3.100 . 3.100 2.454 2.343 2.554 . 0 0 "[ . 1 . 2]" 1 525 1 28 TYR H 1 28 TYR QB 2.700 . 3.700 2.233 2.183 2.296 . 0 0 "[ . 1 . 2]" 1 526 1 28 TYR H 1 28 TYR HB3 3.100 . 3.100 2.581 2.437 2.818 . 0 0 "[ . 1 . 2]" 1 527 1 28 TYR H 1 28 TYR QD 5.200 . 5.200 4.180 3.894 4.278 . 0 0 "[ . 1 . 2]" 1 528 1 28 TYR H 1 29 ALA H 3.600 . 3.600 2.723 2.474 2.901 . 0 0 "[ . 1 . 2]" 1 529 1 28 TYR H 1 29 ALA MB 5.300 . 6.300 4.338 4.117 4.533 . 0 0 "[ . 1 . 2]" 1 530 1 28 TYR H 1 30 ALA H 5.500 . 5.500 4.200 3.962 4.391 . 0 0 "[ . 1 . 2]" 1 531 1 28 TYR H 1 54 LEU QD 5.300 . 6.300 5.210 4.327 5.971 . 0 0 "[ . 1 . 2]" 1 532 1 28 TYR H 1 57 ILE MD 5.100 . 6.100 5.210 3.951 5.994 . 0 0 "[ . 1 . 2]" 1 533 1 28 TYR H 1 57 ILE MG 5.500 . 6.500 5.756 5.099 6.331 . 0 0 "[ . 1 . 2]" 1 534 1 28 TYR HA 1 28 TYR QD 3.600 . 3.600 2.907 2.567 3.162 . 0 0 "[ . 1 . 2]" 1 535 1 28 TYR HA 1 29 ALA MB 5.500 . 6.500 5.018 4.922 5.050 . 0 0 "[ . 1 . 2]" 1 536 1 28 TYR HA 1 32 ILE MD 5.500 . 6.500 4.768 4.277 5.158 . 0 0 "[ . 1 . 2]" 1 537 1 28 TYR HA 1 54 LEU QD 5.400 . 6.400 5.159 4.523 5.841 . 0 0 "[ . 1 . 2]" 1 538 1 28 TYR HA 1 57 ILE MD 4.600 . 5.600 4.812 4.303 5.638 0.038 14 0 "[ . 1 . 2]" 1 539 1 28 TYR QB 1 29 ALA H 3.200 . 4.200 2.370 1.775 2.723 0.025 11 0 "[ . 1 . 2]" 1 540 1 28 TYR QB 1 29 ALA MB 5.300 . 6.300 3.758 3.423 4.008 . 0 0 "[ . 1 . 2]" 1 541 1 28 TYR QB 1 54 LEU QD 3.600 . 4.600 3.159 2.431 3.909 . 0 0 "[ . 1 . 2]" 1 542 1 28 TYR QB 1 57 ILE MD 4.400 . 5.400 3.244 2.452 3.844 . 0 0 "[ . 1 . 2]" 1 543 1 28 TYR HB2 1 29 ALA H 3.800 . 3.800 3.707 3.224 3.830 0.030 2 0 "[ . 1 . 2]" 1 544 1 28 TYR HB3 1 29 ALA H 3.800 . 3.800 2.399 1.784 2.787 0.016 11 0 "[ . 1 . 2]" 1 545 1 28 TYR QD 1 29 ALA H 4.300 . 4.300 3.404 2.547 4.122 . 0 0 "[ . 1 . 2]" 1 546 1 28 TYR QD 1 29 ALA MB 5.200 . 6.200 3.825 3.232 4.652 . 0 0 "[ . 1 . 2]" 1 547 1 28 TYR QD 1 32 ILE MD 5.300 . 6.300 3.508 2.163 4.227 . 0 0 "[ . 1 . 2]" 1 548 1 28 TYR QD 1 32 ILE QG 4.800 . 5.800 3.066 2.048 3.826 . 0 0 "[ . 1 . 2]" 1 549 1 28 TYR QD 1 32 ILE MG 5.500 . 6.500 4.974 4.455 5.520 . 0 0 "[ . 1 . 2]" 1 550 1 28 TYR QD 1 53 THR MG 4.500 . 5.500 4.426 3.420 5.278 . 0 0 "[ . 1 . 2]" 1 551 1 28 TYR QD 1 54 LEU MD1 5.000 . 6.000 3.402 2.355 4.453 . 0 0 "[ . 1 . 2]" 1 552 1 28 TYR QD 1 54 LEU QD 3.800 . 4.800 2.672 2.261 3.129 . 0 0 "[ . 1 . 2]" 1 553 1 28 TYR QD 1 54 LEU MD2 5.000 . 6.000 3.065 2.479 4.610 . 0 0 "[ . 1 . 2]" 1 554 1 28 TYR QD 1 54 LEU HG 5.500 . 5.500 4.132 2.793 4.922 . 0 0 "[ . 1 . 2]" 1 555 1 28 TYR QD 1 57 ILE MD 3.800 . 4.800 2.628 2.183 3.121 . 0 0 "[ . 1 . 2]" 1 556 1 28 TYR QE 1 32 ILE MD 3.800 . 4.800 2.818 1.907 3.670 . 0 0 "[ . 1 . 2]" 1 557 1 28 TYR QE 1 32 ILE QG 4.800 . 5.800 2.897 2.224 3.888 . 0 0 "[ . 1 . 2]" 1 558 1 28 TYR QE 1 32 ILE MG 5.200 . 6.200 4.409 3.445 5.039 . 0 0 "[ . 1 . 2]" 1 559 1 28 TYR QE 1 46 ILE MG 5.500 . 6.500 3.507 2.785 5.369 . 0 0 "[ . 1 . 2]" 1 560 1 28 TYR QE 1 50 ASP QB 4.600 . 5.600 3.564 2.023 5.635 0.035 1 0 "[ . 1 . 2]" 1 561 1 28 TYR QE 1 53 THR MG 3.600 . 4.600 2.903 2.186 3.874 . 0 0 "[ . 1 . 2]" 1 562 1 28 TYR QE 1 54 LEU MD1 5.000 . 6.000 3.016 2.002 4.243 . 0 0 "[ . 1 . 2]" 1 563 1 28 TYR QE 1 54 LEU QD 4.100 . 5.100 2.595 1.980 3.176 . 0 0 "[ . 1 . 2]" 1 564 1 28 TYR QE 1 54 LEU MD2 5.000 . 6.000 3.451 2.688 4.681 . 0 0 "[ . 1 . 2]" 1 565 1 28 TYR QE 1 57 ILE MD 4.500 . 5.500 2.868 2.218 4.282 . 0 0 "[ . 1 . 2]" 1 566 1 29 ALA H 1 29 ALA MB 3.200 . 4.200 2.230 2.189 2.311 . 0 0 "[ . 1 . 2]" 1 567 1 29 ALA H 1 30 ALA H 3.600 . 3.600 2.803 2.714 3.105 . 0 0 "[ . 1 . 2]" 1 568 1 29 ALA H 1 30 ALA MB 4.700 . 5.700 4.453 4.343 4.785 . 0 0 "[ . 1 . 2]" 1 569 1 29 ALA H 1 31 THR H 5.500 . 5.500 4.130 3.970 4.481 . 0 0 "[ . 1 . 2]" 1 570 1 29 ALA H 1 32 ILE HB 5.500 . 5.500 5.317 4.976 5.514 0.014 15 0 "[ . 1 . 2]" 1 571 1 29 ALA H 1 44 LEU MD2 5.500 . 6.500 4.565 3.898 5.666 . 0 0 "[ . 1 . 2]" 1 572 1 29 ALA H 1 54 LEU QD 5.000 . 6.000 4.768 4.091 5.333 . 0 0 "[ . 1 . 2]" 1 573 1 29 ALA HA 1 31 THR H 5.200 . 5.200 4.351 4.103 4.732 . 0 0 "[ . 1 . 2]" 1 574 1 29 ALA HA 1 32 ILE H 5.500 . 5.500 3.417 3.172 3.814 . 0 0 "[ . 1 . 2]" 1 575 1 29 ALA HA 1 32 ILE HB 4.500 . 4.500 2.825 2.539 3.002 . 0 0 "[ . 1 . 2]" 1 576 1 29 ALA HA 1 32 ILE MD 4.700 . 5.700 4.123 2.197 5.280 . 0 0 "[ . 1 . 2]" 1 577 1 29 ALA HA 1 32 ILE HG12 4.500 . 4.500 3.598 2.832 4.549 0.049 15 0 "[ . 1 . 2]" 1 578 1 29 ALA HA 1 32 ILE QG 3.800 . 4.800 3.025 2.655 3.771 . 0 0 "[ . 1 . 2]" 1 579 1 29 ALA HA 1 32 ILE HG13 4.500 . 4.500 3.442 2.704 4.293 . 0 0 "[ . 1 . 2]" 1 580 1 29 ALA HA 1 44 LEU MD2 3.600 . 4.600 2.513 2.039 3.526 . 0 0 "[ . 1 . 2]" 1 581 1 29 ALA MB 1 30 ALA H 3.500 . 4.500 2.446 2.320 2.598 . 0 0 "[ . 1 . 2]" 1 582 1 29 ALA MB 1 30 ALA HA 5.400 . 6.400 3.822 3.761 3.887 . 0 0 "[ . 1 . 2]" 1 583 1 29 ALA MB 1 31 THR H 5.500 . 6.500 4.426 4.293 4.627 . 0 0 "[ . 1 . 2]" 1 584 1 29 ALA MB 1 44 LEU MD2 3.100 . 4.100 2.424 2.008 3.380 . 0 0 "[ . 1 . 2]" 1 585 1 30 ALA H 1 30 ALA MB 3.000 . 4.000 2.237 2.213 2.267 . 0 0 "[ . 1 . 2]" 1 586 1 30 ALA H 1 31 THR H 3.300 . 3.300 2.643 2.494 2.728 . 0 0 "[ . 1 . 2]" 1 587 1 30 ALA H 1 32 ILE HB 5.500 . 5.500 5.292 5.035 5.438 . 0 0 "[ . 1 . 2]" 1 588 1 30 ALA H 1 32 ILE QG 5.300 . 6.300 5.148 4.937 5.625 . 0 0 "[ . 1 . 2]" 1 589 1 30 ALA H 1 44 LEU MD2 5.500 . 6.500 5.020 4.644 6.049 . 0 0 "[ . 1 . 2]" 1 590 1 30 ALA HA 1 33 GLN H 4.800 . 4.800 3.452 3.268 3.695 . 0 0 "[ . 1 . 2]" 1 591 1 30 ALA HA 1 33 GLN HB2 3.700 . 3.700 2.708 2.454 3.032 . 0 0 "[ . 1 . 2]" 1 592 1 30 ALA HA 1 33 GLN HB3 4.500 . 4.500 4.247 3.967 4.541 0.041 11 0 "[ . 1 . 2]" 1 593 1 30 ALA MB 1 31 THR H 3.500 . 4.500 2.574 2.448 2.699 . 0 0 "[ . 1 . 2]" 1 594 1 30 ALA MB 1 31 THR HB 5.500 . 6.500 4.693 4.556 4.810 . 0 0 "[ . 1 . 2]" 1 595 1 30 ALA MB 1 33 GLN H 4.900 . 5.900 4.644 4.512 4.818 . 0 0 "[ . 1 . 2]" 1 596 1 31 THR H 1 31 THR HB 3.100 . 3.100 2.548 2.447 2.616 . 0 0 "[ . 1 . 2]" 1 597 1 31 THR H 1 31 THR MG 4.000 . 5.000 3.748 3.707 3.775 . 0 0 "[ . 1 . 2]" 1 598 1 31 THR H 1 32 ILE HB 5.400 . 5.400 4.864 4.601 5.083 . 0 0 "[ . 1 . 2]" 1 599 1 31 THR H 1 32 ILE QG 4.300 . 5.300 4.225 3.882 4.433 . 0 0 "[ . 1 . 2]" 1 600 1 31 THR H 1 33 GLN H 5.500 . 5.500 4.127 3.915 4.293 . 0 0 "[ . 1 . 2]" 1 601 1 31 THR HA 1 31 THR MG 3.300 . 4.300 2.381 2.317 2.439 . 0 0 "[ . 1 . 2]" 1 602 1 31 THR HA 1 33 GLN H 4.800 . 4.800 4.523 4.331 4.732 . 0 0 "[ . 1 . 2]" 1 603 1 31 THR HB 1 32 ILE H 3.500 . 3.500 2.608 2.389 2.842 . 0 0 "[ . 1 . 2]" 1 604 1 31 THR HB 1 32 ILE HA 5.500 . 5.500 4.310 4.087 4.458 . 0 0 "[ . 1 . 2]" 1 605 1 31 THR HB 1 32 ILE MD 5.500 . 6.500 3.998 3.381 4.979 . 0 0 "[ . 1 . 2]" 1 606 1 31 THR HB 1 32 ILE MG 5.500 . 6.500 5.532 5.240 5.660 . 0 0 "[ . 1 . 2]" 1 607 1 31 THR MG 1 35 GLN H 5.500 . 6.500 4.204 3.839 5.349 . 0 0 "[ . 1 . 2]" 1 608 1 31 THR MG 1 35 GLN QE 3.900 . 4.900 2.830 1.989 4.916 0.016 9 0 "[ . 1 . 2]" 1 609 1 31 THR MG 1 35 GLN QG 5.300 . 6.300 2.883 2.150 5.117 . 0 0 "[ . 1 . 2]" 1 610 1 32 ILE H 1 32 ILE HB 3.000 . 3.000 2.547 2.348 2.640 . 0 0 "[ . 1 . 2]" 1 611 1 32 ILE H 1 32 ILE MD 3.900 . 4.900 3.322 3.065 3.652 . 0 0 "[ . 1 . 2]" 1 612 1 32 ILE H 1 32 ILE HG12 3.800 . 3.800 2.495 2.130 3.472 . 0 0 "[ . 1 . 2]" 1 613 1 32 ILE H 1 32 ILE QG 3.000 . 4.000 2.172 2.029 2.337 . 0 0 "[ . 1 . 2]" 1 614 1 32 ILE H 1 32 ILE HG13 3.800 . 3.800 3.291 2.049 3.766 . 0 0 "[ . 1 . 2]" 1 615 1 32 ILE H 1 32 ILE MG 3.800 . 4.800 3.793 3.721 3.818 . 0 0 "[ . 1 . 2]" 1 616 1 32 ILE H 1 33 GLN H 3.400 . 3.400 2.681 2.359 2.836 . 0 0 "[ . 1 . 2]" 1 617 1 32 ILE H 1 44 LEU MD1 5.500 . 6.500 5.285 4.395 6.449 . 0 0 "[ . 1 . 2]" 1 618 1 32 ILE H 1 44 LEU MD2 5.500 . 6.500 4.398 4.021 5.002 . 0 0 "[ . 1 . 2]" 1 619 1 32 ILE HA 1 32 ILE MD 3.400 . 4.400 2.507 1.975 3.878 . 0 0 "[ . 1 . 2]" 1 620 1 32 ILE HA 1 32 ILE QG 3.500 . 4.500 2.828 2.389 3.022 . 0 0 "[ . 1 . 2]" 1 621 1 32 ILE HA 1 32 ILE MG 3.300 . 4.300 2.459 2.370 2.561 . 0 0 "[ . 1 . 2]" 1 622 1 32 ILE HA 1 35 GLN H 4.000 . 4.000 3.448 3.144 3.789 . 0 0 "[ . 1 . 2]" 1 623 1 32 ILE HA 1 35 GLN QB 3.900 . 4.900 3.004 2.364 4.291 . 0 0 "[ . 1 . 2]" 1 624 1 32 ILE HA 1 36 ARG H 4.500 . 4.500 4.068 2.933 4.521 0.021 9 0 "[ . 1 . 2]" 1 625 1 32 ILE HB 1 33 GLN H 3.100 . 3.100 2.581 2.382 2.902 . 0 0 "[ . 1 . 2]" 1 626 1 32 ILE MD 1 32 ILE MG 3.300 . 4.300 2.009 1.889 2.086 . 0 0 "[ . 1 . 2]" 1 627 1 32 ILE MD 1 33 GLN H 5.400 . 6.400 4.616 4.416 4.743 . 0 0 "[ . 1 . 2]" 1 628 1 32 ILE QG 1 33 GLN H 4.200 . 5.200 4.001 3.861 4.227 . 0 0 "[ . 1 . 2]" 1 629 1 32 ILE MG 1 33 GLN H 4.400 . 5.400 3.392 3.201 3.692 . 0 0 "[ . 1 . 2]" 1 630 1 32 ILE MG 1 35 GLN H 5.500 . 6.500 4.667 4.197 4.959 . 0 0 "[ . 1 . 2]" 1 631 1 32 ILE MG 1 35 GLN QB 5.000 . 6.000 4.012 3.233 5.415 . 0 0 "[ . 1 . 2]" 1 632 1 32 ILE MG 1 36 ARG H 5.500 . 6.500 3.999 3.368 4.416 . 0 0 "[ . 1 . 2]" 1 633 1 32 ILE MG 1 36 ARG HD2 4.500 . 5.500 3.712 2.324 4.990 . 0 0 "[ . 1 . 2]" 1 634 1 32 ILE MG 1 36 ARG QD 3.800 . 4.800 3.000 1.971 3.912 . 0 0 "[ . 1 . 2]" 1 635 1 32 ILE MG 1 36 ARG HD3 4.500 . 5.500 3.446 2.012 4.732 . 0 0 "[ . 1 . 2]" 1 636 1 33 GLN H 1 33 GLN HB2 3.300 . 3.300 2.496 2.340 2.627 . 0 0 "[ . 1 . 2]" 1 637 1 33 GLN H 1 33 GLN HB3 3.700 . 3.700 3.608 3.571 3.657 . 0 0 "[ . 1 . 2]" 1 638 1 33 GLN H 1 33 GLN HG2 4.100 . 4.100 3.113 2.030 3.678 . 0 0 "[ . 1 . 2]" 1 639 1 33 GLN H 1 33 GLN QG 3.400 . 4.400 2.284 2.017 2.610 . 0 0 "[ . 1 . 2]" 1 640 1 33 GLN H 1 33 GLN HG3 4.100 . 4.100 2.720 2.116 3.905 . 0 0 "[ . 1 . 2]" 1 641 1 33 GLN H 1 34 SER H 3.700 . 3.700 2.793 2.652 2.931 . 0 0 "[ . 1 . 2]" 1 642 1 33 GLN H 1 34 SER QB 5.300 . 6.300 4.883 4.412 5.341 . 0 0 "[ . 1 . 2]" 1 643 1 33 GLN H 1 44 LEU MD1 5.500 . 6.500 4.008 3.122 5.073 . 0 0 "[ . 1 . 2]" 1 644 1 33 GLN HA 1 33 GLN QE 5.300 . 6.300 3.930 2.268 4.702 . 0 0 "[ . 1 . 2]" 1 645 1 33 GLN HA 1 33 GLN HG2 3.700 . 3.700 2.661 2.298 3.088 . 0 0 "[ . 1 . 2]" 1 646 1 33 GLN HA 1 33 GLN HG3 3.700 . 3.700 3.267 2.919 3.784 0.084 18 0 "[ . 1 . 2]" 1 647 1 33 GLN HA 1 36 ARG H 4.700 . 4.700 3.658 3.160 4.343 . 0 0 "[ . 1 . 2]" 1 648 1 33 GLN HA 1 44 LEU MD1 3.600 . 4.600 3.584 2.122 4.460 . 0 0 "[ . 1 . 2]" 1 649 1 33 GLN HB2 1 34 SER H 3.500 . 3.500 2.529 2.226 3.152 . 0 0 "[ . 1 . 2]" 1 650 1 33 GLN HB3 1 34 SER H 4.200 . 4.200 3.472 3.255 3.741 . 0 0 "[ . 1 . 2]" 1 651 1 33 GLN HB3 1 44 LEU MD1 5.000 . 6.000 4.808 3.662 6.012 0.012 2 0 "[ . 1 . 2]" 1 652 1 33 GLN QE 1 39 TYR H 5.300 . 6.300 4.964 2.527 6.408 0.108 11 0 "[ . 1 . 2]" 1 653 1 33 GLN QE 1 40 ASN H 5.300 . 6.300 3.453 2.214 4.885 . 0 0 "[ . 1 . 2]" 1 654 1 33 GLN QE 1 41 GLY H 5.300 . 6.300 3.555 2.535 4.579 . 0 0 "[ . 1 . 2]" 1 655 1 33 GLN QE 1 41 GLY QA 4.800 . 5.800 3.045 1.963 4.566 . 0 0 "[ . 1 . 2]" 1 656 1 33 GLN QE 1 44 LEU MD1 4.700 . 5.700 3.913 2.073 5.066 . 0 0 "[ . 1 . 2]" 1 657 1 33 GLN HE21 1 39 TYR HA 5.500 . 5.500 3.936 2.490 5.636 0.136 8 0 "[ . 1 . 2]" 1 658 1 33 GLN HE21 1 44 LEU MD1 5.500 . 6.500 4.309 2.089 5.652 . 0 0 "[ . 1 . 2]" 1 659 1 33 GLN HE22 1 39 TYR HA 5.500 . 5.500 4.303 2.016 5.531 0.031 1 0 "[ . 1 . 2]" 1 660 1 33 GLN HE22 1 44 LEU MD1 5.500 . 6.500 4.785 2.599 6.146 . 0 0 "[ . 1 . 2]" 1 661 1 33 GLN QG 1 34 SER H 4.900 . 5.900 4.074 3.833 4.549 . 0 0 "[ . 1 . 2]" 1 662 1 33 GLN QG 1 44 LEU MD1 3.800 . 4.800 2.773 1.974 4.202 . 0 0 "[ . 1 . 2]" 1 663 1 33 GLN QG 1 44 LEU MD2 4.700 . 5.700 3.156 2.247 4.423 . 0 0 "[ . 1 . 2]" 1 664 1 33 GLN HG2 1 44 LEU MD1 4.400 . 5.400 2.938 2.097 4.378 . 0 0 "[ . 1 . 2]" 1 665 1 33 GLN HG3 1 44 LEU MD1 4.400 . 5.400 3.501 2.406 5.414 0.014 6 0 "[ . 1 . 2]" 1 666 1 34 SER H 1 34 SER QB 3.100 . 4.100 2.501 2.191 2.798 . 0 0 "[ . 1 . 2]" 1 667 1 34 SER H 1 35 GLN H 3.300 . 3.300 2.684 2.573 2.882 . 0 0 "[ . 1 . 2]" 1 668 1 34 SER H 1 35 GLN QB 4.500 . 5.500 4.779 4.610 5.019 . 0 0 "[ . 1 . 2]" 1 669 1 34 SER H 1 36 ARG H 4.400 . 4.400 4.144 3.802 4.408 0.008 3 0 "[ . 1 . 2]" 1 670 1 34 SER QB 1 35 GLN H 3.700 . 4.700 2.953 2.495 3.532 . 0 0 "[ . 1 . 2]" 1 671 1 34 SER QB 1 35 GLN QB 4.800 . 5.800 4.607 3.813 5.237 . 0 0 "[ . 1 . 2]" 1 672 1 34 SER QB 1 36 ARG H 5.500 . 6.500 4.881 4.533 5.354 . 0 0 "[ . 1 . 2]" 1 673 1 35 GLN H 1 35 GLN QB 3.200 . 4.200 2.472 2.365 2.625 . 0 0 "[ . 1 . 2]" 1 674 1 35 GLN H 1 35 GLN HG2 4.000 . 4.000 2.838 1.980 3.741 . 0 0 "[ . 1 . 2]" 1 675 1 35 GLN H 1 35 GLN HG3 4.000 . 4.000 3.133 2.136 3.898 . 0 0 "[ . 1 . 2]" 1 676 1 35 GLN HA 1 35 GLN HG2 3.900 . 3.900 3.002 2.443 3.851 . 0 0 "[ . 1 . 2]" 1 677 1 35 GLN HA 1 35 GLN QG 3.100 . 4.100 2.810 2.323 3.369 . 0 0 "[ . 1 . 2]" 1 678 1 35 GLN HA 1 35 GLN HG3 3.900 . 3.900 3.446 2.909 3.795 . 0 0 "[ . 1 . 2]" 1 679 1 35 GLN HA 1 37 GLY H 5.500 . 5.500 4.026 3.562 5.041 . 0 0 "[ . 1 . 2]" 1 680 1 35 GLN QB 1 36 ARG H 3.500 . 4.500 2.905 2.283 3.735 . 0 0 "[ . 1 . 2]" 1 681 1 35 GLN QB 1 36 ARG HA 4.700 . 5.700 4.068 3.735 4.573 . 0 0 "[ . 1 . 2]" 1 682 1 35 GLN QG 1 36 ARG H 4.700 . 5.700 3.860 2.546 4.297 . 0 0 "[ . 1 . 2]" 1 683 1 35 GLN HG2 1 36 ARG H 5.500 . 5.500 4.402 2.944 5.181 . 0 0 "[ . 1 . 2]" 1 684 1 35 GLN HG3 1 36 ARG H 5.500 . 5.500 4.386 2.773 5.286 . 0 0 "[ . 1 . 2]" 1 685 1 36 ARG H 1 36 ARG HB2 4.100 . 4.100 2.545 2.129 3.709 . 0 0 "[ . 1 . 2]" 1 686 1 36 ARG H 1 36 ARG QB 3.300 . 4.300 2.412 2.097 2.821 . 0 0 "[ . 1 . 2]" 1 687 1 36 ARG H 1 36 ARG HB3 4.100 . 4.100 3.369 2.416 3.779 . 0 0 "[ . 1 . 2]" 1 688 1 36 ARG H 1 36 ARG HD2 5.500 . 5.500 4.460 2.324 5.652 0.152 4 0 "[ . 1 . 2]" 1 689 1 36 ARG H 1 36 ARG HD3 5.500 . 5.500 4.326 2.835 5.188 . 0 0 "[ . 1 . 2]" 1 690 1 36 ARG H 1 36 ARG HG2 4.500 . 4.500 3.518 2.074 4.508 0.008 6 0 "[ . 1 . 2]" 1 691 1 36 ARG H 1 36 ARG QG 4.000 . 5.000 2.938 2.044 4.001 . 0 0 "[ . 1 . 2]" 1 692 1 36 ARG H 1 36 ARG HG3 4.500 . 4.500 3.483 2.375 4.519 0.019 14 0 "[ . 1 . 2]" 1 693 1 36 ARG H 1 37 GLY H 3.300 . 3.300 2.385 2.084 2.569 . 0 0 "[ . 1 . 2]" 1 694 1 36 ARG H 1 37 GLY QA 5.300 . 6.300 4.318 4.084 4.467 . 0 0 "[ . 1 . 2]" 1 695 1 36 ARG H 1 38 ASP H 4.900 . 4.900 3.980 3.336 4.948 0.048 6 0 "[ . 1 . 2]" 1 696 1 36 ARG HA 1 36 ARG HD2 5.300 . 5.300 3.767 2.267 4.744 . 0 0 "[ . 1 . 2]" 1 697 1 36 ARG HA 1 36 ARG QD 4.600 . 5.600 3.302 1.972 4.428 . 0 0 "[ . 1 . 2]" 1 698 1 36 ARG HA 1 36 ARG HD3 5.300 . 5.300 3.929 1.986 5.439 0.139 17 0 "[ . 1 . 2]" 1 699 1 36 ARG HA 1 36 ARG QG 3.500 . 4.500 2.630 2.353 3.328 . 0 0 "[ . 1 . 2]" 1 700 1 36 ARG HA 1 38 ASP H 4.800 . 4.800 4.548 3.638 4.851 0.051 4 0 "[ . 1 . 2]" 1 701 1 36 ARG QB 1 36 ARG QD 3.100 . 4.100 2.305 2.097 2.628 . 0 0 "[ . 1 . 2]" 1 702 1 36 ARG QB 1 37 GLY H 4.100 . 5.100 3.071 2.740 3.743 . 0 0 "[ . 1 . 2]" 1 703 1 36 ARG QB 1 38 ASP H 4.200 . 5.200 3.109 2.414 4.238 . 0 0 "[ . 1 . 2]" 1 704 1 36 ARG HB2 1 38 ASP H 4.900 . 4.900 3.600 2.529 4.906 0.006 6 0 "[ . 1 . 2]" 1 705 1 36 ARG HB3 1 38 ASP H 4.900 . 4.900 3.801 2.530 4.991 0.091 3 0 "[ . 1 . 2]" 1 706 1 37 GLY H 1 38 ASP H 3.800 . 3.800 2.586 2.156 3.488 . 0 0 "[ . 1 . 2]" 1 707 1 38 ASP H 1 38 ASP HB2 3.700 . 3.700 3.060 2.539 3.819 0.119 8 0 "[ . 1 . 2]" 1 708 1 38 ASP H 1 38 ASP HB3 3.700 . 3.700 3.060 2.451 3.728 0.028 18 0 "[ . 1 . 2]" 1 709 1 38 ASP H 1 39 TYR H 4.500 . 4.500 4.095 2.997 4.504 0.004 14 0 "[ . 1 . 2]" 1 710 1 38 ASP H 1 39 TYR HA 5.500 . 5.500 4.948 4.283 5.514 0.014 1 0 "[ . 1 . 2]" 1 711 1 38 ASP HA 1 39 TYR H 3.100 . 3.100 2.283 1.983 3.306 0.206 9 0 "[ . 1 . 2]" 1 712 1 38 ASP QB 1 39 TYR H 4.300 . 5.300 3.450 2.311 3.987 . 0 0 "[ . 1 . 2]" 1 713 1 38 ASP HB2 1 39 TYR H 5.000 . 5.000 4.037 2.375 4.569 . 0 0 "[ . 1 . 2]" 1 714 1 38 ASP HB3 1 39 TYR H 5.000 . 5.000 3.859 2.339 4.434 . 0 0 "[ . 1 . 2]" 1 715 1 39 TYR H 1 39 TYR HB2 3.800 . 3.800 3.044 2.438 3.865 0.065 20 0 "[ . 1 . 2]" 1 716 1 39 TYR H 1 39 TYR QB 3.200 . 4.200 2.676 2.260 3.295 . 0 0 "[ . 1 . 2]" 1 717 1 39 TYR H 1 39 TYR HB3 3.800 . 3.800 3.192 2.436 3.910 0.110 3 0 "[ . 1 . 2]" 1 718 1 39 TYR H 1 39 TYR HD2 4.900 . 4.900 4.109 2.347 5.137 0.237 17 0 "[ . 1 . 2]" 1 719 1 39 TYR H 1 39 TYR QE 5.500 . 6.500 5.267 4.075 6.424 . 0 0 "[ . 1 . 2]" 1 720 1 39 TYR H 1 40 ASN H 4.500 . 4.500 3.304 1.925 4.488 . 0 0 "[ . 1 . 2]" 1 721 1 39 TYR HA 1 39 TYR HD1 4.500 . 4.500 3.361 2.379 4.305 . 0 0 "[ . 1 . 2]" 1 722 1 39 TYR HA 1 39 TYR HD2 4.200 . 4.200 3.983 3.113 4.511 0.311 7 0 "[ . 1 . 2]" 1 723 1 39 TYR HA 1 39 TYR QE 5.500 . 6.500 4.851 4.427 5.708 . 0 0 "[ . 1 . 2]" 1 724 1 39 TYR HA 1 40 ASN H 3.200 . 3.200 2.608 2.114 3.235 0.035 9 0 "[ . 1 . 2]" 1 725 1 39 TYR HD2 1 40 ASN H 5.500 . 5.500 4.935 2.095 5.958 0.458 6 0 "[ . 1 . 2]" 1 726 1 40 ASN H 1 40 ASN HB2 3.800 . 3.800 2.845 2.394 3.639 . 0 0 "[ . 1 . 2]" 1 727 1 40 ASN H 1 40 ASN QB 3.400 . 4.400 2.465 2.180 3.082 . 0 0 "[ . 1 . 2]" 1 728 1 40 ASN H 1 40 ASN HB3 3.800 . 3.800 2.890 2.265 3.689 . 0 0 "[ . 1 . 2]" 1 729 1 40 ASN H 1 40 ASN QD 5.300 . 6.300 4.369 2.648 5.356 . 0 0 "[ . 1 . 2]" 1 730 1 40 ASN H 1 41 GLY H 4.100 . 4.100 3.244 2.119 4.254 0.154 16 0 "[ . 1 . 2]" 1 731 1 40 ASN QB 1 41 GLY H 4.300 . 5.300 3.299 2.154 3.985 . 0 0 "[ . 1 . 2]" 1 732 1 40 ASN HB2 1 41 GLY H 5.000 . 5.000 3.918 2.193 4.555 . 0 0 "[ . 1 . 2]" 1 733 1 40 ASN HB3 1 41 GLY H 5.000 . 5.000 3.737 2.321 4.499 . 0 0 "[ . 1 . 2]" 1 734 1 40 ASN QD 1 42 LYS QB 5.200 . 6.200 4.183 2.603 6.086 . 0 0 "[ . 1 . 2]" 1 735 1 40 ASN QD 1 43 VAL H 5.000 . 6.000 3.831 2.035 5.361 . 0 0 "[ . 1 . 2]" 1 736 1 40 ASN QD 1 43 VAL MG2 4.200 . 5.200 3.119 2.015 5.159 . 0 0 "[ . 1 . 2]" 1 737 1 41 GLY H 1 42 LYS H 3.800 . 3.800 2.922 1.829 3.872 0.072 6 0 "[ . 1 . 2]" 1 738 1 41 GLY H 1 43 VAL H 5.500 . 5.500 4.533 3.526 5.425 . 0 0 "[ . 1 . 2]" 1 739 1 42 LYS H 1 42 LYS HB2 3.700 . 3.700 2.559 2.326 2.778 . 0 0 "[ . 1 . 2]" 1 740 1 42 LYS H 1 42 LYS QB 3.100 . 4.100 2.411 2.240 2.561 . 0 0 "[ . 1 . 2]" 1 741 1 42 LYS H 1 42 LYS HB3 3.700 . 3.700 3.300 2.425 3.703 0.003 13 0 "[ . 1 . 2]" 1 742 1 42 LYS H 1 42 LYS QD 4.500 . 5.500 3.888 2.371 4.760 . 0 0 "[ . 1 . 2]" 1 743 1 42 LYS H 1 42 LYS HG2 4.700 . 4.700 3.722 2.216 4.702 0.002 19 0 "[ . 1 . 2]" 1 744 1 42 LYS H 1 42 LYS QG 4.100 . 5.100 3.081 2.198 4.090 . 0 0 "[ . 1 . 2]" 1 745 1 42 LYS H 1 42 LYS HG3 4.700 . 4.700 3.629 2.357 4.570 . 0 0 "[ . 1 . 2]" 1 746 1 42 LYS H 1 43 VAL H 3.100 . 3.100 2.368 2.102 2.653 . 0 0 "[ . 1 . 2]" 1 747 1 42 LYS H 1 43 VAL MG2 4.500 . 5.500 4.045 3.528 4.391 . 0 0 "[ . 1 . 2]" 1 748 1 42 LYS HA 1 42 LYS QD 4.300 . 5.300 3.196 2.008 4.302 . 0 0 "[ . 1 . 2]" 1 749 1 42 LYS HA 1 42 LYS HG2 4.100 . 4.100 3.103 2.401 3.814 . 0 0 "[ . 1 . 2]" 1 750 1 42 LYS HA 1 42 LYS QG 3.600 . 4.600 2.683 2.275 3.144 . 0 0 "[ . 1 . 2]" 1 751 1 42 LYS HA 1 42 LYS HG3 4.100 . 4.100 3.129 2.503 3.853 . 0 0 "[ . 1 . 2]" 1 752 1 42 LYS HA 1 43 VAL MG1 5.200 . 6.200 4.168 3.992 4.399 . 0 0 "[ . 1 . 2]" 1 753 1 42 LYS HA 1 43 VAL MG2 5.000 . 6.000 4.878 4.703 5.018 . 0 0 "[ . 1 . 2]" 1 754 1 42 LYS QB 1 43 VAL H 3.300 . 4.300 2.371 2.028 2.829 . 0 0 "[ . 1 . 2]" 1 755 1 42 LYS QB 1 43 VAL MG1 4.500 . 5.500 2.876 2.479 3.549 . 0 0 "[ . 1 . 2]" 1 756 1 42 LYS QB 1 43 VAL MG2 3.600 . 4.600 2.858 2.599 3.168 . 0 0 "[ . 1 . 2]" 1 757 1 42 LYS HB2 1 43 VAL H 4.000 . 4.000 2.823 2.048 3.955 . 0 0 "[ . 1 . 2]" 1 758 1 42 LYS HB3 1 43 VAL H 4.000 . 4.000 3.134 2.057 3.953 . 0 0 "[ . 1 . 2]" 1 759 1 42 LYS QD 1 43 VAL H 5.500 . 6.500 4.554 3.852 5.146 . 0 0 "[ . 1 . 2]" 1 760 1 42 LYS QE 1 43 VAL MG2 5.500 . 6.500 5.171 2.747 6.522 0.022 6 0 "[ . 1 . 2]" 1 761 1 42 LYS QG 1 43 VAL H 4.800 . 5.800 3.808 3.134 4.381 . 0 0 "[ . 1 . 2]" 1 762 1 42 LYS HG2 1 43 VAL H 5.500 . 5.500 4.404 3.552 5.032 . 0 0 "[ . 1 . 2]" 1 763 1 42 LYS HG3 1 43 VAL H 5.500 . 5.500 4.358 3.264 4.980 . 0 0 "[ . 1 . 2]" 1 764 1 43 VAL H 1 43 VAL MG1 3.400 . 4.400 3.102 2.981 3.302 . 0 0 "[ . 1 . 2]" 1 765 1 43 VAL H 1 43 VAL MG2 3.100 . 4.100 2.285 2.156 2.406 . 0 0 "[ . 1 . 2]" 1 766 1 43 VAL H 1 44 LEU H 5.500 . 5.500 4.300 4.154 4.423 . 0 0 "[ . 1 . 2]" 1 767 1 43 VAL H 1 44 LEU HB2 5.500 . 5.500 5.216 4.850 5.507 0.007 1 0 "[ . 1 . 2]" 1 768 1 43 VAL H 1 44 LEU MD1 5.500 . 6.500 5.693 5.272 6.206 . 0 0 "[ . 1 . 2]" 1 769 1 43 VAL HA 1 43 VAL MG1 3.500 . 4.500 2.371 2.306 2.422 . 0 0 "[ . 1 . 2]" 1 770 1 43 VAL HA 1 44 LEU H 3.200 . 3.200 2.265 2.087 2.488 . 0 0 "[ . 1 . 2]" 1 771 1 43 VAL HB 1 44 LEU H 3.500 . 3.500 2.691 2.218 3.245 . 0 0 "[ . 1 . 2]" 1 772 1 43 VAL HB 1 44 LEU HA 5.500 . 5.500 4.433 4.129 4.797 . 0 0 "[ . 1 . 2]" 1 773 1 43 VAL MG1 1 44 LEU H 4.100 . 5.100 3.710 3.589 3.885 . 0 0 "[ . 1 . 2]" 1 774 1 43 VAL MG2 1 44 LEU H 4.700 . 5.700 3.662 3.224 4.058 . 0 0 "[ . 1 . 2]" 1 775 1 44 LEU H 1 44 LEU HB3 3.500 . 3.500 2.620 2.455 2.880 . 0 0 "[ . 1 . 2]" 1 776 1 44 LEU H 1 44 LEU MD1 5.000 . 6.000 4.351 4.207 4.413 . 0 0 "[ . 1 . 2]" 1 777 1 44 LEU H 1 44 LEU MD2 4.900 . 5.900 4.483 4.297 4.676 . 0 0 "[ . 1 . 2]" 1 778 1 44 LEU H 1 45 SER H 5.000 . 5.000 4.244 3.999 4.474 . 0 0 "[ . 1 . 2]" 1 779 1 44 LEU HA 1 44 LEU MD1 3.100 . 4.100 2.142 2.058 2.224 . 0 0 "[ . 1 . 2]" 1 780 1 44 LEU HA 1 44 LEU MD2 4.100 . 5.100 3.904 3.875 3.933 . 0 0 "[ . 1 . 2]" 1 781 1 44 LEU HA 1 45 SER H 3.000 . 3.000 2.197 2.083 2.400 . 0 0 "[ . 1 . 2]" 1 782 1 44 LEU HB2 1 44 LEU MD2 3.400 . 4.400 2.400 2.349 2.461 . 0 0 "[ . 1 . 2]" 1 783 1 44 LEU HB2 1 45 SER H 4.700 . 4.700 4.263 4.041 4.432 . 0 0 "[ . 1 . 2]" 1 784 1 44 LEU HB3 1 44 LEU MD2 3.300 . 4.300 2.299 2.259 2.332 . 0 0 "[ . 1 . 2]" 1 785 1 44 LEU HB3 1 45 SER H 4.900 . 4.900 4.176 3.790 4.401 . 0 0 "[ . 1 . 2]" 1 786 1 44 LEU MD1 1 45 SER H 3.800 . 4.800 2.539 2.100 2.966 . 0 0 "[ . 1 . 2]" 1 787 1 44 LEU HG 1 45 SER H 4.600 . 4.600 3.154 2.362 3.735 . 0 0 "[ . 1 . 2]" 1 788 1 44 LEU HG 1 46 ILE H 5.500 . 5.500 4.239 3.718 4.688 . 0 0 "[ . 1 . 2]" 1 789 1 44 LEU HG 1 46 ILE MG 3.400 . 4.400 2.232 1.932 2.831 . 0 0 "[ . 1 . 2]" 1 790 1 45 SER H 1 45 SER QB 3.400 . 4.400 2.537 2.281 2.933 . 0 0 "[ . 1 . 2]" 1 791 1 45 SER H 1 46 ILE H 5.500 . 5.500 4.262 3.943 4.461 . 0 0 "[ . 1 . 2]" 1 792 1 45 SER H 1 46 ILE MG 5.500 . 6.500 4.124 3.622 4.476 . 0 0 "[ . 1 . 2]" 1 793 1 45 SER HA 1 46 ILE H 3.100 . 3.100 2.128 2.028 2.191 . 0 0 "[ . 1 . 2]" 1 794 1 45 SER HA 1 46 ILE MG 5.500 . 6.500 3.938 3.692 4.293 . 0 0 "[ . 1 . 2]" 1 795 1 45 SER QB 1 46 ILE H 4.000 . 5.000 3.576 3.210 3.931 . 0 0 "[ . 1 . 2]" 1 796 1 46 ILE H 1 46 ILE MD 4.100 . 5.100 3.484 1.783 4.009 0.017 10 0 "[ . 1 . 2]" 1 797 1 46 ILE H 1 46 ILE HG12 4.500 . 4.500 2.571 2.064 3.988 . 0 0 "[ . 1 . 2]" 1 798 1 46 ILE H 1 46 ILE QG 3.700 . 4.700 2.276 2.027 3.194 . 0 0 "[ . 1 . 2]" 1 799 1 46 ILE H 1 46 ILE HG13 4.500 . 4.500 3.009 2.158 4.111 . 0 0 "[ . 1 . 2]" 1 800 1 46 ILE H 1 46 ILE MG 3.800 . 4.800 2.927 2.663 3.417 . 0 0 "[ . 1 . 2]" 1 801 1 46 ILE H 1 47 ARG H 5.500 . 5.500 4.421 4.333 4.516 . 0 0 "[ . 1 . 2]" 1 802 1 46 ILE H 1 47 ARG QG 5.500 . 6.500 5.561 4.801 6.325 . 0 0 "[ . 1 . 2]" 1 803 1 46 ILE HA 1 46 ILE MD 4.200 . 5.200 4.089 3.671 4.232 . 0 0 "[ . 1 . 2]" 1 804 1 46 ILE HA 1 46 ILE MG 3.300 . 4.300 2.352 2.257 2.451 . 0 0 "[ . 1 . 2]" 1 805 1 46 ILE HA 1 47 ARG H 3.200 . 3.200 2.506 2.387 2.602 . 0 0 "[ . 1 . 2]" 1 806 1 46 ILE HB 1 47 ARG H 3.300 . 3.300 2.170 1.843 2.452 . 0 0 "[ . 1 . 2]" 1 807 1 46 ILE HB 1 50 ASP HB2 4.300 . 4.300 2.471 1.917 4.132 . 0 0 "[ . 1 . 2]" 1 808 1 46 ILE HB 1 50 ASP QB 3.500 . 4.500 2.103 1.815 2.630 . 0 0 "[ . 1 . 2]" 1 809 1 46 ILE HB 1 50 ASP HB3 4.300 . 4.300 2.718 2.052 3.767 . 0 0 "[ . 1 . 2]" 1 810 1 46 ILE MD 1 46 ILE MG 2.600 . 3.600 2.157 1.920 3.249 . 0 0 "[ . 1 . 2]" 1 811 1 46 ILE MD 1 47 ARG H 4.600 . 5.600 3.950 3.157 4.371 . 0 0 "[ . 1 . 2]" 1 812 1 46 ILE MD 1 50 ASP H 4.900 . 5.900 4.727 4.049 5.689 . 0 0 "[ . 1 . 2]" 1 813 1 46 ILE MD 1 50 ASP HB2 4.300 . 5.300 3.345 2.256 5.310 0.010 6 0 "[ . 1 . 2]" 1 814 1 46 ILE MD 1 50 ASP QB 3.700 . 4.700 2.805 2.060 3.773 . 0 0 "[ . 1 . 2]" 1 815 1 46 ILE MD 1 50 ASP HB3 4.300 . 5.300 3.275 2.319 4.572 . 0 0 "[ . 1 . 2]" 1 816 1 46 ILE MD 1 51 LEU H 3.900 . 4.900 3.354 2.624 4.629 . 0 0 "[ . 1 . 2]" 1 817 1 46 ILE MD 1 51 LEU HA 3.300 . 4.300 3.130 2.216 4.310 0.010 9 0 "[ . 1 . 2]" 1 818 1 46 ILE MD 1 51 LEU HB2 3.500 . 4.500 2.925 2.037 3.764 . 0 0 "[ . 1 . 2]" 1 819 1 46 ILE MD 1 51 LEU HB3 4.200 . 5.200 4.294 3.381 5.230 0.030 10 0 "[ . 1 . 2]" 1 820 1 46 ILE MD 1 52 ARG H 5.500 . 6.500 5.356 4.641 6.506 0.006 10 0 "[ . 1 . 2]" 1 821 1 46 ILE QG 1 47 ARG H 5.300 . 6.300 3.426 2.973 4.102 . 0 0 "[ . 1 . 2]" 1 822 1 46 ILE MG 1 47 ARG H 3.900 . 4.900 3.539 3.084 3.704 . 0 0 "[ . 1 . 2]" 1 823 1 46 ILE MG 1 50 ASP H 5.500 . 6.500 5.543 5.118 6.166 . 0 0 "[ . 1 . 2]" 1 824 1 46 ILE MG 1 50 ASP HB2 4.100 . 5.100 3.744 3.023 5.111 0.011 6 0 "[ . 1 . 2]" 1 825 1 46 ILE MG 1 50 ASP QB 3.400 . 4.400 3.129 2.682 3.939 . 0 0 "[ . 1 . 2]" 1 826 1 46 ILE MG 1 50 ASP HB3 4.100 . 5.100 3.384 2.947 4.097 . 0 0 "[ . 1 . 2]" 1 827 1 47 ARG H 1 47 ARG QG 3.400 . 4.400 2.804 2.232 3.890 . 0 0 "[ . 1 . 2]" 1 828 1 47 ARG H 1 50 ASP H 4.500 . 4.500 3.452 3.230 4.023 . 0 0 "[ . 1 . 2]" 1 829 1 47 ARG H 1 50 ASP HB2 4.600 . 4.600 2.610 2.158 3.156 . 0 0 "[ . 1 . 2]" 1 830 1 47 ARG H 1 50 ASP QB 3.700 . 4.700 2.448 1.869 2.949 . 0 0 "[ . 1 . 2]" 1 831 1 47 ARG H 1 50 ASP HB3 4.600 . 4.600 3.519 1.892 4.610 0.010 9 0 "[ . 1 . 2]" 1 832 1 47 ARG HA 1 47 ARG QD 2.800 . 3.800 3.336 2.041 4.011 0.211 12 0 "[ . 1 . 2]" 1 833 1 47 ARG HA 1 47 ARG QG 3.200 . 4.200 2.563 2.295 3.072 . 0 0 "[ . 1 . 2]" 1 834 1 47 ARG HA 1 48 GLN HA 4.700 . 4.700 4.319 4.135 4.410 . 0 0 "[ . 1 . 2]" 1 835 1 47 ARG HA 1 48 GLN QB 4.800 . 5.800 4.610 4.351 4.834 . 0 0 "[ . 1 . 2]" 1 836 1 47 ARG HA 1 48 GLN QE 4.100 . 5.100 4.450 2.905 5.174 0.074 2 0 "[ . 1 . 2]" 1 837 1 47 ARG HA 1 48 GLN QG 4.500 . 5.500 4.342 3.598 5.363 . 0 0 "[ . 1 . 2]" 1 838 1 47 ARG HA 1 50 ASP H 4.800 . 4.800 4.473 4.210 4.714 . 0 0 "[ . 1 . 2]" 1 839 1 47 ARG HA 1 51 LEU H 5.500 . 5.500 5.288 4.946 5.573 0.073 9 0 "[ . 1 . 2]" 1 840 1 47 ARG QB 1 47 ARG QD 3.200 . 4.200 2.281 1.985 2.891 . 0 0 "[ . 1 . 2]" 1 841 1 47 ARG QB 1 49 ASP H 4.400 . 5.400 2.493 1.966 2.997 . 0 0 "[ . 1 . 2]" 1 842 1 47 ARG QB 1 50 ASP H 3.400 . 4.400 2.583 2.068 3.261 . 0 0 "[ . 1 . 2]" 1 843 1 47 ARG HB2 1 50 ASP H 4.000 . 4.000 2.665 2.087 3.680 . 0 0 "[ . 1 . 2]" 1 844 1 47 ARG HB3 1 50 ASP H 4.000 . 4.000 3.618 3.000 4.034 0.034 18 0 "[ . 1 . 2]" 1 845 1 47 ARG QG 1 50 ASP H 5.000 . 6.000 4.560 4.014 5.213 . 0 0 "[ . 1 . 2]" 1 846 1 48 GLN HA 1 48 GLN QG 3.400 . 4.400 3.021 2.442 3.584 . 0 0 "[ . 1 . 2]" 1 847 1 48 GLN HA 1 50 ASP H 4.800 . 4.800 4.064 3.855 4.183 . 0 0 "[ . 1 . 2]" 1 848 1 48 GLN HA 1 51 LEU H 5.000 . 5.000 3.395 2.913 4.145 . 0 0 "[ . 1 . 2]" 1 849 1 48 GLN HA 1 51 LEU HB2 4.900 . 4.900 3.286 2.514 4.314 . 0 0 "[ . 1 . 2]" 1 850 1 48 GLN QB 1 49 ASP H 4.200 . 5.200 3.037 2.237 3.714 . 0 0 "[ . 1 . 2]" 1 851 1 48 GLN QE 1 82 ALA MB 4.800 . 5.800 3.318 2.190 4.439 . 0 0 "[ . 1 . 2]" 1 852 1 48 GLN HE21 1 82 ALA MB 5.500 . 6.500 3.688 2.209 5.238 . 0 0 "[ . 1 . 2]" 1 853 1 48 GLN HE22 1 82 ALA MB 5.500 . 6.500 4.037 2.412 5.925 . 0 0 "[ . 1 . 2]" 1 854 1 48 GLN QG 1 49 ASP H 4.800 . 5.800 3.264 1.978 4.466 . 0 0 "[ . 1 . 2]" 1 855 1 49 ASP H 1 50 ASP H 4.000 . 4.000 2.561 2.382 2.709 . 0 0 "[ . 1 . 2]" 1 856 1 49 ASP HA 1 52 ARG H 3.900 . 3.900 3.455 3.051 3.789 . 0 0 "[ . 1 . 2]" 1 857 1 49 ASP HA 1 52 ARG HA 5.500 . 5.500 5.354 4.719 5.602 0.102 1 0 "[ . 1 . 2]" 1 858 1 49 ASP HA 1 52 ARG QB 3.100 . 4.100 2.880 2.010 4.006 . 0 0 "[ . 1 . 2]" 1 859 1 49 ASP HA 1 52 ARG QD 5.300 . 6.300 3.145 2.042 5.360 . 0 0 "[ . 1 . 2]" 1 860 1 49 ASP QB 1 50 ASP H 3.800 . 4.800 2.930 2.508 3.626 . 0 0 "[ . 1 . 2]" 1 861 1 49 ASP QB 1 52 ARG QB 5.000 . 6.000 4.297 3.650 5.523 . 0 0 "[ . 1 . 2]" 1 862 1 49 ASP HB2 1 50 ASP H 4.400 . 4.400 3.555 2.643 4.136 . 0 0 "[ . 1 . 2]" 1 863 1 49 ASP HB3 1 50 ASP H 4.400 . 4.400 3.453 2.543 4.139 . 0 0 "[ . 1 . 2]" 1 864 1 50 ASP H 1 50 ASP HB2 4.100 . 4.100 2.491 2.270 2.586 . 0 0 "[ . 1 . 2]" 1 865 1 50 ASP H 1 50 ASP QB 3.300 . 4.300 2.408 2.197 2.533 . 0 0 "[ . 1 . 2]" 1 866 1 50 ASP H 1 50 ASP HB3 4.100 . 4.100 3.405 2.552 3.674 . 0 0 "[ . 1 . 2]" 1 867 1 50 ASP H 1 51 LEU HB2 5.200 . 5.200 4.690 4.293 4.902 . 0 0 "[ . 1 . 2]" 1 868 1 50 ASP H 1 51 LEU HB3 5.500 . 5.500 4.619 4.299 4.883 . 0 0 "[ . 1 . 2]" 1 869 1 50 ASP HA 1 52 ARG QB 4.900 . 5.900 4.788 4.236 6.053 0.153 7 0 "[ . 1 . 2]" 1 870 1 50 ASP HA 1 53 THR H 4.300 . 4.300 3.365 2.930 3.685 . 0 0 "[ . 1 . 2]" 1 871 1 50 ASP HA 1 53 THR HB 4.300 . 4.300 3.128 2.459 4.348 0.048 1 0 "[ . 1 . 2]" 1 872 1 50 ASP HA 1 53 THR MG 5.000 . 6.000 4.214 3.660 5.000 . 0 0 "[ . 1 . 2]" 1 873 1 50 ASP QB 1 51 LEU H 3.800 . 4.800 2.506 2.191 2.920 . 0 0 "[ . 1 . 2]" 1 874 1 50 ASP HB2 1 51 LEU H 4.400 . 4.400 2.830 2.226 4.032 . 0 0 "[ . 1 . 2]" 1 875 1 50 ASP HB3 1 51 LEU H 4.400 . 4.400 3.322 2.441 3.742 . 0 0 "[ . 1 . 2]" 1 876 1 51 LEU H 1 51 LEU HB2 3.100 . 3.100 2.419 2.257 2.565 . 0 0 "[ . 1 . 2]" 1 877 1 51 LEU H 1 51 LEU HB3 3.300 . 3.300 2.569 2.406 2.663 . 0 0 "[ . 1 . 2]" 1 878 1 51 LEU H 1 51 LEU MD1 4.400 . 5.400 4.085 3.933 4.317 . 0 0 "[ . 1 . 2]" 1 879 1 51 LEU H 1 51 LEU QD 3.900 . 4.900 3.690 3.613 3.789 . 0 0 "[ . 1 . 2]" 1 880 1 51 LEU H 1 51 LEU MD2 4.400 . 5.400 4.218 3.939 4.323 . 0 0 "[ . 1 . 2]" 1 881 1 51 LEU H 1 51 LEU HG 4.700 . 4.700 4.513 4.435 4.572 . 0 0 "[ . 1 . 2]" 1 882 1 51 LEU H 1 52 ARG H 3.500 . 3.500 2.689 2.536 2.879 . 0 0 "[ . 1 . 2]" 1 883 1 51 LEU H 1 53 THR H 4.900 . 4.900 4.124 3.979 4.420 . 0 0 "[ . 1 . 2]" 1 884 1 51 LEU HA 1 51 LEU MD1 3.900 . 4.900 2.481 2.050 3.753 . 0 0 "[ . 1 . 2]" 1 885 1 51 LEU HA 1 51 LEU QD 3.200 . 4.200 2.277 2.043 3.113 . 0 0 "[ . 1 . 2]" 1 886 1 51 LEU HA 1 51 LEU MD2 3.900 . 4.900 3.640 2.156 3.942 . 0 0 "[ . 1 . 2]" 1 887 1 51 LEU HA 1 54 LEU H 3.900 . 3.900 3.414 2.914 3.715 . 0 0 "[ . 1 . 2]" 1 888 1 51 LEU HB2 1 51 LEU MD1 3.300 . 4.300 2.398 2.203 3.235 . 0 0 "[ . 1 . 2]" 1 889 1 51 LEU HB2 1 51 LEU QD 2.900 . 3.900 2.154 2.094 2.413 . 0 0 "[ . 1 . 2]" 1 890 1 51 LEU HB2 1 51 LEU MD2 3.300 . 4.300 2.563 2.348 3.199 . 0 0 "[ . 1 . 2]" 1 891 1 51 LEU HB2 1 52 ARG H 4.300 . 4.300 3.827 3.648 4.014 . 0 0 "[ . 1 . 2]" 1 892 1 51 LEU HB3 1 51 LEU QD 3.100 . 4.100 2.224 2.124 2.366 . 0 0 "[ . 1 . 2]" 1 893 1 51 LEU HB3 1 52 ARG H 3.000 . 3.000 2.621 2.310 2.951 . 0 0 "[ . 1 . 2]" 1 894 1 51 LEU QD 1 52 ARG H 4.700 . 5.700 3.784 3.266 4.132 . 0 0 "[ . 1 . 2]" 1 895 1 51 LEU QD 1 52 ARG QB 5.400 . 6.400 4.649 3.820 5.259 . 0 0 "[ . 1 . 2]" 1 896 1 51 LEU QD 1 54 LEU H 5.000 . 6.000 4.441 3.775 4.910 . 0 0 "[ . 1 . 2]" 1 897 1 51 LEU QD 1 55 ALA H 5.300 . 6.300 4.334 3.423 5.205 . 0 0 "[ . 1 . 2]" 1 898 1 51 LEU QD 1 62 PRO QB 5.400 . 6.400 3.814 2.686 5.324 . 0 0 "[ . 1 . 2]" 1 899 1 51 LEU QD 1 66 THR H 5.200 . 6.200 3.722 2.803 4.995 . 0 0 "[ . 1 . 2]" 1 900 1 51 LEU QD 1 66 THR HA 5.200 . 6.200 2.774 2.132 3.429 . 0 0 "[ . 1 . 2]" 1 901 1 51 LEU MD1 1 52 ARG H 5.500 . 6.500 4.524 3.448 4.898 . 0 0 "[ . 1 . 2]" 1 902 1 51 LEU MD2 1 52 ARG H 5.500 . 6.500 4.167 3.326 4.612 . 0 0 "[ . 1 . 2]" 1 903 1 52 ARG H 1 52 ARG QB 3.000 . 4.000 2.356 2.157 2.689 . 0 0 "[ . 1 . 2]" 1 904 1 52 ARG H 1 52 ARG QD 5.000 . 6.000 4.003 3.367 4.791 . 0 0 "[ . 1 . 2]" 1 905 1 52 ARG H 1 52 ARG QG 4.800 . 5.800 2.967 2.113 4.036 . 0 0 "[ . 1 . 2]" 1 906 1 52 ARG H 1 53 THR H 3.500 . 3.500 2.656 2.532 2.846 . 0 0 "[ . 1 . 2]" 1 907 1 52 ARG H 1 54 LEU H 5.500 . 5.500 4.185 3.965 4.356 . 0 0 "[ . 1 . 2]" 1 908 1 52 ARG HA 1 52 ARG QD 4.800 . 5.800 3.802 2.054 4.279 . 0 0 "[ . 1 . 2]" 1 909 1 52 ARG HA 1 52 ARG QG 3.100 . 4.100 2.641 2.354 3.503 . 0 0 "[ . 1 . 2]" 1 910 1 52 ARG HA 1 55 ALA H 5.200 . 5.200 3.535 3.177 4.153 . 0 0 "[ . 1 . 2]" 1 911 1 52 ARG QB 1 52 ARG QD 2.900 . 3.900 2.327 2.049 2.791 . 0 0 "[ . 1 . 2]" 1 912 1 52 ARG QB 1 53 THR H 3.300 . 4.300 2.774 2.357 3.673 . 0 0 "[ . 1 . 2]" 1 913 1 52 ARG QB 1 53 THR HB 5.500 . 6.500 4.975 4.529 5.775 . 0 0 "[ . 1 . 2]" 1 914 1 52 ARG QB 1 54 LEU H 5.000 . 6.000 4.801 4.627 5.265 . 0 0 "[ . 1 . 2]" 1 915 1 52 ARG QB 1 55 ALA H 5.500 . 6.500 4.970 4.591 5.460 . 0 0 "[ . 1 . 2]" 1 916 1 52 ARG QB 1 56 VAL MG2 5.100 . 6.100 4.128 3.345 4.929 . 0 0 "[ . 1 . 2]" 1 917 1 53 THR H 1 53 THR HB 3.200 . 3.200 2.538 2.447 2.658 . 0 0 "[ . 1 . 2]" 1 918 1 53 THR H 1 53 THR MG 3.900 . 4.900 3.733 3.692 3.774 . 0 0 "[ . 1 . 2]" 1 919 1 53 THR H 1 54 LEU H 3.400 . 3.400 2.598 2.351 2.740 . 0 0 "[ . 1 . 2]" 1 920 1 53 THR H 1 56 VAL H 5.400 . 5.400 4.955 4.736 5.224 . 0 0 "[ . 1 . 2]" 1 921 1 53 THR HA 1 53 THR MG 3.400 . 4.400 2.374 2.313 2.437 . 0 0 "[ . 1 . 2]" 1 922 1 53 THR HA 1 56 VAL HB 4.300 . 4.300 3.143 2.661 3.770 . 0 0 "[ . 1 . 2]" 1 923 1 53 THR HA 1 56 VAL MG2 3.600 . 4.600 2.772 2.325 3.358 . 0 0 "[ . 1 . 2]" 1 924 1 53 THR HA 1 57 ILE MD 5.500 . 6.500 4.915 4.473 5.531 . 0 0 "[ . 1 . 2]" 1 925 1 53 THR HB 1 54 LEU H 3.300 . 3.300 2.619 2.313 2.843 . 0 0 "[ . 1 . 2]" 1 926 1 53 THR HB 1 54 LEU QD 5.200 . 6.200 3.309 2.301 4.151 . 0 0 "[ . 1 . 2]" 1 927 1 53 THR HB 1 57 ILE MD 5.500 . 6.500 4.152 3.643 4.935 . 0 0 "[ . 1 . 2]" 1 928 1 53 THR MG 1 54 LEU H 4.400 . 5.400 3.608 3.351 3.817 . 0 0 "[ . 1 . 2]" 1 929 1 53 THR MG 1 56 VAL H 5.500 . 6.500 4.514 4.268 4.900 . 0 0 "[ . 1 . 2]" 1 930 1 53 THR MG 1 57 ILE H 5.100 . 6.100 4.228 3.843 4.740 . 0 0 "[ . 1 . 2]" 1 931 1 53 THR MG 1 57 ILE MD 3.500 . 4.500 2.612 2.008 3.535 . 0 0 "[ . 1 . 2]" 1 932 1 53 THR MG 1 57 ILE HG13 5.100 . 6.100 3.050 2.573 3.614 . 0 0 "[ . 1 . 2]" 1 933 1 54 LEU H 1 54 LEU HB2 3.800 . 3.800 2.407 2.227 2.526 . 0 0 "[ . 1 . 2]" 1 934 1 54 LEU H 1 54 LEU QB 3.100 . 4.100 2.371 2.204 2.480 . 0 0 "[ . 1 . 2]" 1 935 1 54 LEU H 1 54 LEU HB3 3.800 . 3.800 3.584 3.513 3.624 . 0 0 "[ . 1 . 2]" 1 936 1 54 LEU H 1 54 LEU MD1 4.200 . 5.200 2.892 1.970 3.743 . 0 0 "[ . 1 . 2]" 1 937 1 54 LEU H 1 54 LEU QD 3.500 . 4.500 2.618 1.964 3.141 . 0 0 "[ . 1 . 2]" 1 938 1 54 LEU H 1 54 LEU MD2 4.200 . 5.200 3.613 3.179 3.967 . 0 0 "[ . 1 . 2]" 1 939 1 54 LEU H 1 54 LEU HG 4.000 . 4.000 3.094 2.205 4.026 0.026 15 0 "[ . 1 . 2]" 1 940 1 54 LEU H 1 55 ALA H 3.200 . 3.200 2.701 2.530 2.893 . 0 0 "[ . 1 . 2]" 1 941 1 54 LEU H 1 55 ALA MB 4.400 . 5.400 4.335 4.204 4.516 . 0 0 "[ . 1 . 2]" 1 942 1 54 LEU H 1 56 VAL H 4.500 . 4.500 4.128 3.931 4.403 . 0 0 "[ . 1 . 2]" 1 943 1 54 LEU H 1 56 VAL MG2 5.500 . 6.500 4.856 4.532 5.147 . 0 0 "[ . 1 . 2]" 1 944 1 54 LEU H 1 57 ILE MD 4.600 . 5.600 4.219 3.874 4.582 . 0 0 "[ . 1 . 2]" 1 945 1 54 LEU HA 1 54 LEU QD 3.200 . 4.200 2.300 1.962 2.802 . 0 0 "[ . 1 . 2]" 1 946 1 54 LEU HA 1 54 LEU HG 4.200 . 4.200 2.821 2.544 3.143 . 0 0 "[ . 1 . 2]" 1 947 1 54 LEU HA 1 57 ILE H 4.100 . 4.100 3.376 3.100 3.531 . 0 0 "[ . 1 . 2]" 1 948 1 54 LEU HA 1 57 ILE HB 3.800 . 3.800 3.072 2.645 3.602 . 0 0 "[ . 1 . 2]" 1 949 1 54 LEU HA 1 57 ILE MD 3.500 . 4.500 2.274 2.026 3.040 . 0 0 "[ . 1 . 2]" 1 950 1 54 LEU HA 1 57 ILE HG13 5.500 . 5.500 2.637 2.112 3.381 . 0 0 "[ . 1 . 2]" 1 951 1 54 LEU HA 1 57 ILE MG 4.600 . 5.600 4.252 3.954 4.495 . 0 0 "[ . 1 . 2]" 1 952 1 54 LEU QB 1 54 LEU QD 2.700 . 3.700 1.940 1.919 1.962 . 0 0 "[ . 1 . 2]" 1 953 1 54 LEU QB 1 55 ALA H 3.700 . 4.700 2.553 2.301 2.774 . 0 0 "[ . 1 . 2]" 1 954 1 54 LEU QB 1 65 LEU MD1 3.800 . 4.800 2.540 2.109 3.443 . 0 0 "[ . 1 . 2]" 1 955 1 54 LEU HB2 1 55 ALA H 4.500 . 4.500 2.638 2.343 2.888 . 0 0 "[ . 1 . 2]" 1 956 1 54 LEU HB3 1 55 ALA H 4.500 . 4.500 3.449 3.112 3.753 . 0 0 "[ . 1 . 2]" 1 957 1 54 LEU QD 1 57 ILE H 5.400 . 6.400 4.908 4.544 5.302 . 0 0 "[ . 1 . 2]" 1 958 1 54 LEU QD 1 57 ILE HB 4.600 . 5.600 4.298 3.458 5.180 . 0 0 "[ . 1 . 2]" 1 959 1 54 LEU QD 1 57 ILE MD 3.100 . 4.100 2.621 1.900 3.509 . 0 0 "[ . 1 . 2]" 1 960 1 54 LEU QD 1 58 TYR HE2 4.300 . 5.300 2.827 1.933 4.690 . 0 0 "[ . 1 . 2]" 1 961 1 54 LEU MD1 1 55 ALA H 5.500 . 6.500 4.275 3.876 4.649 . 0 0 "[ . 1 . 2]" 1 962 1 54 LEU MD1 1 58 TYR HE2 5.500 . 6.500 4.049 2.834 6.418 . 0 0 "[ . 1 . 2]" 1 963 1 54 LEU MD2 1 55 ALA H 5.500 . 6.500 4.633 4.438 4.829 . 0 0 "[ . 1 . 2]" 1 964 1 54 LEU MD2 1 58 TYR HE2 5.500 . 6.500 2.956 1.968 5.171 . 0 0 "[ . 1 . 2]" 1 965 1 54 LEU HG 1 65 LEU MD1 5.400 . 6.400 4.634 3.887 5.891 . 0 0 "[ . 1 . 2]" 1 966 1 55 ALA H 1 55 ALA MB 3.000 . 4.000 2.223 2.189 2.247 . 0 0 "[ . 1 . 2]" 1 967 1 55 ALA H 1 56 VAL H 3.600 . 3.600 2.678 2.440 2.848 . 0 0 "[ . 1 . 2]" 1 968 1 55 ALA H 1 56 VAL MG2 4.500 . 5.500 4.005 3.745 4.243 . 0 0 "[ . 1 . 2]" 1 969 1 55 ALA H 1 62 PRO QB 5.500 . 6.500 5.537 4.706 6.456 . 0 0 "[ . 1 . 2]" 1 970 1 55 ALA H 1 65 LEU MD1 5.500 . 6.500 3.739 3.352 4.174 . 0 0 "[ . 1 . 2]" 1 971 1 55 ALA H 1 65 LEU MD2 3.700 . 4.700 4.148 3.526 4.702 0.002 14 0 "[ . 1 . 2]" 1 972 1 55 ALA H 1 65 LEU HG 3.600 . 3.600 3.094 2.775 3.628 0.028 14 0 "[ . 1 . 2]" 1 973 1 55 ALA HA 1 58 TYR H 4.200 . 4.200 3.691 3.546 3.886 . 0 0 "[ . 1 . 2]" 1 974 1 55 ALA HA 1 58 TYR HB2 5.000 . 5.000 3.676 3.502 3.824 . 0 0 "[ . 1 . 2]" 1 975 1 55 ALA HA 1 58 TYR HB3 5.500 . 5.500 5.410 5.223 5.531 0.031 11 0 "[ . 1 . 2]" 1 976 1 55 ALA HA 1 60 GLN QB 5.100 . 6.100 2.901 2.289 3.216 . 0 0 "[ . 1 . 2]" 1 977 1 55 ALA HA 1 65 LEU MD2 3.200 . 4.200 2.761 2.116 3.172 . 0 0 "[ . 1 . 2]" 1 978 1 55 ALA HA 1 65 LEU HG 4.300 . 4.300 2.362 1.921 2.773 . 0 0 "[ . 1 . 2]" 1 979 1 55 ALA MB 1 56 VAL H 3.400 . 4.400 2.652 2.490 2.813 . 0 0 "[ . 1 . 2]" 1 980 1 55 ALA MB 1 56 VAL HB 5.500 . 6.500 4.693 4.557 4.829 . 0 0 "[ . 1 . 2]" 1 981 1 55 ALA MB 1 56 VAL MG2 3.500 . 4.500 3.048 2.879 3.167 . 0 0 "[ . 1 . 2]" 1 982 1 55 ALA MB 1 57 ILE H 5.500 . 6.500 4.515 4.399 4.682 . 0 0 "[ . 1 . 2]" 1 983 1 55 ALA MB 1 58 TYR H 5.500 . 6.500 4.785 4.606 4.933 . 0 0 "[ . 1 . 2]" 1 984 1 55 ALA MB 1 61 SER H 4.300 . 5.300 4.446 3.918 4.932 . 0 0 "[ . 1 . 2]" 1 985 1 55 ALA MB 1 61 SER HA 4.400 . 5.400 3.443 2.715 4.215 . 0 0 "[ . 1 . 2]" 1 986 1 55 ALA MB 1 62 PRO HA 2.900 . 3.900 2.374 1.975 2.798 . 0 0 "[ . 1 . 2]" 1 987 1 55 ALA MB 1 62 PRO QB 3.400 . 4.400 3.431 2.919 3.949 . 0 0 "[ . 1 . 2]" 1 988 1 55 ALA MB 1 62 PRO QD 4.100 . 5.100 2.806 2.305 3.385 . 0 0 "[ . 1 . 2]" 1 989 1 55 ALA MB 1 62 PRO QG 4.800 . 5.800 2.875 2.339 4.025 . 0 0 "[ . 1 . 2]" 1 990 1 55 ALA MB 1 64 VAL H 5.500 . 6.500 5.514 4.941 6.103 . 0 0 "[ . 1 . 2]" 1 991 1 55 ALA MB 1 64 VAL QG 4.700 . 5.700 4.895 3.913 5.649 . 0 0 "[ . 1 . 2]" 1 992 1 55 ALA MB 1 65 LEU H 4.500 . 5.500 4.287 3.730 4.744 . 0 0 "[ . 1 . 2]" 1 993 1 55 ALA MB 1 65 LEU MD1 4.100 . 5.100 3.293 2.800 3.750 . 0 0 "[ . 1 . 2]" 1 994 1 55 ALA MB 1 65 LEU MD2 3.400 . 4.400 3.511 3.047 3.868 . 0 0 "[ . 1 . 2]" 1 995 1 55 ALA MB 1 65 LEU HG 3.700 . 4.700 2.346 2.031 2.717 . 0 0 "[ . 1 . 2]" 1 996 1 56 VAL H 1 56 VAL HB 3.100 . 3.100 2.537 2.422 2.582 . 0 0 "[ . 1 . 2]" 1 997 1 56 VAL H 1 56 VAL MG1 3.800 . 4.800 3.779 3.739 3.800 . 0 0 "[ . 1 . 2]" 1 998 1 56 VAL H 1 56 VAL MG2 3.000 . 4.000 2.137 1.996 2.253 . 0 0 "[ . 1 . 2]" 1 999 1 56 VAL H 1 57 ILE H 3.500 . 3.500 2.484 2.391 2.571 . 0 0 "[ . 1 . 2]" 1 1000 1 56 VAL H 1 57 ILE MD 5.300 . 6.300 5.041 4.958 5.113 . 0 0 "[ . 1 . 2]" 1 1001 1 56 VAL H 1 57 ILE HG13 3.800 . 3.800 3.827 3.765 3.857 0.057 18 0 "[ . 1 . 2]" 1 1002 1 56 VAL H 1 58 TYR H 4.200 . 4.200 4.156 4.008 4.233 0.033 11 0 "[ . 1 . 2]" 1 1003 1 56 VAL H 1 65 LEU MD2 4.800 . 5.800 5.516 4.879 5.824 0.024 3 0 "[ . 1 . 2]" 1 1004 1 56 VAL HA 1 56 VAL MG1 3.300 . 4.300 2.423 2.381 2.469 . 0 0 "[ . 1 . 2]" 1 1005 1 56 VAL HA 1 56 VAL MG2 3.000 . 4.000 2.417 2.361 2.451 . 0 0 "[ . 1 . 2]" 1 1006 1 56 VAL HA 1 58 TYR H 4.700 . 4.700 4.402 3.998 4.670 . 0 0 "[ . 1 . 2]" 1 1007 1 56 VAL HA 1 59 ASP H 4.000 . 4.000 3.526 3.131 3.868 . 0 0 "[ . 1 . 2]" 1 1008 1 56 VAL HA 1 59 ASP HA 4.900 . 4.900 3.351 2.954 3.778 . 0 0 "[ . 1 . 2]" 1 1009 1 56 VAL HB 1 57 ILE H 3.800 . 3.800 2.711 2.478 2.952 . 0 0 "[ . 1 . 2]" 1 1010 1 56 VAL HB 1 57 ILE MD 4.900 . 5.900 4.838 4.459 5.236 . 0 0 "[ . 1 . 2]" 1 1011 1 56 VAL HB 1 58 TYR H 5.500 . 5.500 5.150 5.007 5.314 . 0 0 "[ . 1 . 2]" 1 1012 1 56 VAL MG1 1 57 ILE H 4.100 . 5.100 3.580 3.386 3.730 . 0 0 "[ . 1 . 2]" 1 1013 1 56 VAL MG1 1 57 ILE HA 5.000 . 6.000 3.587 3.326 3.776 . 0 0 "[ . 1 . 2]" 1 1014 1 56 VAL MG1 1 58 TYR H 5.500 . 6.500 5.093 4.831 5.313 . 0 0 "[ . 1 . 2]" 1 1015 1 56 VAL MG1 1 59 ASP H 4.500 . 5.500 4.495 4.131 4.761 . 0 0 "[ . 1 . 2]" 1 1016 1 56 VAL MG1 1 59 ASP HA 5.400 . 6.400 4.459 3.943 4.912 . 0 0 "[ . 1 . 2]" 1 1017 1 56 VAL MG2 1 57 ILE H 4.000 . 5.000 3.813 3.710 3.944 . 0 0 "[ . 1 . 2]" 1 1018 1 56 VAL MG2 1 57 ILE MD 5.500 . 6.500 5.509 5.225 5.797 . 0 0 "[ . 1 . 2]" 1 1019 1 56 VAL MG2 1 58 TYR H 5.500 . 6.500 5.444 5.251 5.578 . 0 0 "[ . 1 . 2]" 1 1020 1 57 ILE H 1 57 ILE HB 3.400 . 3.400 2.688 2.564 2.781 . 0 0 "[ . 1 . 2]" 1 1021 1 57 ILE H 1 57 ILE MD 3.900 . 4.900 3.601 3.514 3.667 . 0 0 "[ . 1 . 2]" 1 1022 1 57 ILE H 1 57 ILE HG12 3.500 . 3.500 3.155 3.016 3.237 . 0 0 "[ . 1 . 2]" 1 1023 1 57 ILE H 1 57 ILE HG13 3.500 . 3.500 1.971 1.865 2.024 . 0 0 "[ . 1 . 2]" 1 1024 1 57 ILE H 1 57 ILE MG 3.900 . 4.900 3.803 3.758 3.824 . 0 0 "[ . 1 . 2]" 1 1025 1 57 ILE H 1 58 TYR H 3.900 . 3.900 2.674 2.544 2.780 . 0 0 "[ . 1 . 2]" 1 1026 1 57 ILE HA 1 57 ILE MD 3.900 . 4.900 3.876 3.814 3.908 . 0 0 "[ . 1 . 2]" 1 1027 1 57 ILE HA 1 57 ILE HG12 4.200 . 4.200 2.614 2.513 2.689 . 0 0 "[ . 1 . 2]" 1 1028 1 57 ILE HA 1 57 ILE HG13 3.900 . 3.900 3.163 3.091 3.229 . 0 0 "[ . 1 . 2]" 1 1029 1 57 ILE HA 1 57 ILE MG 3.500 . 4.500 2.361 2.306 2.386 . 0 0 "[ . 1 . 2]" 1 1030 1 57 ILE HA 1 59 ASP H 5.500 . 5.500 3.941 3.806 4.089 . 0 0 "[ . 1 . 2]" 1 1031 1 57 ILE HB 1 57 ILE MD 3.500 . 4.500 2.455 2.427 2.478 . 0 0 "[ . 1 . 2]" 1 1032 1 57 ILE HB 1 58 TYR H 3.800 . 3.800 2.575 2.367 2.915 . 0 0 "[ . 1 . 2]" 1 1033 1 57 ILE HB 1 58 TYR HB2 5.500 . 5.500 4.678 4.411 4.841 . 0 0 "[ . 1 . 2]" 1 1034 1 57 ILE HB 1 58 TYR HE1 4.700 . 4.700 3.423 3.290 3.548 . 0 0 "[ . 1 . 2]" 1 1035 1 57 ILE HB 1 58 TYR HE2 4.900 . 4.900 4.723 4.328 4.973 0.073 8 0 "[ . 1 . 2]" 1 1036 1 57 ILE HB 1 59 ASP H 5.500 . 5.500 4.592 4.432 4.855 . 0 0 "[ . 1 . 2]" 1 1037 1 57 ILE MD 1 57 ILE MG 3.000 . 4.000 1.926 1.898 1.952 . 0 0 "[ . 1 . 2]" 1 1038 1 57 ILE MD 1 58 TYR H 5.300 . 6.300 4.532 4.357 4.764 . 0 0 "[ . 1 . 2]" 1 1039 1 57 ILE HG13 1 57 ILE MG 3.200 . 4.200 3.194 3.182 3.207 . 0 0 "[ . 1 . 2]" 1 1040 1 57 ILE HG13 1 58 TYR H 5.500 . 5.500 3.980 3.773 4.118 . 0 0 "[ . 1 . 2]" 1 1041 1 57 ILE HG13 1 58 TYR HE1 5.500 . 5.500 5.547 5.518 5.582 0.082 5 0 "[ . 1 . 2]" 1 1042 1 57 ILE MG 1 58 TYR H 3.900 . 4.900 3.577 3.429 3.834 . 0 0 "[ . 1 . 2]" 1 1043 1 57 ILE MG 1 58 TYR HA 4.200 . 5.200 3.518 3.354 3.728 . 0 0 "[ . 1 . 2]" 1 1044 1 57 ILE MG 1 58 TYR HD1 4.100 . 5.100 2.627 2.412 2.867 . 0 0 "[ . 1 . 2]" 1 1045 1 57 ILE MG 1 58 TYR HE1 3.800 . 4.800 2.718 2.527 2.956 . 0 0 "[ . 1 . 2]" 1 1046 1 57 ILE MG 1 59 ASP H 5.500 . 6.500 4.697 4.592 4.831 . 0 0 "[ . 1 . 2]" 1 1047 1 58 TYR H 1 58 TYR HB2 3.700 . 3.700 2.701 2.599 2.787 . 0 0 "[ . 1 . 2]" 1 1048 1 58 TYR H 1 58 TYR HB3 3.800 . 3.800 3.697 3.666 3.743 . 0 0 "[ . 1 . 2]" 1 1049 1 58 TYR H 1 58 TYR HD1 3.900 . 3.900 3.499 3.347 3.754 . 0 0 "[ . 1 . 2]" 1 1050 1 58 TYR H 1 58 TYR HD2 4.100 . 4.100 3.708 3.375 3.998 . 0 0 "[ . 1 . 2]" 1 1051 1 58 TYR H 1 58 TYR HE1 5.500 . 5.500 4.910 4.737 5.083 . 0 0 "[ . 1 . 2]" 1 1052 1 58 TYR H 1 58 TYR HE2 5.500 . 5.500 5.057 4.699 5.407 . 0 0 "[ . 1 . 2]" 1 1053 1 58 TYR H 1 59 ASP H 3.600 . 3.600 2.340 2.223 2.507 . 0 0 "[ . 1 . 2]" 1 1054 1 58 TYR H 1 59 ASP HA 5.000 . 5.000 4.441 4.233 4.618 . 0 0 "[ . 1 . 2]" 1 1055 1 58 TYR H 1 60 GLN QB 5.300 . 6.300 4.644 4.246 5.126 . 0 0 "[ . 1 . 2]" 1 1056 1 58 TYR H 1 60 GLN QG 5.300 . 6.300 4.678 4.009 6.307 0.007 9 0 "[ . 1 . 2]" 1 1057 1 58 TYR H 1 65 LEU MD2 4.700 . 5.700 4.513 3.930 4.814 . 0 0 "[ . 1 . 2]" 1 1058 1 58 TYR HA 1 58 TYR HD1 3.800 . 3.800 2.298 2.176 2.501 . 0 0 "[ . 1 . 2]" 1 1059 1 58 TYR HA 1 58 TYR HE1 5.500 . 5.500 4.716 4.574 4.899 . 0 0 "[ . 1 . 2]" 1 1060 1 58 TYR HA 1 59 ASP H 3.500 . 3.500 3.205 3.108 3.322 . 0 0 "[ . 1 . 2]" 1 1061 1 58 TYR HA 1 60 GLN H 5.300 . 5.300 5.090 4.608 5.368 0.068 10 0 "[ . 1 . 2]" 1 1062 1 58 TYR HB2 1 59 ASP H 3.900 . 3.900 3.560 3.316 3.763 . 0 0 "[ . 1 . 2]" 1 1063 1 58 TYR HB2 1 60 GLN H 5.400 . 5.400 3.639 3.006 4.213 . 0 0 "[ . 1 . 2]" 1 1064 1 58 TYR HB2 1 60 GLN QB 5.300 . 6.300 3.130 2.663 3.650 . 0 0 "[ . 1 . 2]" 1 1065 1 58 TYR HB2 1 60 GLN QG 4.400 . 5.400 2.693 1.881 4.634 . 0 0 "[ . 1 . 2]" 1 1066 1 58 TYR HB2 1 65 LEU MD1 5.500 . 6.500 5.624 5.088 6.373 . 0 0 "[ . 1 . 2]" 1 1067 1 58 TYR HB2 1 65 LEU MD2 4.800 . 5.800 3.206 2.754 3.946 . 0 0 "[ . 1 . 2]" 1 1068 1 58 TYR HB3 1 59 ASP H 4.600 . 4.600 4.381 4.265 4.496 . 0 0 "[ . 1 . 2]" 1 1069 1 58 TYR HB3 1 60 GLN H 5.400 . 5.400 4.990 4.344 5.418 0.018 5 0 "[ . 1 . 2]" 1 1070 1 58 TYR HB3 1 65 LEU MD2 5.500 . 6.500 4.245 3.798 4.991 . 0 0 "[ . 1 . 2]" 1 1071 1 58 TYR HE2 1 65 LEU MD1 5.100 . 6.100 3.716 2.966 4.474 . 0 0 "[ . 1 . 2]" 1 1072 1 58 TYR HE2 1 65 LEU MD2 4.600 . 5.600 2.649 2.095 3.347 . 0 0 "[ . 1 . 2]" 1 1073 1 59 ASP H 1 59 ASP HA 2.800 . 2.800 2.229 2.194 2.267 . 0 0 "[ . 1 . 2]" 1 1074 1 59 ASP H 1 59 ASP HB2 4.000 . 4.000 3.233 2.959 3.728 . 0 0 "[ . 1 . 2]" 1 1075 1 59 ASP H 1 59 ASP QB 3.500 . 4.500 3.051 2.811 3.446 . 0 0 "[ . 1 . 2]" 1 1076 1 59 ASP H 1 59 ASP HB3 4.000 . 4.000 3.748 3.507 4.063 0.063 17 0 "[ . 1 . 2]" 1 1077 1 59 ASP H 1 60 GLN H 3.000 . 3.000 2.768 2.517 3.008 0.008 18 0 "[ . 1 . 2]" 1 1078 1 59 ASP H 1 60 GLN HA 5.500 . 5.500 5.302 5.164 5.488 . 0 0 "[ . 1 . 2]" 1 1079 1 59 ASP HA 1 60 GLN H 3.100 . 3.100 2.512 2.182 2.926 . 0 0 "[ . 1 . 2]" 1 1080 1 60 GLN H 1 60 GLN QB 3.200 . 4.200 2.583 2.379 2.756 . 0 0 "[ . 1 . 2]" 1 1081 1 60 GLN H 1 60 GLN QG 3.400 . 4.400 3.072 2.730 4.074 . 0 0 "[ . 1 . 2]" 1 1082 1 60 GLN HA 1 61 SER H 3.400 . 3.400 2.346 2.098 2.541 . 0 0 "[ . 1 . 2]" 1 1083 1 60 GLN HA 1 64 VAL QG 5.400 . 6.400 3.968 3.439 4.829 . 0 0 "[ . 1 . 2]" 1 1084 1 60 GLN QB 1 61 SER H 3.100 . 4.100 2.537 2.136 3.561 . 0 0 "[ . 1 . 2]" 1 1085 1 60 GLN QB 1 65 LEU MD2 5.300 . 6.300 2.716 2.145 3.598 . 0 0 "[ . 1 . 2]" 1 1086 1 60 GLN QE 1 64 VAL QG 4.200 . 5.200 3.555 2.330 4.921 . 0 0 "[ . 1 . 2]" 1 1087 1 60 GLN QG 1 61 SER H 5.300 . 6.300 3.992 2.442 4.468 . 0 0 "[ . 1 . 2]" 1 1088 1 61 SER H 1 61 SER HB2 4.000 . 4.000 2.694 2.459 3.578 . 0 0 "[ . 1 . 2]" 1 1089 1 61 SER H 1 61 SER QB 3.400 . 4.400 2.375 2.189 2.796 . 0 0 "[ . 1 . 2]" 1 1090 1 61 SER H 1 61 SER HB3 4.000 . 4.000 2.901 2.318 3.594 . 0 0 "[ . 1 . 2]" 1 1091 1 61 SER H 1 64 VAL H 4.800 . 4.800 4.256 3.599 4.631 . 0 0 "[ . 1 . 2]" 1 1092 1 61 SER H 1 64 VAL MG1 4.200 . 5.200 3.609 2.076 4.506 . 0 0 "[ . 1 . 2]" 1 1093 1 61 SER H 1 64 VAL QG 3.700 . 4.700 2.815 2.073 3.495 . 0 0 "[ . 1 . 2]" 1 1094 1 61 SER H 1 64 VAL MG2 4.200 . 5.200 3.664 2.346 5.102 . 0 0 "[ . 1 . 2]" 1 1095 1 61 SER HA 1 62 PRO QD 3.100 . 4.100 2.018 1.967 2.137 . 0 0 "[ . 1 . 2]" 1 1096 1 61 SER HA 1 62 PRO QG 5.100 . 6.100 3.920 3.861 4.019 . 0 0 "[ . 1 . 2]" 1 1097 1 61 SER QB 1 62 PRO QD 3.800 . 4.800 2.975 2.267 3.484 . 0 0 "[ . 1 . 2]" 1 1098 1 61 SER QB 1 64 VAL H 5.200 . 6.200 2.900 2.517 3.666 . 0 0 "[ . 1 . 2]" 1 1099 1 61 SER QB 1 64 VAL HB 5.300 . 6.300 3.722 2.390 5.108 . 0 0 "[ . 1 . 2]" 1 1100 1 61 SER QB 1 64 VAL QG 4.200 . 5.200 2.361 2.006 3.474 . 0 0 "[ . 1 . 2]" 1 1101 1 62 PRO HA 1 65 LEU H 4.000 . 4.000 3.618 3.334 3.951 . 0 0 "[ . 1 . 2]" 1 1102 1 62 PRO HA 1 65 LEU HB2 4.700 . 4.700 3.184 2.531 3.775 . 0 0 "[ . 1 . 2]" 1 1103 1 62 PRO HA 1 65 LEU QB 3.800 . 4.800 2.366 2.011 2.715 . 0 0 "[ . 1 . 2]" 1 1104 1 62 PRO HA 1 65 LEU HB3 4.700 . 4.700 2.445 2.051 2.805 . 0 0 "[ . 1 . 2]" 1 1105 1 62 PRO HA 1 65 LEU MD2 4.700 . 5.700 4.821 4.193 5.239 . 0 0 "[ . 1 . 2]" 1 1106 1 62 PRO HA 1 66 THR H 4.300 . 4.300 3.894 3.595 4.193 . 0 0 "[ . 1 . 2]" 1 1107 1 62 PRO QB 1 63 SER HA 4.100 . 5.100 3.822 3.756 3.970 . 0 0 "[ . 1 . 2]" 1 1108 1 62 PRO QB 1 63 SER QB 5.300 . 6.300 4.358 3.682 4.945 . 0 0 "[ . 1 . 2]" 1 1109 1 62 PRO QB 1 66 THR H 5.400 . 6.400 4.720 4.316 4.937 . 0 0 "[ . 1 . 2]" 1 1110 1 63 SER H 1 64 VAL H 5.300 . 5.300 2.803 2.659 2.973 . 0 0 "[ . 1 . 2]" 1 1111 1 63 SER QB 1 64 VAL QG 3.600 . 4.600 3.199 2.607 4.155 . 0 0 "[ . 1 . 2]" 1 1112 1 63 SER HB2 1 64 VAL H 4.200 . 4.200 2.708 2.195 4.013 . 0 0 "[ . 1 . 2]" 1 1113 1 63 SER HB3 1 64 VAL H 4.200 . 4.200 3.476 2.377 3.786 . 0 0 "[ . 1 . 2]" 1 1114 1 64 VAL H 1 64 VAL HB 3.700 . 3.700 2.800 2.501 3.696 . 0 0 "[ . 1 . 2]" 1 1115 1 64 VAL H 1 64 VAL MG1 4.000 . 5.000 2.999 2.050 3.794 . 0 0 "[ . 1 . 2]" 1 1116 1 64 VAL H 1 64 VAL QG 3.500 . 4.500 2.066 1.900 2.221 . 0 0 "[ . 1 . 2]" 1 1117 1 64 VAL H 1 64 VAL MG2 4.000 . 5.000 2.607 1.905 3.836 . 0 0 "[ . 1 . 2]" 1 1118 1 64 VAL H 1 65 LEU H 3.400 . 3.400 2.496 2.272 2.659 . 0 0 "[ . 1 . 2]" 1 1119 1 64 VAL H 1 65 LEU HB2 5.500 . 5.500 4.625 4.325 4.918 . 0 0 "[ . 1 . 2]" 1 1120 1 64 VAL H 1 65 LEU HB3 5.500 . 5.500 4.742 4.508 4.983 . 0 0 "[ . 1 . 2]" 1 1121 1 64 VAL H 1 66 THR H 5.000 . 5.000 4.254 4.000 4.505 . 0 0 "[ . 1 . 2]" 1 1122 1 64 VAL H 1 67 GLU QG 5.500 . 6.500 4.835 4.093 6.420 . 0 0 "[ . 1 . 2]" 1 1123 1 64 VAL HA 1 64 VAL MG1 3.300 . 4.300 2.654 2.352 3.250 . 0 0 "[ . 1 . 2]" 1 1124 1 64 VAL HA 1 64 VAL QG 2.900 . 3.900 2.234 2.144 2.361 . 0 0 "[ . 1 . 2]" 1 1125 1 64 VAL HA 1 64 VAL MG2 3.300 . 4.300 2.571 2.348 3.239 . 0 0 "[ . 1 . 2]" 1 1126 1 64 VAL HA 1 67 GLU H 4.500 . 4.500 3.312 2.984 3.677 . 0 0 "[ . 1 . 2]" 1 1127 1 64 VAL HA 1 67 GLU QG 4.700 . 5.700 3.026 1.924 4.212 . 0 0 "[ . 1 . 2]" 1 1128 1 64 VAL HA 1 68 GLN H 5.500 . 5.500 4.085 3.799 4.354 . 0 0 "[ . 1 . 2]" 1 1129 1 64 VAL HB 1 65 LEU H 4.100 . 4.100 3.313 2.378 4.098 . 0 0 "[ . 1 . 2]" 1 1130 1 64 VAL QG 1 65 LEU H 3.600 . 4.600 2.831 2.302 3.355 . 0 0 "[ . 1 . 2]" 1 1131 1 64 VAL QG 1 65 LEU HA 3.700 . 4.700 3.390 3.114 3.681 . 0 0 "[ . 1 . 2]" 1 1132 1 64 VAL QG 1 65 LEU MD2 3.700 . 4.700 4.214 3.530 4.583 . 0 0 "[ . 1 . 2]" 1 1133 1 64 VAL QG 1 67 GLU QG 4.600 . 5.600 3.964 3.256 4.912 . 0 0 "[ . 1 . 2]" 1 1134 1 64 VAL QG 1 68 GLN H 5.400 . 6.400 3.965 3.451 4.765 . 0 0 "[ . 1 . 2]" 1 1135 1 64 VAL QG 1 68 GLN QG 4.700 . 5.700 2.749 2.251 3.805 . 0 0 "[ . 1 . 2]" 1 1136 1 64 VAL MG1 1 65 LEU H 4.200 . 5.200 3.311 2.447 4.058 . 0 0 "[ . 1 . 2]" 1 1137 1 64 VAL MG2 1 65 LEU H 4.200 . 5.200 3.527 2.316 3.951 . 0 0 "[ . 1 . 2]" 1 1138 1 65 LEU H 1 65 LEU HB2 3.200 . 3.200 2.372 2.195 2.470 . 0 0 "[ . 1 . 2]" 1 1139 1 65 LEU H 1 65 LEU HB3 3.200 . 3.200 2.566 2.459 2.794 . 0 0 "[ . 1 . 2]" 1 1140 1 65 LEU H 1 65 LEU MD1 4.600 . 5.600 4.254 4.184 4.330 . 0 0 "[ . 1 . 2]" 1 1141 1 65 LEU H 1 65 LEU MD2 4.300 . 5.300 4.025 3.766 4.128 . 0 0 "[ . 1 . 2]" 1 1142 1 65 LEU H 1 66 THR H 3.700 . 3.700 2.738 2.589 2.898 . 0 0 "[ . 1 . 2]" 1 1143 1 65 LEU H 1 67 GLU H 5.500 . 5.500 4.052 3.848 4.286 . 0 0 "[ . 1 . 2]" 1 1144 1 65 LEU H 1 67 GLU QG 5.300 . 6.300 5.229 4.247 6.401 0.101 3 0 "[ . 1 . 2]" 1 1145 1 65 LEU HA 1 65 LEU MD1 3.300 . 4.300 3.124 2.677 3.295 . 0 0 "[ . 1 . 2]" 1 1146 1 65 LEU HA 1 65 LEU MD2 3.600 . 4.600 2.101 2.036 2.166 . 0 0 "[ . 1 . 2]" 1 1147 1 65 LEU HA 1 65 LEU HG 3.800 . 3.800 3.808 3.777 3.833 0.033 18 0 "[ . 1 . 2]" 1 1148 1 65 LEU HA 1 68 GLN H 5.500 . 5.500 3.573 3.386 3.795 . 0 0 "[ . 1 . 2]" 1 1149 1 65 LEU HA 1 68 GLN HB2 3.200 . 3.200 2.951 2.552 3.198 . 0 0 "[ . 1 . 2]" 1 1150 1 65 LEU HA 1 68 GLN QG 4.200 . 5.200 3.154 2.291 3.951 . 0 0 "[ . 1 . 2]" 1 1151 1 65 LEU HA 1 69 LEU MD2 4.500 . 5.500 3.847 3.367 5.242 . 0 0 "[ . 1 . 2]" 1 1152 1 65 LEU QB 1 65 LEU MD1 3.000 . 4.000 2.296 2.268 2.358 . 0 0 "[ . 1 . 2]" 1 1153 1 65 LEU QB 1 66 THR H 3.500 . 4.500 2.451 2.307 2.657 . 0 0 "[ . 1 . 2]" 1 1154 1 65 LEU QB 1 66 THR HA 5.300 . 6.300 4.127 3.966 4.220 . 0 0 "[ . 1 . 2]" 1 1155 1 65 LEU HB2 1 66 THR H 4.200 . 4.200 3.751 3.541 3.966 . 0 0 "[ . 1 . 2]" 1 1156 1 65 LEU HB3 1 66 THR H 4.200 . 4.200 2.485 2.331 2.699 . 0 0 "[ . 1 . 2]" 1 1157 1 65 LEU MD1 1 66 THR H 4.700 . 5.700 3.311 3.097 3.730 . 0 0 "[ . 1 . 2]" 1 1158 1 65 LEU MD1 1 66 THR HA 5.100 . 6.100 3.012 2.693 3.547 . 0 0 "[ . 1 . 2]" 1 1159 1 65 LEU MD2 1 66 THR H 4.800 . 5.800 4.478 4.330 4.698 . 0 0 "[ . 1 . 2]" 1 1160 1 65 LEU HG 1 66 THR H 5.300 . 5.300 4.817 4.630 5.033 . 0 0 "[ . 1 . 2]" 1 1161 1 66 THR H 1 66 THR HB 3.200 . 3.200 2.630 2.475 3.383 0.183 11 0 "[ . 1 . 2]" 1 1162 1 66 THR H 1 66 THR MG 3.900 . 4.900 3.442 2.143 3.769 . 0 0 "[ . 1 . 2]" 1 1163 1 66 THR H 1 67 GLU H 3.800 . 3.800 2.669 2.516 2.810 . 0 0 "[ . 1 . 2]" 1 1164 1 66 THR H 1 67 GLU QB 5.500 . 6.500 4.660 4.209 5.097 . 0 0 "[ . 1 . 2]" 1 1165 1 66 THR H 1 67 GLU QG 5.500 . 6.500 4.533 3.783 6.202 . 0 0 "[ . 1 . 2]" 1 1166 1 66 THR H 1 75 LEU QD 5.400 . 6.400 5.208 4.694 5.880 . 0 0 "[ . 1 . 2]" 1 1167 1 66 THR HA 1 66 THR MG 3.500 . 4.500 2.491 2.239 3.251 . 0 0 "[ . 1 . 2]" 1 1168 1 66 THR HA 1 69 LEU H 4.200 . 4.200 3.651 3.303 3.876 . 0 0 "[ . 1 . 2]" 1 1169 1 66 THR HA 1 69 LEU QB 5.000 . 6.000 2.908 2.139 3.606 . 0 0 "[ . 1 . 2]" 1 1170 1 66 THR HA 1 69 LEU MD2 4.200 . 5.200 3.610 2.838 5.026 . 0 0 "[ . 1 . 2]" 1 1171 1 66 THR HA 1 70 ILE H 5.500 . 5.500 4.239 3.887 4.641 . 0 0 "[ . 1 . 2]" 1 1172 1 66 THR HA 1 70 ILE MD 5.500 . 6.500 4.378 4.182 4.634 . 0 0 "[ . 1 . 2]" 1 1173 1 66 THR HA 1 70 ILE HG13 5.500 . 5.500 4.063 3.878 4.407 . 0 0 "[ . 1 . 2]" 1 1174 1 66 THR HA 1 75 LEU MD1 5.500 . 6.500 5.412 4.070 6.232 . 0 0 "[ . 1 . 2]" 1 1175 1 66 THR HA 1 75 LEU QD 4.800 . 5.800 3.036 2.542 3.650 . 0 0 "[ . 1 . 2]" 1 1176 1 66 THR HA 1 75 LEU MD2 5.500 . 6.500 3.062 2.548 3.675 . 0 0 "[ . 1 . 2]" 1 1177 1 66 THR HB 1 67 GLU H 4.100 . 4.100 2.844 2.400 4.119 0.019 17 0 "[ . 1 . 2]" 1 1178 1 66 THR MG 1 67 GLU H 4.000 . 5.000 3.417 2.334 4.015 . 0 0 "[ . 1 . 2]" 1 1179 1 66 THR MG 1 68 GLN H 5.500 . 6.500 5.083 4.521 5.554 . 0 0 "[ . 1 . 2]" 1 1180 1 66 THR MG 1 70 ILE H 5.500 . 6.500 4.338 3.761 5.411 . 0 0 "[ . 1 . 2]" 1 1181 1 66 THR MG 1 80 ARG H 5.300 . 6.300 4.162 3.177 5.493 . 0 0 "[ . 1 . 2]" 1 1182 1 66 THR MG 1 80 ARG HA 3.200 . 4.200 2.813 2.074 3.968 . 0 0 "[ . 1 . 2]" 1 1183 1 67 GLU H 1 67 GLU QB 3.200 . 4.200 2.408 2.118 2.629 . 0 0 "[ . 1 . 2]" 1 1184 1 67 GLU H 1 67 GLU QG 3.300 . 4.300 2.479 1.999 4.006 . 0 0 "[ . 1 . 2]" 1 1185 1 67 GLU H 1 68 GLN H 3.600 . 3.600 2.715 2.642 2.838 . 0 0 "[ . 1 . 2]" 1 1186 1 67 GLU H 1 68 GLN HB2 4.700 . 4.700 4.708 4.597 4.740 0.040 15 0 "[ . 1 . 2]" 1 1187 1 67 GLU H 1 70 ILE MD 5.500 . 6.500 4.379 3.909 4.805 . 0 0 "[ . 1 . 2]" 1 1188 1 67 GLU HA 1 67 GLU QG 3.500 . 4.500 2.610 2.285 3.335 . 0 0 "[ . 1 . 2]" 1 1189 1 67 GLU HA 1 70 ILE H 4.200 . 4.200 3.535 3.058 3.887 . 0 0 "[ . 1 . 2]" 1 1190 1 67 GLU HA 1 70 ILE HB 3.200 . 3.200 2.753 2.290 3.221 0.021 10 0 "[ . 1 . 2]" 1 1191 1 67 GLU HA 1 70 ILE MD 3.200 . 4.200 2.800 2.140 3.681 . 0 0 "[ . 1 . 2]" 1 1192 1 67 GLU HA 1 70 ILE MG 4.300 . 5.300 4.096 3.737 4.479 . 0 0 "[ . 1 . 2]" 1 1193 1 67 GLU QB 1 68 GLN H 3.700 . 4.700 2.679 2.321 3.558 . 0 0 "[ . 1 . 2]" 1 1194 1 67 GLU QB 1 70 ILE MD 4.600 . 5.600 4.478 3.620 5.354 . 0 0 "[ . 1 . 2]" 1 1195 1 67 GLU QB 1 71 SER H 4.800 . 5.800 4.656 4.282 5.427 . 0 0 "[ . 1 . 2]" 1 1196 1 67 GLU QB 1 71 SER QB 5.500 . 6.500 4.513 3.692 5.466 . 0 0 "[ . 1 . 2]" 1 1197 1 67 GLU QG 1 68 GLN H 4.200 . 5.200 4.016 2.350 4.417 . 0 0 "[ . 1 . 2]" 1 1198 1 67 GLU QG 1 68 GLN HB2 5.500 . 6.500 6.020 3.953 6.506 0.006 1 0 "[ . 1 . 2]" 1 1199 1 67 GLU QG 1 69 LEU H 5.500 . 6.500 5.894 4.701 6.294 . 0 0 "[ . 1 . 2]" 1 1200 1 67 GLU QG 1 70 ILE HB 5.500 . 6.500 4.794 3.780 5.554 . 0 0 "[ . 1 . 2]" 1 1201 1 68 GLN H 1 68 GLN HB2 3.000 . 3.000 2.345 2.274 2.463 . 0 0 "[ . 1 . 2]" 1 1202 1 68 GLN H 1 68 GLN HB3 3.500 . 3.500 3.547 3.533 3.562 0.062 7 0 "[ . 1 . 2]" 1 1203 1 68 GLN H 1 68 GLN HG2 4.000 . 4.000 2.632 2.171 3.672 . 0 0 "[ . 1 . 2]" 1 1204 1 68 GLN H 1 68 GLN QG 3.400 . 4.400 2.379 2.147 2.641 . 0 0 "[ . 1 . 2]" 1 1205 1 68 GLN H 1 68 GLN HG3 4.000 . 4.000 3.432 2.323 3.928 . 0 0 "[ . 1 . 2]" 1 1206 1 68 GLN H 1 69 LEU H 3.300 . 3.300 2.804 2.655 2.979 . 0 0 "[ . 1 . 2]" 1 1207 1 68 GLN H 1 69 LEU MD2 5.500 . 6.500 4.275 3.895 5.427 . 0 0 "[ . 1 . 2]" 1 1208 1 68 GLN HA 1 68 GLN QE 5.300 . 6.300 3.078 1.738 4.716 0.062 7 0 "[ . 1 . 2]" 1 1209 1 68 GLN HA 1 71 SER H 4.200 . 4.200 3.503 3.243 3.821 . 0 0 "[ . 1 . 2]" 1 1210 1 68 GLN HA 1 71 SER QB 4.200 . 5.200 2.848 2.345 4.041 . 0 0 "[ . 1 . 2]" 1 1211 1 68 GLN HA 1 72 TRP H 5.500 . 5.500 4.224 3.794 4.530 . 0 0 "[ . 1 . 2]" 1 1212 1 68 GLN HB2 1 68 GLN HG2 3.000 . 3.000 2.568 2.401 3.007 0.007 5 0 "[ . 1 . 2]" 1 1213 1 68 GLN HB2 1 68 GLN HG3 3.000 . 3.000 2.383 2.286 2.454 . 0 0 "[ . 1 . 2]" 1 1214 1 68 GLN HB3 1 69 LEU H 3.300 . 3.300 3.222 3.065 3.325 0.025 5 0 "[ . 1 . 2]" 1 1215 1 68 GLN QE 1 72 TRP HE1 4.800 . 5.800 3.892 2.686 4.672 . 0 0 "[ . 1 . 2]" 1 1216 1 68 GLN QE 1 72 TRP HZ2 4.700 . 5.700 3.865 1.870 5.581 . 0 0 "[ . 1 . 2]" 1 1217 1 68 GLN HE21 1 72 TRP HE1 5.500 . 5.500 4.684 3.055 5.537 0.037 14 0 "[ . 1 . 2]" 1 1218 1 68 GLN HE22 1 72 TRP HE1 5.500 . 5.500 4.311 2.978 5.511 0.011 2 0 "[ . 1 . 2]" 1 1219 1 68 GLN QG 1 72 TRP HE1 5.300 . 6.300 4.687 3.344 5.463 . 0 0 "[ . 1 . 2]" 1 1220 1 68 GLN HG2 1 69 LEU MD2 5.500 . 6.500 5.096 4.335 6.533 0.033 9 0 "[ . 1 . 2]" 1 1221 1 68 GLN HG2 1 72 TRP HZ2 5.500 . 5.500 4.991 3.818 5.531 0.031 7 0 "[ . 1 . 2]" 1 1222 1 68 GLN HG3 1 69 LEU MD2 5.500 . 6.500 4.702 3.990 6.511 0.011 9 0 "[ . 1 . 2]" 1 1223 1 68 GLN HG3 1 72 TRP HZ2 5.500 . 5.500 4.176 3.544 5.510 0.010 5 0 "[ . 1 . 2]" 1 1224 1 69 LEU H 1 69 LEU HB2 3.800 . 3.800 2.326 2.164 2.613 . 0 0 "[ . 1 . 2]" 1 1225 1 69 LEU H 1 69 LEU QB 3.000 . 4.000 2.295 2.143 2.557 . 0 0 "[ . 1 . 2]" 1 1226 1 69 LEU H 1 69 LEU HB3 3.800 . 3.800 3.547 3.445 3.631 . 0 0 "[ . 1 . 2]" 1 1227 1 69 LEU H 1 69 LEU MD2 3.600 . 4.600 2.390 1.923 3.523 . 0 0 "[ . 1 . 2]" 1 1228 1 69 LEU H 1 69 LEU HG 3.900 . 3.900 3.677 2.229 3.961 0.061 9 0 "[ . 1 . 2]" 1 1229 1 69 LEU H 1 70 ILE H 3.600 . 3.600 2.787 2.680 2.919 . 0 0 "[ . 1 . 2]" 1 1230 1 69 LEU H 1 70 ILE HA 5.500 . 5.500 5.373 5.307 5.469 . 0 0 "[ . 1 . 2]" 1 1231 1 69 LEU H 1 70 ILE MD 5.400 . 6.400 5.395 5.108 5.594 . 0 0 "[ . 1 . 2]" 1 1232 1 69 LEU H 1 75 LEU QD 4.600 . 5.600 4.366 3.903 4.656 . 0 0 "[ . 1 . 2]" 1 1233 1 69 LEU HA 1 69 LEU MD1 3.500 . 4.500 2.351 2.039 3.816 . 0 0 "[ . 1 . 2]" 1 1234 1 69 LEU HA 1 69 LEU MD2 3.800 . 4.800 2.524 2.060 3.819 . 0 0 "[ . 1 . 2]" 1 1235 1 69 LEU HA 1 72 TRP H 3.700 . 3.700 3.519 3.363 3.687 . 0 0 "[ . 1 . 2]" 1 1236 1 69 LEU HA 1 72 TRP HB2 4.200 . 4.200 3.107 2.876 3.345 . 0 0 "[ . 1 . 2]" 1 1237 1 69 LEU HA 1 72 TRP HE3 4.800 . 4.800 2.771 2.507 3.294 . 0 0 "[ . 1 . 2]" 1 1238 1 69 LEU HA 1 75 LEU QD 4.700 . 5.700 4.607 3.698 4.917 . 0 0 "[ . 1 . 2]" 1 1239 1 69 LEU QB 1 69 LEU MD2 3.100 . 4.100 2.358 2.081 2.448 . 0 0 "[ . 1 . 2]" 1 1240 1 69 LEU QB 1 70 ILE H 4.000 . 5.000 2.670 2.565 2.757 . 0 0 "[ . 1 . 2]" 1 1241 1 69 LEU QB 1 75 LEU QB 3.700 . 4.700 2.010 1.787 4.112 0.013 6 0 "[ . 1 . 2]" 1 1242 1 69 LEU QB 1 75 LEU QD 3.800 . 4.800 2.358 1.909 2.669 . 0 0 "[ . 1 . 2]" 1 1243 1 69 LEU MD1 1 70 ILE H 5.500 . 6.500 4.691 4.224 4.791 . 0 0 "[ . 1 . 2]" 1 1244 1 69 LEU MD1 1 70 ILE HA 5.500 . 6.500 5.500 5.186 5.915 . 0 0 "[ . 1 . 2]" 1 1245 1 69 LEU MD1 1 72 TRP H 5.500 . 6.500 5.236 4.844 6.513 0.013 11 0 "[ . 1 . 2]" 1 1246 1 69 LEU MD1 1 72 TRP HE3 4.000 . 5.000 2.756 2.148 5.076 0.076 11 0 "[ . 1 . 2]" 1 1247 1 69 LEU MD1 1 72 TRP HH2 4.800 . 5.800 4.386 3.486 5.425 . 0 0 "[ . 1 . 2]" 1 1248 1 69 LEU MD1 1 72 TRP HZ2 5.500 . 6.500 5.674 4.740 6.593 0.093 11 0 "[ . 1 . 2]" 1 1249 1 69 LEU MD1 1 72 TRP HZ3 4.100 . 5.100 2.750 2.201 4.587 . 0 0 "[ . 1 . 2]" 1 1250 1 69 LEU MD1 1 74 VAL H 5.500 . 6.500 4.587 3.931 5.953 . 0 0 "[ . 1 . 2]" 1 1251 1 69 LEU MD1 1 74 VAL HA 5.500 . 6.500 5.155 4.450 6.625 0.125 9 0 "[ . 1 . 2]" 1 1252 1 69 LEU MD1 1 74 VAL HB 4.800 . 5.800 3.066 2.118 5.239 . 0 0 "[ . 1 . 2]" 1 1253 1 69 LEU MD1 1 74 VAL MG1 3.900 . 4.900 2.828 1.884 4.918 0.018 15 0 "[ . 1 . 2]" 1 1254 1 69 LEU MD1 1 74 VAL QG 3.400 . 4.400 2.378 1.817 3.643 . 0 0 "[ . 1 . 2]" 1 1255 1 69 LEU MD1 1 74 VAL MG2 3.900 . 4.900 3.024 2.037 4.903 0.003 8 0 "[ . 1 . 2]" 1 1256 1 69 LEU MD1 1 75 LEU H 5.200 . 6.200 4.198 3.513 5.785 . 0 0 "[ . 1 . 2]" 1 1257 1 69 LEU MD2 1 70 ILE H 5.300 . 6.300 4.296 4.018 4.682 . 0 0 "[ . 1 . 2]" 1 1258 1 69 LEU MD2 1 72 TRP H 5.500 . 6.500 5.296 4.780 6.503 0.003 9 0 "[ . 1 . 2]" 1 1259 1 70 ILE H 1 70 ILE HB 2.900 . 2.900 2.481 2.417 2.597 . 0 0 "[ . 1 . 2]" 1 1260 1 70 ILE H 1 70 ILE MD 3.600 . 4.600 3.587 3.447 3.652 . 0 0 "[ . 1 . 2]" 1 1261 1 70 ILE H 1 70 ILE HG12 3.800 . 3.800 3.513 3.401 3.607 . 0 0 "[ . 1 . 2]" 1 1262 1 70 ILE H 1 70 ILE HG13 3.100 . 3.100 2.227 2.092 2.332 . 0 0 "[ . 1 . 2]" 1 1263 1 70 ILE H 1 70 ILE MG 4.200 . 5.200 3.775 3.744 3.817 . 0 0 "[ . 1 . 2]" 1 1264 1 70 ILE H 1 71 SER H 4.700 . 4.700 2.610 2.507 2.736 . 0 0 "[ . 1 . 2]" 1 1265 1 70 ILE H 1 75 LEU QB 5.300 . 6.300 3.418 3.105 5.492 . 0 0 "[ . 1 . 2]" 1 1266 1 70 ILE H 1 75 LEU QD 4.500 . 5.500 3.565 2.618 3.780 . 0 0 "[ . 1 . 2]" 1 1267 1 70 ILE HA 1 70 ILE MD 3.900 . 4.900 3.837 3.789 3.881 . 0 0 "[ . 1 . 2]" 1 1268 1 70 ILE HA 1 70 ILE HG12 3.500 . 3.500 2.527 2.468 2.603 . 0 0 "[ . 1 . 2]" 1 1269 1 70 ILE HA 1 70 ILE HG13 3.800 . 3.800 2.939 2.874 3.058 . 0 0 "[ . 1 . 2]" 1 1270 1 70 ILE HA 1 70 ILE MG 3.200 . 4.200 2.472 2.393 2.521 . 0 0 "[ . 1 . 2]" 1 1271 1 70 ILE HA 1 73 GLY H 4.600 . 4.600 3.475 3.209 3.889 . 0 0 "[ . 1 . 2]" 1 1272 1 70 ILE HA 1 75 LEU H 3.600 . 3.600 2.863 2.264 3.126 . 0 0 "[ . 1 . 2]" 1 1273 1 70 ILE HA 1 75 LEU HB2 4.600 . 4.600 4.448 4.096 4.739 0.139 14 0 "[ . 1 . 2]" 1 1274 1 70 ILE HA 1 75 LEU QB 4.000 . 5.000 2.891 2.479 4.193 . 0 0 "[ . 1 . 2]" 1 1275 1 70 ILE HA 1 75 LEU HB3 4.600 . 4.600 2.946 2.500 4.676 0.076 14 0 "[ . 1 . 2]" 1 1276 1 70 ILE HA 1 77 ALA HA 5.500 . 5.500 4.591 4.020 5.548 0.048 11 0 "[ . 1 . 2]" 1 1277 1 70 ILE HB 1 70 ILE MD 3.000 . 4.000 2.420 2.358 2.449 . 0 0 "[ . 1 . 2]" 1 1278 1 70 ILE HB 1 71 SER H 3.200 . 3.200 2.722 2.476 2.883 . 0 0 "[ . 1 . 2]" 1 1279 1 70 ILE HB 1 73 GLY H 5.500 . 5.500 5.412 5.305 5.519 0.019 17 0 "[ . 1 . 2]" 1 1280 1 70 ILE HB 1 75 LEU QB 5.300 . 6.300 4.720 4.357 6.344 0.044 14 0 "[ . 1 . 2]" 1 1281 1 70 ILE HB 1 77 ALA HA 5.500 . 5.500 4.497 4.225 5.512 0.012 8 0 "[ . 1 . 2]" 1 1282 1 70 ILE HB 1 77 ALA MB 5.500 . 6.500 5.080 4.354 6.257 . 0 0 "[ . 1 . 2]" 1 1283 1 70 ILE HB 1 79 ALA MB 5.500 . 6.500 5.934 5.143 6.569 0.069 10 0 "[ . 1 . 2]" 1 1284 1 70 ILE MD 1 70 ILE MG 2.800 . 3.800 1.955 1.922 1.983 . 0 0 "[ . 1 . 2]" 1 1285 1 70 ILE MD 1 71 SER H 4.800 . 5.800 4.669 4.413 4.824 . 0 0 "[ . 1 . 2]" 1 1286 1 70 ILE MD 1 77 ALA H 5.500 . 6.500 4.520 3.611 5.966 . 0 0 "[ . 1 . 2]" 1 1287 1 70 ILE MD 1 77 ALA HA 3.300 . 4.300 2.227 1.878 3.911 . 0 0 "[ . 1 . 2]" 1 1288 1 70 ILE MD 1 79 ALA MB 3.400 . 4.400 2.941 1.931 3.571 . 0 0 "[ . 1 . 2]" 1 1289 1 70 ILE MD 1 80 ARG H 3.900 . 4.900 2.943 2.380 3.798 . 0 0 "[ . 1 . 2]" 1 1290 1 70 ILE MD 1 80 ARG QD 4.700 . 5.700 2.772 1.904 3.713 . 0 0 "[ . 1 . 2]" 1 1291 1 70 ILE HG12 1 75 LEU QB 5.300 . 6.300 3.003 2.556 4.023 . 0 0 "[ . 1 . 2]" 1 1292 1 70 ILE HG12 1 75 LEU HG 5.300 . 5.300 3.064 1.971 3.718 . 0 0 "[ . 1 . 2]" 1 1293 1 70 ILE HG12 1 77 ALA HA 3.700 . 3.700 2.910 2.187 3.712 0.012 8 0 "[ . 1 . 2]" 1 1294 1 70 ILE HG12 1 79 ALA MB 5.200 . 6.200 3.659 3.169 4.205 . 0 0 "[ . 1 . 2]" 1 1295 1 70 ILE HG13 1 75 LEU H 5.000 . 5.000 4.817 4.479 5.035 0.035 13 0 "[ . 1 . 2]" 1 1296 1 70 ILE HG13 1 75 LEU QB 5.300 . 6.300 2.961 2.546 4.813 . 0 0 "[ . 1 . 2]" 1 1297 1 70 ILE HG13 1 75 LEU QD 3.800 . 4.800 2.454 2.212 2.856 . 0 0 "[ . 1 . 2]" 1 1298 1 70 ILE HG13 1 77 ALA HA 5.500 . 5.500 4.350 3.761 5.429 . 0 0 "[ . 1 . 2]" 1 1299 1 70 ILE MG 1 71 SER H 3.800 . 4.800 3.446 3.275 3.593 . 0 0 "[ . 1 . 2]" 1 1300 1 70 ILE MG 1 71 SER HA 4.000 . 5.000 3.414 3.255 3.539 . 0 0 "[ . 1 . 2]" 1 1301 1 70 ILE MG 1 72 TRP H 5.500 . 6.500 4.954 4.830 5.095 . 0 0 "[ . 1 . 2]" 1 1302 1 70 ILE MG 1 73 GLY H 4.600 . 5.600 4.380 4.204 4.534 . 0 0 "[ . 1 . 2]" 1 1303 1 70 ILE MG 1 74 VAL H 5.400 . 6.400 5.390 4.914 5.767 . 0 0 "[ . 1 . 2]" 1 1304 1 70 ILE MG 1 75 LEU H 5.000 . 6.000 4.730 4.098 4.978 . 0 0 "[ . 1 . 2]" 1 1305 1 70 ILE MG 1 76 ASP HA 5.400 . 6.400 4.133 2.910 5.440 . 0 0 "[ . 1 . 2]" 1 1306 1 70 ILE MG 1 77 ALA HA 3.300 . 4.300 2.281 1.874 3.268 . 0 0 "[ . 1 . 2]" 1 1307 1 70 ILE MG 1 77 ALA MB 3.400 . 4.400 2.629 2.010 3.479 . 0 0 "[ . 1 . 2]" 1 1308 1 70 ILE MG 1 78 ASP H 5.500 . 6.500 4.996 4.609 5.574 . 0 0 "[ . 1 . 2]" 1 1309 1 70 ILE MG 1 80 ARG H 5.500 . 6.500 5.124 4.515 6.180 . 0 0 "[ . 1 . 2]" 1 1310 1 71 SER H 1 71 SER QB 3.100 . 4.100 2.443 2.215 2.659 . 0 0 "[ . 1 . 2]" 1 1311 1 71 SER H 1 72 TRP H 3.300 . 3.300 2.651 2.530 2.739 . 0 0 "[ . 1 . 2]" 1 1312 1 71 SER H 1 72 TRP HD1 5.500 . 5.500 5.307 4.930 5.515 0.015 12 0 "[ . 1 . 2]" 1 1313 1 71 SER H 1 73 GLY H 4.900 . 4.900 3.892 3.725 4.045 . 0 0 "[ . 1 . 2]" 1 1314 1 72 TRP H 1 72 TRP HB2 3.100 . 3.100 2.564 2.501 2.639 . 0 0 "[ . 1 . 2]" 1 1315 1 72 TRP H 1 72 TRP HB3 3.700 . 3.700 3.645 3.613 3.670 . 0 0 "[ . 1 . 2]" 1 1316 1 72 TRP H 1 72 TRP HD1 3.800 . 3.800 3.340 2.976 3.585 . 0 0 "[ . 1 . 2]" 1 1317 1 72 TRP H 1 72 TRP HE1 5.500 . 5.500 4.905 4.695 5.084 . 0 0 "[ . 1 . 2]" 1 1318 1 72 TRP H 1 73 GLY H 3.600 . 3.600 2.427 2.315 2.533 . 0 0 "[ . 1 . 2]" 1 1319 1 72 TRP H 1 74 VAL QG 5.300 . 6.300 3.979 3.559 4.246 . 0 0 "[ . 1 . 2]" 1 1320 1 72 TRP H 1 75 LEU H 5.500 . 5.500 4.884 4.679 5.281 . 0 0 "[ . 1 . 2]" 1 1321 1 72 TRP HA 1 72 TRP HD1 3.500 . 3.500 2.437 2.284 2.597 . 0 0 "[ . 1 . 2]" 1 1322 1 72 TRP HA 1 74 VAL H 5.500 . 5.500 4.605 4.401 4.948 . 0 0 "[ . 1 . 2]" 1 1323 1 72 TRP HA 1 74 VAL QG 4.900 . 5.900 4.107 3.802 4.492 . 0 0 "[ . 1 . 2]" 1 1324 1 72 TRP HB2 1 72 TRP HE3 3.700 . 3.700 2.514 2.384 2.611 . 0 0 "[ . 1 . 2]" 1 1325 1 72 TRP HB2 1 73 GLY H 4.100 . 4.100 3.184 3.033 3.384 . 0 0 "[ . 1 . 2]" 1 1326 1 72 TRP HB2 1 74 VAL H 4.000 . 4.000 2.808 2.480 3.268 . 0 0 "[ . 1 . 2]" 1 1327 1 72 TRP HB2 1 74 VAL MG1 4.700 . 5.700 3.943 1.926 4.641 . 0 0 "[ . 1 . 2]" 1 1328 1 72 TRP HB2 1 74 VAL QG 3.400 . 4.400 2.051 1.924 2.257 . 0 0 "[ . 1 . 2]" 1 1329 1 72 TRP HB2 1 74 VAL MG2 4.700 . 5.700 2.217 1.989 4.607 . 0 0 "[ . 1 . 2]" 1 1330 1 72 TRP HB3 1 73 GLY H 4.500 . 4.500 4.109 3.962 4.269 . 0 0 "[ . 1 . 2]" 1 1331 1 72 TRP HB3 1 74 VAL H 4.400 . 4.400 3.989 3.615 4.419 0.019 14 0 "[ . 1 . 2]" 1 1332 1 72 TRP HB3 1 74 VAL QG 3.800 . 4.800 2.519 2.245 3.160 . 0 0 "[ . 1 . 2]" 1 1333 1 72 TRP HD1 1 73 GLY H 5.500 . 5.500 5.096 4.851 5.243 . 0 0 "[ . 1 . 2]" 1 1334 1 72 TRP HE3 1 73 GLY H 5.500 . 5.500 5.522 5.413 5.584 0.084 14 0 "[ . 1 . 2]" 1 1335 1 72 TRP HE3 1 74 VAL H 5.500 . 5.500 4.488 4.147 5.129 . 0 0 "[ . 1 . 2]" 1 1336 1 72 TRP HE3 1 74 VAL QG 3.800 . 4.800 2.226 1.953 2.603 . 0 0 "[ . 1 . 2]" 1 1337 1 72 TRP HZ3 1 74 VAL QG 5.400 . 6.400 3.687 3.151 4.122 . 0 0 "[ . 1 . 2]" 1 1338 1 73 GLY H 1 74 VAL H 3.500 . 3.500 2.339 2.125 2.489 . 0 0 "[ . 1 . 2]" 1 1339 1 73 GLY H 1 74 VAL QG 4.300 . 5.300 3.663 3.376 3.906 . 0 0 "[ . 1 . 2]" 1 1340 1 73 GLY H 1 75 LEU H 4.500 . 4.500 3.728 3.441 4.049 . 0 0 "[ . 1 . 2]" 1 1341 1 74 VAL H 1 74 VAL HB 3.700 . 3.700 2.790 2.449 3.732 0.032 9 0 "[ . 1 . 2]" 1 1342 1 74 VAL H 1 74 VAL MG1 4.000 . 5.000 3.437 1.952 3.820 . 0 0 "[ . 1 . 2]" 1 1343 1 74 VAL H 1 74 VAL QG 3.200 . 4.200 2.255 1.912 2.479 . 0 0 "[ . 1 . 2]" 1 1344 1 74 VAL H 1 74 VAL MG2 4.000 . 5.000 2.386 2.031 3.813 . 0 0 "[ . 1 . 2]" 1 1345 1 74 VAL H 1 75 LEU H 3.300 . 3.300 2.208 2.007 2.378 . 0 0 "[ . 1 . 2]" 1 1346 1 74 VAL H 1 75 LEU HA 5.500 . 5.500 4.893 4.721 5.020 . 0 0 "[ . 1 . 2]" 1 1347 1 74 VAL H 1 75 LEU QB 5.300 . 6.300 4.184 3.982 5.098 . 0 0 "[ . 1 . 2]" 1 1348 1 74 VAL HA 1 74 VAL MG1 3.400 . 4.400 2.458 2.378 3.202 . 0 0 "[ . 1 . 2]" 1 1349 1 74 VAL HA 1 74 VAL QG 2.900 . 3.900 2.204 2.130 2.411 . 0 0 "[ . 1 . 2]" 1 1350 1 74 VAL HA 1 74 VAL MG2 3.400 . 4.400 2.579 2.346 3.230 . 0 0 "[ . 1 . 2]" 1 1351 1 74 VAL HB 1 75 LEU H 4.300 . 4.300 3.086 2.491 4.302 0.002 9 0 "[ . 1 . 2]" 1 1352 1 74 VAL QG 1 75 LEU H 3.700 . 4.700 3.100 2.382 3.453 . 0 0 "[ . 1 . 2]" 1 1353 1 74 VAL QG 1 75 LEU HA 5.300 . 6.300 3.692 3.320 4.049 . 0 0 "[ . 1 . 2]" 1 1354 1 74 VAL QG 1 75 LEU QB 5.300 . 6.300 3.205 2.513 3.642 . 0 0 "[ . 1 . 2]" 1 1355 1 74 VAL MG1 1 75 LEU H 4.600 . 5.600 3.610 2.418 4.157 . 0 0 "[ . 1 . 2]" 1 1356 1 74 VAL MG2 1 75 LEU H 4.600 . 5.600 3.576 2.476 3.903 . 0 0 "[ . 1 . 2]" 1 1357 1 75 LEU H 1 75 LEU HB2 4.000 . 4.000 2.994 2.796 3.900 . 0 0 "[ . 1 . 2]" 1 1358 1 75 LEU H 1 75 LEU QB 3.400 . 4.400 2.439 2.279 3.130 . 0 0 "[ . 1 . 2]" 1 1359 1 75 LEU H 1 75 LEU HB3 4.000 . 4.000 2.584 2.415 3.297 . 0 0 "[ . 1 . 2]" 1 1360 1 75 LEU H 1 75 LEU MD1 5.500 . 6.500 4.315 4.262 4.404 . 0 0 "[ . 1 . 2]" 1 1361 1 75 LEU H 1 75 LEU MD2 5.500 . 6.500 4.288 1.978 4.608 . 0 0 "[ . 1 . 2]" 1 1362 1 75 LEU H 1 76 ASP H 5.100 . 5.100 4.403 4.305 4.503 . 0 0 "[ . 1 . 2]" 1 1363 1 75 LEU HA 1 75 LEU MD1 3.900 . 4.900 2.232 2.098 4.060 . 0 0 "[ . 1 . 2]" 1 1364 1 75 LEU HA 1 75 LEU QD 3.300 . 4.300 2.188 2.090 3.353 . 0 0 "[ . 1 . 2]" 1 1365 1 75 LEU HA 1 75 LEU MD2 3.900 . 4.900 3.889 3.574 3.927 . 0 0 "[ . 1 . 2]" 1 1366 1 75 LEU HA 1 76 ASP H 3.000 . 3.000 2.271 2.144 2.448 . 0 0 "[ . 1 . 2]" 1 1367 1 75 LEU HA 1 76 ASP QB 4.600 . 5.600 4.116 4.017 4.648 . 0 0 "[ . 1 . 2]" 1 1368 1 75 LEU QB 1 76 ASP H 4.000 . 5.000 3.421 1.851 3.642 . 0 0 "[ . 1 . 2]" 1 1369 1 75 LEU QD 1 76 ASP H 3.400 . 4.400 2.239 1.976 3.278 . 0 0 "[ . 1 . 2]" 1 1370 1 75 LEU QD 1 76 ASP QB 3.900 . 4.900 3.494 3.140 4.075 . 0 0 "[ . 1 . 2]" 1 1371 1 75 LEU QD 1 78 ASP H 5.400 . 6.400 5.593 5.271 5.924 . 0 0 "[ . 1 . 2]" 1 1372 1 75 LEU QD 1 79 ALA H 5.100 . 6.100 4.177 3.858 4.494 . 0 0 "[ . 1 . 2]" 1 1373 1 75 LEU QD 1 79 ALA MB 3.400 . 4.400 2.108 1.845 2.325 . 0 0 "[ . 1 . 2]" 1 1374 1 75 LEU MD1 1 76 ASP H 4.400 . 5.400 2.254 1.981 3.411 . 0 0 "[ . 1 . 2]" 1 1375 1 75 LEU MD2 1 76 ASP H 4.400 . 5.400 4.114 3.861 4.411 . 0 0 "[ . 1 . 2]" 1 1376 1 75 LEU HG 1 76 ASP H 3.200 . 3.200 2.582 2.180 3.247 0.047 14 0 "[ . 1 . 2]" 1 1377 1 76 ASP H 1 76 ASP QB 3.300 . 4.300 2.286 2.188 2.506 . 0 0 "[ . 1 . 2]" 1 1378 1 76 ASP H 1 77 ALA H 4.800 . 4.800 4.565 4.424 4.615 . 0 0 "[ . 1 . 2]" 1 1379 1 76 ASP H 1 79 ALA MB 5.300 . 6.300 3.550 2.997 4.479 . 0 0 "[ . 1 . 2]" 1 1380 1 76 ASP HA 1 77 ALA H 3.000 . 3.000 2.254 2.121 2.617 . 0 0 "[ . 1 . 2]" 1 1381 1 76 ASP HA 1 77 ALA MB 4.100 . 5.100 4.010 3.906 4.164 . 0 0 "[ . 1 . 2]" 1 1382 1 76 ASP QB 1 77 ALA H 3.600 . 4.600 3.398 2.710 3.694 . 0 0 "[ . 1 . 2]" 1 1383 1 76 ASP QB 1 77 ALA MB 5.500 . 6.500 4.660 4.077 4.901 . 0 0 "[ . 1 . 2]" 1 1384 1 76 ASP QB 1 78 ASP H 3.200 . 4.200 3.396 2.138 3.930 . 0 0 "[ . 1 . 2]" 1 1385 1 76 ASP QB 1 78 ASP QB 4.200 . 5.200 3.779 2.258 4.324 . 0 0 "[ . 1 . 2]" 1 1386 1 76 ASP QB 1 79 ALA H 4.100 . 5.100 3.311 2.429 4.026 . 0 0 "[ . 1 . 2]" 1 1387 1 76 ASP QB 1 79 ALA MB 4.400 . 5.400 3.134 2.045 4.396 . 0 0 "[ . 1 . 2]" 1 1388 1 77 ALA H 1 77 ALA MB 2.900 . 3.900 2.227 2.183 2.259 . 0 0 "[ . 1 . 2]" 1 1389 1 77 ALA H 1 78 ASP H 3.800 . 3.800 2.702 2.347 2.871 . 0 0 "[ . 1 . 2]" 1 1390 1 77 ALA H 1 79 ALA H 5.400 . 5.400 4.248 3.822 4.470 . 0 0 "[ . 1 . 2]" 1 1391 1 77 ALA MB 1 78 ASP H 3.700 . 4.700 2.747 2.375 3.100 . 0 0 "[ . 1 . 2]" 1 1392 1 77 ALA MB 1 78 ASP QB 5.300 . 6.300 4.047 3.741 4.332 . 0 0 "[ . 1 . 2]" 1 1393 1 78 ASP H 1 78 ASP HB2 3.600 . 3.600 2.708 2.316 3.650 0.050 13 0 "[ . 1 . 2]" 1 1394 1 78 ASP H 1 78 ASP QB 3.200 . 4.200 2.317 2.196 2.519 . 0 0 "[ . 1 . 2]" 1 1395 1 78 ASP H 1 78 ASP HB3 3.600 . 3.600 2.755 2.292 3.613 0.013 7 0 "[ . 1 . 2]" 1 1396 1 78 ASP H 1 79 ALA H 3.700 . 3.700 2.596 2.229 2.968 . 0 0 "[ . 1 . 2]" 1 1397 1 78 ASP H 1 80 ARG H 5.500 . 5.500 4.427 4.154 4.803 . 0 0 "[ . 1 . 2]" 1 1398 1 78 ASP H 1 80 ARG HD2 5.500 . 5.500 5.455 5.053 5.596 0.096 18 0 "[ . 1 . 2]" 1 1399 1 78 ASP H 1 80 ARG HD3 5.500 . 5.500 5.490 5.073 5.654 0.154 10 0 "[ . 1 . 2]" 1 1400 1 78 ASP HA 1 80 ARG H 4.700 . 4.700 3.713 3.528 3.947 . 0 0 "[ . 1 . 2]" 1 1401 1 78 ASP HA 1 81 ARG H 5.000 . 5.000 3.831 3.213 4.364 . 0 0 "[ . 1 . 2]" 1 1402 1 78 ASP QB 1 79 ALA H 4.000 . 5.000 3.098 2.632 3.707 . 0 0 "[ . 1 . 2]" 1 1403 1 78 ASP QB 1 79 ALA MB 5.300 . 6.300 4.302 3.766 4.912 . 0 0 "[ . 1 . 2]" 1 1404 1 78 ASP HB2 1 79 ALA H 4.600 . 4.600 3.929 3.180 4.303 . 0 0 "[ . 1 . 2]" 1 1405 1 78 ASP HB3 1 79 ALA H 4.600 . 4.600 3.367 2.681 4.208 . 0 0 "[ . 1 . 2]" 1 1406 1 79 ALA H 1 79 ALA MB 3.000 . 4.000 2.226 2.190 2.257 . 0 0 "[ . 1 . 2]" 1 1407 1 79 ALA H 1 80 ARG H 3.600 . 3.600 2.729 2.527 3.027 . 0 0 "[ . 1 . 2]" 1 1408 1 79 ALA HA 1 82 ALA H 5.100 . 5.100 3.550 3.082 4.175 . 0 0 "[ . 1 . 2]" 1 1409 1 79 ALA MB 1 80 ARG H 3.800 . 4.800 2.831 2.593 2.957 . 0 0 "[ . 1 . 2]" 1 1410 1 79 ALA MB 1 81 ARG H 5.000 . 6.000 4.416 4.303 4.559 . 0 0 "[ . 1 . 2]" 1 1411 1 80 ARG H 1 80 ARG HB2 3.700 . 3.700 3.412 2.533 3.694 . 0 0 "[ . 1 . 2]" 1 1412 1 80 ARG H 1 80 ARG QB 2.900 . 3.900 2.497 2.393 2.822 . 0 0 "[ . 1 . 2]" 1 1413 1 80 ARG H 1 80 ARG HB3 3.700 . 3.700 2.756 2.425 3.678 . 0 0 "[ . 1 . 2]" 1 1414 1 80 ARG H 1 80 ARG HD2 5.500 . 5.500 3.571 2.054 4.273 . 0 0 "[ . 1 . 2]" 1 1415 1 80 ARG H 1 80 ARG HD3 5.500 . 5.500 3.810 2.239 4.451 . 0 0 "[ . 1 . 2]" 1 1416 1 80 ARG H 1 80 ARG QG 3.200 . 4.200 2.395 1.917 3.638 . 0 0 "[ . 1 . 2]" 1 1417 1 80 ARG QB 1 80 ARG QD 2.800 . 3.800 2.296 2.194 2.847 . 0 0 "[ . 1 . 2]" 1 1418 1 80 ARG QG 1 81 ARG H 4.200 . 5.200 2.946 2.186 4.670 . 0 0 "[ . 1 . 2]" 1 1419 1 81 ARG H 1 81 ARG QB 3.600 . 4.600 2.348 2.099 2.747 . 0 0 "[ . 1 . 2]" 1 1420 1 81 ARG H 1 81 ARG QD 5.300 . 6.300 4.087 2.945 4.845 . 0 0 "[ . 1 . 2]" 1 1421 1 81 ARG H 1 82 ALA H 4.000 . 4.000 2.498 2.208 2.734 . 0 0 "[ . 1 . 2]" 1 1422 1 81 ARG H 1 82 ALA MB 5.300 . 6.300 4.169 3.801 4.404 . 0 0 "[ . 1 . 2]" 1 1423 1 81 ARG HA 1 82 ALA H 3.600 . 3.600 3.438 3.358 3.520 . 0 0 "[ . 1 . 2]" 1 1424 1 81 ARG HA 1 84 ALA H 4.600 . 4.600 3.607 2.840 4.606 0.006 9 0 "[ . 1 . 2]" 1 1425 1 81 ARG HA 1 84 ALA MB 3.700 . 4.700 3.100 1.903 4.731 0.031 13 0 "[ . 1 . 2]" 1 1426 1 82 ALA H 1 82 ALA MB 3.100 . 4.100 2.242 2.165 2.291 . 0 0 "[ . 1 . 2]" 1 1427 1 82 ALA H 1 83 VAL H 3.600 . 3.600 2.514 2.165 2.864 . 0 0 "[ . 1 . 2]" 1 1428 1 82 ALA H 1 83 VAL QG 4.600 . 5.600 3.828 3.273 4.242 . 0 0 "[ . 1 . 2]" 1 1429 1 82 ALA MB 1 83 VAL H 3.800 . 4.800 2.654 2.268 3.058 . 0 0 "[ . 1 . 2]" 1 1430 1 82 ALA MB 1 83 VAL HA 5.500 . 6.500 3.959 3.803 4.343 . 0 0 "[ . 1 . 2]" 1 1431 1 82 ALA MB 1 83 VAL HB 5.500 . 6.500 4.456 3.342 5.165 . 0 0 "[ . 1 . 2]" 1 1432 1 82 ALA MB 1 83 VAL QG 3.800 . 4.800 2.960 2.604 3.900 . 0 0 "[ . 1 . 2]" 1 1433 1 83 VAL H 1 83 VAL HB 3.800 . 3.800 2.857 2.513 3.752 . 0 0 "[ . 1 . 2]" 1 1434 1 83 VAL H 1 83 VAL MG1 3.900 . 4.900 3.258 2.069 3.859 . 0 0 "[ . 1 . 2]" 1 1435 1 83 VAL H 1 83 VAL QG 3.200 . 4.200 2.216 1.947 2.591 . 0 0 "[ . 1 . 2]" 1 1436 1 83 VAL H 1 83 VAL MG2 3.900 . 4.900 2.647 1.991 3.992 . 0 0 "[ . 1 . 2]" 1 1437 1 83 VAL H 1 84 ALA H 3.800 . 3.800 2.514 1.955 3.675 . 0 0 "[ . 1 . 2]" 1 1438 1 83 VAL HA 1 83 VAL MG1 3.400 . 4.400 2.606 2.321 3.255 . 0 0 "[ . 1 . 2]" 1 1439 1 83 VAL HA 1 83 VAL QG 2.900 . 3.900 2.223 2.147 2.389 . 0 0 "[ . 1 . 2]" 1 1440 1 83 VAL HA 1 83 VAL MG2 3.400 . 4.400 2.551 2.349 3.229 . 0 0 "[ . 1 . 2]" 1 1441 1 83 VAL HA 1 84 ALA H 3.600 . 3.600 3.189 2.113 3.573 . 0 0 "[ . 1 . 2]" 1 1442 1 83 VAL HA 1 84 ALA MB 5.500 . 6.500 4.576 3.855 5.005 . 0 0 "[ . 1 . 2]" 1 1443 1 83 VAL HB 1 84 ALA H 4.400 . 4.400 3.464 2.304 4.432 0.032 18 0 "[ . 1 . 2]" 1 1444 1 83 VAL QG 1 84 ALA H 4.100 . 5.100 3.213 2.479 3.640 . 0 0 "[ . 1 . 2]" 1 1445 1 83 VAL MG1 1 84 ALA H 4.800 . 5.800 3.697 2.520 4.305 . 0 0 "[ . 1 . 2]" 1 1446 1 83 VAL MG2 1 84 ALA H 4.800 . 5.800 3.733 2.502 4.295 . 0 0 "[ . 1 . 2]" 1 1447 1 84 ALA H 1 84 ALA MB 3.400 . 4.400 2.449 2.215 2.920 . 0 0 "[ . 1 . 2]" 1 1448 1 88 GLU H 1 88 GLU QB 3.700 . 4.700 2.789 2.301 3.457 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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